NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
11207 | 1r4y | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 H1 ALA 1 0.580 0.615 -0.027 2 2H ALA 1 H2 ALA 1 1.957 0.222 0.794 3 3H ALA 1 H3 ALA 1 0.945 -0.952 0.188 4 HA ALA 1 HA ALA 1 3.124 0.221 -1.031 5 1HB ALA 1 1HB ALA 1 2.880 -1.538 -2.542 6 2HB ALA 1 2HB ALA 1 2.045 -2.175 -1.108 7 3HB ALA 1 3HB ALA 1 1.098 -1.510 -2.461 8 H VAL 2 H VAL 2 0.285 1.856 -0.723 9 HA VAL 2 HA VAL 2 -0.695 2.543 -3.134 10 HB VAL 2 HB VAL 2 -1.754 3.388 -1.250 11 1HG1 VAL 2 1HG1 VAL 2 0.973 4.104 -0.244 12 2HG1 VAL 2 2HG1 VAL 2 -0.445 4.995 0.359 13 3HG1 VAL 2 3HG1 VAL 2 -0.379 3.243 0.565 14 1HG2 VAL 2 1HG2 VAL 2 -1.714 5.065 -3.007 15 2HG2 VAL 2 2HG2 VAL 2 -1.754 5.845 -1.405 16 3HG2 VAL 2 3HG2 VAL 2 -0.249 5.810 -2.262 17 H THR 3 H THR 3 -0.312 4.544 -4.356 18 HA THR 3 HA THR 3 2.541 4.761 -5.014 19 HB THR 3 HB THR 3 0.022 5.752 -6.385 20 HG1 THR 3 HG1 THR 3 0.530 3.953 -7.677 21 1HG2 THR 3 1HG2 THR 3 2.204 7.012 -6.915 22 2HG2 THR 3 2HG2 THR 3 2.834 5.452 -7.502 23 3HG2 THR 3 3HG2 THR 3 1.410 6.193 -8.276 24 H TRP 4 H TRP 4 3.765 6.247 -3.994 25 HA TRP 4 HA TRP 4 2.493 8.525 -2.685 26 1HB TRP 4 1HB TRP 4 5.383 7.529 -2.824 27 2HB TRP 4 2HB TRP 4 4.793 8.893 -1.930 28 HD1 TRP 4 HD1 TRP 4 3.548 5.265 -2.067 29 HE1 TRP 4 HE1 TRP 4 3.198 4.457 0.327 30 HE3 TRP 4 HE3 TRP 4 5.054 9.375 0.396 31 HZ2 TRP 4 HZ2 TRP 4 3.609 5.395 2.985 32 HZ3 TRP 4 HZ3 TRP 4 5.052 9.463 2.877 33 HH2 TRP 4 HH2 TRP 4 4.362 7.473 4.179 34 H THR 5 H THR 5 2.714 10.620 -3.357 35 HA THR 5 HA THR 5 4.308 11.117 -5.863 36 HB THR 5 HB THR 5 1.353 11.239 -5.479 37 HG1 THR 5 HG1 THR 5 2.052 9.974 -7.045 38 1HG2 THR 5 1HG2 THR 5 1.033 13.093 -6.989 39 2HG2 THR 5 2HG2 THR 5 1.996 13.723 -5.671 40 3HG2 THR 5 3HG2 THR 5 2.792 13.292 -7.216 41 H CYS 6 H CYS 6 5.245 13.052 -5.993 42 HA CYS 6 HA CYS 6 4.803 14.931 -3.684 43 1HB CYS 6 1HB CYS 6 7.275 13.547 -4.559 44 2HB CYS 6 2HB CYS 6 7.445 15.249 -4.489 45 H GLY 7 H GLY 7 3.225 15.463 -5.587 46 1HA GLY 7 1HA GLY 7 2.657 16.800 -7.420 47 2HA GLY 7 2HA GLY 7 3.641 17.993 -6.525 48 H GLY 8 H GLY 8 3.745 15.462 -9.028 49 1HA GLY 8 1HA GLY 8 5.175 16.742 -10.956 50 2HA GLY 8 2HA GLY 8 6.468 16.176 -9.859 51 H LEU 9 H LEU 9 6.395 13.821 -9.268 52 HA LEU 9 HA LEU 9 5.257 12.135 -11.449 53 1HB LEU 9 1HB LEU 9 8.106 12.223 -10.377 54 2HB LEU 9 2HB LEU 9 7.456 10.802 -11.161 55 HG LEU 9 HG LEU 9 7.065 13.331 -12.709 56 1HD1 LEU 9 1HD1 LEU 9 9.339 13.486 -13.478 57 2HD1 LEU 9 2HD1 LEU 9 9.337 13.625 -11.721 58 3HD1 LEU 9 3HD1 LEU 9 9.843 12.102 -12.478 59 1HD2 LEU 9 1HD2 LEU 9 7.073 11.926 -14.499 60 2HD2 LEU 9 2HD2 LEU 9 8.368 10.895 -13.871 61 3HD2 LEU 9 3HD2 LEU 9 6.704 10.697 -13.296 62 H LEU 10 H LEU 10 5.133 9.890 -10.873 63 HA LEU 10 HA LEU 10 4.141 9.647 -8.128 64 1HB LEU 10 1HB LEU 10 4.023 7.453 -10.192 65 2HB LEU 10 2HB LEU 10 2.961 7.793 -8.852 66 HG LEU 10 HG LEU 10 1.641 8.319 -10.667 67 1HD1 LEU 10 1HD1 LEU 10 1.266 10.106 -9.224 68 2HD1 LEU 10 2HD1 LEU 10 2.790 10.903 -9.553 69 3HD1 LEU 10 3HD1 LEU 10 1.594 10.945 -10.765 70 1HD2 LEU 10 1HD2 LEU 10 2.322 9.074 -12.695 71 2HD2 LEU 10 2HD2 LEU 10 3.554 10.165 -12.051 72 3HD2 LEU 10 3HD2 LEU 10 3.867 8.422 -12.166 73 H TYR 11 H TYR 11 4.614 7.674 -6.888 74 HA TYR 11 HA TYR 11 7.242 6.458 -7.354 75 1HB TYR 11 1HB TYR 11 6.506 8.196 -4.950 76 2HB TYR 11 2HB TYR 11 7.895 7.182 -5.061 77 HD1 TYR 11 HD1 TYR 11 6.569 10.445 -5.631 78 HD2 TYR 11 HD2 TYR 11 9.465 7.627 -7.126 79 HE1 TYR 11 HE1 TYR 11 7.814 12.294 -6.776 80 HE2 TYR 11 HE2 TYR 11 10.732 9.499 -8.202 81 HH TYR 11 HH TYR 11 10.799 11.649 -8.641 82 H ASN 12 H ASN 12 6.188 4.478 -7.514 83 HA ASN 12 HA ASN 12 4.170 3.553 -5.717 84 1HB ASN 12 1HB ASN 12 4.606 2.291 -7.756 85 2HB ASN 12 2HB ASN 12 6.305 2.077 -7.323 86 1HD2 ASN 12 1HD2 ASN 12 3.615 1.776 -5.048 87 2HD2 ASN 12 2HD2 ASN 12 3.785 0.090 -4.752 88 H GLN 13 H GLN 13 4.292 3.290 -3.529 89 HA GLN 13 HA GLN 13 6.537 3.569 -1.963 90 1HB GLN 13 1HB GLN 13 4.440 3.394 -0.989 91 2HB GLN 13 2HB GLN 13 4.067 1.860 -1.635 92 1HG GLN 13 1HG GLN 13 5.089 0.704 0.062 93 2HG GLN 13 2HG GLN 13 6.525 1.743 0.076 94 1HE2 GLN 13 1HE2 GLN 13 5.649 4.143 0.535 95 2HE2 GLN 13 2HE2 GLN 13 5.085 4.256 2.152 96 H ASN 14 H ASN 14 5.538 0.626 -3.698 97 HA ASN 14 HA ASN 14 7.368 -1.172 -2.436 98 1HB ASN 14 1HB ASN 14 5.423 -1.355 -4.444 99 2HB ASN 14 2HB ASN 14 6.960 -1.644 -5.316 100 1HD2 ASN 14 1HD2 ASN 14 4.693 -3.343 -4.754 101 2HD2 ASN 14 2HD2 ASN 14 5.425 -4.714 -3.886 102 H LYS 15 H LYS 15 7.644 1.001 -5.288 103 HA LYS 15 HA LYS 15 10.415 0.200 -5.810 104 1HB LYS 15 1HB LYS 15 8.331 1.721 -7.130 105 2HB LYS 15 2HB LYS 15 9.788 2.693 -7.112 106 1HG LYS 15 1HG LYS 15 10.972 1.178 -8.388 107 2HG LYS 15 2HG LYS 15 10.083 -0.234 -7.838 108 1HD LYS 15 1HD LYS 15 8.009 0.939 -9.113 109 2HD LYS 15 2HD LYS 15 9.304 1.689 -9.995 110 1HE LYS 15 1HE LYS 15 10.258 -0.726 -10.290 111 2HE LYS 15 2HE LYS 15 8.722 -1.305 -9.617 112 1HZ LYS 15 1HZ LYS 15 8.628 0.612 -11.848 113 2HZ LYS 15 2HZ LYS 15 9.061 -0.910 -12.211 114 3HZ LYS 15 3HZ LYS 15 7.595 -0.621 -11.511 115 H ALA 16 H ALA 16 8.720 2.899 -4.190 116 HA ALA 16 HA ALA 16 10.934 4.510 -3.692 117 1HB ALA 16 1HB ALA 16 8.598 3.970 -1.905 118 2HB ALA 16 2HB ALA 16 9.639 5.414 -1.876 119 3HB ALA 16 3HB ALA 16 8.557 5.111 -3.262 120 H GLU 17 H GLU 17 9.812 1.607 -1.999 121 HA GLU 17 HA GLU 17 12.089 1.803 -0.138 122 1HB GLU 17 1HB GLU 17 11.075 0.057 1.058 123 2HB GLU 17 2HB GLU 17 9.737 1.102 0.520 124 1HG GLU 17 1HG GLU 17 9.377 -0.469 -1.365 125 2HG GLU 17 2HG GLU 17 10.601 -1.557 -0.708 126 H SER 18 H SER 18 10.903 -0.374 -2.692 127 HA SER 18 HA SER 18 12.929 -2.282 -2.589 128 1HB SER 18 1HB SER 18 10.875 -2.688 -3.863 129 2HB SER 18 2HB SER 18 11.357 -1.430 -5.030 130 HG SER 18 HG SER 18 11.952 -3.957 -5.013 131 H ASN 19 H ASN 19 12.560 0.508 -4.854 132 HA ASN 19 HA ASN 19 14.947 0.379 -6.215 133 1HB ASN 19 1HB ASN 19 13.072 2.103 -6.522 134 2HB ASN 19 2HB ASN 19 13.881 2.958 -5.174 135 1HD2 ASN 19 1HD2 ASN 19 14.641 1.263 -8.199 136 2HD2 ASN 19 2HD2 ASN 19 15.754 2.524 -8.781 137 H SER 20 H SER 20 14.362 1.266 -2.901 138 HA SER 20 HA SER 20 17.095 2.253 -2.503 139 1HB SER 20 1HB SER 20 16.184 3.373 -0.815 140 2HB SER 20 2HB SER 20 14.598 2.714 -1.271 141 HG SER 20 HG SER 20 14.939 1.010 0.087 142 H HIS 21 H HIS 21 15.089 -0.566 -1.763 143 HA HIS 21 HA HIS 21 16.534 -1.922 0.170 144 1HB HIS 21 1HB HIS 21 14.984 -2.954 -2.255 145 2HB HIS 21 2HB HIS 21 15.839 -4.033 -1.255 146 HD1 HIS 21 HD1 HIS 21 13.467 -5.103 -0.661 147 HD2 HIS 21 HD2 HIS 21 14.141 -1.144 0.649 148 HE1 HIS 21 HE1 HIS 21 11.612 -4.558 1.084 149 HE2 HIS 21 HE2 HIS 21 12.030 -2.148 1.857 150 H HIS 22 H HIS 22 17.393 -1.449 -3.266 151 HA HIS 22 HA HIS 22 19.629 -3.204 -3.148 152 1HB HIS 22 1HB HIS 22 19.539 -1.122 -5.232 153 2HB HIS 22 2HB HIS 22 19.744 -2.846 -5.370 154 HD1 HIS 22 HD1 HIS 22 17.886 -0.751 -6.990 155 HD2 HIS 22 HD2 HIS 22 16.771 -3.686 -4.209 156 HE1 HIS 22 HE1 HIS 22 15.359 -1.316 -7.468 157 HE2 HIS 22 HE2 HIS 22 14.687 -3.118 -5.717 158 H ALA 23 H ALA 23 19.118 0.349 -3.030 159 HA ALA 23 HA ALA 23 21.544 1.358 -3.059 160 1HB ALA 23 1HB ALA 23 20.738 3.178 -1.946 161 2HB ALA 23 2HB ALA 23 19.264 2.463 -2.592 162 3HB ALA 23 3HB ALA 23 19.680 2.254 -0.874 163 HA PRO 24 HA PRO 24 23.600 -0.739 0.266 164 1HB PRO 24 1HB PRO 24 25.946 0.812 0.301 165 2HB PRO 24 2HB PRO 24 25.593 -0.564 -0.810 166 1HG PRO 24 1HG PRO 24 25.601 2.277 -1.279 167 2HG PRO 24 2HG PRO 24 25.754 0.979 -2.519 168 1HD PRO 24 1HD PRO 24 23.436 2.594 -1.970 169 2HD PRO 24 2HD PRO 24 23.569 1.145 -2.997 170 H LEU 25 H LEU 25 23.130 -0.542 2.335 171 HA LEU 25 HA LEU 25 22.255 1.859 3.491 172 1HB LEU 25 1HB LEU 25 22.182 -0.869 4.153 173 2HB LEU 25 2HB LEU 25 23.252 -0.204 5.377 174 HG LEU 25 HG LEU 25 21.585 1.242 6.229 175 1HD1 LEU 25 1HD1 LEU 25 19.246 1.225 5.114 176 2HD1 LEU 25 2HD1 LEU 25 20.481 2.258 4.517 177 3HD1 LEU 25 3HD1 LEU 25 20.171 0.758 3.631 178 1HD2 LEU 25 1HD2 LEU 25 21.256 -0.937 7.077 179 2HD2 LEU 25 2HD2 LEU 25 19.670 -0.373 6.651 180 3HD2 LEU 25 3HD2 LEU 25 20.521 -1.515 5.571 181 H SER 26 H SER 26 23.471 3.580 3.604 182 HA SER 26 HA SER 26 25.576 3.762 5.500 183 1HB SER 26 1HB SER 26 26.324 3.109 2.687 184 2HB SER 26 2HB SER 26 27.221 4.417 3.486 185 HG SER 26 HG SER 26 26.842 2.072 4.902 186 H ASP 27 H ASP 27 26.490 5.949 5.561 187 HA ASP 27 HA ASP 27 24.567 7.947 4.518 188 1HB ASP 27 1HB ASP 27 25.123 8.336 6.786 189 2HB ASP 27 2HB ASP 27 26.791 7.868 6.448 190 H GLY 28 H GLY 28 25.067 7.801 2.259 191 1HA GLY 28 1HA GLY 28 26.160 8.560 0.350 192 2HA GLY 28 2HA GLY 28 26.989 9.735 1.401 193 H LYS 29 H LYS 29 27.005 6.498 0.013 194 HA LYS 29 HA LYS 29 29.918 6.524 -0.090 195 1HB LYS 29 1HB LYS 29 28.453 4.919 1.955 196 2HB LYS 29 2HB LYS 29 29.641 4.008 1.056 197 1HG LYS 29 1HG LYS 29 31.166 6.174 1.556 198 2HG LYS 29 2HG LYS 29 30.061 6.315 2.934 199 1HD LYS 29 1HD LYS 29 30.742 4.291 3.850 200 2HD LYS 29 2HD LYS 29 31.321 3.625 2.313 201 1HE LYS 29 1HE LYS 29 33.371 4.445 2.508 202 2HE LYS 29 2HE LYS 29 32.794 6.062 2.950 203 1HZ LYS 29 1HZ LYS 29 32.689 3.875 4.921 204 2HZ LYS 29 2HZ LYS 29 34.081 4.735 4.717 205 3HZ LYS 29 3HZ LYS 29 32.699 5.481 5.198 206 H THR 30 H THR 30 28.151 6.739 -2.081 207 HA THR 30 HA THR 30 28.413 4.067 -3.453 208 HB THR 30 HB THR 30 26.300 4.626 -4.553 209 HG1 THR 30 HG1 THR 30 26.866 6.967 -4.168 210 1HG2 THR 30 1HG2 THR 30 26.508 4.065 -1.772 211 2HG2 THR 30 2HG2 THR 30 25.222 5.214 -1.956 212 3HG2 THR 30 3HG2 THR 30 25.179 3.733 -2.911 213 H GLY 31 H GLY 31 28.874 4.139 -5.656 214 1HA GLY 31 1HA GLY 31 30.902 5.719 -6.549 215 2HA GLY 31 2HA GLY 31 29.672 5.097 -7.643 216 H SER 32 H SER 32 27.418 6.434 -7.105 217 HA SER 32 HA SER 32 28.006 9.065 -8.241 218 1HB SER 32 1HB SER 32 26.018 8.285 -9.112 219 2HB SER 32 2HB SER 32 25.553 7.473 -7.629 220 HG SER 32 HG SER 32 25.024 9.438 -6.676 221 H SER 33 H SER 33 25.978 8.236 -5.393 222 HA SER 33 HA SER 33 27.385 9.694 -3.500 223 1HB SER 33 1HB SER 33 26.101 11.790 -3.305 224 2HB SER 33 2HB SER 33 26.919 11.740 -4.847 225 HG SER 33 HG SER 33 24.447 12.185 -4.546 226 H TYR 34 H TYR 34 23.976 9.692 -4.513 227 HA TYR 34 HA TYR 34 22.903 9.277 -2.090 228 1HB TYR 34 1HB TYR 34 21.895 8.470 -4.807 229 2HB TYR 34 2HB TYR 34 20.936 8.458 -3.351 230 HD1 TYR 34 HD1 TYR 34 22.508 10.527 -5.938 231 HD2 TYR 34 HD2 TYR 34 20.311 10.629 -2.218 232 HE1 TYR 34 HE1 TYR 34 22.001 12.960 -6.304 233 HE2 TYR 34 HE2 TYR 34 19.868 13.067 -2.634 234 HH TYR 34 HH TYR 34 20.967 14.979 -3.898 235 HA PRO 35 HA PRO 35 21.142 8.226 -1.206 236 1HB PRO 35 1HB PRO 35 20.949 6.978 1.054 237 2HB PRO 35 2HB PRO 35 19.947 6.585 -0.247 238 1HG PRO 35 1HG PRO 35 22.119 4.946 0.891 239 2HG PRO 35 2HG PRO 35 20.760 4.493 -0.191 240 1HD PRO 35 1HD PRO 35 23.509 5.003 -0.840 241 2HD PRO 35 2HD PRO 35 22.205 4.657 -2.014 242 H HIS 36 H HIS 36 21.230 9.074 1.288 243 HA HIS 36 HA HIS 36 23.900 9.441 2.274 244 1HB HIS 36 1HB HIS 36 23.986 11.882 1.963 245 2HB HIS 36 2HB HIS 36 24.148 10.969 0.457 246 HD1 HIS 36 HD1 HIS 36 23.112 14.014 0.887 247 HD2 HIS 36 HD2 HIS 36 20.768 10.628 0.072 248 HE1 HIS 36 HE1 HIS 36 20.899 14.837 -0.239 249 HE2 HIS 36 HE2 HIS 36 19.562 12.653 -0.683 250 H TRP 37 H TRP 37 23.961 10.993 4.180 251 HA TRP 37 HA TRP 37 21.662 10.276 5.834 252 1HB TRP 37 1HB TRP 37 23.772 10.396 6.886 253 2HB TRP 37 2HB TRP 37 24.081 12.014 6.225 254 HD1 TRP 37 HD1 TRP 37 21.309 10.698 8.543 255 HE1 TRP 37 HE1 TRP 37 21.005 12.383 10.428 256 HE3 TRP 37 HE3 TRP 37 24.841 13.997 7.117 257 HZ2 TRP 37 HZ2 TRP 37 22.161 14.859 11.233 258 HZ3 TRP 37 HZ3 TRP 37 25.275 16.061 8.461 259 HH2 TRP 37 HH2 TRP 37 23.899 16.450 10.462 260 H PHE 38 H PHE 38 19.991 11.551 6.399 261 HA PHE 38 HA PHE 38 19.570 14.142 5.074 262 1HB PHE 38 1HB PHE 38 18.067 12.363 4.281 263 2HB PHE 38 2HB PHE 38 17.725 11.849 5.888 264 HD1 PHE 38 HD1 PHE 38 17.838 15.342 4.460 265 HD2 PHE 38 HD2 PHE 38 15.462 12.214 6.265 266 HE1 PHE 38 HE1 PHE 38 15.884 16.912 4.597 267 HE2 PHE 38 HE2 PHE 38 13.518 13.732 6.299 268 HZ PHE 38 HZ PHE 38 13.723 16.082 5.534 269 H THR 39 H THR 39 20.689 15.085 6.904 270 HA THR 39 HA THR 39 20.287 15.025 9.557 271 HB THR 39 HB THR 39 20.568 17.448 9.546 272 HG1 THR 39 HG1 THR 39 19.812 17.101 6.884 273 1HG2 THR 39 1HG2 THR 39 22.059 17.141 7.012 274 2HG2 THR 39 2HG2 THR 39 22.638 17.364 8.660 275 3HG2 THR 39 3HG2 THR 39 22.181 15.754 8.011 276 H ASN 40 H ASN 40 17.842 16.168 7.266 277 HA ASN 40 HA ASN 40 15.611 16.354 7.443 278 1HB ASN 40 1HB ASN 40 15.879 14.203 8.903 279 2HB ASN 40 2HB ASN 40 15.750 15.326 10.272 280 1HD2 ASN 40 1HD2 ASN 40 13.910 15.123 11.170 281 2HD2 ASN 40 2HD2 ASN 40 12.353 15.125 10.301 282 H GLY 41 H GLY 41 17.838 18.069 8.949 283 1HA GLY 41 1HA GLY 41 17.258 20.465 9.203 284 2HA GLY 41 2HA GLY 41 15.964 19.876 10.244 285 H TYR 42 H TYR 42 18.269 17.715 10.943 286 HA TYR 42 HA TYR 42 19.070 19.013 13.402 287 1HB TYR 42 1HB TYR 42 19.604 16.325 12.069 288 2HB TYR 42 2HB TYR 42 20.267 16.727 13.613 289 HD1 TYR 42 HD1 TYR 42 19.137 15.967 15.460 290 HD2 TYR 42 HD2 TYR 42 16.807 16.770 11.943 291 HE1 TYR 42 HE1 TYR 42 17.065 15.247 16.604 292 HE2 TYR 42 HE2 TYR 42 14.809 15.893 13.068 293 HH TYR 42 HH TYR 42 14.852 14.778 16.418 294 H ASP 43 H ASP 43 21.414 18.680 14.085 295 HA ASP 43 HA ASP 43 23.145 19.955 12.016 296 1HB ASP 43 1HB ASP 43 22.961 19.886 14.967 297 2HB ASP 43 2HB ASP 43 24.585 19.503 14.418 298 H GLY 44 H GLY 44 22.937 17.049 14.035 299 1HA GLY 44 1HA GLY 44 24.202 15.277 12.283 300 2HA GLY 44 2HA GLY 44 25.457 15.912 13.333 301 H ASP 45 H ASP 45 23.951 16.154 15.705 302 HA ASP 45 HA ASP 45 22.990 13.371 16.267 303 1HB ASP 45 1HB ASP 45 25.390 14.756 17.287 304 2HB ASP 45 2HB ASP 45 24.269 14.439 18.582 305 H GLY 46 H GLY 46 23.472 16.537 17.877 306 1HA GLY 46 1HA GLY 46 21.250 16.349 19.598 307 2HA GLY 46 2HA GLY 46 22.036 17.886 19.087 308 H LYS 47 H LYS 47 19.272 17.512 19.541 309 HA LYS 47 HA LYS 47 17.774 17.133 17.181 310 1HB LYS 47 1HB LYS 47 15.985 18.377 18.307 311 2HB LYS 47 2HB LYS 47 16.636 17.062 19.286 312 1HG LYS 47 1HG LYS 47 17.756 18.473 20.769 313 2HG LYS 47 2HG LYS 47 17.902 19.793 19.614 314 1HD LYS 47 1HD LYS 47 16.118 20.790 20.479 315 2HD LYS 47 2HD LYS 47 15.092 19.479 19.932 316 1HE LYS 47 1HE LYS 47 14.650 18.937 22.059 317 2HE LYS 47 2HE LYS 47 16.327 18.394 22.208 318 1HZ LYS 47 1HZ LYS 47 16.280 20.001 23.820 319 2HZ LYS 47 2HZ LYS 47 16.698 20.961 22.552 320 3HZ LYS 47 3HZ LYS 47 15.137 20.917 23.064 321 H LEU 48 H LEU 48 16.315 19.046 16.337 322 HA LEU 48 HA LEU 48 18.070 20.544 14.733 323 1HB LEU 48 1HB LEU 48 15.104 20.943 15.386 324 2HB LEU 48 2HB LEU 48 15.994 21.891 14.201 325 HG LEU 48 HG LEU 48 16.631 19.475 13.262 326 1HD1 LEU 48 1HD1 LEU 48 14.652 18.090 13.367 327 2HD1 LEU 48 2HD1 LEU 48 15.628 18.136 14.824 328 3HD1 LEU 48 3HD1 LEU 48 14.106 19.018 14.785 329 1HD2 LEU 48 1HD2 LEU 48 14.101 21.071 12.777 330 2HD2 LEU 48 2HD2 LEU 48 15.633 21.029 11.933 331 3HD2 LEU 48 3HD2 LEU 48 14.567 19.661 11.775 332 HA PRO 49 HA PRO 49 19.143 23.908 17.307 333 1HB PRO 49 1HB PRO 49 19.597 25.906 15.368 334 2HB PRO 49 2HB PRO 49 20.725 24.580 15.809 335 1HG PRO 49 1HG PRO 49 19.052 24.880 13.365 336 2HG PRO 49 2HG PRO 49 20.526 23.871 13.636 337 1HD PRO 49 1HD PRO 49 17.789 23.008 13.631 338 2HD PRO 49 2HD PRO 49 19.239 22.054 13.994 339 H LYS 50 H LYS 50 18.493 26.002 18.051 340 HA LYS 50 HA LYS 50 15.692 26.337 18.216 341 1HB LYS 50 1HB LYS 50 16.727 27.234 19.990 342 2HB LYS 50 2HB LYS 50 18.074 27.915 19.072 343 1HG LYS 50 1HG LYS 50 16.895 29.832 18.432 344 2HG LYS 50 2HG LYS 50 15.313 29.068 18.635 345 1HD LYS 50 1HD LYS 50 15.160 30.187 20.502 346 2HD LYS 50 2HD LYS 50 16.282 29.007 21.210 347 1HE LYS 50 1HE LYS 50 18.173 30.389 20.901 348 2HE LYS 50 2HE LYS 50 17.364 31.413 19.698 349 1HZ LYS 50 1HZ LYS 50 16.362 31.276 22.465 350 2HZ LYS 50 2HZ LYS 50 17.555 32.336 22.049 351 3HZ LYS 50 3HZ LYS 50 16.076 32.428 21.331 352 H GLY 51 H GLY 51 14.780 26.342 16.220 353 1HA GLY 51 1HA GLY 51 13.601 28.154 14.861 354 2HA GLY 51 2HA GLY 51 15.254 28.760 14.505 355 H ARG 52 H ARG 52 13.114 25.921 14.134 356 HA ARG 52 HA ARG 52 13.703 25.602 11.422 357 1HB ARG 52 1HB ARG 52 15.970 24.769 12.449 358 2HB ARG 52 2HB ARG 52 15.048 23.468 13.149 359 1HG ARG 52 1HG ARG 52 14.570 22.587 10.968 360 2HG ARG 52 2HG ARG 52 14.855 24.098 10.163 361 1HD ARG 52 1HD ARG 52 17.203 23.063 11.664 362 2HD ARG 52 2HD ARG 52 16.657 22.090 10.313 363 HE ARG 52 HE ARG 52 16.700 24.530 9.209 364 1HH1 ARG 52 2HH2 ARG 52 19.086 22.656 10.914 365 2HH1 ARG 52 1HH2 ARG 52 20.440 23.365 10.117 366 1HH2 ARG 52 2HH1 ARG 52 18.430 25.447 8.151 367 2HH2 ARG 52 1HH1 ARG 52 20.055 24.962 8.538 368 H THR 53 H THR 53 12.716 23.601 10.532 369 HA THR 53 HA THR 53 10.971 22.214 12.386 370 HB THR 53 HB THR 53 10.079 24.127 10.286 371 HG1 THR 53 HG1 THR 53 9.998 24.384 12.615 372 1HG2 THR 53 1HG2 THR 53 9.044 22.029 9.452 373 2HG2 THR 53 2HG2 THR 53 8.494 21.666 11.107 374 3HG2 THR 53 3HG2 THR 53 7.850 23.074 10.211 375 HA PRO 54 HA PRO 54 12.575 19.143 9.586 376 1HB PRO 54 1HB PRO 54 11.865 16.958 11.226 377 2HB PRO 54 2HB PRO 54 13.369 17.898 11.369 378 1HG PRO 54 1HG PRO 54 10.980 17.893 13.115 379 2HG PRO 54 2HG PRO 54 12.596 18.440 13.456 380 1HD PRO 54 1HD PRO 54 10.398 20.067 12.840 381 2HD PRO 54 2HD PRO 54 12.081 20.582 13.078 382 H ILE 55 H ILE 55 11.597 16.902 8.864 383 HA ILE 55 HA ILE 55 8.882 17.570 7.860 384 HB ILE 55 HB ILE 55 10.761 15.312 7.071 385 1HG1 ILE 55 1HG1 ILE 55 10.493 18.206 6.142 386 2HG1 ILE 55 2HG1 ILE 55 11.941 17.255 6.508 387 1HG2 ILE 55 1HG2 ILE 55 8.385 14.919 6.594 388 2HG2 ILE 55 2HG2 ILE 55 8.265 16.517 5.772 389 3HG2 ILE 55 3HG2 ILE 55 9.247 15.217 5.123 390 1HD1 ILE 55 1HD1 ILE 55 11.942 17.381 4.145 391 2HD1 ILE 55 2HD1 ILE 55 11.264 15.793 4.488 392 3HD1 ILE 55 3HD1 ILE 55 10.183 17.135 4.064 393 H LYS 56 H LYS 56 7.162 16.856 8.864 394 HA LYS 56 HA LYS 56 7.436 14.706 10.892 395 1HB LYS 56 1HB LYS 56 6.134 16.673 11.438 396 2HB LYS 56 2HB LYS 56 5.109 16.505 10.027 397 1HG LYS 56 1HG LYS 56 3.689 15.332 11.333 398 2HG LYS 56 2HG LYS 56 4.769 13.989 11.232 399 1HD LYS 56 1HD LYS 56 5.245 14.024 13.405 400 2HD LYS 56 2HD LYS 56 5.848 15.666 13.310 401 1HE LYS 56 1HE LYS 56 4.060 15.788 14.852 402 2HE LYS 56 2HE LYS 56 3.445 16.492 13.342 403 1HZ LYS 56 1HZ LYS 56 2.860 13.838 14.485 404 2HZ LYS 56 2HZ LYS 56 1.789 15.000 14.018 405 3HZ LYS 56 3HZ LYS 56 2.608 14.137 12.883 406 H PHE 57 H PHE 57 6.945 12.701 10.579 407 HA PHE 57 HA PHE 57 5.601 11.829 8.039 408 1HB PHE 57 1HB PHE 57 7.357 10.202 9.862 409 2HB PHE 57 2HB PHE 57 6.946 9.880 8.179 410 HD1 PHE 57 HD1 PHE 57 9.115 11.793 10.532 411 HD2 PHE 57 HD2 PHE 57 8.190 10.996 6.450 412 HE1 PHE 57 HE1 PHE 57 11.227 12.893 9.824 413 HE2 PHE 57 HE2 PHE 57 10.338 12.175 5.729 414 HZ PHE 57 HZ PHE 57 11.779 13.134 7.433 415 H GLY 58 H GLY 58 5.923 11.079 11.502 416 1HA GLY 58 1HA GLY 58 3.693 10.797 12.673 417 2HA GLY 58 2HA GLY 58 3.314 9.623 11.387 418 H LYS 59 H LYS 59 6.606 9.246 11.861 419 HA LYS 59 HA LYS 59 6.164 7.069 13.818 420 1HB LYS 59 1HB LYS 59 8.036 7.520 11.483 421 2HB LYS 59 2HB LYS 59 8.455 6.345 12.740 422 1HG LYS 59 1HG LYS 59 6.704 4.906 12.223 423 2HG LYS 59 2HG LYS 59 5.666 6.190 11.588 424 1HD LYS 59 1HD LYS 59 7.456 6.359 9.664 425 2HD LYS 59 2HD LYS 59 7.954 4.777 10.234 426 1HE LYS 59 1HE LYS 59 5.082 4.764 10.037 427 2HE LYS 59 2HE LYS 59 5.681 5.620 8.602 428 1HZ LYS 59 1HZ LYS 59 5.863 3.480 7.879 429 2HZ LYS 59 2HZ LYS 59 7.323 3.608 8.563 430 3HZ LYS 59 3HZ LYS 59 6.110 2.833 9.389 431 H SER 60 H SER 60 7.347 6.856 15.557 432 HA SER 60 HA SER 60 8.592 9.334 16.536 433 1HB SER 60 1HB SER 60 7.121 8.078 18.024 434 2HB SER 60 2HB SER 60 8.141 6.622 17.851 435 HG SER 60 HG SER 60 9.000 7.463 19.610 436 H ASP 61 H ASP 61 9.634 6.876 14.579 437 HA ASP 61 HA ASP 61 12.285 6.473 15.772 438 1HB ASP 61 1HB ASP 61 11.041 5.572 13.141 439 2HB ASP 61 2HB ASP 61 12.672 5.162 13.682 440 H CYS 62 H CYS 62 10.803 7.871 12.798 441 HA CYS 62 HA CYS 62 13.327 8.970 11.918 442 1HB CYS 62 1HB CYS 62 10.655 9.993 10.965 443 2HB CYS 62 2HB CYS 62 12.124 9.769 10.049 444 H ASP 63 H ASP 63 10.488 10.070 13.782 445 HA ASP 63 HA ASP 63 11.123 12.873 13.815 446 1HB ASP 63 1HB ASP 63 8.919 11.962 14.502 447 2HB ASP 63 2HB ASP 63 9.702 11.078 15.834 448 H ARG 64 H ARG 64 12.103 10.061 15.801 449 HA ARG 64 HA ARG 64 13.270 11.413 17.887 450 1HB ARG 64 1HB ARG 64 13.854 9.424 18.469 451 2HB ARG 64 2HB ARG 64 13.153 8.812 16.987 452 1HG ARG 64 1HG ARG 64 15.322 8.992 15.816 453 2HG ARG 64 2HG ARG 64 16.055 9.366 17.360 454 1HD ARG 64 1HD ARG 64 15.900 6.913 16.370 455 2HD ARG 64 2HD ARG 64 16.251 7.382 18.048 456 HE ARG 64 HE ARG 64 13.723 6.284 17.000 457 1HH1 ARG 64 2HH2 ARG 64 15.215 7.937 19.634 458 2HH1 ARG 64 1HH2 ARG 64 13.990 7.532 20.798 459 1HH2 ARG 64 2HH1 ARG 64 12.147 5.768 18.460 460 2HH2 ARG 64 1HH1 ARG 64 12.245 6.290 20.112 461 HA PRO 65 HA PRO 65 16.858 13.197 16.325 462 1HB PRO 65 1HB PRO 65 18.738 12.905 18.399 463 2HB PRO 65 2HB PRO 65 17.433 14.121 18.319 464 1HG PRO 65 1HG PRO 65 17.539 11.687 19.975 465 2HG PRO 65 2HG PRO 65 16.532 13.175 20.169 466 1HD PRO 65 1HD PRO 65 15.739 10.643 19.117 467 2HD PRO 65 2HD PRO 65 14.760 12.123 19.216 468 HA PRO 66 HA PRO 66 19.231 9.877 14.566 469 1HB PRO 66 1HB PRO 66 20.937 11.422 12.971 470 2HB PRO 66 2HB PRO 66 19.233 10.978 12.562 471 1HG PRO 66 1HG PRO 66 20.274 13.625 13.386 472 2HG PRO 66 2HG PRO 66 18.756 13.191 12.501 473 1HD PRO 66 1HD PRO 66 19.093 13.761 15.298 474 2HD PRO 66 2HD PRO 66 17.598 13.283 14.404 475 H LYS 67 H LYS 67 21.539 9.245 14.275 476 HA LYS 67 HA LYS 67 23.326 10.477 16.370 477 1HB LYS 67 1HB LYS 67 22.271 8.580 17.426 478 2HB LYS 67 2HB LYS 67 22.603 7.534 16.058 479 1HG LYS 67 1HG LYS 67 24.609 6.983 16.976 480 2HG LYS 67 2HG LYS 67 25.166 8.656 16.882 481 1HD LYS 67 1HD LYS 67 24.203 9.272 18.953 482 2HD LYS 67 2HD LYS 67 23.598 7.596 19.165 483 1HE LYS 67 1HE LYS 67 26.101 6.912 18.752 484 2HE LYS 67 2HE LYS 67 26.470 8.616 19.090 485 1HZ LYS 67 1HZ LYS 67 25.348 8.381 21.211 486 2HZ LYS 67 2HZ LYS 67 24.978 6.802 20.900 487 3HZ LYS 67 3HZ LYS 67 26.551 7.261 21.105 488 H HIS 68 H HIS 68 23.756 11.476 14.093 489 HA HIS 68 HA HIS 68 25.471 9.632 12.430 490 1HB HIS 68 1HB HIS 68 23.901 11.259 11.345 491 2HB HIS 68 2HB HIS 68 24.771 12.596 12.099 492 HD1 HIS 68 HD1 HIS 68 27.241 13.110 11.316 493 HD2 HIS 68 HD2 HIS 68 25.074 10.207 9.104 494 HE1 HIS 68 HE1 HIS 68 28.518 12.740 9.076 495 HE2 HIS 68 HE2 HIS 68 27.199 11.001 7.804 496 H SER 69 H SER 69 27.649 10.376 11.861 497 HA SER 69 HA SER 69 29.034 12.157 13.669 498 1HB SER 69 1HB SER 69 30.176 10.686 14.991 499 2HB SER 69 2HB SER 69 28.690 9.715 14.784 500 HG SER 69 HG SER 69 30.162 8.277 14.140 501 H LYS 70 H LYS 70 31.597 11.048 13.237 502 HA LYS 70 HA LYS 70 31.954 11.759 10.383 503 1HB LYS 70 1HB LYS 70 33.457 12.288 12.840 504 2HB LYS 70 2HB LYS 70 34.493 11.401 11.750 505 1HG LYS 70 1HG LYS 70 34.898 13.423 10.832 506 2HG LYS 70 2HG LYS 70 33.441 13.106 9.922 507 1HD LYS 70 1HD LYS 70 32.776 15.134 10.747 508 2HD LYS 70 2HD LYS 70 32.279 14.184 12.144 509 1HE LYS 70 1HE LYS 70 35.154 14.858 12.249 510 2HE LYS 70 2HE LYS 70 34.174 16.318 12.058 511 1HZ LYS 70 1HZ LYS 70 32.992 15.811 14.022 512 2HZ LYS 70 2HZ LYS 70 33.560 14.265 14.097 513 3HZ LYS 70 3HZ LYS 70 34.566 15.521 14.414 514 H ASP 71 H ASP 71 30.959 9.803 9.747 515 HA ASP 71 HA ASP 71 32.862 7.888 8.898 516 1HB ASP 71 1HB ASP 71 31.706 7.376 11.577 517 2HB ASP 71 2HB ASP 71 31.204 6.128 10.459 518 H GLY 72 H GLY 72 29.483 8.292 9.947 519 1HA GLY 72 1HA GLY 72 27.817 8.576 8.180 520 2HA GLY 72 2HA GLY 72 28.591 7.212 7.320 521 H ASN 73 H ASN 73 28.741 5.156 8.688 522 HA ASN 73 HA ASN 73 26.302 4.722 10.318 523 1HB ASN 73 1HB ASN 73 26.449 2.361 9.181 524 2HB ASN 73 2HB ASN 73 25.709 3.621 8.272 525 1HD2 ASN 73 1HD2 ASN 73 27.289 4.888 6.981 526 2HD2 ASN 73 2HD2 ASN 73 28.508 3.958 6.016 527 H GLY 74 H GLY 74 28.238 5.381 11.809 528 1HA GLY 74 1HA GLY 74 30.344 3.555 12.325 529 2HA GLY 74 2HA GLY 74 29.588 4.655 13.516 530 H LYS 75 H LYS 75 28.458 3.798 15.130 531 HA LYS 75 HA LYS 75 28.258 0.847 15.289 532 1HB LYS 75 1HB LYS 75 27.604 3.200 17.146 533 2HB LYS 75 2HB LYS 75 27.012 1.566 17.526 534 1HG LYS 75 1HG LYS 75 29.659 1.059 16.904 535 2HG LYS 75 2HG LYS 75 29.759 2.635 17.700 536 1HD LYS 75 1HD LYS 75 28.482 1.737 19.637 537 2HD LYS 75 2HD LYS 75 28.306 0.169 18.820 538 1HE LYS 75 1HE LYS 75 30.962 1.465 19.589 539 2HE LYS 75 2HE LYS 75 30.149 0.178 20.511 540 1HZ LYS 75 1HZ LYS 75 31.056 -0.065 17.696 541 2HZ LYS 75 2HZ LYS 75 31.840 -0.712 18.985 542 3HZ LYS 75 3HZ LYS 75 30.339 -1.253 18.558 543 H THR 76 H THR 76 25.573 2.487 16.558 544 HA THR 76 HA THR 76 23.858 1.181 14.492 545 HB THR 76 HB THR 76 23.879 0.656 17.156 546 HG1 THR 76 HG1 THR 76 22.075 -0.464 16.552 547 1HG2 THR 76 1HG2 THR 76 22.754 3.064 17.450 548 2HG2 THR 76 2HG2 THR 76 21.322 2.170 16.887 549 3HG2 THR 76 3HG2 THR 76 22.128 1.674 18.369 550 H ASP 77 H ASP 77 25.183 3.971 14.585 551 HA ASP 77 HA ASP 77 23.698 6.067 15.113 552 1HB ASP 77 1HB ASP 77 24.969 5.454 12.401 553 2HB ASP 77 2HB ASP 77 24.430 7.014 12.944 554 H HIS 78 H HIS 78 21.468 6.041 15.123 555 HA HIS 78 HA HIS 78 20.019 4.839 12.873 556 1HB HIS 78 1HB HIS 78 18.001 5.559 14.266 557 2HB HIS 78 2HB HIS 78 19.007 4.261 14.868 558 HD1 HIS 78 HD1 HIS 78 17.704 7.617 15.751 559 HD2 HIS 78 HD2 HIS 78 20.865 5.057 16.919 560 HE1 HIS 78 HE1 HIS 78 18.480 8.417 18.102 561 HE2 HIS 78 HE2 HIS 78 20.417 6.883 18.801 562 H TYR 79 H TYR 79 21.513 6.750 11.863 563 HA TYR 79 HA TYR 79 20.248 9.327 11.792 564 1HB TYR 79 1HB TYR 79 22.019 9.828 10.289 565 2HB TYR 79 2HB TYR 79 22.707 8.950 11.597 566 HD1 TYR 79 HD1 TYR 79 21.878 8.838 7.942 567 HD2 TYR 79 HD2 TYR 79 23.489 6.680 11.212 568 HE1 TYR 79 HE1 TYR 79 22.833 7.182 6.399 569 HE2 TYR 79 HE2 TYR 79 24.334 4.922 9.714 570 HH TYR 79 HH TYR 79 23.690 5.123 6.262 571 H LEU 80 H LEU 80 18.892 10.162 10.252 572 HA LEU 80 HA LEU 80 17.488 8.188 8.590 573 1HB LEU 80 1HB LEU 80 17.162 11.015 9.499 574 2HB LEU 80 2HB LEU 80 16.690 10.818 7.810 575 HG LEU 80 HG LEU 80 15.690 8.939 9.995 576 1HD1 LEU 80 1HD1 LEU 80 15.127 11.660 9.983 577 2HD1 LEU 80 2HD1 LEU 80 13.783 11.043 9.046 578 3HD1 LEU 80 3HD1 LEU 80 14.162 10.407 10.650 579 1HD2 LEU 80 1HD2 LEU 80 15.487 8.929 7.154 580 2HD2 LEU 80 2HD2 LEU 80 14.682 7.938 8.313 581 3HD2 LEU 80 3HD2 LEU 80 13.862 9.325 7.867 582 H LEU 81 H LEU 81 17.608 7.941 6.380 583 HA LEU 81 HA LEU 81 19.521 9.669 4.930 584 1HB LEU 81 1HB LEU 81 20.959 7.954 5.436 585 2HB LEU 81 2HB LEU 81 19.721 6.709 5.458 586 HG LEU 81 HG LEU 81 20.202 7.956 2.751 587 1HD1 LEU 81 1HD1 LEU 81 22.330 6.594 4.348 588 2HD1 LEU 81 2HD1 LEU 81 22.160 6.202 2.626 589 3HD1 LEU 81 3HD1 LEU 81 22.485 7.784 3.140 590 1HD2 LEU 81 1HD2 LEU 81 19.564 5.409 3.894 591 2HD2 LEU 81 2HD2 LEU 81 18.728 6.318 2.591 592 3HD2 LEU 81 3HD2 LEU 81 20.211 5.415 2.304 593 H GLU 82 H GLU 82 19.006 10.106 2.910 594 HA GLU 82 HA GLU 82 16.320 9.090 2.061 595 1HB GLU 82 1HB GLU 82 16.176 11.076 0.674 596 2HB GLU 82 2HB GLU 82 16.605 11.577 2.340 597 1HG GLU 82 1HG GLU 82 18.679 11.144 0.273 598 2HG GLU 82 2HG GLU 82 17.722 12.525 0.179 599 H PHE 83 H PHE 83 16.010 8.852 -0.313 600 HA PHE 83 HA PHE 83 18.450 8.243 -1.822 601 1HB PHE 83 1HB PHE 83 17.880 6.214 -0.485 602 2HB PHE 83 2HB PHE 83 16.350 6.215 -1.265 603 HD1 PHE 83 HD1 PHE 83 15.907 4.971 -3.202 604 HD2 PHE 83 HD2 PHE 83 19.943 6.147 -2.202 605 HE1 PHE 83 HE1 PHE 83 16.856 3.640 -5.056 606 HE2 PHE 83 HE2 PHE 83 20.843 4.762 -4.025 607 HZ PHE 83 HZ PHE 83 19.203 3.485 -5.409 608 HA PRO 84 HA PRO 84 15.593 9.711 -4.944 609 1HB PRO 84 1HB PRO 84 17.271 9.463 -7.160 610 2HB PRO 84 2HB PRO 84 17.277 10.832 -6.009 611 1HG PRO 84 1HG PRO 84 19.211 8.598 -6.253 612 2HG PRO 84 2HG PRO 84 19.399 10.221 -5.522 613 1HD PRO 84 1HD PRO 84 18.962 7.705 -4.209 614 2HD PRO 84 2HD PRO 84 18.988 9.325 -3.470 615 H THR 85 H THR 85 13.994 8.289 -4.952 616 HA THR 85 HA THR 85 14.420 5.821 -6.505 617 HB THR 85 HB THR 85 13.641 5.418 -4.266 618 HG1 THR 85 HG1 THR 85 12.793 4.344 -6.199 619 1HG2 THR 85 1HG2 THR 85 12.143 6.759 -3.203 620 2HG2 THR 85 2HG2 THR 85 12.040 7.794 -4.601 621 3HG2 THR 85 3HG2 THR 85 10.937 6.462 -4.474 622 H PHE 86 H PHE 86 13.996 6.000 -8.557 623 HA PHE 86 HA PHE 86 12.050 7.950 -9.480 624 1HB PHE 86 1HB PHE 86 13.627 5.780 -10.911 625 2HB PHE 86 2HB PHE 86 12.746 7.058 -11.730 626 HD1 PHE 86 HD1 PHE 86 15.900 6.090 -10.619 627 HD2 PHE 86 HD2 PHE 86 13.337 9.564 -10.875 628 HE1 PHE 86 HE1 PHE 86 17.890 7.682 -10.568 629 HE2 PHE 86 HE2 PHE 86 15.332 11.034 -10.793 630 HZ PHE 86 HZ PHE 86 17.602 10.002 -10.569 631 HA PRO 87 HA PRO 87 8.626 5.209 -9.857 632 1HB PRO 87 1HB PRO 87 7.327 6.283 -12.120 633 2HB PRO 87 2HB PRO 87 7.248 6.856 -10.478 634 1HG PRO 87 1HG PRO 87 8.710 8.019 -12.787 635 2HG PRO 87 2HG PRO 87 8.207 8.828 -11.259 636 1HD PRO 87 1HD PRO 87 10.798 7.878 -11.965 637 2HD PRO 87 2HD PRO 87 10.284 8.589 -10.414 638 H ASP 88 H ASP 88 10.291 5.928 -12.946 639 HA ASP 88 HA ASP 88 9.508 3.973 -14.627 640 1HB ASP 88 1HB ASP 88 12.186 5.143 -13.973 641 2HB ASP 88 2HB ASP 88 12.210 3.635 -14.880 642 H GLY 89 H GLY 89 11.298 3.504 -11.660 643 1HA GLY 89 1HA GLY 89 11.434 1.623 -10.356 644 2HA GLY 89 2HA GLY 89 10.788 0.672 -11.738 645 H HIS 90 H HIS 90 13.180 2.609 -12.798 646 HA HIS 90 HA HIS 90 14.950 0.327 -13.126 647 1HB HIS 90 1HB HIS 90 16.222 1.719 -14.593 648 2HB HIS 90 2HB HIS 90 14.513 1.969 -14.935 649 HD1 HIS 90 HD1 HIS 90 13.940 4.444 -15.404 650 HD2 HIS 90 HD2 HIS 90 17.187 3.886 -12.706 651 HE1 HIS 90 HE1 HIS 90 14.755 6.767 -14.712 652 HE2 HIS 90 HE2 HIS 90 16.668 6.470 -13.038 653 H ASP 91 H ASP 91 16.636 -0.164 -11.893 654 HA ASP 91 HA ASP 91 17.147 1.118 -9.386 655 1HB ASP 91 1HB ASP 91 17.667 -1.235 -9.755 656 2HB ASP 91 2HB ASP 91 18.780 -0.818 -11.083 657 H TYR 92 H TYR 92 17.451 3.346 -9.866 658 HA TYR 92 HA TYR 92 18.957 4.676 -11.601 659 1HB TYR 92 1HB TYR 92 17.820 5.733 -9.763 660 2HB TYR 92 2HB TYR 92 18.725 4.928 -8.592 661 HD1 TYR 92 HD1 TYR 92 19.957 6.771 -11.664 662 HD2 TYR 92 HD2 TYR 92 19.797 6.596 -7.361 663 HE1 TYR 92 HE1 TYR 92 21.615 8.634 -11.530 664 HE2 TYR 92 HE2 TYR 92 21.474 8.455 -7.242 665 HH TYR 92 HH TYR 92 22.804 9.815 -8.406 666 H LYS 93 H LYS 93 21.104 5.177 -12.002 667 HA LYS 93 HA LYS 93 23.031 3.192 -11.084 668 1HB LYS 93 1HB LYS 93 24.575 4.551 -12.577 669 2HB LYS 93 2HB LYS 93 23.210 3.721 -13.355 670 1HG LYS 93 1HG LYS 93 21.991 5.725 -13.698 671 2HG LYS 93 2HG LYS 93 22.919 6.627 -12.488 672 1HD LYS 93 1HD LYS 93 23.519 7.251 -14.811 673 2HD LYS 93 2HD LYS 93 24.871 6.595 -13.874 674 1HE LYS 93 1HE LYS 93 23.265 4.671 -15.457 675 2HE LYS 93 2HE LYS 93 24.160 5.859 -16.429 676 1HZ LYS 93 1HZ LYS 93 26.155 5.008 -15.723 677 2HZ LYS 93 2HZ LYS 93 25.620 4.576 -14.254 678 3HZ LYS 93 3HZ LYS 93 25.283 3.616 -15.551 679 H PHE 94 H PHE 94 22.400 4.072 -8.844 680 HA PHE 94 HA PHE 94 23.756 6.504 -7.975 681 1HB PHE 94 1HB PHE 94 23.059 5.612 -5.717 682 2HB PHE 94 2HB PHE 94 21.773 5.912 -6.806 683 HD1 PHE 94 HD1 PHE 94 20.365 4.168 -7.635 684 HD2 PHE 94 HD2 PHE 94 23.770 3.241 -5.229 685 HE1 PHE 94 HE1 PHE 94 19.544 1.835 -7.468 686 HE2 PHE 94 HE2 PHE 94 22.929 0.880 -5.007 687 HZ PHE 94 HZ PHE 94 20.830 0.207 -6.135 688 H ASP 95 H ASP 95 24.595 3.209 -8.519 689 HA ASP 95 HA ASP 95 26.839 3.251 -6.589 690 1HB ASP 95 1HB ASP 95 25.244 1.218 -7.230 691 2HB ASP 95 2HB ASP 95 26.291 1.107 -8.657 692 H SER 96 H SER 96 26.109 3.829 -9.935 693 HA SER 96 HA SER 96 28.948 3.586 -10.755 694 1HB SER 96 1HB SER 96 26.490 3.082 -12.085 695 2HB SER 96 2HB SER 96 27.164 4.535 -12.847 696 HG SER 96 HG SER 96 28.751 2.259 -12.360 697 H LYS 97 H LYS 97 30.093 5.274 -10.187 698 HA LYS 97 HA LYS 97 29.077 7.911 -9.766 699 1HB LYS 97 1HB LYS 97 31.263 8.540 -9.345 700 2HB LYS 97 2HB LYS 97 31.352 6.793 -9.079 701 1HG LYS 97 1HG LYS 97 32.281 6.479 -11.336 702 2HG LYS 97 2HG LYS 97 32.179 8.248 -11.588 703 1HD LYS 97 1HD LYS 97 33.634 7.595 -9.180 704 2HD LYS 97 2HD LYS 97 34.381 6.958 -10.664 705 1HE LYS 97 1HE LYS 97 33.313 9.808 -10.621 706 2HE LYS 97 2HE LYS 97 34.863 9.455 -9.830 707 1HZ LYS 97 1HZ LYS 97 35.855 9.310 -11.806 708 2HZ LYS 97 2HZ LYS 97 34.783 8.216 -12.371 709 3HZ LYS 97 3HZ LYS 97 34.479 9.823 -12.550 710 H LYS 98 H LYS 98 30.694 6.494 -12.603 711 HA LYS 98 HA LYS 98 29.468 8.550 -14.155 712 1HB LYS 98 1HB LYS 98 32.202 8.565 -13.685 713 2HB LYS 98 2HB LYS 98 32.039 8.053 -15.367 714 1HG LYS 98 1HG LYS 98 30.718 10.025 -15.903 715 2HG LYS 98 2HG LYS 98 30.529 10.454 -14.187 716 1HD LYS 98 1HD LYS 98 33.060 10.680 -14.076 717 2HD LYS 98 2HD LYS 98 33.086 10.507 -15.838 718 1HE LYS 98 1HE LYS 98 32.721 12.724 -16.008 719 2HE LYS 98 2HE LYS 98 31.092 12.456 -15.372 720 1HZ LYS 98 1HZ LYS 98 31.684 13.355 -13.408 721 2HZ LYS 98 2HZ LYS 98 33.105 12.547 -13.323 722 3HZ LYS 98 3HZ LYS 98 33.016 13.950 -14.168 723 HA PRO 99 HA PRO 99 28.756 8.927 -16.025 724 1HB PRO 99 1HB PRO 99 26.361 8.462 -17.239 725 2HB PRO 99 2HB PRO 99 27.958 8.707 -18.034 726 1HG PRO 99 1HG PRO 99 26.399 6.195 -17.673 727 2HG PRO 99 2HG PRO 99 27.688 6.581 -18.871 728 1HD PRO 99 1HD PRO 99 27.940 5.026 -16.446 729 2HD PRO 99 2HD PRO 99 29.249 5.499 -17.573 730 H LYS 100 H LYS 100 26.508 9.949 -15.426 731 HA LYS 100 HA LYS 100 25.186 8.529 -13.193 732 1HB LYS 100 1HB LYS 100 26.568 9.553 -11.799 733 2HB LYS 100 2HB LYS 100 26.971 10.873 -12.916 734 1HG LYS 100 1HG LYS 100 24.714 11.884 -12.488 735 2HG LYS 100 2HG LYS 100 24.360 10.570 -11.346 736 1HD LYS 100 1HD LYS 100 26.857 12.295 -11.097 737 2HD LYS 100 2HD LYS 100 25.264 12.958 -10.611 738 1HE LYS 100 1HE LYS 100 24.917 11.290 -9.003 739 2HE LYS 100 2HE LYS 100 26.190 10.267 -9.629 740 1HZ LYS 100 1HZ LYS 100 27.825 11.624 -8.718 741 2HZ LYS 100 2HZ LYS 100 26.817 12.928 -8.553 742 3HZ LYS 100 3HZ LYS 100 26.703 11.620 -7.552 743 H GLU 101 H GLU 101 23.085 8.681 -13.389 744 HA GLU 101 HA GLU 101 22.015 10.509 -15.404 745 1HB GLU 101 1HB GLU 101 21.323 7.932 -14.642 746 2HB GLU 101 2HB GLU 101 20.227 8.862 -13.673 747 1HG GLU 101 1HG GLU 101 20.232 10.048 -16.345 748 2HG GLU 101 2HG GLU 101 20.264 8.305 -16.565 749 H ASN 102 H ASN 102 20.065 11.807 -14.935 750 HA ASN 102 HA ASN 102 20.666 13.611 -12.853 751 1HB ASN 102 1HB ASN 102 19.294 13.964 -15.072 752 2HB ASN 102 2HB ASN 102 17.913 13.395 -14.100 753 1HD2 ASN 102 1HD2 ASN 102 20.439 15.810 -14.369 754 2HD2 ASN 102 2HD2 ASN 102 19.624 17.046 -13.384 755 HA PRO 103 HA PRO 103 18.530 11.551 -9.553 756 1HB PRO 103 1HB PRO 103 18.411 13.691 -7.723 757 2HB PRO 103 2HB PRO 103 19.801 12.618 -8.020 758 1HG PRO 103 1HG PRO 103 19.335 15.437 -8.881 759 2HG PRO 103 2HG PRO 103 20.892 14.540 -8.672 760 1HD PRO 103 1HD PRO 103 19.506 15.119 -11.069 761 2HD PRO 103 2HD PRO 103 20.967 14.127 -10.891 762 H GLY 104 H GLY 104 16.724 12.751 -7.777 763 1HA GLY 104 1HA GLY 104 14.560 13.716 -9.499 764 2HA GLY 104 2HA GLY 104 14.260 12.285 -8.485 765 HA PRO 105 HA PRO 105 13.795 16.322 -6.040 766 1HB PRO 105 1HB PRO 105 11.078 16.893 -6.446 767 2HB PRO 105 2HB PRO 105 12.448 17.649 -7.320 768 1HG PRO 105 1HG PRO 105 10.499 15.622 -8.293 769 2HG PRO 105 2HG PRO 105 11.544 16.751 -9.232 770 1HD PRO 105 1HD PRO 105 11.971 13.951 -8.739 771 2HD PRO 105 2HD PRO 105 13.045 15.102 -9.578 772 H ALA 106 H ALA 106 12.169 13.305 -6.437 773 HA ALA 106 HA ALA 106 11.204 13.425 -3.646 774 1HB ALA 106 1HB ALA 106 9.342 12.467 -4.337 775 2HB ALA 106 2HB ALA 106 9.864 12.899 -5.886 776 3HB ALA 106 3HB ALA 106 10.261 11.234 -5.243 777 H ARG 107 H ARG 107 11.955 11.981 -2.254 778 HA ARG 107 HA ARG 107 13.567 9.710 -3.186 779 1HB ARG 107 1HB ARG 107 14.592 11.802 -1.161 780 2HB ARG 107 2HB ARG 107 15.401 10.338 -1.566 781 1HG ARG 107 1HG ARG 107 15.158 11.377 -4.092 782 2HG ARG 107 2HG ARG 107 15.067 12.819 -3.190 783 1HD ARG 107 1HD ARG 107 17.263 11.305 -2.116 784 2HD ARG 107 2HD ARG 107 17.312 11.082 -3.837 785 HE ARG 107 HE ARG 107 18.088 13.144 -4.114 786 1HH1 ARG 107 2HH2 ARG 107 16.190 13.123 -1.248 787 2HH1 ARG 107 1HH2 ARG 107 16.467 14.754 -0.769 788 1HH2 ARG 107 2HH1 ARG 107 18.490 15.287 -3.604 789 2HH2 ARG 107 1HH1 ARG 107 17.797 15.989 -2.171 790 H VAL 108 H VAL 108 13.802 8.042 -1.679 791 HA VAL 108 HA VAL 108 11.629 7.960 0.320 792 HB VAL 108 HB VAL 108 11.918 6.096 -1.174 793 1HG1 VAL 108 1HG1 VAL 108 14.009 4.623 -0.842 794 2HG1 VAL 108 2HG1 VAL 108 14.228 6.115 -1.756 795 3HG1 VAL 108 3HG1 VAL 108 14.723 5.883 -0.040 796 1HG2 VAL 108 1HG2 VAL 108 11.388 5.925 1.438 797 2HG2 VAL 108 2HG2 VAL 108 11.465 4.515 0.375 798 3HG2 VAL 108 3HG2 VAL 108 12.852 4.920 1.389 799 H ILE 109 H ILE 109 11.846 8.500 2.328 800 HA ILE 109 HA ILE 109 14.612 8.610 3.482 801 HB ILE 109 HB ILE 109 12.129 10.262 3.857 802 1HG1 ILE 109 1HG1 ILE 109 13.745 12.117 3.617 803 2HG1 ILE 109 2HG1 ILE 109 15.082 10.953 3.602 804 1HG2 ILE 109 1HG2 ILE 109 12.780 9.536 6.088 805 2HG2 ILE 109 2HG2 ILE 109 14.448 10.141 5.754 806 3HG2 ILE 109 3HG2 ILE 109 13.064 11.234 5.897 807 1HD1 ILE 109 1HD1 ILE 109 14.179 11.888 1.294 808 2HD1 ILE 109 2HD1 ILE 109 14.424 10.178 1.445 809 3HD1 ILE 109 3HD1 ILE 109 12.802 10.819 1.646 810 H TYR 110 H TYR 110 15.137 7.079 4.802 811 HA TYR 110 HA TYR 110 13.057 5.936 6.597 812 1HB TYR 110 1HB TYR 110 13.834 3.697 6.001 813 2HB TYR 110 2HB TYR 110 13.237 4.517 4.565 814 HD1 TYR 110 HD1 TYR 110 14.554 4.458 2.614 815 HD2 TYR 110 HD2 TYR 110 16.530 3.917 6.420 816 HE1 TYR 110 HE1 TYR 110 16.728 3.984 1.486 817 HE2 TYR 110 HE2 TYR 110 18.656 3.573 5.319 818 HH TYR 110 HH TYR 110 18.900 3.564 1.768 819 H THR 111 H THR 111 13.833 5.164 8.536 820 HA THR 111 HA THR 111 16.383 6.328 9.354 821 HB THR 111 HB THR 111 15.619 5.908 11.534 822 HG1 THR 111 HG1 THR 111 15.260 3.701 11.496 823 1HG2 THR 111 1HG2 THR 111 13.823 7.199 10.035 824 2HG2 THR 111 2HG2 THR 111 12.884 5.743 10.224 825 3HG2 THR 111 3HG2 THR 111 13.399 6.668 11.632 826 H TYR 112 H TYR 112 18.082 5.139 10.381 827 HA TYR 112 HA TYR 112 18.372 2.502 9.179 828 1HB TYR 112 1HB TYR 112 20.036 3.763 8.332 829 2HB TYR 112 2HB TYR 112 20.202 4.725 9.799 830 HD1 TYR 112 HD1 TYR 112 21.802 2.304 7.890 831 HD2 TYR 112 HD2 TYR 112 21.052 3.283 11.963 832 HE1 TYR 112 HE1 TYR 112 23.776 0.919 8.623 833 HE2 TYR 112 HE2 TYR 112 22.966 2.007 12.687 834 HH TYR 112 HH TYR 112 25.348 0.864 10.579 835 HA PRO 113 HA PRO 113 19.972 0.956 9.365 836 1HB PRO 113 1HB PRO 113 19.833 -1.695 9.983 837 2HB PRO 113 2HB PRO 113 21.258 -0.634 10.255 838 1HG PRO 113 1HG PRO 113 19.325 -1.722 12.243 839 2HG PRO 113 2HG PRO 113 21.001 -1.111 12.495 840 1HD PRO 113 1HD PRO 113 18.524 0.286 13.058 841 2HD PRO 113 2HD PRO 113 20.177 0.932 13.167 842 H ASN 114 H ASN 114 17.439 -0.723 11.178 843 HA ASN 114 HA ASN 114 16.005 -1.793 9.103 844 1HB ASN 114 1HB ASN 114 15.522 -1.284 11.877 845 2HB ASN 114 2HB ASN 114 14.217 -0.461 11.085 846 1HD2 ASN 114 1HD2 ASN 114 12.475 -1.567 10.739 847 2HD2 ASN 114 2HD2 ASN 114 12.415 -3.321 10.498 848 H LYS 115 H LYS 115 15.544 -0.754 7.255 849 HA LYS 115 HA LYS 115 15.176 2.034 6.948 850 1HB LYS 115 1HB LYS 115 14.763 -0.400 5.199 851 2HB LYS 115 2HB LYS 115 14.064 1.124 4.652 852 1HG LYS 115 1HG LYS 115 15.982 1.849 3.990 853 2HG LYS 115 2HG LYS 115 16.785 1.551 5.579 854 1HD LYS 115 1HD LYS 115 16.418 -0.428 3.355 855 2HD LYS 115 2HD LYS 115 17.846 0.559 3.576 856 1HE LYS 115 1HE LYS 115 18.583 -1.085 4.958 857 2HE LYS 115 2HE LYS 115 17.521 -0.358 6.164 858 1HZ LYS 115 1HZ LYS 115 17.289 -2.852 5.661 859 2HZ LYS 115 2HZ LYS 115 15.884 -1.969 5.707 860 3HZ LYS 115 3HZ LYS 115 16.532 -2.373 4.267 861 H VAL 116 H VAL 116 13.770 2.414 8.689 862 HA VAL 116 HA VAL 116 11.019 1.515 8.608 863 HB VAL 116 HB VAL 116 12.485 3.571 10.215 864 1HG1 VAL 116 1HG1 VAL 116 10.046 3.240 11.572 865 2HG1 VAL 116 2HG1 VAL 116 10.621 4.646 10.645 866 3HG1 VAL 116 3HG1 VAL 116 9.614 3.399 9.869 867 1HG2 VAL 116 1HG2 VAL 116 11.065 1.323 11.545 868 2HG2 VAL 116 2HG2 VAL 116 12.389 0.843 10.492 869 3HG2 VAL 116 3HG2 VAL 116 12.688 1.969 11.820 870 H PHE 117 H PHE 117 11.006 2.128 6.259 871 HA PHE 117 HA PHE 117 10.986 4.487 5.006 872 1HB PHE 117 1HB PHE 117 10.175 2.340 4.063 873 2HB PHE 117 2HB PHE 117 8.715 2.459 5.048 874 HD1 PHE 117 HD1 PHE 117 10.068 3.105 1.852 875 HD2 PHE 117 HD2 PHE 117 7.195 4.690 4.698 876 HE1 PHE 117 HE1 PHE 117 8.923 4.386 0.089 877 HE2 PHE 117 HE2 PHE 117 6.234 5.958 3.008 878 HZ PHE 117 HZ PHE 117 6.943 5.829 0.647 879 H CYS 118 H CYS 118 10.429 6.482 5.666 880 HA CYS 118 HA CYS 118 8.057 6.782 7.401 881 1HB CYS 118 1HB CYS 118 10.677 8.010 7.304 882 2HB CYS 118 2HB CYS 118 9.461 9.203 6.948 883 H GLY 119 H GLY 119 9.399 7.576 4.231 884 1HA GLY 119 1HA GLY 119 7.302 7.731 2.632 885 2HA GLY 119 2HA GLY 119 7.099 9.236 3.531 886 H ILE 120 H ILE 120 7.304 10.003 1.246 887 HA ILE 120 HA ILE 120 10.165 10.234 0.527 888 HB ILE 120 HB ILE 120 7.653 10.174 -1.194 889 1HG1 ILE 120 1HG1 ILE 120 9.197 8.460 -2.435 890 2HG1 ILE 120 2HG1 ILE 120 10.113 8.467 -0.941 891 1HG2 ILE 120 1HG2 ILE 120 8.795 10.885 -3.058 892 2HG2 ILE 120 2HG2 ILE 120 9.346 12.065 -1.908 893 3HG2 ILE 120 3HG2 ILE 120 10.383 10.713 -2.302 894 1HD1 ILE 120 1HD1 ILE 120 8.682 6.993 -0.113 895 2HD1 ILE 120 2HD1 ILE 120 7.364 8.165 -0.165 896 3HD1 ILE 120 3HD1 ILE 120 7.597 7.143 -1.536 897 H ILE 121 H ILE 121 10.999 12.226 0.155 898 HA ILE 121 HA ILE 121 9.199 14.474 0.962 899 HB ILE 121 HB ILE 121 10.961 15.511 2.015 900 1HG1 ILE 121 1HG1 ILE 121 12.950 13.514 0.832 901 2HG1 ILE 121 2HG1 ILE 121 12.706 15.102 0.197 902 1HG2 ILE 121 1HG2 ILE 121 12.028 13.682 3.537 903 2HG2 ILE 121 2HG2 ILE 121 10.324 13.929 3.457 904 3HG2 ILE 121 3HG2 ILE 121 11.075 12.530 2.638 905 1HD1 ILE 121 1HD1 ILE 121 13.149 15.625 2.914 906 2HD1 ILE 121 2HD1 ILE 121 14.296 14.352 2.508 907 3HD1 ILE 121 3HD1 ILE 121 14.272 15.856 1.569 908 H ALA 122 H ALA 122 9.559 16.487 -0.072 909 HA ALA 122 HA ALA 122 11.290 16.926 -2.267 910 1HB ALA 122 1HB ALA 122 9.485 15.090 -3.144 911 2HB ALA 122 2HB ALA 122 8.505 16.556 -3.331 912 3HB ALA 122 3HB ALA 122 10.026 16.365 -4.180 913 H HIS 123 H HIS 123 10.740 18.914 -3.406 914 HA HIS 123 HA HIS 123 9.325 20.745 -1.605 915 1HB HIS 123 1HB HIS 123 10.809 21.751 -4.054 916 2HB HIS 123 2HB HIS 123 10.633 22.464 -2.492 917 HD1 HIS 123 HD1 HIS 123 12.670 22.276 -0.933 918 HD2 HIS 123 HD2 HIS 123 12.548 19.407 -4.072 919 HE1 HIS 123 HE1 HIS 123 14.911 20.983 -0.850 920 HE2 HIS 123 HE2 HIS 123 14.797 19.190 -2.733 921 H THR 124 H THR 124 7.228 20.331 -1.966 922 HA THR 124 HA THR 124 6.205 20.668 -4.753 923 HB THR 124 HB THR 124 5.603 18.685 -3.236 924 HG1 THR 124 HG1 THR 124 3.607 18.718 -4.270 925 1HG2 THR 124 1HG2 THR 124 4.352 18.984 -1.335 926 2HG2 THR 124 2HG2 THR 124 4.635 20.703 -1.523 927 3HG2 THR 124 3HG2 THR 124 3.215 20.048 -2.238 928 H LYS 125 H LYS 125 7.195 22.944 -3.801 929 HA LYS 125 HA LYS 125 4.761 24.579 -3.024 930 1HB LYS 125 1HB LYS 125 6.638 24.611 -1.345 931 2HB LYS 125 2HB LYS 125 7.708 25.248 -2.567 932 1HG LYS 125 1HG LYS 125 6.965 27.176 -1.442 933 2HG LYS 125 2HG LYS 125 5.909 27.172 -2.821 934 1HD LYS 125 1HD LYS 125 4.064 26.190 -1.557 935 2HD LYS 125 2HD LYS 125 5.148 25.934 -0.163 936 1HE LYS 125 1HE LYS 125 5.535 28.568 -0.414 937 2HE LYS 125 2HE LYS 125 3.964 28.488 -1.232 938 1HZ LYS 125 1HZ LYS 125 3.375 28.739 0.979 939 2HZ LYS 125 2HZ LYS 125 3.339 27.107 0.885 940 3HZ LYS 125 3HZ LYS 125 4.632 27.877 1.574 941 H GLU 126 H GLU 126 7.253 24.001 -5.403 942 HA GLU 126 HA GLU 126 5.838 25.430 -7.358 943 1HB GLU 126 1HB GLU 126 7.529 27.113 -5.709 944 2HB GLU 126 2HB GLU 126 8.349 26.938 -7.230 945 1HG GLU 126 1HG GLU 126 5.390 27.453 -7.415 946 2HG GLU 126 2HG GLU 126 6.358 28.747 -6.737 947 H ASN 127 H ASN 127 9.294 24.995 -6.598 948 HA ASN 127 HA ASN 127 9.489 22.799 -8.495 949 1HB ASN 127 1HB ASN 127 10.137 25.564 -9.277 950 2HB ASN 127 2HB ASN 127 11.627 24.622 -9.217 951 1HD2 ASN 127 1HD2 ASN 127 10.695 25.670 -11.518 952 2HD2 ASN 127 2HD2 ASN 127 10.201 24.325 -12.577 953 H GLN 128 H GLN 128 11.235 25.162 -6.515 954 HA GLN 128 HA GLN 128 12.492 23.063 -5.029 955 1HB GLN 128 1HB GLN 128 13.917 24.356 -7.287 956 2HB GLN 128 2HB GLN 128 14.759 24.626 -5.783 957 1HG GLN 128 1HG GLN 128 14.156 21.932 -5.517 958 2HG GLN 128 2HG GLN 128 14.352 22.117 -7.261 959 1HE2 GLN 128 1HE2 GLN 128 16.307 21.198 -7.533 960 2HE2 GLN 128 2HE2 GLN 128 17.787 21.737 -6.707 961 H GLY 129 H GLY 129 11.138 24.137 -3.513 962 1HA GLY 129 1HA GLY 129 12.412 26.648 -2.408 963 2HA GLY 129 2HA GLY 129 10.667 26.318 -2.357 964 H GLU 130 H GLU 130 9.873 25.203 -0.657 965 HA GLU 130 HA GLU 130 11.809 24.418 1.437 966 1HB GLU 130 1HB GLU 130 8.996 25.354 1.349 967 2HB GLU 130 2HB GLU 130 9.157 23.887 2.305 968 1HG GLU 130 1HG GLU 130 11.344 25.243 3.246 969 2HG GLU 130 2HG GLU 130 10.332 26.610 2.764 970 H LEU 131 H LEU 131 11.541 22.388 2.636 971 HA LEU 131 HA LEU 131 10.904 20.198 0.689 972 1HB LEU 131 1HB LEU 131 13.216 20.750 2.269 973 2HB LEU 131 2HB LEU 131 12.403 19.420 3.103 974 HG LEU 131 HG LEU 131 13.134 19.457 0.159 975 1HD1 LEU 131 1HD1 LEU 131 14.980 18.000 0.701 976 2HD1 LEU 131 2HD1 LEU 131 15.098 19.432 1.737 977 3HD1 LEU 131 3HD1 LEU 131 14.469 17.937 2.402 978 1HD2 LEU 131 1HD2 LEU 131 11.181 18.050 0.639 979 2HD2 LEU 131 2HD2 LEU 131 12.589 17.180 0.073 980 3HD2 LEU 131 3HD2 LEU 131 12.151 17.244 1.820 981 H LYS 132 H LYS 132 9.418 18.695 1.195 982 HA LYS 132 HA LYS 132 8.287 18.494 3.906 983 1HB LYS 132 1HB LYS 132 5.980 18.757 2.899 984 2HB LYS 132 2HB LYS 132 6.926 20.204 3.193 985 1HG LYS 132 1HG LYS 132 7.623 20.110 0.681 986 2HG LYS 132 2HG LYS 132 6.405 18.845 0.501 987 1HD LYS 132 1HD LYS 132 4.781 20.433 0.493 988 2HD LYS 132 2HD LYS 132 5.345 21.179 1.939 989 1HE LYS 132 1HE LYS 132 7.297 22.183 0.512 990 2HE LYS 132 2HE LYS 132 6.295 21.783 -0.894 991 1HZ LYS 132 1HZ LYS 132 6.069 23.997 0.625 992 2HZ LYS 132 2HZ LYS 132 4.895 23.422 -0.423 993 3HZ LYS 132 3HZ LYS 132 4.839 23.071 1.197 994 H LEU 133 H LEU 133 6.517 16.796 3.830 995 HA LEU 133 HA LEU 133 7.726 14.474 2.423 996 1HB LEU 133 1HB LEU 133 6.962 14.655 4.970 997 2HB LEU 133 2HB LEU 133 5.388 14.319 4.359 998 HG LEU 133 HG LEU 133 6.417 12.231 3.236 999 1HD1 LEU 133 1HD1 LEU 133 8.759 13.216 4.776 1000 2HD1 LEU 133 2HD1 LEU 133 8.587 11.476 4.442 1001 3HD1 LEU 133 3HD1 LEU 133 8.684 12.575 3.143 1002 1HD2 LEU 133 1HD2 LEU 133 5.102 12.148 5.312 1003 2HD2 LEU 133 2HD2 LEU 133 6.379 10.947 5.298 1004 3HD2 LEU 133 3HD2 LEU 133 6.551 12.472 6.246 1005 H CYS 134 H CYS 134 6.564 13.236 0.982 1006 HA CYS 134 HA CYS 134 4.764 14.464 -0.782 1007 1HB CYS 134 1HB CYS 134 5.292 11.503 -0.279 1008 2HB CYS 134 2HB CYS 134 4.426 12.136 -1.624 1009 H SER 135 H SER 135 2.665 12.772 -1.258 1010 HA SER 135 HA SER 135 1.082 12.863 1.309 1011 1HB SER 135 1HB SER 135 0.308 14.134 -1.327 1012 2HB SER 135 2HB SER 135 -0.808 13.805 0.023 1013 HG SER 135 HG SER 135 -0.088 15.538 0.953 1014 H HIS 136 H HIS 136 1.034 10.720 1.477 1015 HA HIS 136 HA HIS 136 -0.072 9.140 -0.802 1016 1HB HIS 136 1HB HIS 136 1.044 7.269 -0.086 1017 2HB HIS 136 2HB HIS 136 2.171 8.577 0.247 1018 HD1 HIS 136 HD1 HIS 136 1.617 9.597 2.964 1019 HD2 HIS 136 HD2 HIS 136 0.978 5.577 1.931 1020 HE1 HIS 136 HE1 HIS 136 1.642 8.288 5.182 1021 HE2 HIS 136 HE2 HIS 136 1.195 5.804 4.545 Start of MODEL 2 1 1H ALA 1 H1 ALA 1 0.376 -0.333 -0.209 2 2H ALA 1 H2 ALA 1 1.259 0.952 0.348 3 3H ALA 1 H3 ALA 1 1.780 -0.574 0.660 4 HA ALA 1 HA ALA 1 2.417 1.032 -1.452 5 1HB ALA 1 1HB ALA 1 4.129 -0.504 -1.707 6 2HB ALA 1 2HB ALA 1 3.645 -0.928 -0.052 7 3HB ALA 1 3HB ALA 1 3.095 -1.921 -1.405 8 H VAL 2 H VAL 2 2.753 -1.216 -3.407 9 HA VAL 2 HA VAL 2 0.264 -0.781 -4.830 10 HB VAL 2 HB VAL 2 2.504 -0.825 -5.886 11 1HG1 VAL 2 1HG1 VAL 2 3.739 -2.464 -4.725 12 2HG1 VAL 2 2HG1 VAL 2 2.522 -3.696 -5.051 13 3HG1 VAL 2 3HG1 VAL 2 3.523 -3.000 -6.374 14 1HG2 VAL 2 1HG2 VAL 2 0.290 -2.569 -6.836 15 2HG2 VAL 2 2HG2 VAL 2 0.862 -1.033 -7.456 16 3HG2 VAL 2 3HG2 VAL 2 1.812 -2.470 -7.737 17 H THR 3 H THR 3 -1.279 -2.329 -5.346 18 HA THR 3 HA THR 3 -1.558 -4.488 -3.417 19 HB THR 3 HB THR 3 -3.518 -3.781 -5.613 20 HG1 THR 3 HG1 THR 3 -2.849 -2.407 -3.244 21 1HG2 THR 3 1HG2 THR 3 -3.757 -4.491 -2.642 22 2HG2 THR 3 2HG2 THR 3 -5.078 -4.138 -3.743 23 3HG2 THR 3 3HG2 THR 3 -4.045 -5.595 -4.001 24 H TRP 4 H TRP 4 -0.912 -6.535 -3.780 25 HA TRP 4 HA TRP 4 0.004 -7.251 -6.467 26 1HB TRP 4 1HB TRP 4 0.084 -8.717 -3.800 27 2HB TRP 4 2HB TRP 4 0.757 -9.215 -5.312 28 HD1 TRP 4 HD1 TRP 4 1.077 -6.005 -3.206 29 HE1 TRP 4 HE1 TRP 4 3.589 -5.310 -3.124 30 HE3 TRP 4 HE3 TRP 4 3.011 -9.717 -6.028 31 HZ2 TRP 4 HZ2 TRP 4 6.080 -6.283 -4.136 32 HZ3 TRP 4 HZ3 TRP 4 5.423 -9.864 -6.464 33 HH2 TRP 4 HH2 TRP 4 6.977 -8.153 -5.519 34 H THR 5 H THR 5 -0.909 -8.951 -7.689 35 HA THR 5 HA THR 5 -3.446 -10.119 -6.656 36 HB THR 5 HB THR 5 -3.060 -8.418 -9.112 37 HG1 THR 5 HG1 THR 5 -4.350 -7.237 -7.934 38 1HG2 THR 5 1HG2 THR 5 -5.744 -9.626 -8.648 39 2HG2 THR 5 2HG2 THR 5 -4.838 -9.396 -10.175 40 3HG2 THR 5 3HG2 THR 5 -4.580 -10.810 -9.187 41 H CYS 6 H CYS 6 -3.731 -12.152 -7.205 42 HA CYS 6 HA CYS 6 -1.932 -13.349 -9.264 43 1HB CYS 6 1HB CYS 6 -1.831 -13.843 -6.403 44 2HB CYS 6 2HB CYS 6 -2.339 -15.267 -7.251 45 H GLY 7 H GLY 7 -4.254 -14.882 -7.048 46 1HA GLY 7 1HA GLY 7 -5.551 -16.401 -9.009 47 2HA GLY 7 2HA GLY 7 -6.238 -15.970 -7.411 48 H GLY 8 H GLY 8 -7.589 -14.163 -7.220 49 1HA GLY 8 1HA GLY 8 -8.238 -12.558 -9.604 50 2HA GLY 8 2HA GLY 8 -9.528 -13.631 -9.000 51 H LEU 9 H LEU 9 -7.239 -12.309 -6.681 52 HA LEU 9 HA LEU 9 -9.114 -10.177 -5.939 53 1HB LEU 9 1HB LEU 9 -8.053 -12.424 -4.161 54 2HB LEU 9 2HB LEU 9 -8.668 -10.902 -3.500 55 HG LEU 9 HG LEU 9 -10.362 -12.643 -5.343 56 1HD1 LEU 9 1HD1 LEU 9 -10.444 -12.724 -2.305 57 2HD1 LEU 9 2HD1 LEU 9 -11.311 -13.743 -3.473 58 3HD1 LEU 9 3HD1 LEU 9 -9.565 -13.900 -3.297 59 1HD2 LEU 9 1HD2 LEU 9 -12.113 -11.258 -4.802 60 2HD2 LEU 9 2HD2 LEU 9 -11.486 -10.859 -3.186 61 3HD2 LEU 9 3HD2 LEU 9 -10.825 -10.079 -4.623 62 H LEU 10 H LEU 10 -8.151 -8.583 -4.555 63 HA LEU 10 HA LEU 10 -5.303 -8.205 -5.302 64 1HB LEU 10 1HB LEU 10 -7.680 -6.437 -4.736 65 2HB LEU 10 2HB LEU 10 -6.165 -5.893 -4.168 66 HG LEU 10 HG LEU 10 -5.155 -5.981 -6.408 67 1HD1 LEU 10 1HD1 LEU 10 -6.690 -7.940 -7.165 68 2HD1 LEU 10 2HD1 LEU 10 -7.924 -6.761 -7.498 69 3HD1 LEU 10 3HD1 LEU 10 -6.340 -6.720 -8.341 70 1HD2 LEU 10 1HD2 LEU 10 -5.916 -3.908 -6.685 71 2HD2 LEU 10 2HD2 LEU 10 -7.437 -4.510 -7.338 72 3HD2 LEU 10 3HD2 LEU 10 -7.280 -4.228 -5.605 73 H TYR 11 H TYR 11 -3.766 -8.255 -3.882 74 HA TYR 11 HA TYR 11 -4.373 -8.677 -1.011 75 1HB TYR 11 1HB TYR 11 -2.046 -9.586 -2.741 76 2HB TYR 11 2HB TYR 11 -2.236 -9.925 -1.024 77 HD1 TYR 11 HD1 TYR 11 -2.833 -11.104 -4.340 78 HD2 TYR 11 HD2 TYR 11 -4.448 -11.173 -0.341 79 HE1 TYR 11 HE1 TYR 11 -4.162 -13.167 -4.889 80 HE2 TYR 11 HE2 TYR 11 -5.716 -13.253 -0.896 81 HH TYR 11 HH TYR 11 -6.088 -14.811 -2.410 82 H ASN 12 H ASN 12 -4.113 -6.782 -0.006 83 HA ASN 12 HA ASN 12 -2.413 -4.706 -0.862 84 1HB ASN 12 1HB ASN 12 -4.293 -4.914 1.132 85 2HB ASN 12 2HB ASN 12 -2.832 -5.019 2.108 86 1HD2 ASN 12 1HD2 ASN 12 -1.116 -3.447 0.570 87 2HD2 ASN 12 2HD2 ASN 12 -1.731 -1.765 0.675 88 H GLN 13 H GLN 13 -0.235 -4.871 -1.159 89 HA GLN 13 HA GLN 13 1.353 -6.768 -0.166 90 1HB GLN 13 1HB GLN 13 2.157 -5.033 -1.708 91 2HB GLN 13 2HB GLN 13 2.053 -3.812 -0.516 92 1HG GLN 13 1HG GLN 13 4.417 -4.847 -1.059 93 2HG GLN 13 2HG GLN 13 3.967 -4.615 0.648 94 1HE2 GLN 13 1HE2 GLN 13 3.042 -7.111 -1.796 95 2HE2 GLN 13 2HE2 GLN 13 3.591 -8.430 -0.774 96 H ASN 14 H ASN 14 0.607 -3.761 1.542 97 HA ASN 14 HA ASN 14 2.258 -3.982 3.759 98 1HB ASN 14 1HB ASN 14 0.174 -2.328 3.140 99 2HB ASN 14 2HB ASN 14 -0.688 -3.406 4.235 100 1HD2 ASN 14 1HD2 ASN 14 1.871 -1.082 3.918 101 2HD2 ASN 14 2HD2 ASN 14 2.094 -0.811 5.631 102 H LYS 15 H LYS 15 -0.709 -5.832 3.053 103 HA LYS 15 HA LYS 15 -0.673 -7.237 5.612 104 1HB LYS 15 1HB LYS 15 -2.474 -6.993 3.254 105 2HB LYS 15 2HB LYS 15 -2.396 -8.617 3.878 106 1HG LYS 15 1HG LYS 15 -3.473 -8.083 5.801 107 2HG LYS 15 2HG LYS 15 -2.605 -6.593 6.049 108 1HD LYS 15 1HD LYS 15 -4.175 -5.893 3.841 109 2HD LYS 15 2HD LYS 15 -5.209 -6.973 4.660 110 1HE LYS 15 1HE LYS 15 -5.747 -4.994 5.759 111 2HE LYS 15 2HE LYS 15 -4.460 -5.582 6.833 112 1HZ LYS 15 1HZ LYS 15 -2.919 -4.275 5.305 113 2HZ LYS 15 2HZ LYS 15 -4.273 -3.542 4.709 114 3HZ LYS 15 3HZ LYS 15 -3.877 -3.376 6.297 115 H ALA 16 H ALA 16 0.490 -7.731 2.290 116 HA ALA 16 HA ALA 16 1.028 -10.507 2.524 117 1HB ALA 16 1HB ALA 16 2.776 -8.664 1.089 118 2HB ALA 16 2HB ALA 16 2.239 -10.223 0.618 119 3HB ALA 16 3HB ALA 16 1.110 -8.818 0.485 120 H GLU 17 H GLU 17 2.874 -7.585 3.476 121 HA GLU 17 HA GLU 17 5.049 -9.263 4.555 122 1HB GLU 17 1HB GLU 17 5.950 -6.987 5.257 123 2HB GLU 17 2HB GLU 17 5.846 -7.310 3.514 124 1HG GLU 17 1HG GLU 17 3.977 -5.898 3.271 125 2HG GLU 17 2HG GLU 17 3.657 -5.857 4.990 126 H SER 18 H SER 18 2.385 -7.180 5.705 127 HA SER 18 HA SER 18 3.093 -7.304 8.463 128 1HB SER 18 1HB SER 18 1.630 -5.541 7.591 129 2HB SER 18 2HB SER 18 0.378 -6.758 7.255 130 HG SER 18 HG SER 18 0.869 -5.451 9.465 131 H ASN 19 H ASN 19 0.356 -8.876 6.658 132 HA ASN 19 HA ASN 19 -0.584 -10.581 8.582 133 1HB ASN 19 1HB ASN 19 -1.448 -10.309 6.178 134 2HB ASN 19 2HB ASN 19 -0.170 -11.491 5.755 135 1HD2 ASN 19 1HD2 ASN 19 -2.446 -11.141 8.452 136 2HD2 ASN 19 2HD2 ASN 19 -3.084 -12.777 8.259 137 H SER 20 H SER 20 2.388 -10.760 6.778 138 HA SER 20 HA SER 20 2.981 -13.452 7.717 139 1HB SER 20 1HB SER 20 4.506 -13.529 6.082 140 2HB SER 20 2HB SER 20 3.701 -12.075 5.505 141 HG SER 20 HG SER 20 5.247 -10.851 6.705 142 H HIS 21 H HIS 21 3.998 -10.102 8.333 143 HA HIS 21 HA HIS 21 6.269 -10.369 9.855 144 1HB HIS 21 1HB HIS 21 3.961 -8.419 9.943 145 2HB HIS 21 2HB HIS 21 5.035 -8.417 11.263 146 HD1 HIS 21 HD1 HIS 21 5.753 -5.974 10.533 147 HD2 HIS 21 HD2 HIS 21 6.658 -9.069 7.808 148 HE1 HIS 21 HE1 HIS 21 7.445 -4.995 8.819 149 HE2 HIS 21 HE2 HIS 21 7.970 -6.906 7.153 150 H HIS 22 H HIS 22 2.887 -11.098 10.834 151 HA HIS 22 HA HIS 22 3.621 -11.655 13.529 152 1HB HIS 22 1HB HIS 22 1.124 -12.821 12.471 153 2HB HIS 22 2HB HIS 22 1.401 -11.801 13.864 154 HD1 HIS 22 HD1 HIS 22 -0.731 -11.725 11.275 155 HD2 HIS 22 HD2 HIS 22 2.329 -9.062 12.421 156 HE1 HIS 22 HE1 HIS 22 -1.315 -9.435 10.220 157 HE2 HIS 22 HE2 HIS 22 0.571 -7.795 10.898 158 H ALA 23 H ALA 23 2.939 -13.576 10.582 159 HA ALA 23 HA ALA 23 2.902 -16.071 11.417 160 1HB ALA 23 1HB ALA 23 3.318 -16.620 9.322 161 2HB ALA 23 2HB ALA 23 3.111 -14.940 9.015 162 3HB ALA 23 3HB ALA 23 4.760 -15.575 9.154 163 HA PRO 24 HA PRO 24 6.741 -16.502 13.610 164 1HB PRO 24 1HB PRO 24 6.615 -19.284 14.032 165 2HB PRO 24 2HB PRO 24 5.801 -18.020 15.024 166 1HG PRO 24 1HG PRO 24 4.734 -19.846 13.058 167 2HG PRO 24 2HG PRO 24 3.819 -19.004 14.368 168 1HD PRO 24 1HD PRO 24 3.829 -18.374 11.590 169 2HD PRO 24 2HD PRO 24 3.144 -17.426 12.906 170 H LEU 25 H LEU 25 8.694 -16.488 12.756 171 HA LEU 25 HA LEU 25 9.256 -17.504 10.207 172 1HB LEU 25 1HB LEU 25 10.459 -15.723 11.943 173 2HB LEU 25 2HB LEU 25 11.566 -17.084 12.050 174 HG LEU 25 HG LEU 25 12.128 -16.982 9.765 175 1HD1 LEU 25 1HD1 LEU 25 10.911 -15.110 8.323 176 2HD1 LEU 25 2HD1 LEU 25 10.334 -16.729 8.450 177 3HD1 LEU 25 3HD1 LEU 25 9.562 -15.501 9.447 178 1HD2 LEU 25 1HD2 LEU 25 13.439 -15.336 10.614 179 2HD2 LEU 25 2HD2 LEU 25 12.496 -14.315 9.566 180 3HD2 LEU 25 3HD2 LEU 25 12.086 -14.399 11.273 181 H SER 26 H SER 26 8.797 -19.589 9.888 182 HA SER 26 HA SER 26 10.758 -21.499 10.488 183 1HB SER 26 1HB SER 26 8.708 -21.129 12.548 184 2HB SER 26 2HB SER 26 8.707 -22.765 11.875 185 HG SER 26 HG SER 26 10.980 -21.391 12.848 186 H ASP 27 H ASP 27 9.977 -23.748 9.860 187 HA ASP 27 HA ASP 27 8.028 -23.492 7.675 188 1HB ASP 27 1HB ASP 27 9.505 -24.576 6.471 189 2HB ASP 27 2HB ASP 27 10.619 -24.657 7.843 190 H GLY 28 H GLY 28 6.030 -24.166 8.210 191 1HA GLY 28 1HA GLY 28 4.381 -25.488 9.194 192 2HA GLY 28 2HA GLY 28 5.469 -26.862 8.897 193 H LYS 29 H LYS 29 5.029 -24.107 11.124 194 HA LYS 29 HA LYS 29 5.499 -25.937 13.424 195 1HB LYS 29 1HB LYS 29 7.612 -25.017 13.161 196 2HB LYS 29 2HB LYS 29 6.974 -23.388 12.843 197 1HG LYS 29 1HG LYS 29 6.456 -22.970 15.069 198 2HG LYS 29 2HG LYS 29 6.404 -24.697 15.495 199 1HD LYS 29 1HD LYS 29 8.373 -24.574 16.319 200 2HD LYS 29 2HD LYS 29 9.036 -24.311 14.693 201 1HE LYS 29 1HE LYS 29 9.134 -22.002 14.911 202 2HE LYS 29 2HE LYS 29 7.860 -21.936 16.153 203 1HZ LYS 29 1HZ LYS 29 10.411 -23.283 16.700 204 2HZ LYS 29 2HZ LYS 29 10.279 -21.655 16.894 205 3HZ LYS 29 3HZ LYS 29 9.314 -22.680 17.773 206 H THR 30 H THR 30 3.258 -24.376 11.954 207 HA THR 30 HA THR 30 2.172 -22.979 14.383 208 HB THR 30 HB THR 30 1.052 -21.559 12.886 209 HG1 THR 30 HG1 THR 30 2.098 -23.107 10.789 210 1HG2 THR 30 1HG2 THR 30 2.761 -20.373 12.201 211 2HG2 THR 30 2HG2 THR 30 3.832 -21.677 12.776 212 3HG2 THR 30 3HG2 THR 30 3.361 -21.603 11.090 213 H GLY 31 H GLY 31 0.024 -23.363 14.946 214 1HA GLY 31 1HA GLY 31 -0.904 -25.901 15.106 215 2HA GLY 31 2HA GLY 31 -1.988 -24.518 14.970 216 H SER 32 H SER 32 -1.685 -23.618 12.442 217 HA SER 32 HA SER 32 -3.159 -25.663 10.956 218 1HB SER 32 1HB SER 32 -3.909 -23.466 10.539 219 2HB SER 32 2HB SER 32 -2.268 -22.830 10.410 220 HG SER 32 HG SER 32 -1.983 -23.959 8.457 221 H SER 33 H SER 33 -0.286 -23.729 9.980 222 HA SER 33 HA SER 33 1.460 -25.799 9.516 223 1HB SER 33 1HB SER 33 1.318 -26.114 7.025 224 2HB SER 33 2HB SER 33 -0.060 -26.797 7.862 225 HG SER 33 HG SER 33 -0.473 -25.438 5.945 226 H TYR 34 H TYR 34 0.269 -23.205 7.392 227 HA TYR 34 HA TYR 34 2.683 -22.206 6.705 228 1HB TYR 34 1HB TYR 34 0.069 -20.717 6.988 229 2HB TYR 34 2HB TYR 34 1.435 -20.203 6.026 230 HD1 TYR 34 HD1 TYR 34 -1.352 -22.597 6.317 231 HD2 TYR 34 HD2 TYR 34 1.966 -21.309 3.868 232 HE1 TYR 34 HE1 TYR 34 -2.250 -23.958 4.398 233 HE2 TYR 34 HE2 TYR 34 0.940 -22.612 2.001 234 HH TYR 34 HH TYR 34 -1.953 -23.664 1.708 235 HA PRO 35 HA PRO 35 3.573 -20.239 6.197 236 1HB PRO 35 1HB PRO 35 6.127 -19.329 6.701 237 2HB PRO 35 2HB PRO 35 4.702 -18.315 6.433 238 1HG PRO 35 1HG PRO 35 6.114 -18.895 8.966 239 2HG PRO 35 2HG PRO 35 5.046 -17.574 8.532 240 1HD PRO 35 1HD PRO 35 4.419 -19.904 10.099 241 2HD PRO 35 2HD PRO 35 3.251 -18.650 9.613 242 H HIS 36 H HIS 36 5.067 -21.435 4.979 243 HA HIS 36 HA HIS 36 6.520 -23.551 6.435 244 1HB HIS 36 1HB HIS 36 5.685 -25.262 4.866 245 2HB HIS 36 2HB HIS 36 4.453 -24.622 5.963 246 HD1 HIS 36 HD1 HIS 36 2.922 -25.796 3.973 247 HD2 HIS 36 HD2 HIS 36 4.914 -22.183 3.190 248 HE1 HIS 36 HE1 HIS 36 1.781 -24.765 1.886 249 HE2 HIS 36 HE2 HIS 36 3.098 -22.523 1.446 250 H TRP 37 H TRP 37 8.040 -24.767 5.020 251 HA TRP 37 HA TRP 37 9.704 -22.868 3.669 252 1HB TRP 37 1HB TRP 37 10.664 -24.835 4.593 253 2HB TRP 37 2HB TRP 37 9.595 -25.875 3.744 254 HD1 TRP 37 HD1 TRP 37 12.062 -23.148 2.354 255 HE1 TRP 37 HE1 TRP 37 13.398 -24.174 0.456 256 HE3 TRP 37 HE3 TRP 37 10.073 -27.798 2.513 257 HZ2 TRP 37 HZ2 TRP 37 13.616 -26.710 -0.844 258 HZ3 TRP 37 HZ3 TRP 37 10.862 -29.556 0.913 259 HH2 TRP 37 HH2 TRP 37 12.558 -28.951 -0.754 260 H PHE 38 H PHE 38 9.994 -22.436 1.537 261 HA PHE 38 HA PHE 38 7.860 -23.226 -0.331 262 1HB PHE 38 1HB PHE 38 7.817 -20.780 0.240 263 2HB PHE 38 2HB PHE 38 9.509 -20.678 0.031 264 HD1 PHE 38 HD1 PHE 38 6.791 -22.223 -2.096 265 HD2 PHE 38 HD2 PHE 38 9.997 -19.403 -1.821 266 HE1 PHE 38 HE1 PHE 38 6.487 -21.610 -4.444 267 HE2 PHE 38 HE2 PHE 38 9.641 -18.743 -4.202 268 HZ PHE 38 HZ PHE 38 7.922 -19.842 -5.480 269 H THR 39 H THR 39 9.210 -25.097 -0.782 270 HA THR 39 HA THR 39 11.762 -25.305 -1.673 271 HB THR 39 HB THR 39 10.926 -27.072 -3.205 272 HG1 THR 39 HG1 THR 39 8.584 -27.144 -3.368 273 1HG2 THR 39 1HG2 THR 39 10.116 -26.870 -0.504 274 2HG2 THR 39 2HG2 THR 39 8.740 -27.522 -1.289 275 3HG2 THR 39 3HG2 THR 39 10.275 -28.357 -1.479 276 H ASN 40 H ASN 40 9.166 -23.594 -3.338 277 HA ASN 40 HA ASN 40 9.196 -22.219 -5.144 278 1HB ASN 40 1HB ASN 40 10.928 -21.006 -3.764 279 2HB ASN 40 2HB ASN 40 12.166 -21.961 -4.479 280 1HD2 ASN 40 1HD2 ASN 40 13.087 -19.956 -5.123 281 2HD2 ASN 40 2HD2 ASN 40 12.538 -19.226 -6.645 282 H GLY 41 H GLY 41 10.067 -25.176 -5.270 283 1HA GLY 41 1HA GLY 41 9.934 -26.218 -7.510 284 2HA GLY 41 2HA GLY 41 11.207 -25.088 -8.048 285 H TYR 42 H TYR 42 12.822 -25.137 -5.662 286 HA TYR 42 HA TYR 42 14.665 -27.137 -6.216 287 1HB TYR 42 1HB TYR 42 13.935 -25.698 -3.655 288 2HB TYR 42 2HB TYR 42 15.288 -26.717 -3.721 289 HD1 TYR 42 HD1 TYR 42 17.241 -26.082 -4.734 290 HD2 TYR 42 HD2 TYR 42 13.897 -23.499 -5.116 291 HE1 TYR 42 HE1 TYR 42 18.754 -24.141 -5.576 292 HE2 TYR 42 HE2 TYR 42 15.336 -21.663 -5.923 293 HH TYR 42 HH TYR 42 17.860 -21.722 -7.208 294 H ASP 43 H ASP 43 15.400 -28.837 -4.660 295 HA ASP 43 HA ASP 43 13.088 -30.658 -4.206 296 1HB ASP 43 1HB ASP 43 15.960 -30.970 -4.853 297 2HB ASP 43 2HB ASP 43 15.499 -31.957 -3.518 298 H GLY 44 H GLY 44 15.836 -29.156 -2.534 299 1HA GLY 44 1HA GLY 44 14.555 -28.989 -0.002 300 2HA GLY 44 2HA GLY 44 15.609 -30.394 -0.018 301 H ASP 45 H ASP 45 17.825 -29.639 -1.359 302 HA ASP 45 HA ASP 45 18.972 -27.628 0.414 303 1HB ASP 45 1HB ASP 45 19.972 -29.639 -1.634 304 2HB ASP 45 2HB ASP 45 20.988 -28.275 -1.230 305 H GLY 46 H GLY 46 20.042 -27.915 -2.879 306 1HA GLY 46 1HA GLY 46 18.909 -25.323 -3.638 307 2HA GLY 46 2HA GLY 46 20.652 -25.514 -3.685 308 H LYS 47 H LYS 47 18.887 -28.401 -4.396 309 HA LYS 47 HA LYS 47 19.416 -28.065 -7.304 310 1HB LYS 47 1HB LYS 47 19.375 -30.729 -7.037 311 2HB LYS 47 2HB LYS 47 20.843 -29.761 -6.827 312 1HG LYS 47 1HG LYS 47 20.628 -29.808 -4.393 313 2HG LYS 47 2HG LYS 47 19.031 -30.594 -4.510 314 1HD LYS 47 1HD LYS 47 20.082 -32.577 -5.504 315 2HD LYS 47 2HD LYS 47 21.670 -31.757 -5.487 316 1HE LYS 47 1HE LYS 47 21.472 -31.533 -2.981 317 2HE LYS 47 2HE LYS 47 19.972 -32.479 -3.039 318 1HZ LYS 47 1HZ LYS 47 21.111 -34.367 -3.540 319 2HZ LYS 47 2HZ LYS 47 22.335 -33.604 -4.333 320 3HZ LYS 47 3HZ LYS 47 22.305 -33.617 -2.681 321 H LEU 48 H LEU 48 17.905 -28.767 -8.745 322 HA LEU 48 HA LEU 48 15.204 -29.115 -7.538 323 1HB LEU 48 1HB LEU 48 15.698 -28.161 -10.355 324 2HB LEU 48 2HB LEU 48 14.282 -27.991 -9.405 325 HG LEU 48 HG LEU 48 16.482 -26.595 -8.071 326 1HD1 LEU 48 1HD1 LEU 48 15.816 -25.183 -10.581 327 2HD1 LEU 48 2HD1 LEU 48 17.300 -25.181 -9.590 328 3HD1 LEU 48 3HD1 LEU 48 16.980 -26.502 -10.706 329 1HD2 LEU 48 1HD2 LEU 48 13.766 -26.330 -8.309 330 2HD2 LEU 48 2HD2 LEU 48 14.906 -25.318 -7.401 331 3HD2 LEU 48 3HD2 LEU 48 14.378 -24.865 -8.998 332 HA PRO 49 HA PRO 49 14.974 -33.007 -9.454 333 1HB PRO 49 1HB PRO 49 12.230 -33.172 -10.066 334 2HB PRO 49 2HB PRO 49 12.973 -33.433 -8.453 335 1HG PRO 49 1HG PRO 49 11.404 -31.148 -9.444 336 2HG PRO 49 2HG PRO 49 11.725 -31.636 -7.743 337 1HD PRO 49 1HD PRO 49 12.968 -29.530 -9.206 338 2HD PRO 49 2HD PRO 49 13.391 -30.110 -7.580 339 H LYS 50 H LYS 50 14.657 -34.147 -11.426 340 HA LYS 50 HA LYS 50 15.392 -32.706 -13.732 341 1HB LYS 50 1HB LYS 50 16.035 -34.851 -13.876 342 2HB LYS 50 2HB LYS 50 14.567 -35.513 -13.155 343 1HG LYS 50 1HG LYS 50 13.344 -35.435 -15.164 344 2HG LYS 50 2HG LYS 50 14.379 -34.182 -15.869 345 1HD LYS 50 1HD LYS 50 15.207 -35.879 -17.061 346 2HD LYS 50 2HD LYS 50 16.203 -36.152 -15.620 347 1HE LYS 50 1HE LYS 50 14.331 -37.682 -14.756 348 2HE LYS 50 2HE LYS 50 13.575 -37.536 -16.353 349 1HZ LYS 50 1HZ LYS 50 16.350 -38.170 -16.536 350 2HZ LYS 50 2HZ LYS 50 15.549 -39.305 -15.657 351 3HZ LYS 50 3HZ LYS 50 15.067 -38.960 -17.199 352 H GLY 51 H GLY 51 14.101 -31.023 -14.190 353 1HA GLY 51 1HA GLY 51 12.419 -30.301 -15.818 354 2HA GLY 51 2HA GLY 51 11.391 -31.672 -15.297 355 H ARG 52 H ARG 52 12.560 -28.438 -14.492 356 HA ARG 52 HA ARG 52 10.178 -27.802 -13.138 357 1HB ARG 52 1HB ARG 52 11.457 -29.235 -11.366 358 2HB ARG 52 2HB ARG 52 12.628 -27.942 -11.286 359 1HG ARG 52 1HG ARG 52 11.221 -26.604 -10.079 360 2HG ARG 52 2HG ARG 52 9.814 -26.978 -11.079 361 1HD ARG 52 1HD ARG 52 10.680 -29.259 -9.430 362 2HD ARG 52 2HD ARG 52 10.166 -27.873 -8.540 363 HE ARG 52 HE ARG 52 8.334 -28.565 -10.629 364 1HH1 ARG 52 2HH2 ARG 52 9.199 -29.072 -7.305 365 2HH1 ARG 52 1HH2 ARG 52 7.615 -29.575 -6.810 366 1HH2 ARG 52 2HH1 ARG 52 6.272 -29.184 -10.010 367 2HH2 ARG 52 1HH1 ARG 52 5.958 -29.633 -8.376 368 H THR 53 H THR 53 10.196 -25.561 -12.351 369 HA THR 53 HA THR 53 12.563 -24.054 -13.058 370 HB THR 53 HB THR 53 9.919 -23.891 -14.539 371 HG1 THR 53 HG1 THR 53 11.402 -24.027 -16.222 372 1HG2 THR 53 1HG2 THR 53 10.839 -21.783 -15.615 373 2HG2 THR 53 2HG2 THR 53 10.235 -21.549 -13.959 374 3HG2 THR 53 3HG2 THR 53 11.988 -21.680 -14.256 375 HA PRO 54 HA PRO 54 10.902 -22.190 -9.375 376 1HB PRO 54 1HB PRO 54 13.182 -20.643 -8.798 377 2HB PRO 54 2HB PRO 54 12.993 -22.354 -8.354 378 1HG PRO 54 1HG PRO 54 14.682 -21.211 -10.467 379 2HG PRO 54 2HG PRO 54 14.778 -22.810 -9.651 380 1HD PRO 54 1HD PRO 54 13.705 -22.221 -12.244 381 2HD PRO 54 2HD PRO 54 13.707 -23.781 -11.385 382 H ILE 55 H ILE 55 10.618 -19.954 -8.536 383 HA ILE 55 HA ILE 55 9.672 -18.300 -10.763 384 HB ILE 55 HB ILE 55 9.513 -17.644 -7.832 385 1HG1 ILE 55 1HG1 ILE 55 7.789 -19.586 -9.427 386 2HG1 ILE 55 2HG1 ILE 55 8.648 -19.878 -7.949 387 1HG2 ILE 55 1HG2 ILE 55 7.535 -17.093 -10.062 388 2HG2 ILE 55 2HG2 ILE 55 7.685 -16.324 -8.483 389 3HG2 ILE 55 3HG2 ILE 55 8.899 -15.990 -9.714 390 1HD1 ILE 55 1HD1 ILE 55 7.220 -17.953 -6.978 391 2HD1 ILE 55 2HD1 ILE 55 6.119 -18.404 -8.295 392 3HD1 ILE 55 3HD1 ILE 55 6.564 -19.610 -7.092 393 H LYS 56 H LYS 56 10.687 -16.587 -11.559 394 HA LYS 56 HA LYS 56 13.282 -15.794 -10.314 395 1HB LYS 56 1HB LYS 56 13.492 -16.416 -12.592 396 2HB LYS 56 2HB LYS 56 12.111 -15.454 -13.106 397 1HG LYS 56 1HG LYS 56 14.451 -14.082 -11.715 398 2HG LYS 56 2HG LYS 56 14.628 -14.570 -13.394 399 1HD LYS 56 1HD LYS 56 12.042 -13.279 -13.126 400 2HD LYS 56 2HD LYS 56 13.219 -12.259 -12.317 401 1HE LYS 56 1HE LYS 56 14.285 -11.709 -14.253 402 2HE LYS 56 2HE LYS 56 14.143 -13.341 -14.931 403 1HZ LYS 56 1HZ LYS 56 12.774 -11.617 -16.079 404 2HZ LYS 56 2HZ LYS 56 11.913 -12.927 -15.545 405 3HZ LYS 56 3HZ LYS 56 11.841 -11.505 -14.721 406 H PHE 57 H PHE 57 13.545 -13.952 -9.356 407 HA PHE 57 HA PHE 57 11.335 -11.904 -9.447 408 1HB PHE 57 1HB PHE 57 13.257 -12.322 -7.152 409 2HB PHE 57 2HB PHE 57 11.686 -11.545 -7.169 410 HD1 PHE 57 HD1 PHE 57 13.520 -14.825 -7.320 411 HD2 PHE 57 HD2 PHE 57 9.757 -12.845 -6.765 412 HE1 PHE 57 HE1 PHE 57 12.537 -16.937 -6.503 413 HE2 PHE 57 HE2 PHE 57 8.751 -15.053 -5.934 414 HZ PHE 57 HZ PHE 57 10.216 -17.061 -5.755 415 H GLY 58 H GLY 58 14.843 -12.317 -8.663 416 1HA GLY 58 1HA GLY 58 16.433 -11.010 -10.091 417 2HA GLY 58 2HA GLY 58 15.383 -9.604 -9.772 418 H LYS 59 H LYS 59 15.207 -11.339 -6.914 419 HA LYS 59 HA LYS 59 16.984 -9.516 -5.604 420 1HB LYS 59 1HB LYS 59 14.890 -11.509 -4.968 421 2HB LYS 59 2HB LYS 59 16.214 -11.554 -3.812 422 1HG LYS 59 1HG LYS 59 15.065 -8.864 -4.623 423 2HG LYS 59 2HG LYS 59 14.141 -9.869 -3.512 424 1HD LYS 59 1HD LYS 59 15.413 -9.057 -1.852 425 2HD LYS 59 2HD LYS 59 16.754 -10.013 -2.461 426 1HE LYS 59 1HE LYS 59 16.769 -7.757 -4.105 427 2HE LYS 59 2HE LYS 59 16.225 -7.098 -2.554 428 1HZ LYS 59 1HZ LYS 59 18.338 -7.222 -1.874 429 2HZ LYS 59 2HZ LYS 59 18.340 -8.839 -2.018 430 3HZ LYS 59 3HZ LYS 59 18.824 -7.890 -3.294 431 H SER 60 H SER 60 18.355 -10.618 -3.791 432 HA SER 60 HA SER 60 20.298 -12.255 -5.351 433 1HB SER 60 1HB SER 60 20.764 -9.925 -4.019 434 2HB SER 60 2HB SER 60 21.079 -11.065 -2.706 435 HG SER 60 HG SER 60 22.399 -12.149 -4.529 436 H ASP 61 H ASP 61 18.777 -11.938 -2.078 437 HA ASP 61 HA ASP 61 19.731 -14.557 -1.258 438 1HB ASP 61 1HB ASP 61 17.813 -12.488 -0.104 439 2HB ASP 61 2HB ASP 61 18.005 -14.084 0.624 440 H CYS 62 H CYS 62 16.714 -13.065 -2.451 441 HA CYS 62 HA CYS 62 15.147 -15.500 -2.159 442 1HB CYS 62 1HB CYS 62 13.843 -13.555 -2.037 443 2HB CYS 62 2HB CYS 62 14.706 -12.829 -3.348 444 H ASP 63 H ASP 63 17.505 -14.399 -4.337 445 HA ASP 63 HA ASP 63 16.542 -16.109 -6.547 446 1HB ASP 63 1HB ASP 63 17.444 -14.072 -7.257 447 2HB ASP 63 2HB ASP 63 18.864 -14.233 -6.130 448 H ARG 64 H ARG 64 19.282 -15.767 -4.230 449 HA ARG 64 HA ARG 64 20.792 -17.850 -5.104 450 1HB ARG 64 1HB ARG 64 21.959 -17.378 -3.323 451 2HB ARG 64 2HB ARG 64 20.761 -16.197 -2.890 452 1HG ARG 64 1HG ARG 64 19.512 -17.875 -1.543 453 2HG ARG 64 2HG ARG 64 20.884 -18.944 -1.775 454 1HD ARG 64 1HD ARG 64 20.663 -17.387 0.319 455 2HD ARG 64 2HD ARG 64 22.145 -18.150 -0.290 456 HE ARG 64 HE ARG 64 21.367 -15.313 -0.515 457 1HH1 ARG 64 2HH2 ARG 64 23.496 -17.778 -1.692 458 2HH1 ARG 64 1HH2 ARG 64 24.677 -16.682 -2.324 459 1HH2 ARG 64 2HH1 ARG 64 22.879 -13.888 -1.336 460 2HH2 ARG 64 1HH1 ARG 64 24.317 -14.466 -2.106 461 HA PRO 65 HA PRO 65 18.723 -21.493 -4.065 462 1HB PRO 65 1HB PRO 65 20.746 -23.216 -3.170 463 2HB PRO 65 2HB PRO 65 20.360 -22.809 -4.877 464 1HG PRO 65 1HG PRO 65 22.628 -21.862 -3.221 465 2HG PRO 65 2HG PRO 65 22.453 -21.904 -5.017 466 1HD PRO 65 1HD PRO 65 22.158 -19.673 -3.286 467 2HD PRO 65 2HD PRO 65 21.874 -19.703 -5.031 468 HA PRO 66 HA PRO 66 17.825 -21.354 0.256 469 1HB PRO 66 1HB PRO 66 16.000 -23.487 0.363 470 2HB PRO 66 2HB PRO 66 15.630 -21.819 -0.199 471 1HG PRO 66 1HG PRO 66 15.928 -24.287 -1.807 472 2HG PRO 66 2HG PRO 66 15.096 -22.736 -2.209 473 1HD PRO 66 1HD PRO 66 17.702 -23.608 -3.018 474 2HD PRO 66 2HD PRO 66 16.899 -22.037 -3.339 475 H LYS 67 H LYS 67 17.683 -22.870 2.194 476 HA LYS 67 HA LYS 67 19.427 -25.266 1.891 477 1HB LYS 67 1HB LYS 67 20.184 -22.673 3.202 478 2HB LYS 67 2HB LYS 67 20.521 -24.078 4.175 479 1HG LYS 67 1HG LYS 67 21.356 -24.580 1.402 480 2HG LYS 67 2HG LYS 67 22.114 -23.161 2.057 481 1HD LYS 67 1HD LYS 67 22.788 -24.497 4.091 482 2HD LYS 67 2HD LYS 67 22.062 -25.923 3.331 483 1HE LYS 67 1HE LYS 67 24.275 -26.173 2.660 484 2HE LYS 67 2HE LYS 67 23.593 -25.308 1.275 485 1HZ LYS 67 1HZ LYS 67 25.131 -23.744 1.673 486 2HZ LYS 67 2HZ LYS 67 24.396 -23.397 3.123 487 3HZ LYS 67 3HZ LYS 67 25.621 -24.478 3.063 488 H HIS 68 H HIS 68 17.108 -25.971 2.044 489 HA HIS 68 HA HIS 68 16.050 -25.780 4.838 490 1HB HIS 68 1HB HIS 68 14.534 -25.640 2.858 491 2HB HIS 68 2HB HIS 68 15.015 -27.253 2.362 492 HD1 HIS 68 HD1 HIS 68 14.166 -29.302 3.740 493 HD2 HIS 68 HD2 HIS 68 12.776 -25.553 5.024 494 HE1 HIS 68 HE1 HIS 68 12.180 -29.730 5.339 495 HE2 HIS 68 HE2 HIS 68 11.331 -27.440 6.131 496 H SER 69 H SER 69 15.500 -27.749 5.978 497 HA SER 69 HA SER 69 17.085 -30.143 5.350 498 1HB SER 69 1HB SER 69 17.965 -28.167 7.263 499 2HB SER 69 2HB SER 69 17.533 -29.619 8.127 500 HG SER 69 HG SER 69 18.849 -30.617 6.189 501 H LYS 70 H LYS 70 16.793 -31.419 7.817 502 HA LYS 70 HA LYS 70 13.874 -31.920 7.732 503 1HB LYS 70 1HB LYS 70 16.241 -33.571 8.019 504 2HB LYS 70 2HB LYS 70 15.339 -33.699 9.503 505 1HG LYS 70 1HG LYS 70 13.278 -33.876 7.635 506 2HG LYS 70 2HG LYS 70 14.629 -34.601 6.772 507 1HD LYS 70 1HD LYS 70 14.081 -36.489 7.891 508 2HD LYS 70 2HD LYS 70 14.853 -35.770 9.308 509 1HE LYS 70 1HE LYS 70 12.743 -34.861 10.117 510 2HE LYS 70 2HE LYS 70 11.920 -35.290 8.606 511 1HZ LYS 70 1HZ LYS 70 11.505 -37.280 9.462 512 2HZ LYS 70 2HZ LYS 70 13.115 -37.596 9.627 513 3HZ LYS 70 3HZ LYS 70 12.283 -36.893 10.861 514 H ASP 71 H ASP 71 13.526 -29.799 8.669 515 HA ASP 71 HA ASP 71 12.794 -30.023 11.399 516 1HB ASP 71 1HB ASP 71 15.574 -29.141 10.934 517 2HB ASP 71 2HB ASP 71 14.647 -27.847 11.663 518 H GLY 72 H GLY 72 13.985 -27.807 8.867 519 1HA GLY 72 1HA GLY 72 12.166 -26.445 7.795 520 2HA GLY 72 2HA GLY 72 11.744 -25.943 9.454 521 H ASN 73 H ASN 73 14.284 -25.636 10.527 522 HA ASN 73 HA ASN 73 15.725 -23.793 8.789 523 1HB ASN 73 1HB ASN 73 14.135 -22.182 9.562 524 2HB ASN 73 2HB ASN 73 14.115 -22.901 11.187 525 1HD2 ASN 73 1HD2 ASN 73 14.936 -21.576 12.576 526 2HD2 ASN 73 2HD2 ASN 73 16.433 -20.655 12.255 527 H GLY 74 H GLY 74 17.239 -25.600 9.214 528 1HA GLY 74 1HA GLY 74 18.108 -26.309 11.842 529 2HA GLY 74 2HA GLY 74 19.029 -26.512 10.311 530 H LYS 75 H LYS 75 20.935 -25.574 10.430 531 HA LYS 75 HA LYS 75 21.728 -23.699 12.435 532 1HB LYS 75 1HB LYS 75 22.854 -24.593 9.739 533 2HB LYS 75 2HB LYS 75 23.573 -23.178 10.526 534 1HG LYS 75 1HG LYS 75 23.413 -24.994 12.649 535 2HG LYS 75 2HG LYS 75 23.774 -26.033 11.262 536 1HD LYS 75 1HD LYS 75 25.682 -24.538 10.684 537 2HD LYS 75 2HD LYS 75 25.314 -23.512 12.091 538 1HE LYS 75 1HE LYS 75 26.010 -25.103 13.644 539 2HE LYS 75 2HE LYS 75 25.674 -26.465 12.560 540 1HZ LYS 75 1HZ LYS 75 27.941 -24.571 12.342 541 2HZ LYS 75 2HZ LYS 75 28.027 -26.180 12.693 542 3HZ LYS 75 3HZ LYS 75 27.572 -25.692 11.193 543 H THR 76 H THR 76 22.022 -22.552 9.153 544 HA THR 76 HA THR 76 20.383 -20.177 9.945 545 HB THR 76 HB THR 76 23.087 -20.114 9.620 546 HG1 THR 76 HG1 THR 76 21.141 -18.220 8.946 547 1HG2 THR 76 1HG2 THR 76 23.823 -19.348 7.529 548 2HG2 THR 76 2HG2 THR 76 22.578 -20.504 7.014 549 3HG2 THR 76 3HG2 THR 76 22.217 -18.765 7.115 550 H ASP 77 H ASP 77 19.723 -22.746 8.465 551 HA ASP 77 HA ASP 77 19.531 -22.764 5.839 552 1HB ASP 77 1HB ASP 77 17.181 -22.966 7.767 553 2HB ASP 77 2HB ASP 77 17.119 -23.466 6.119 554 H HIS 78 H HIS 78 19.337 -21.089 4.445 555 HA HIS 78 HA HIS 78 17.633 -18.788 5.173 556 1HB HIS 78 1HB HIS 78 18.637 -17.916 2.929 557 2HB HIS 78 2HB HIS 78 19.608 -17.934 4.377 558 HD1 HIS 78 HD1 HIS 78 19.632 -19.049 0.893 559 HD2 HIS 78 HD2 HIS 78 21.291 -20.333 4.575 560 HE1 HIS 78 HE1 HIS 78 21.635 -20.580 0.309 561 HE2 HIS 78 HE2 HIS 78 22.626 -21.355 2.556 562 H TYR 79 H TYR 79 16.755 -21.531 4.320 563 HA TYR 79 HA TYR 79 15.570 -21.728 1.879 564 1HB TYR 79 1HB TYR 79 14.175 -23.320 2.887 565 2HB TYR 79 2HB TYR 79 15.654 -23.409 3.803 566 HD1 TYR 79 HD1 TYR 79 12.354 -23.676 4.323 567 HD2 TYR 79 HD2 TYR 79 15.447 -21.210 5.755 568 HE1 TYR 79 HE1 TYR 79 11.150 -23.283 6.376 569 HE2 TYR 79 HE2 TYR 79 14.268 -20.768 7.809 570 HH TYR 79 HH TYR 79 11.669 -22.644 8.762 571 H LEU 80 H LEU 80 13.729 -20.987 0.881 572 HA LEU 80 HA LEU 80 12.633 -18.534 2.055 573 1HB LEU 80 1HB LEU 80 12.625 -19.958 -0.606 574 2HB LEU 80 2HB LEU 80 11.170 -19.077 -0.216 575 HG LEU 80 HG LEU 80 13.469 -17.468 0.394 576 1HD1 LEU 80 1HD1 LEU 80 14.698 -17.333 -1.487 577 2HD1 LEU 80 2HD1 LEU 80 14.245 -18.987 -1.623 578 3HD1 LEU 80 3HD1 LEU 80 13.350 -17.779 -2.555 579 1HD2 LEU 80 1HD2 LEU 80 12.210 -15.737 -0.498 580 2HD2 LEU 80 2HD2 LEU 80 11.658 -16.729 -1.808 581 3HD2 LEU 80 3HD2 LEU 80 10.978 -16.935 -0.162 582 H LEU 81 H LEU 81 10.429 -18.190 2.547 583 HA LEU 81 HA LEU 81 8.804 -20.675 2.867 584 1HB LEU 81 1HB LEU 81 9.320 -18.562 5.001 585 2HB LEU 81 2HB LEU 81 8.083 -19.771 5.083 586 HG LEU 81 HG LEU 81 10.512 -21.202 4.551 587 1HD1 LEU 81 1HD1 LEU 81 11.302 -18.751 5.655 588 2HD1 LEU 81 2HD1 LEU 81 11.241 -19.848 7.014 589 3HD1 LEU 81 3HD1 LEU 81 12.170 -20.212 5.530 590 1HD2 LEU 81 1HD2 LEU 81 9.265 -22.436 5.889 591 2HD2 LEU 81 2HD2 LEU 81 9.937 -21.594 7.207 592 3HD2 LEU 81 3HD2 LEU 81 8.406 -21.091 6.633 593 H GLU 82 H GLU 82 6.717 -20.438 2.475 594 HA GLU 82 HA GLU 82 5.871 -17.751 1.571 595 1HB GLU 82 1HB GLU 82 4.282 -18.857 0.160 596 2HB GLU 82 2HB GLU 82 5.904 -19.527 -0.161 597 1HG GLU 82 1HG GLU 82 4.044 -20.853 1.747 598 2HG GLU 82 2HG GLU 82 3.613 -20.942 0.116 599 H PHE 83 H PHE 83 3.891 -16.887 2.170 600 HA PHE 83 HA PHE 83 2.466 -18.371 4.304 601 1HB PHE 83 1HB PHE 83 4.090 -16.633 5.150 602 2HB PHE 83 2HB PHE 83 3.079 -15.462 4.355 603 HD1 PHE 83 HD1 PHE 83 1.392 -14.321 5.445 604 HD2 PHE 83 HD2 PHE 83 2.663 -18.210 6.794 605 HE1 PHE 83 HE1 PHE 83 -0.086 -14.219 7.461 606 HE2 PHE 83 HE2 PHE 83 1.204 -18.024 8.805 607 HZ PHE 83 HZ PHE 83 -0.105 -15.948 9.063 608 HA PRO 84 HA PRO 84 -1.001 -17.093 1.806 609 1HB PRO 84 1HB PRO 84 -3.031 -18.024 3.469 610 2HB PRO 84 2HB PRO 84 -2.111 -19.027 2.309 611 1HG PRO 84 1HG PRO 84 -1.898 -18.928 5.270 612 2HG PRO 84 2HG PRO 84 -1.392 -20.213 4.124 613 1HD PRO 84 1HD PRO 84 0.245 -18.250 5.422 614 2HD PRO 84 2HD PRO 84 0.730 -19.421 4.176 615 H THR 85 H THR 85 -1.205 -15.007 1.639 616 HA THR 85 HA THR 85 -2.117 -13.491 4.016 617 HB THR 85 HB THR 85 -0.117 -12.518 3.324 618 HG1 THR 85 HG1 THR 85 -1.653 -10.923 3.369 619 1HG2 THR 85 1HG2 THR 85 0.196 -11.892 0.809 620 2HG2 THR 85 2HG2 THR 85 0.505 -13.570 1.289 621 3HG2 THR 85 3HG2 THR 85 -1.011 -13.132 0.493 622 H PHE 86 H PHE 86 -4.201 -13.275 4.112 623 HA PHE 86 HA PHE 86 -5.818 -13.314 1.693 624 1HB PHE 86 1HB PHE 86 -6.432 -12.897 4.651 625 2HB PHE 86 2HB PHE 86 -7.678 -13.042 3.439 626 HD1 PHE 86 HD1 PHE 86 -5.877 -14.813 5.811 627 HD2 PHE 86 HD2 PHE 86 -7.451 -15.188 1.818 628 HE1 PHE 86 HE1 PHE 86 -5.915 -17.366 5.988 629 HE2 PHE 86 HE2 PHE 86 -7.470 -17.625 2.046 630 HZ PHE 86 HZ PHE 86 -6.655 -18.674 4.187 631 HA PRO 87 HA PRO 87 -6.287 -8.974 1.247 632 1HB PRO 87 1HB PRO 87 -8.936 -8.790 0.327 633 2HB PRO 87 2HB PRO 87 -7.527 -9.287 -0.630 634 1HG PRO 87 1HG PRO 87 -9.705 -10.977 0.376 635 2HG PRO 87 2HG PRO 87 -8.555 -11.271 -0.981 636 1HD PRO 87 1HD PRO 87 -8.474 -12.339 1.660 637 2HD PRO 87 2HD PRO 87 -7.267 -12.552 0.380 638 H ASP 88 H ASP 88 -9.202 -10.472 2.779 639 HA ASP 88 HA ASP 88 -10.359 -8.396 4.038 640 1HB ASP 88 1HB ASP 88 -9.815 -11.232 4.810 641 2HB ASP 88 2HB ASP 88 -10.260 -10.164 6.131 642 H GLY 89 H GLY 89 -7.190 -9.730 4.734 643 1HA GLY 89 1HA GLY 89 -5.429 -8.767 5.799 644 2HA GLY 89 2HA GLY 89 -6.513 -7.455 6.392 645 H HIS 90 H HIS 90 -8.128 -10.151 7.041 646 HA HIS 90 HA HIS 90 -7.675 -10.019 9.833 647 1HB HIS 90 1HB HIS 90 -9.245 -11.822 10.034 648 2HB HIS 90 2HB HIS 90 -9.802 -10.749 8.754 649 HD1 HIS 90 HD1 HIS 90 -10.736 -12.005 6.767 650 HD2 HIS 90 HD2 HIS 90 -7.676 -14.108 8.801 651 HE1 HIS 90 HE1 HIS 90 -10.413 -14.267 5.532 652 HE2 HIS 90 HE2 HIS 90 -8.527 -15.510 6.739 653 H ASP 91 H ASP 91 -6.218 -10.982 11.099 654 HA ASP 91 HA ASP 91 -3.975 -12.332 10.019 655 1HB ASP 91 1HB ASP 91 -4.109 -11.014 12.208 656 2HB ASP 91 2HB ASP 91 -4.990 -12.380 12.903 657 H TYR 92 H TYR 92 -4.827 -14.088 8.785 658 HA TYR 92 HA TYR 92 -6.603 -15.999 9.261 659 1HB TYR 92 1HB TYR 92 -5.129 -16.006 7.364 660 2HB TYR 92 2HB TYR 92 -3.729 -16.186 8.305 661 HD1 TYR 92 HD1 TYR 92 -6.956 -18.136 8.518 662 HD2 TYR 92 HD2 TYR 92 -2.749 -18.185 7.566 663 HE1 TYR 92 HE1 TYR 92 -7.011 -20.596 8.350 664 HE2 TYR 92 HE2 TYR 92 -2.846 -20.690 7.358 665 HH TYR 92 HH TYR 92 -4.147 -22.511 7.965 666 H LYS 93 H LYS 93 -6.872 -17.856 10.485 667 HA LYS 93 HA LYS 93 -5.366 -17.929 12.980 668 1HB LYS 93 1HB LYS 93 -6.952 -19.863 13.424 669 2HB LYS 93 2HB LYS 93 -7.669 -18.257 13.240 670 1HG LYS 93 1HG LYS 93 -8.543 -18.741 11.084 671 2HG LYS 93 2HG LYS 93 -7.457 -20.118 10.838 672 1HD LYS 93 1HD LYS 93 -9.761 -20.846 11.319 673 2HD LYS 93 2HD LYS 93 -8.623 -21.394 12.568 674 1HE LYS 93 1HE LYS 93 -9.965 -18.768 12.989 675 2HE LYS 93 2HE LYS 93 -11.048 -20.173 13.001 676 1HZ LYS 93 1HZ LYS 93 -9.464 -19.347 15.088 677 2HZ LYS 93 2HZ LYS 93 -10.213 -20.814 14.972 678 3HZ LYS 93 3HZ LYS 93 -8.648 -20.634 14.496 679 H PHE 94 H PHE 94 -3.431 -18.243 11.470 680 HA PHE 94 HA PHE 94 -2.983 -20.958 10.515 681 1HB PHE 94 1HB PHE 94 -0.647 -20.022 10.130 682 2HB PHE 94 2HB PHE 94 -1.912 -19.204 9.296 683 HD1 PHE 94 HD1 PHE 94 -2.505 -16.934 9.764 684 HD2 PHE 94 HD2 PHE 94 0.421 -18.938 12.125 685 HE1 PHE 94 HE1 PHE 94 -1.929 -14.781 10.776 686 HE2 PHE 94 HE2 PHE 94 1.076 -16.731 13.141 687 HZ PHE 94 HZ PHE 94 -0.112 -14.647 12.460 688 H ASP 95 H ASP 95 -2.837 -19.351 13.530 689 HA ASP 95 HA ASP 95 -0.677 -21.017 14.602 690 1HB ASP 95 1HB ASP 95 -1.490 -19.788 16.747 691 2HB ASP 95 2HB ASP 95 -0.533 -18.911 15.544 692 H SER 96 H SER 96 -4.192 -20.644 14.678 693 HA SER 96 HA SER 96 -4.513 -22.691 16.730 694 1HB SER 96 1HB SER 96 -6.486 -21.141 15.026 695 2HB SER 96 2HB SER 96 -6.978 -22.409 16.162 696 HG SER 96 HG SER 96 -5.837 -21.107 17.789 697 H LYS 97 H LYS 97 -4.095 -24.700 16.188 698 HA LYS 97 HA LYS 97 -4.177 -25.760 13.536 699 1HB LYS 97 1HB LYS 97 -3.561 -27.787 14.484 700 2HB LYS 97 2HB LYS 97 -3.057 -26.650 15.734 701 1HG LYS 97 1HG LYS 97 -5.142 -27.120 16.998 702 2HG LYS 97 2HG LYS 97 -5.645 -28.259 15.712 703 1HD LYS 97 1HD LYS 97 -4.806 -29.444 17.576 704 2HD LYS 97 2HD LYS 97 -3.866 -29.729 16.089 705 1HE LYS 97 1HE LYS 97 -1.986 -28.668 16.866 706 2HE LYS 97 2HE LYS 97 -2.895 -27.461 17.786 707 1HZ LYS 97 1HZ LYS 97 -1.636 -29.552 18.895 708 2HZ LYS 97 2HZ LYS 97 -2.885 -28.740 19.607 709 3HZ LYS 97 3HZ LYS 97 -3.171 -30.139 18.788 710 H LYS 98 H LYS 98 -6.568 -25.979 16.161 711 HA LYS 98 HA LYS 98 -8.542 -26.341 14.149 712 1HB LYS 98 1HB LYS 98 -7.894 -28.369 16.181 713 2HB LYS 98 2HB LYS 98 -9.606 -28.042 15.929 714 1HG LYS 98 1HG LYS 98 -8.333 -28.185 13.287 715 2HG LYS 98 2HG LYS 98 -7.762 -29.531 14.246 716 1HD LYS 98 1HD LYS 98 -10.485 -29.614 14.794 717 2HD LYS 98 2HD LYS 98 -10.484 -28.850 13.201 718 1HE LYS 98 1HE LYS 98 -8.640 -30.978 12.959 719 2HE LYS 98 2HE LYS 98 -9.861 -31.624 14.068 720 1HZ LYS 98 1HZ LYS 98 -11.088 -31.990 12.241 721 2HZ LYS 98 2HZ LYS 98 -11.276 -30.368 12.077 722 3HZ LYS 98 3HZ LYS 98 -10.068 -31.135 11.270 723 HA PRO 99 HA PRO 99 -10.507 -26.100 13.802 724 1HB PRO 99 1HB PRO 99 -11.982 -23.967 12.926 725 2HB PRO 99 2HB PRO 99 -12.575 -25.374 13.876 726 1HG PRO 99 1HG PRO 99 -12.078 -22.576 14.765 727 2HG PRO 99 2HG PRO 99 -13.122 -23.842 15.503 728 1HD PRO 99 1HD PRO 99 -10.490 -23.006 16.353 729 2HD PRO 99 2HD PRO 99 -11.472 -24.343 17.026 730 H LYS 100 H LYS 100 -10.408 -24.982 11.513 731 HA LYS 100 HA LYS 100 -8.262 -22.986 11.332 732 1HB LYS 100 1HB LYS 100 -6.783 -24.603 11.220 733 2HB LYS 100 2HB LYS 100 -7.914 -25.856 10.691 734 1HG LYS 100 1HG LYS 100 -7.818 -25.269 8.465 735 2HG LYS 100 2HG LYS 100 -7.244 -23.619 8.768 736 1HD LYS 100 1HD LYS 100 -5.217 -24.145 8.723 737 2HD LYS 100 2HD LYS 100 -5.284 -25.459 9.829 738 1HE LYS 100 1HE LYS 100 -4.436 -26.227 7.667 739 2HE LYS 100 2HE LYS 100 -6.036 -26.931 8.016 740 1HZ LYS 100 1HZ LYS 100 -5.429 -24.708 6.157 741 2HZ LYS 100 2HZ LYS 100 -6.150 -26.179 5.800 742 3HZ LYS 100 3HZ LYS 100 -6.941 -25.012 6.660 743 H GLU 101 H GLU 101 -8.645 -21.581 9.765 744 HA GLU 101 HA GLU 101 -11.037 -22.010 8.100 745 1HB GLU 101 1HB GLU 101 -10.979 -19.941 9.123 746 2HB GLU 101 2HB GLU 101 -9.284 -19.613 8.758 747 1HG GLU 101 1HG GLU 101 -9.658 -19.125 6.519 748 2HG GLU 101 2HG GLU 101 -11.205 -20.000 6.440 749 H ASN 102 H ASN 102 -11.030 -21.909 5.854 750 HA ASN 102 HA ASN 102 -9.143 -23.328 4.539 751 1HB ASN 102 1HB ASN 102 -11.495 -21.877 3.823 752 2HB ASN 102 2HB ASN 102 -10.214 -21.255 2.784 753 1HD2 ASN 102 1HD2 ASN 102 -10.776 -22.153 0.905 754 2HD2 ASN 102 2HD2 ASN 102 -10.839 -23.900 0.616 755 HA PRO 103 HA PRO 103 -5.743 -20.538 4.158 756 1HB PRO 103 1HB PRO 103 -4.302 -21.880 2.148 757 2HB PRO 103 2HB PRO 103 -4.311 -22.262 3.886 758 1HG PRO 103 1HG PRO 103 -5.650 -23.655 1.612 759 2HG PRO 103 2HG PRO 103 -5.193 -24.290 3.236 760 1HD PRO 103 1HD PRO 103 -7.795 -23.457 2.330 761 2HD PRO 103 2HD PRO 103 -7.313 -23.980 3.965 762 H GLY 104 H GLY 104 -4.325 -19.964 1.815 763 1HA GLY 104 1HA GLY 104 -6.346 -18.826 -0.005 764 2HA GLY 104 2HA GLY 104 -5.111 -17.754 0.723 765 HA PRO 105 HA PRO 105 -3.478 -20.032 -3.093 766 1HB PRO 105 1HB PRO 105 -4.033 -18.146 -5.098 767 2HB PRO 105 2HB PRO 105 -5.015 -19.592 -4.728 768 1HG PRO 105 1HG PRO 105 -5.583 -16.753 -4.139 769 2HG PRO 105 2HG PRO 105 -6.721 -18.127 -4.228 770 1HD PRO 105 1HD PRO 105 -5.665 -16.883 -1.852 771 2HD PRO 105 2HD PRO 105 -6.695 -18.333 -1.972 772 H ALA 106 H ALA 106 -3.555 -16.417 -3.270 773 HA ALA 106 HA ALA 106 -0.823 -16.206 -3.900 774 1HB ALA 106 1HB ALA 106 -2.716 -14.295 -2.618 775 2HB ALA 106 2HB ALA 106 -1.169 -13.819 -3.252 776 3HB ALA 106 3HB ALA 106 -2.365 -14.462 -4.384 777 H ARG 107 H ARG 107 0.989 -15.944 -2.715 778 HA ARG 107 HA ARG 107 0.741 -15.764 0.191 779 1HB ARG 107 1HB ARG 107 2.283 -18.002 -1.252 780 2HB ARG 107 2HB ARG 107 2.404 -17.625 0.464 781 1HG ARG 107 1HG ARG 107 -0.302 -17.938 0.216 782 2HG ARG 107 2HG ARG 107 0.213 -18.973 -1.052 783 1HD ARG 107 1HD ARG 107 1.739 -19.357 1.451 784 2HD ARG 107 2HD ARG 107 0.024 -19.498 1.700 785 HE ARG 107 HE ARG 107 1.703 -21.211 0.014 786 1HH1 ARG 107 2HH2 ARG 107 -1.523 -20.343 0.857 787 2HH1 ARG 107 1HH2 ARG 107 -2.258 -21.741 0.300 788 1HH2 ARG 107 2HH1 ARG 107 0.786 -23.169 -0.677 789 2HH2 ARG 107 1HH1 ARG 107 -0.925 -23.402 -0.514 790 H VAL 108 H VAL 108 2.580 -15.005 1.252 791 HA VAL 108 HA VAL 108 4.323 -13.396 -0.515 792 HB VAL 108 HB VAL 108 3.331 -12.243 1.294 793 1HG1 VAL 108 1HG1 VAL 108 4.324 -14.486 3.041 794 2HG1 VAL 108 2HG1 VAL 108 3.989 -12.953 3.694 795 3HG1 VAL 108 3HG1 VAL 108 2.682 -13.829 2.879 796 1HG2 VAL 108 1HG2 VAL 108 6.057 -12.592 2.472 797 2HG2 VAL 108 2HG2 VAL 108 5.956 -12.169 0.758 798 3HG2 VAL 108 3HG2 VAL 108 5.185 -11.132 1.985 799 H ILE 109 H ILE 109 6.145 -14.194 -1.254 800 HA ILE 109 HA ILE 109 7.464 -16.413 0.238 801 HB ILE 109 HB ILE 109 7.449 -15.518 -2.629 802 1HG1 ILE 109 1HG1 ILE 109 6.703 -17.670 -3.064 803 2HG1 ILE 109 2HG1 ILE 109 7.156 -18.337 -1.506 804 1HG2 ILE 109 1HG2 ILE 109 9.353 -17.458 -1.381 805 2HG2 ILE 109 2HG2 ILE 109 9.262 -17.020 -3.113 806 3HG2 ILE 109 3HG2 ILE 109 9.768 -15.828 -2.004 807 1HD1 ILE 109 1HD1 ILE 109 5.410 -17.124 -0.420 808 2HD1 ILE 109 2HD1 ILE 109 5.037 -16.249 -1.900 809 3HD1 ILE 109 3HD1 ILE 109 4.655 -17.958 -1.721 810 H TYR 110 H TYR 110 9.163 -16.060 1.395 811 HA TYR 110 HA TYR 110 10.990 -13.840 0.672 812 1HB TYR 110 1HB TYR 110 10.887 -13.009 2.978 813 2HB TYR 110 2HB TYR 110 9.274 -12.972 2.266 814 HD1 TYR 110 HD1 TYR 110 7.464 -13.992 3.409 815 HD2 TYR 110 HD2 TYR 110 11.458 -15.167 4.423 816 HE1 TYR 110 HE1 TYR 110 6.621 -15.347 5.328 817 HE2 TYR 110 HE2 TYR 110 10.651 -16.534 6.274 818 HH TYR 110 HH TYR 110 7.201 -16.998 6.801 819 H THR 111 H THR 111 13.031 -13.963 1.813 820 HA THR 111 HA THR 111 13.805 -16.781 2.297 821 HB THR 111 HB THR 111 15.962 -16.096 1.671 822 HG1 THR 111 HG1 THR 111 16.198 -14.380 3.141 823 1HG2 THR 111 1HG2 THR 111 14.310 -13.905 0.278 824 2HG2 THR 111 2HG2 THR 111 15.792 -14.686 -0.175 825 3HG2 THR 111 3HG2 THR 111 14.312 -15.584 -0.211 826 H TYR 112 H TYR 112 15.347 -17.267 4.007 827 HA TYR 112 HA TYR 112 14.598 -15.748 6.383 828 1HB TYR 112 1HB TYR 112 13.676 -17.823 6.616 829 2HB TYR 112 2HB TYR 112 15.038 -18.619 5.829 830 HD1 TYR 112 HD1 TYR 112 13.508 -18.152 8.916 831 HD2 TYR 112 HD2 TYR 112 17.412 -18.368 7.178 832 HE1 TYR 112 HE1 TYR 112 14.540 -18.692 11.156 833 HE2 TYR 112 HE2 TYR 112 18.403 -18.936 9.305 834 HH TYR 112 HH TYR 112 17.591 -18.259 11.963 835 HA PRO 113 HA PRO 113 15.192 -15.920 8.500 836 1HB PRO 113 1HB PRO 113 16.261 -14.095 10.219 837 2HB PRO 113 2HB PRO 113 16.461 -15.874 10.340 838 1HG PRO 113 1HG PRO 113 18.438 -13.825 9.471 839 2HG PRO 113 2HG PRO 113 18.719 -15.492 10.082 840 1HD PRO 113 1HD PRO 113 18.802 -14.609 7.321 841 2HD PRO 113 2HD PRO 113 18.941 -16.268 7.925 842 H ASN 114 H ASN 114 17.049 -13.019 7.700 843 HA ASN 114 HA ASN 114 15.124 -11.109 7.938 844 1HB ASN 114 1HB ASN 114 17.627 -11.094 6.886 845 2HB ASN 114 2HB ASN 114 16.754 -11.090 5.367 846 1HD2 ASN 114 1HD2 ASN 114 18.340 -9.071 6.860 847 2HD2 ASN 114 2HD2 ASN 114 17.318 -7.626 6.892 848 H LYS 115 H LYS 115 13.068 -11.142 7.244 849 HA LYS 115 HA LYS 115 12.127 -12.819 5.155 850 1HB LYS 115 1HB LYS 115 11.023 -11.035 7.185 851 2HB LYS 115 2HB LYS 115 10.132 -10.777 5.710 852 1HG LYS 115 1HG LYS 115 9.270 -12.816 5.604 853 2HG LYS 115 2HG LYS 115 10.647 -13.601 6.446 854 1HD LYS 115 1HD LYS 115 8.514 -11.924 7.744 855 2HD LYS 115 2HD LYS 115 8.575 -13.697 7.746 856 1HE LYS 115 1HE LYS 115 9.844 -13.545 9.628 857 2HE LYS 115 2HE LYS 115 11.146 -13.050 8.545 858 1HZ LYS 115 1HZ LYS 115 11.094 -11.322 9.997 859 2HZ LYS 115 2HZ LYS 115 10.028 -10.750 8.876 860 3HZ LYS 115 3HZ LYS 115 9.454 -11.429 10.276 861 H VAL 116 H VAL 116 13.747 -12.105 3.618 862 HA VAL 116 HA VAL 116 13.626 -9.523 2.391 863 HB VAL 116 HB VAL 116 14.830 -12.158 1.609 864 1HG1 VAL 116 1HG1 VAL 116 16.055 -10.571 -0.184 865 2HG1 VAL 116 2HG1 VAL 116 14.634 -11.547 -0.529 866 3HG1 VAL 116 3HG1 VAL 116 14.409 -9.831 -0.112 867 1HG2 VAL 116 1HG2 VAL 116 15.702 -10.082 3.281 868 2HG2 VAL 116 2HG2 VAL 116 16.698 -11.378 2.618 869 3HG2 VAL 116 3HG2 VAL 116 16.597 -9.815 1.792 870 H PHE 117 H PHE 117 11.210 -9.605 2.394 871 HA PHE 117 HA PHE 117 9.534 -11.126 0.899 872 1HB PHE 117 1HB PHE 117 8.640 -9.348 2.218 873 2HB PHE 117 2HB PHE 117 9.716 -8.157 1.473 874 HD1 PHE 117 HD1 PHE 117 6.834 -10.326 0.734 875 HD2 PHE 117 HD2 PHE 117 9.073 -6.864 -0.389 876 HE1 PHE 117 HE1 PHE 117 5.046 -9.753 -0.921 877 HE2 PHE 117 HE2 PHE 117 7.313 -6.230 -2.031 878 HZ PHE 117 HZ PHE 117 5.369 -7.727 -2.301 879 H CYS 118 H CYS 118 9.907 -11.911 -1.091 880 HA CYS 118 HA CYS 118 11.322 -10.261 -3.053 881 1HB CYS 118 1HB CYS 118 11.171 -12.983 -2.558 882 2HB CYS 118 2HB CYS 118 10.094 -12.821 -3.952 883 H GLY 119 H GLY 119 8.133 -11.953 -2.811 884 1HA GLY 119 1HA GLY 119 6.617 -9.793 -3.692 885 2HA GLY 119 2HA GLY 119 6.987 -10.825 -5.112 886 H ILE 120 H ILE 120 4.908 -11.620 -5.433 887 HA ILE 120 HA ILE 120 3.889 -13.362 -3.222 888 HB ILE 120 HB ILE 120 2.121 -11.752 -5.076 889 1HG1 ILE 120 1HG1 ILE 120 3.657 -10.378 -3.271 890 2HG1 ILE 120 2HG1 ILE 120 2.094 -10.022 -3.795 891 1HG2 ILE 120 1HG2 ILE 120 1.550 -13.176 -2.453 892 2HG2 ILE 120 2HG2 ILE 120 0.382 -12.331 -3.498 893 3HG2 ILE 120 3HG2 ILE 120 1.169 -13.851 -3.992 894 1HD1 ILE 120 1HD1 ILE 120 1.097 -10.966 -1.844 895 2HD1 ILE 120 2HD1 ILE 120 2.725 -11.570 -1.353 896 3HD1 ILE 120 3HD1 ILE 120 2.355 -9.810 -1.471 897 H ILE 121 H ILE 121 3.109 -15.305 -3.857 898 HA ILE 121 HA ILE 121 3.298 -15.898 -6.800 899 HB ILE 121 HB ILE 121 4.541 -17.779 -6.468 900 1HG1 ILE 121 1HG1 ILE 121 3.821 -17.733 -3.508 901 2HG1 ILE 121 2HG1 ILE 121 3.098 -18.777 -4.631 902 1HG2 ILE 121 1HG2 ILE 121 5.825 -15.710 -5.913 903 2HG2 ILE 121 2HG2 ILE 121 5.600 -16.062 -4.192 904 3HG2 ILE 121 3HG2 ILE 121 6.543 -17.129 -5.208 905 1HD1 ILE 121 1HD1 ILE 121 5.867 -19.110 -4.982 906 2HD1 ILE 121 2HD1 ILE 121 5.436 -19.366 -3.257 907 3HD1 ILE 121 3HD1 ILE 121 4.716 -20.269 -4.504 908 H ALA 122 H ALA 122 2.016 -17.715 -7.469 909 HA ALA 122 HA ALA 122 0.144 -19.031 -5.802 910 1HB ALA 122 1HB ALA 122 -1.797 -17.769 -5.862 911 2HB ALA 122 2HB ALA 122 -0.678 -16.441 -5.948 912 3HB ALA 122 3HB ALA 122 -1.363 -17.058 -7.440 913 H HIS 123 H HIS 123 -1.430 -20.260 -7.101 914 HA HIS 123 HA HIS 123 -0.269 -20.894 -9.711 915 1HB HIS 123 1HB HIS 123 -2.525 -22.477 -8.432 916 2HB HIS 123 2HB HIS 123 -1.251 -22.994 -9.521 917 HD1 HIS 123 HD1 HIS 123 0.651 -24.286 -8.435 918 HD2 HIS 123 HD2 HIS 123 -1.456 -21.714 -5.775 919 HE1 HIS 123 HE1 HIS 123 1.629 -24.677 -6.071 920 HE2 HIS 123 HE2 HIS 123 0.388 -23.048 -4.478 921 H THR 124 H THR 124 -0.915 -19.352 -11.074 922 HA THR 124 HA THR 124 -3.849 -18.857 -11.305 923 HB THR 124 HB THR 124 -2.099 -16.983 -11.070 924 HG1 THR 124 HG1 THR 124 -3.896 -17.093 -13.234 925 1HG2 THR 124 1HG2 THR 124 -1.916 -17.009 -14.050 926 2HG2 THR 124 2HG2 THR 124 -0.912 -16.277 -12.880 927 3HG2 THR 124 3HG2 THR 124 -0.801 -18.080 -13.171 928 H LYS 125 H LYS 125 -3.134 -21.329 -12.061 929 HA LYS 125 HA LYS 125 -3.191 -21.202 -15.082 930 1HB LYS 125 1HB LYS 125 -1.199 -22.313 -14.269 931 2HB LYS 125 2HB LYS 125 -2.150 -23.397 -13.242 932 1HG LYS 125 1HG LYS 125 -2.681 -24.758 -14.951 933 2HG LYS 125 2HG LYS 125 -3.075 -23.445 -16.063 934 1HD LYS 125 1HD LYS 125 -0.814 -23.026 -16.655 935 2HD LYS 125 2HD LYS 125 -0.220 -24.211 -15.469 936 1HE LYS 125 1HE LYS 125 -2.041 -24.852 -17.844 937 2HE LYS 125 2HE LYS 125 -0.284 -25.105 -17.811 938 1HZ LYS 125 1HZ LYS 125 -2.275 -26.799 -16.794 939 2HZ LYS 125 2HZ LYS 125 -0.633 -27.038 -16.777 940 3HZ LYS 125 3HZ LYS 125 -1.373 -26.291 -15.530 941 H GLU 126 H GLU 126 -4.825 -22.203 -12.157 942 HA GLU 126 HA GLU 126 -7.271 -22.432 -13.492 943 1HB GLU 126 1HB GLU 126 -5.659 -24.839 -13.680 944 2HB GLU 126 2HB GLU 126 -6.900 -25.147 -12.497 945 1HG GLU 126 1HG GLU 126 -8.356 -23.855 -14.497 946 2HG GLU 126 2HG GLU 126 -7.124 -24.714 -15.425 947 H ASN 127 H ASN 127 -5.695 -24.243 -10.846 948 HA ASN 127 HA ASN 127 -7.049 -22.626 -8.858 949 1HB ASN 127 1HB ASN 127 -8.184 -25.185 -9.756 950 2HB ASN 127 2HB ASN 127 -7.584 -25.381 -8.111 951 1HD2 ASN 127 1HD2 ASN 127 -10.049 -25.756 -8.168 952 2HD2 ASN 127 2HD2 ASN 127 -10.980 -24.343 -7.642 953 H GLN 128 H GLN 128 -5.194 -25.579 -9.521 954 HA GLN 128 HA GLN 128 -3.107 -24.715 -7.751 955 1HB GLN 128 1HB GLN 128 -5.174 -26.653 -6.852 956 2HB GLN 128 2HB GLN 128 -3.585 -27.348 -6.764 957 1HG GLN 128 1HG GLN 128 -3.550 -24.584 -5.725 958 2HG GLN 128 2HG GLN 128 -4.722 -25.604 -4.914 959 1HE2 GLN 128 1HE2 GLN 128 -3.415 -25.375 -3.077 960 2HE2 GLN 128 2HE2 GLN 128 -1.942 -26.381 -2.895 961 H GLY 129 H GLY 129 -2.171 -24.691 -9.870 962 1HA GLY 129 1HA GLY 129 -1.235 -27.434 -10.701 963 2HA GLY 129 2HA GLY 129 -1.592 -26.127 -11.850 964 H GLU 130 H GLU 130 -0.001 -24.710 -12.354 965 HA GLU 130 HA GLU 130 2.622 -25.194 -11.129 966 1HB GLU 130 1HB GLU 130 1.604 -24.184 -13.710 967 2HB GLU 130 2HB GLU 130 2.819 -23.103 -13.038 968 1HG GLU 130 1HG GLU 130 4.068 -24.668 -14.281 969 2HG GLU 130 2HG GLU 130 4.284 -25.169 -12.600 970 H LEU 131 H LEU 131 4.037 -23.340 -10.549 971 HA LEU 131 HA LEU 131 2.419 -21.221 -9.203 972 1HB LEU 131 1HB LEU 131 4.281 -23.154 -8.121 973 2HB LEU 131 2HB LEU 131 5.047 -21.559 -8.026 974 HG LEU 131 HG LEU 131 2.276 -22.192 -6.999 975 1HD1 LEU 131 1HD1 LEU 131 3.477 -21.940 -4.720 976 2HD1 LEU 131 2HD1 LEU 131 3.716 -23.449 -5.592 977 3HD1 LEU 131 3HD1 LEU 131 4.955 -22.224 -5.678 978 1HD2 LEU 131 1HD2 LEU 131 2.222 -20.138 -5.987 979 2HD2 LEU 131 2HD2 LEU 131 3.936 -19.846 -6.487 980 3HD2 LEU 131 3HD2 LEU 131 2.706 -19.822 -7.654 981 H LYS 132 H LYS 132 3.046 -19.150 -9.439 982 HA LYS 132 HA LYS 132 5.528 -18.468 -10.858 983 1HB LYS 132 1HB LYS 132 4.221 -17.108 -12.495 984 2HB LYS 132 2HB LYS 132 4.179 -18.826 -12.751 985 1HG LYS 132 1HG LYS 132 1.912 -18.810 -12.729 986 2HG LYS 132 2HG LYS 132 1.909 -18.291 -11.064 987 1HD LYS 132 1HD LYS 132 0.857 -16.508 -11.767 988 2HD LYS 132 2HD LYS 132 2.424 -15.875 -12.119 989 1HE LYS 132 1HE LYS 132 0.824 -17.479 -14.175 990 2HE LYS 132 2HE LYS 132 0.754 -15.722 -14.046 991 1HZ LYS 132 1HZ LYS 132 2.377 -16.093 -15.618 992 2HZ LYS 132 2HZ LYS 132 3.269 -15.883 -14.244 993 3HZ LYS 132 3HZ LYS 132 3.028 -17.407 -14.836 994 H LEU 133 H LEU 133 5.499 -15.990 -11.156 995 HA LEU 133 HA LEU 133 5.034 -14.941 -8.441 996 1HB LEU 133 1HB LEU 133 7.169 -14.622 -9.947 997 2HB LEU 133 2HB LEU 133 6.233 -13.439 -10.801 998 HG LEU 133 HG LEU 133 5.877 -12.303 -8.507 999 1HD1 LEU 133 1HD1 LEU 133 7.679 -12.862 -6.819 1000 2HD1 LEU 133 2HD1 LEU 133 6.381 -14.003 -6.960 1001 3HD1 LEU 133 3HD1 LEU 133 7.900 -14.348 -7.775 1002 1HD2 LEU 133 1HD2 LEU 133 8.806 -12.183 -8.866 1003 2HD2 LEU 133 2HD2 LEU 133 7.919 -12.051 -10.380 1004 3HD2 LEU 133 3HD2 LEU 133 7.549 -10.940 -9.065 1005 H CYS 134 H CYS 134 3.563 -13.396 -7.933 1006 HA CYS 134 HA CYS 134 1.229 -13.060 -9.567 1007 1HB CYS 134 1HB CYS 134 2.130 -11.541 -7.097 1008 2HB CYS 134 2HB CYS 134 0.533 -11.549 -7.760 1009 H SER 135 H SER 135 0.519 -10.409 -9.446 1010 HA SER 135 HA SER 135 2.672 -8.741 -10.413 1011 1HB SER 135 1HB SER 135 0.510 -9.722 -12.401 1012 2HB SER 135 2HB SER 135 1.714 -8.438 -12.687 1013 HG SER 135 HG SER 135 2.982 -9.991 -13.328 1014 H HIS 136 H HIS 136 2.009 -6.934 -9.473 1015 HA HIS 136 HA HIS 136 -0.330 -6.302 -8.289 1016 1HB HIS 136 1HB HIS 136 1.145 -4.132 -9.765 1017 2HB HIS 136 2HB HIS 136 0.369 -4.122 -8.216 1018 HD1 HIS 136 HD1 HIS 136 3.570 -4.726 -10.005 1019 HD2 HIS 136 HD2 HIS 136 1.942 -5.417 -6.178 1020 HE1 HIS 136 HE1 HIS 136 5.600 -5.259 -8.430 1021 HE2 HIS 136 HE2 HIS 136 4.574 -5.638 -6.082 Start of MODEL 3 1 1H ALA 1 H1 ALA 1 1.547 0.868 0.532 2 2H ALA 1 H2 ALA 1 1.545 -0.798 0.563 3 3H ALA 1 H3 ALA 1 0.338 -0.007 -0.175 4 HA ALA 1 HA ALA 1 2.678 -0.907 -1.294 5 1HB ALA 1 1HB ALA 1 1.010 0.928 -2.950 6 2HB ALA 1 2HB ALA 1 1.433 -0.779 -3.175 7 3HB ALA 1 3HB ALA 1 0.086 -0.307 -2.111 8 H VAL 2 H VAL 2 4.493 0.133 -0.366 9 HA VAL 2 HA VAL 2 4.713 3.058 -0.974 10 HB VAL 2 HB VAL 2 4.884 2.268 1.411 11 1HG1 VAL 2 1HG1 VAL 2 7.006 1.235 2.111 12 2HG1 VAL 2 2HG1 VAL 2 6.046 0.144 1.099 13 3HG1 VAL 2 3HG1 VAL 2 7.448 0.996 0.413 14 1HG2 VAL 2 1HG2 VAL 2 5.754 4.368 1.165 15 2HG2 VAL 2 2HG2 VAL 2 7.192 3.510 1.675 16 3HG2 VAL 2 3HG2 VAL 2 6.967 3.910 -0.027 17 H THR 3 H THR 3 6.501 3.786 -2.084 18 HA THR 3 HA THR 3 7.694 1.829 -3.904 19 HB THR 3 HB THR 3 7.996 4.870 -3.816 20 HG1 THR 3 HG1 THR 3 6.128 3.138 -5.032 21 1HG2 THR 3 1HG2 THR 3 9.492 3.951 -5.396 22 2HG2 THR 3 2HG2 THR 3 8.392 2.674 -5.854 23 3HG2 THR 3 3HG2 THR 3 8.017 4.320 -6.360 24 H TRP 4 H TRP 4 9.616 0.876 -3.559 25 HA TRP 4 HA TRP 4 11.286 1.778 -1.322 26 1HB TRP 4 1HB TRP 4 11.503 -0.579 -3.229 27 2HB TRP 4 2HB TRP 4 12.455 -0.228 -1.825 28 HD1 TRP 4 HD1 TRP 4 8.619 -0.552 -2.380 29 HE1 TRP 4 HE1 TRP 4 7.657 -1.971 -0.443 30 HE3 TRP 4 HE3 TRP 4 12.905 -1.522 0.182 31 HZ2 TRP 4 HZ2 TRP 4 8.617 -3.338 1.863 32 HZ3 TRP 4 HZ3 TRP 4 12.915 -2.947 2.183 33 HH2 TRP 4 HH2 TRP 4 10.764 -3.901 3.041 34 H THR 5 H THR 5 13.222 2.745 -1.523 35 HA THR 5 HA THR 5 14.226 3.222 -4.302 36 HB THR 5 HB THR 5 13.313 5.162 -2.257 37 HG1 THR 5 HG1 THR 5 13.940 5.184 -4.984 38 1HG2 THR 5 1HG2 THR 5 14.951 6.882 -3.090 39 2HG2 THR 5 2HG2 THR 5 15.677 5.684 -1.999 40 3HG2 THR 5 3HG2 THR 5 15.923 5.574 -3.782 41 H CYS 6 H CYS 6 16.325 3.147 -4.595 42 HA CYS 6 HA CYS 6 18.082 2.699 -2.210 43 1HB CYS 6 1HB CYS 6 17.364 0.736 -4.264 44 2HB CYS 6 2HB CYS 6 19.056 1.069 -4.264 45 H GLY 7 H GLY 7 17.834 5.135 -3.268 46 1HA GLY 7 1HA GLY 7 20.170 6.269 -3.670 47 2HA GLY 7 2HA GLY 7 20.025 5.488 -5.270 48 H GLY 8 H GLY 8 18.714 6.332 -6.782 49 1HA GLY 8 1HA GLY 8 17.022 8.719 -6.081 50 2HA GLY 8 2HA GLY 8 18.153 8.746 -7.454 51 H LEU 9 H LEU 9 16.884 5.633 -7.114 52 HA LEU 9 HA LEU 9 14.847 6.172 -9.210 53 1HB LEU 9 1HB LEU 9 15.882 3.434 -8.937 54 2HB LEU 9 2HB LEU 9 15.543 4.384 -10.369 55 HG LEU 9 HG LEU 9 18.077 4.768 -8.669 56 1HD1 LEU 9 1HD1 LEU 9 17.472 2.783 -10.782 57 2HD1 LEU 9 2HD1 LEU 9 19.069 3.566 -10.797 58 3HD1 LEU 9 3HD1 LEU 9 18.529 2.755 -9.334 59 1HD2 LEU 9 1HD2 LEU 9 18.907 5.869 -10.731 60 2HD2 LEU 9 2HD2 LEU 9 17.302 5.660 -11.484 61 3HD2 LEU 9 3HD2 LEU 9 17.502 6.708 -10.081 62 H LEU 10 H LEU 10 12.872 5.321 -8.963 63 HA LEU 10 HA LEU 10 12.191 4.322 -6.230 64 1HB LEU 10 1HB LEU 10 10.814 5.949 -8.367 65 2HB LEU 10 2HB LEU 10 9.831 4.795 -7.528 66 HG LEU 10 HG LEU 10 10.503 5.794 -5.316 67 1HD1 LEU 10 1HD1 LEU 10 11.817 7.719 -5.113 68 2HD1 LEU 10 2HD1 LEU 10 12.731 6.672 -6.162 69 3HD1 LEU 10 3HD1 LEU 10 11.880 7.993 -6.896 70 1HD2 LEU 10 1HD2 LEU 10 8.659 6.773 -7.143 71 2HD2 LEU 10 2HD2 LEU 10 8.825 7.297 -5.463 72 3HD2 LEU 10 3HD2 LEU 10 9.601 8.216 -6.757 73 H TYR 11 H TYR 11 10.798 2.566 -5.999 74 HA TYR 11 HA TYR 11 10.506 0.690 -8.290 75 1HB TYR 11 1HB TYR 11 11.827 0.062 -5.620 76 2HB TYR 11 2HB TYR 11 11.477 -1.076 -6.879 77 HD1 TYR 11 HD1 TYR 11 13.981 1.045 -5.501 78 HD2 TYR 11 HD2 TYR 11 12.473 -0.424 -9.267 79 HE1 TYR 11 HE1 TYR 11 16.150 1.605 -6.603 80 HE2 TYR 11 HE2 TYR 11 14.695 -0.005 -10.308 81 HH TYR 11 HH TYR 11 16.730 0.740 -9.976 82 H ASN 12 H ASN 12 8.302 0.751 -8.287 83 HA ASN 12 HA ASN 12 6.686 0.877 -5.949 84 1HB ASN 12 1HB ASN 12 6.237 0.694 -8.770 85 2HB ASN 12 2HB ASN 12 5.462 -0.742 -8.103 86 1HD2 ASN 12 1HD2 ASN 12 4.498 -0.045 -5.695 87 2HD2 ASN 12 2HD2 ASN 12 3.352 1.302 -5.924 88 H GLN 13 H GLN 13 6.730 -0.535 -4.272 89 HA GLN 13 HA GLN 13 7.814 -2.947 -4.271 90 1HB GLN 13 1HB GLN 13 6.786 -1.904 -2.263 91 2HB GLN 13 2HB GLN 13 5.183 -2.238 -2.896 92 1HG GLN 13 1HG GLN 13 6.154 -3.859 -1.067 93 2HG GLN 13 2HG GLN 13 5.363 -4.579 -2.493 94 1HE2 GLN 13 1HE2 GLN 13 8.656 -3.140 -2.003 95 2HE2 GLN 13 2HE2 GLN 13 9.442 -4.601 -2.601 96 H ASN 14 H ASN 14 4.457 -2.412 -5.222 97 HA ASN 14 HA ASN 14 3.627 -5.031 -5.715 98 1HB ASN 14 1HB ASN 14 2.561 -2.620 -6.323 99 2HB ASN 14 2HB ASN 14 3.242 -2.985 -7.920 100 1HD2 ASN 14 1HD2 ASN 14 0.448 -2.843 -6.828 101 2HD2 ASN 14 2HD2 ASN 14 -0.227 -4.392 -7.371 102 H LYS 15 H LYS 15 5.781 -3.079 -7.811 103 HA LYS 15 HA LYS 15 6.127 -5.255 -9.766 104 1HB LYS 15 1HB LYS 15 6.933 -2.393 -9.450 105 2HB LYS 15 2HB LYS 15 8.131 -3.410 -10.226 106 1HG LYS 15 1HG LYS 15 6.955 -3.597 -12.108 107 2HG LYS 15 2HG LYS 15 5.445 -4.002 -11.329 108 1HD LYS 15 1HD LYS 15 6.390 -1.133 -11.177 109 2HD LYS 15 2HD LYS 15 5.628 -1.723 -12.644 110 1HE LYS 15 1HE LYS 15 3.586 -2.071 -11.779 111 2HE LYS 15 2HE LYS 15 4.186 -2.442 -10.156 112 1HZ LYS 15 1HZ LYS 15 4.484 0.285 -11.242 113 2HZ LYS 15 2HZ LYS 15 3.042 -0.153 -10.597 114 3HZ LYS 15 3HZ LYS 15 4.406 -0.166 -9.683 115 H ALA 16 H ALA 16 7.756 -4.022 -6.876 116 HA ALA 16 HA ALA 16 10.184 -5.494 -7.233 117 1HB ALA 16 1HB ALA 16 8.782 -5.010 -4.685 118 2HB ALA 16 2HB ALA 16 10.474 -5.201 -4.917 119 3HB ALA 16 3HB ALA 16 9.642 -3.677 -5.486 120 H GLU 17 H GLU 17 7.048 -6.456 -5.851 121 HA GLU 17 HA GLU 17 8.055 -9.237 -5.530 122 1HB GLU 17 1HB GLU 17 5.670 -9.615 -4.752 123 2HB GLU 17 2HB GLU 17 6.705 -8.584 -3.727 124 1HG GLU 17 1HG GLU 17 5.610 -6.629 -4.419 125 2HG GLU 17 2HG GLU 17 4.849 -7.409 -5.806 126 H SER 18 H SER 18 5.780 -7.397 -7.533 127 HA SER 18 HA SER 18 4.711 -9.651 -8.944 128 1HB SER 18 1HB SER 18 3.530 -7.498 -8.884 129 2HB SER 18 2HB SER 18 4.812 -6.795 -9.906 130 HG SER 18 HG SER 18 2.694 -7.977 -10.649 131 H ASN 19 H ASN 19 7.024 -7.062 -10.049 132 HA ASN 19 HA ASN 19 7.801 -8.172 -12.478 133 1HB ASN 19 1HB ASN 19 8.538 -5.908 -11.410 134 2HB ASN 19 2HB ASN 19 9.793 -6.915 -10.635 135 1HD2 ASN 19 1HD2 ASN 19 8.294 -6.829 -13.840 136 2HD2 ASN 19 2HD2 ASN 19 9.881 -6.704 -14.667 137 H SER 20 H SER 20 8.597 -9.154 -9.244 138 HA SER 20 HA SER 20 10.642 -11.053 -10.153 139 1HB SER 20 1HB SER 20 11.376 -10.985 -8.072 140 2HB SER 20 2HB SER 20 10.208 -9.678 -7.840 141 HG SER 20 HG SER 20 9.740 -11.051 -6.240 142 H HIS 21 H HIS 21 7.312 -11.059 -8.988 143 HA HIS 21 HA HIS 21 6.850 -13.746 -8.439 144 1HB HIS 21 1HB HIS 21 5.098 -11.557 -9.598 145 2HB HIS 21 2HB HIS 21 4.528 -13.154 -9.720 146 HD1 HIS 21 HD1 HIS 21 2.563 -12.423 -8.088 147 HD2 HIS 21 HD2 HIS 21 6.471 -12.326 -6.487 148 HE1 HIS 21 HE1 HIS 21 2.304 -12.243 -5.507 149 HE2 HIS 21 HE2 HIS 21 4.705 -12.141 -4.553 150 H HIS 22 H HIS 22 7.272 -12.212 -11.635 151 HA HIS 22 HA HIS 22 6.610 -14.572 -13.084 152 1HB HIS 22 1HB HIS 22 8.343 -12.527 -14.343 153 2HB HIS 22 2HB HIS 22 6.858 -13.258 -14.905 154 HD1 HIS 22 HD1 HIS 22 7.794 -10.166 -14.865 155 HD2 HIS 22 HD2 HIS 22 4.972 -12.071 -12.425 156 HE1 HIS 22 HE1 HIS 22 6.198 -8.311 -14.021 157 HE2 HIS 22 HE2 HIS 22 4.479 -9.486 -12.452 158 H ALA 23 H ALA 23 9.617 -13.034 -11.937 159 HA ALA 23 HA ALA 23 11.567 -14.342 -13.124 160 1HB ALA 23 1HB ALA 23 11.871 -14.323 -10.190 161 2HB ALA 23 2HB ALA 23 12.794 -13.639 -11.540 162 3HB ALA 23 3HB ALA 23 11.438 -12.753 -10.934 163 HA PRO 24 HA PRO 24 10.655 -18.607 -12.267 164 1HB PRO 24 1HB PRO 24 13.096 -19.697 -13.172 165 2HB PRO 24 2HB PRO 24 11.679 -19.244 -14.196 166 1HG PRO 24 1HG PRO 24 14.219 -17.949 -13.794 167 2HG PRO 24 2HG PRO 24 13.108 -17.736 -15.205 168 1HD PRO 24 1HD PRO 24 13.514 -15.918 -13.048 169 2HD PRO 24 2HD PRO 24 12.265 -15.859 -14.293 170 H LEU 25 H LEU 25 10.689 -19.500 -10.297 171 HA LEU 25 HA LEU 25 12.517 -18.785 -8.297 172 1HB LEU 25 1HB LEU 25 10.019 -20.152 -8.491 173 2HB LEU 25 2HB LEU 25 11.117 -21.342 -7.849 174 HG LEU 25 HG LEU 25 11.587 -20.073 -5.911 175 1HD1 LEU 25 1HD1 LEU 25 11.984 -17.931 -6.482 176 2HD1 LEU 25 2HD1 LEU 25 10.520 -17.747 -7.472 177 3HD1 LEU 25 3HD1 LEU 25 10.498 -17.783 -5.661 178 1HD2 LEU 25 1HD2 LEU 25 9.442 -21.207 -5.864 179 2HD2 LEU 25 2HD2 LEU 25 9.380 -19.722 -4.947 180 3HD2 LEU 25 3HD2 LEU 25 8.650 -19.788 -6.588 181 H SER 26 H SER 26 14.581 -19.061 -8.919 182 HA SER 26 HA SER 26 15.802 -21.597 -8.379 183 1HB SER 26 1HB SER 26 15.187 -20.833 -11.211 184 2HB SER 26 2HB SER 26 16.823 -21.418 -10.869 185 HG SER 26 HG SER 26 14.447 -22.732 -10.883 186 H ASP 27 H ASP 27 18.082 -21.371 -8.494 187 HA ASP 27 HA ASP 27 19.045 -18.719 -8.041 188 1HB ASP 27 1HB ASP 27 21.036 -20.870 -7.715 189 2HB ASP 27 2HB ASP 27 20.571 -19.605 -6.694 190 H GLY 28 H GLY 28 19.130 -17.872 -10.148 191 1HA GLY 28 1HA GLY 28 20.275 -17.372 -12.111 192 2HA GLY 28 2HA GLY 28 21.635 -18.392 -11.541 193 H LYS 29 H LYS 29 18.435 -18.499 -13.021 194 HA LYS 29 HA LYS 29 19.323 -20.718 -14.784 195 1HB LYS 29 1HB LYS 29 18.427 -21.933 -13.010 196 2HB LYS 29 2HB LYS 29 16.979 -20.911 -12.921 197 1HG LYS 29 1HG LYS 29 15.943 -21.879 -14.715 198 2HG LYS 29 2HG LYS 29 17.472 -22.277 -15.538 199 1HD LYS 29 1HD LYS 29 17.247 -24.338 -14.987 200 2HD LYS 29 2HD LYS 29 17.555 -23.882 -13.300 201 1HE LYS 29 1HE LYS 29 14.903 -23.199 -13.515 202 2HE LYS 29 2HE LYS 29 14.984 -24.511 -14.704 203 1HZ LYS 29 1HZ LYS 29 15.207 -24.619 -11.812 204 2HZ LYS 29 2HZ LYS 29 14.843 -25.848 -12.874 205 3HZ LYS 29 3HZ LYS 29 16.400 -25.414 -12.538 206 H THR 30 H THR 30 18.852 -17.847 -15.088 207 HA THR 30 HA THR 30 16.519 -17.953 -17.019 208 HB THR 30 HB THR 30 16.037 -15.783 -16.439 209 HG1 THR 30 HG1 THR 30 17.471 -14.649 -15.138 210 1HG2 THR 30 1HG2 THR 30 16.148 -17.629 -14.301 211 2HG2 THR 30 2HG2 THR 30 16.891 -16.218 -13.662 212 3HG2 THR 30 3HG2 THR 30 15.282 -16.065 -14.418 213 H GLY 31 H GLY 31 16.835 -17.144 -19.044 214 1HA GLY 31 1HA GLY 31 19.135 -17.558 -20.417 215 2HA GLY 31 2HA GLY 31 18.050 -16.255 -20.829 216 H SER 32 H SER 32 18.245 -14.434 -18.870 217 HA SER 32 HA SER 32 20.849 -13.229 -19.512 218 1HB SER 32 1HB SER 32 19.239 -11.576 -19.288 219 2HB SER 32 2HB SER 32 18.386 -12.408 -18.020 220 HG SER 32 HG SER 32 20.943 -11.499 -17.478 221 H SER 33 H SER 33 19.316 -14.317 -16.473 222 HA SER 33 HA SER 33 21.127 -15.757 -15.271 223 1HB SER 33 1HB SER 33 22.126 -12.955 -15.346 224 2HB SER 33 2HB SER 33 22.217 -13.685 -13.760 225 HG SER 33 HG SER 33 23.280 -14.670 -16.183 226 H TYR 34 H TYR 34 19.826 -12.561 -14.363 227 HA TYR 34 HA TYR 34 19.076 -13.246 -11.807 228 1HB TYR 34 1HB TYR 34 18.128 -11.158 -13.750 229 2HB TYR 34 2HB TYR 34 17.441 -11.281 -12.146 230 HD1 TYR 34 HD1 TYR 34 20.294 -10.187 -14.114 231 HD2 TYR 34 HD2 TYR 34 18.961 -11.032 -10.067 232 HE1 TYR 34 HE1 TYR 34 22.206 -8.854 -13.189 233 HE2 TYR 34 HE2 TYR 34 20.739 -9.698 -9.216 234 HH TYR 34 HH TYR 34 23.483 -8.990 -10.709 235 HA PRO 35 HA PRO 35 17.491 -12.842 -10.339 236 1HB PRO 35 1HB PRO 35 16.361 -14.460 -8.664 237 2HB PRO 35 2HB PRO 35 15.551 -13.083 -9.260 238 1HG PRO 35 1HG PRO 35 14.912 -15.910 -9.878 239 2HG PRO 35 2HG PRO 35 13.997 -14.388 -9.992 240 1HD PRO 35 1HD PRO 35 15.426 -15.822 -12.054 241 2HD PRO 35 2HD PRO 35 14.581 -14.253 -12.293 242 H HIS 36 H HIS 36 18.656 -13.877 -8.393 243 HA HIS 36 HA HIS 36 19.946 -16.433 -9.038 244 1HB HIS 36 1HB HIS 36 22.230 -15.620 -9.013 245 2HB HIS 36 2HB HIS 36 21.292 -14.885 -10.339 246 HD1 HIS 36 HD1 HIS 36 22.037 -12.524 -10.621 247 HD2 HIS 36 HD2 HIS 36 21.858 -13.704 -6.619 248 HE1 HIS 36 HE1 HIS 36 22.791 -10.472 -9.111 249 HE2 HIS 36 HE2 HIS 36 22.430 -11.320 -6.639 250 H TRP 37 H TRP 37 21.692 -16.944 -7.260 251 HA TRP 37 HA TRP 37 20.202 -16.610 -4.716 252 1HB TRP 37 1HB TRP 37 21.210 -18.718 -5.011 253 2HB TRP 37 2HB TRP 37 22.680 -18.061 -5.627 254 HD1 TRP 37 HD1 TRP 37 20.835 -17.728 -2.155 255 HE1 TRP 37 HE1 TRP 37 22.577 -17.968 -0.339 256 HE3 TRP 37 HE3 TRP 37 24.914 -18.441 -5.088 257 HZ2 TRP 37 HZ2 TRP 37 25.365 -18.460 -0.131 258 HZ3 TRP 37 HZ3 TRP 37 27.154 -18.820 -4.054 259 HH2 TRP 37 HH2 TRP 37 27.330 -18.770 -1.601 260 H PHE 38 H PHE 38 20.646 -15.208 -3.171 261 HA PHE 38 HA PHE 38 22.698 -13.150 -3.572 262 1HB PHE 38 1HB PHE 38 20.266 -12.464 -3.151 263 2HB PHE 38 2HB PHE 38 20.246 -13.384 -1.731 264 HD1 PHE 38 HD1 PHE 38 23.273 -11.392 -2.753 265 HD2 PHE 38 HD2 PHE 38 19.646 -11.502 -0.427 266 HE1 PHE 38 HE1 PHE 38 24.066 -9.455 -1.474 267 HE2 PHE 38 HE2 PHE 38 20.403 -9.492 0.838 268 HZ PHE 38 HZ PHE 38 22.678 -8.508 0.293 269 H THR 39 H THR 39 24.445 -14.477 -2.885 270 HA THR 39 HA THR 39 24.842 -16.000 -0.648 271 HB THR 39 HB THR 39 27.163 -14.804 -0.606 272 HG1 THR 39 HG1 THR 39 27.443 -13.227 -2.038 273 1HG2 THR 39 1HG2 THR 39 27.538 -16.487 -2.049 274 2HG2 THR 39 2HG2 THR 39 25.914 -16.261 -2.794 275 3HG2 THR 39 3HG2 THR 39 27.274 -15.352 -3.374 276 H ASN 40 H ASN 40 24.222 -12.520 -0.695 277 HA ASN 40 HA ASN 40 23.982 -11.007 1.049 278 1HB ASN 40 1HB ASN 40 21.965 -12.465 1.336 279 2HB ASN 40 2HB ASN 40 22.891 -13.463 2.457 280 1HD2 ASN 40 1HD2 ASN 40 21.037 -12.853 3.858 281 2HD2 ASN 40 2HD2 ASN 40 21.234 -11.383 4.822 282 H GLY 41 H GLY 41 26.456 -12.720 0.892 283 1HA GLY 41 1HA GLY 41 28.459 -12.068 2.156 284 2HA GLY 41 2HA GLY 41 27.466 -12.183 3.592 285 H TYR 42 H TYR 42 26.078 -14.662 2.910 286 HA TYR 42 HA TYR 42 27.638 -16.607 4.084 287 1HB TYR 42 1HB TYR 42 25.408 -16.875 2.028 288 2HB TYR 42 2HB TYR 42 25.990 -18.185 2.960 289 HD1 TYR 42 HD1 TYR 42 26.004 -17.803 5.505 290 HD2 TYR 42 HD2 TYR 42 23.471 -15.614 2.881 291 HE1 TYR 42 HE1 TYR 42 24.366 -17.340 7.432 292 HE2 TYR 42 HE2 TYR 42 21.943 -15.092 4.742 293 HH TYR 42 HH TYR 42 21.418 -15.655 6.982 294 H ASP 43 H ASP 43 28.658 -18.468 3.249 295 HA ASP 43 HA ASP 43 30.257 -17.903 0.810 296 1HB ASP 43 1HB ASP 43 30.406 -19.665 3.177 297 2HB ASP 43 2HB ASP 43 30.717 -20.553 1.695 298 H GLY 44 H GLY 44 27.752 -20.127 1.876 299 1HA GLY 44 1HA GLY 44 26.725 -20.649 -0.754 300 2HA GLY 44 2HA GLY 44 27.709 -21.998 -0.225 301 H ASP 45 H ASP 45 27.165 -22.391 2.301 302 HA ASP 45 HA ASP 45 24.168 -22.553 2.549 303 1HB ASP 45 1HB ASP 45 26.160 -24.700 2.406 304 2HB ASP 45 2HB ASP 45 25.435 -24.694 4.025 305 H GLY 46 H GLY 46 27.016 -23.278 4.506 306 1HA GLY 46 1HA GLY 46 25.943 -22.639 7.007 307 2HA GLY 46 2HA GLY 46 27.695 -22.592 6.609 308 H LYS 47 H LYS 47 27.334 -20.841 8.339 309 HA LYS 47 HA LYS 47 26.134 -18.374 7.634 310 1HB LYS 47 1HB LYS 47 27.312 -17.402 9.472 311 2HB LYS 47 2HB LYS 47 26.780 -19.003 9.940 312 1HG LYS 47 1HG LYS 47 29.510 -18.913 8.657 313 2HG LYS 47 2HG LYS 47 29.399 -18.035 10.168 314 1HD LYS 47 1HD LYS 47 29.105 -19.957 11.399 315 2HD LYS 47 2HD LYS 47 28.129 -20.742 10.151 316 1HE LYS 47 1HE LYS 47 30.564 -20.586 8.868 317 2HE LYS 47 2HE LYS 47 31.076 -20.799 10.548 318 1HZ LYS 47 1HZ LYS 47 28.922 -22.550 9.866 319 2HZ LYS 47 2HZ LYS 47 30.191 -22.770 8.837 320 3HZ LYS 47 3HZ LYS 47 30.391 -22.936 10.460 321 H LEU 48 H LEU 48 28.158 -16.469 7.983 322 HA LEU 48 HA LEU 48 29.363 -16.576 5.255 323 1HB LEU 48 1HB LEU 48 29.505 -14.026 6.689 324 2HB LEU 48 2HB LEU 48 28.963 -14.434 5.110 325 HG LEU 48 HG LEU 48 26.765 -15.303 6.194 326 1HD1 LEU 48 1HD1 LEU 48 28.254 -14.431 8.510 327 2HD1 LEU 48 2HD1 LEU 48 26.984 -13.248 8.265 328 3HD1 LEU 48 3HD1 LEU 48 26.554 -14.959 8.417 329 1HD2 LEU 48 1HD2 LEU 48 27.601 -12.473 5.680 330 2HD2 LEU 48 2HD2 LEU 48 26.416 -13.589 4.872 331 3HD2 LEU 48 3HD2 LEU 48 25.970 -12.886 6.281 332 HA PRO 49 HA PRO 49 33.397 -16.785 6.764 333 1HB PRO 49 1HB PRO 49 34.780 -14.901 5.195 334 2HB PRO 49 2HB PRO 49 34.278 -16.548 4.684 335 1HG PRO 49 1HG PRO 49 33.160 -13.933 3.922 336 2HG PRO 49 2HG PRO 49 33.007 -15.513 3.078 337 1HD PRO 49 1HD PRO 49 31.055 -14.253 4.744 338 2HD PRO 49 2HD PRO 49 30.972 -15.869 4.010 339 H LYS 50 H LYS 50 35.067 -15.745 7.971 340 HA LYS 50 HA LYS 50 34.094 -13.779 9.822 341 1HB LYS 50 1HB LYS 50 35.522 -15.206 10.802 342 2HB LYS 50 2HB LYS 50 36.656 -15.259 9.450 343 1HG LYS 50 1HG LYS 50 37.694 -13.238 10.012 344 2HG LYS 50 2HG LYS 50 36.314 -12.652 10.959 345 1HD LYS 50 1HD LYS 50 37.204 -13.419 12.828 346 2HD LYS 50 2HD LYS 50 37.287 -15.069 12.164 347 1HE LYS 50 1HE LYS 50 39.390 -14.283 10.893 348 2HE LYS 50 2HE LYS 50 39.387 -12.872 11.964 349 1HZ LYS 50 1HZ LYS 50 39.086 -15.455 13.254 350 2HZ LYS 50 2HZ LYS 50 40.563 -15.191 12.584 351 3HZ LYS 50 3HZ LYS 50 39.976 -14.162 13.733 352 H GLY 51 H GLY 51 33.504 -11.991 8.755 353 1HA GLY 51 1HA GLY 51 34.652 -9.642 8.618 354 2HA GLY 51 2HA GLY 51 35.619 -10.402 7.322 355 H ARG 52 H ARG 52 32.114 -10.801 8.060 356 HA ARG 52 HA ARG 52 31.497 -9.394 5.541 357 1HB ARG 52 1HB ARG 52 31.525 -12.139 5.623 358 2HB ARG 52 2HB ARG 52 29.899 -11.846 6.220 359 1HG ARG 52 1HG ARG 52 29.185 -11.398 4.189 360 2HG ARG 52 2HG ARG 52 30.225 -10.042 3.989 361 1HD ARG 52 1HD ARG 52 31.636 -12.611 3.617 362 2HD ARG 52 2HD ARG 52 30.358 -12.370 2.474 363 HE ARG 52 HE ARG 52 32.082 -10.065 2.790 364 1HH1 ARG 52 2HH2 ARG 52 31.686 -13.088 1.140 365 2HH1 ARG 52 1HH2 ARG 52 32.663 -12.651 -0.229 366 1HH2 ARG 52 2HH1 ARG 52 33.345 -9.472 1.058 367 2HH2 ARG 52 1HH1 ARG 52 33.612 -10.584 -0.252 368 H THR 53 H THR 53 29.237 -8.791 5.355 369 HA THR 53 HA THR 53 27.853 -8.587 7.965 370 HB THR 53 HB THR 53 28.895 -6.289 6.405 371 HG1 THR 53 HG1 THR 53 29.961 -7.230 8.228 372 1HG2 THR 53 1HG2 THR 53 26.795 -5.361 6.690 373 2HG2 THR 53 2HG2 THR 53 26.346 -6.480 8.003 374 3HG2 THR 53 3HG2 THR 53 27.420 -5.112 8.335 375 HA PRO 54 HA PRO 54 24.832 -9.667 4.797 376 1HB PRO 54 1HB PRO 54 22.981 -10.807 6.604 377 2HB PRO 54 2HB PRO 54 24.304 -11.654 5.808 378 1HG PRO 54 1HG PRO 54 24.085 -10.769 8.636 379 2HG PRO 54 2HG PRO 54 25.121 -12.032 7.955 380 1HD PRO 54 1HD PRO 54 25.858 -9.373 8.665 381 2HD PRO 54 2HD PRO 54 26.886 -10.590 7.851 382 H ILE 55 H ILE 55 22.400 -9.290 4.758 383 HA ILE 55 HA ILE 55 21.930 -6.515 5.705 384 HB ILE 55 HB ILE 55 20.269 -8.061 3.703 385 1HG1 ILE 55 1HG1 ILE 55 22.854 -6.467 3.301 386 2HG1 ILE 55 2HG1 ILE 55 22.482 -8.106 2.775 387 1HG2 ILE 55 1HG2 ILE 55 20.761 -5.070 3.851 388 2HG2 ILE 55 2HG2 ILE 55 19.411 -5.990 3.167 389 3HG2 ILE 55 3HG2 ILE 55 19.548 -5.813 4.911 390 1HD1 ILE 55 1HD1 ILE 55 20.931 -7.375 1.177 391 2HD1 ILE 55 2HD1 ILE 55 21.027 -5.677 1.639 392 3HD1 ILE 55 3HD1 ILE 55 22.426 -6.434 0.926 393 H LYS 56 H LYS 56 20.457 -6.037 7.168 394 HA LYS 56 HA LYS 56 18.977 -8.298 8.448 395 1HB LYS 56 1HB LYS 56 20.282 -6.976 9.947 396 2HB LYS 56 2HB LYS 56 19.615 -5.447 9.367 397 1HG LYS 56 1HG LYS 56 17.724 -7.572 10.430 398 2HG LYS 56 2HG LYS 56 18.687 -6.675 11.586 399 1HD LYS 56 1HD LYS 56 17.358 -4.944 9.526 400 2HD LYS 56 2HD LYS 56 16.238 -5.841 10.529 401 1HE LYS 56 1HE LYS 56 16.539 -4.284 12.130 402 2HE LYS 56 2HE LYS 56 18.194 -4.881 12.326 403 1HZ LYS 56 1HZ LYS 56 17.283 -2.476 11.034 404 2HZ LYS 56 2HZ LYS 56 18.769 -2.815 11.672 405 3HZ LYS 56 3HZ LYS 56 18.392 -3.306 10.157 406 H PHE 57 H PHE 57 16.913 -8.541 8.262 407 HA PHE 57 HA PHE 57 15.243 -6.453 6.848 408 1HB PHE 57 1HB PHE 57 14.729 -9.438 6.973 409 2HB PHE 57 2HB PHE 57 14.024 -8.253 5.880 410 HD1 PHE 57 HD1 PHE 57 16.938 -10.428 6.624 411 HD2 PHE 57 HD2 PHE 57 15.385 -7.363 3.999 412 HE1 PHE 57 HE1 PHE 57 18.673 -10.980 4.969 413 HE2 PHE 57 HE2 PHE 57 17.159 -7.943 2.307 414 HZ PHE 57 HZ PHE 57 18.798 -9.744 2.818 415 H GLY 58 H GLY 58 15.157 -9.049 9.286 416 1HA GLY 58 1HA GLY 58 14.157 -8.365 11.511 417 2HA GLY 58 2HA GLY 58 12.781 -7.753 10.559 418 H LYS 59 H LYS 59 13.844 -10.426 8.911 419 HA LYS 59 HA LYS 59 11.890 -12.209 10.319 420 1HB LYS 59 1HB LYS 59 12.689 -11.902 7.388 421 2HB LYS 59 2HB LYS 59 11.826 -13.340 7.988 422 1HG LYS 59 1HG LYS 59 9.882 -12.140 8.553 423 2HG LYS 59 2HG LYS 59 10.723 -10.589 8.648 424 1HD LYS 59 1HD LYS 59 11.158 -10.840 6.103 425 2HD LYS 59 2HD LYS 59 9.939 -12.110 6.157 426 1HE LYS 59 1HE LYS 59 9.265 -9.493 7.483 427 2HE LYS 59 2HE LYS 59 9.425 -9.471 5.718 428 1HZ LYS 59 1HZ LYS 59 7.295 -10.151 5.801 429 2HZ LYS 59 2HZ LYS 59 7.933 -11.636 6.061 430 3HZ LYS 59 3HZ LYS 59 7.390 -10.757 7.336 431 H SER 60 H SER 60 12.406 -14.160 10.903 432 HA SER 60 HA SER 60 15.257 -14.685 11.242 433 1HB SER 60 1HB SER 60 13.464 -15.218 12.946 434 2HB SER 60 2HB SER 60 12.923 -16.533 11.859 435 HG SER 60 HG SER 60 14.386 -17.565 13.040 436 H ASP 61 H ASP 61 13.128 -15.120 8.687 437 HA ASP 61 HA ASP 61 14.158 -17.693 7.719 438 1HB ASP 61 1HB ASP 61 12.286 -15.600 6.523 439 2HB ASP 61 2HB ASP 61 12.775 -17.088 5.708 440 H CYS 62 H CYS 62 14.194 -14.221 6.769 441 HA CYS 62 HA CYS 62 16.077 -14.666 4.626 442 1HB CYS 62 1HB CYS 62 15.466 -12.016 5.951 443 2HB CYS 62 2HB CYS 62 16.070 -12.327 4.334 444 H ASP 63 H ASP 63 16.235 -14.205 8.063 445 HA ASP 63 HA ASP 63 19.041 -13.306 8.118 446 1HB ASP 63 1HB ASP 63 17.456 -12.651 9.901 447 2HB ASP 63 2HB ASP 63 17.150 -14.372 10.242 448 H ARG 64 H ARG 64 17.133 -16.345 8.559 449 HA ARG 64 HA ARG 64 19.135 -17.921 9.529 450 1HB ARG 64 1HB ARG 64 17.582 -19.548 9.232 451 2HB ARG 64 2HB ARG 64 16.552 -18.343 8.515 452 1HG ARG 64 1HG ARG 64 17.552 -18.808 6.256 453 2HG ARG 64 2HG ARG 64 18.260 -20.250 7.041 454 1HD ARG 64 1HD ARG 64 15.346 -19.618 7.019 455 2HD ARG 64 2HD ARG 64 16.198 -20.566 5.800 456 HE ARG 64 HE ARG 64 16.875 -21.575 8.405 457 1HH1 ARG 64 2HH2 ARG 64 14.040 -21.360 6.441 458 2HH1 ARG 64 1HH2 ARG 64 13.294 -22.778 7.056 459 1HH2 ARG 64 2HH1 ARG 64 15.919 -23.434 9.272 460 2HH2 ARG 64 1HH1 ARG 64 14.372 -23.954 8.669 461 HA PRO 65 HA PRO 65 22.018 -18.487 6.354 462 1HB PRO 65 1HB PRO 65 22.774 -21.190 6.657 463 2HB PRO 65 2HB PRO 65 23.354 -19.776 7.601 464 1HG PRO 65 1HG PRO 65 21.441 -21.919 8.394 465 2HG PRO 65 2HG PRO 65 22.406 -20.801 9.430 466 1HD PRO 65 1HD PRO 65 19.641 -20.618 8.738 467 2HD PRO 65 2HD PRO 65 20.604 -19.449 9.682 468 HA PRO 66 HA PRO 66 19.825 -20.262 2.903 469 1HB PRO 66 1HB PRO 66 21.835 -20.118 0.968 470 2HB PRO 66 2HB PRO 66 20.819 -18.734 1.525 471 1HG PRO 66 1HG PRO 66 23.669 -19.239 2.115 472 2HG PRO 66 2HG PRO 66 22.690 -17.724 2.182 473 1HD PRO 66 1HD PRO 66 23.468 -19.411 4.374 474 2HD PRO 66 2HD PRO 66 22.374 -18.012 4.397 475 H LYS 67 H LYS 67 20.063 -21.997 1.190 476 HA LYS 67 HA LYS 67 21.785 -24.205 2.198 477 1HB LYS 67 1HB LYS 67 19.609 -24.555 3.127 478 2HB LYS 67 2HB LYS 67 18.884 -24.497 1.535 479 1HG LYS 67 1HG LYS 67 19.270 -26.729 1.378 480 2HG LYS 67 2HG LYS 67 21.013 -26.422 1.397 481 1HD LYS 67 1HD LYS 67 21.076 -26.502 3.836 482 2HD LYS 67 2HD LYS 67 19.317 -26.707 3.898 483 1HE LYS 67 1HE LYS 67 20.053 -28.911 4.083 484 2HE LYS 67 2HE LYS 67 19.699 -28.760 2.350 485 1HZ LYS 67 1HZ LYS 67 21.839 -29.373 2.031 486 2HZ LYS 67 2HZ LYS 67 22.316 -27.918 2.644 487 3HZ LYS 67 3HZ LYS 67 22.222 -29.227 3.620 488 H HIS 68 H HIS 68 22.938 -22.944 0.283 489 HA HIS 68 HA HIS 68 21.839 -23.691 -2.410 490 1HB HIS 68 1HB HIS 68 22.801 -21.415 -2.051 491 2HB HIS 68 2HB HIS 68 24.343 -22.152 -1.579 492 HD1 HIS 68 HD1 HIS 68 25.944 -23.061 -3.339 493 HD2 HIS 68 HD2 HIS 68 22.241 -21.576 -4.712 494 HE1 HIS 68 HE1 HIS 68 26.117 -22.855 -5.920 495 HE2 HIS 68 HE2 HIS 68 23.799 -22.064 -6.726 496 H SER 69 H SER 69 22.750 -25.141 -3.718 497 HA SER 69 HA SER 69 25.037 -26.830 -2.647 498 1HB SER 69 1HB SER 69 22.300 -27.607 -3.342 499 2HB SER 69 2HB SER 69 23.558 -28.628 -4.052 500 HG SER 69 HG SER 69 24.424 -28.938 -2.010 501 H LYS 70 H LYS 70 23.232 -27.320 -5.570 502 HA LYS 70 HA LYS 70 25.702 -27.281 -7.137 503 1HB LYS 70 1HB LYS 70 22.946 -28.259 -7.424 504 2HB LYS 70 2HB LYS 70 23.311 -27.277 -8.804 505 1HG LYS 70 1HG LYS 70 25.494 -29.216 -7.927 506 2HG LYS 70 2HG LYS 70 24.010 -29.917 -8.533 507 1HD LYS 70 1HD LYS 70 24.518 -27.929 -10.424 508 2HD LYS 70 2HD LYS 70 26.152 -28.419 -9.982 509 1HE LYS 70 1HE LYS 70 25.701 -30.691 -10.648 510 2HE LYS 70 2HE LYS 70 23.948 -30.412 -10.621 511 1HZ LYS 70 1HZ LYS 70 24.549 -28.626 -12.410 512 2HZ LYS 70 2HZ LYS 70 25.873 -29.542 -12.662 513 3HZ LYS 70 3HZ LYS 70 24.380 -30.214 -12.855 514 H ASP 71 H ASP 71 25.112 -26.141 -9.485 515 HA ASP 71 HA ASP 71 25.783 -23.394 -8.993 516 1HB ASP 71 1HB ASP 71 25.162 -23.042 -11.376 517 2HB ASP 71 2HB ASP 71 26.308 -24.369 -11.122 518 H GLY 72 H GLY 72 22.733 -24.977 -8.971 519 1HA GLY 72 1HA GLY 72 21.274 -22.441 -8.968 520 2HA GLY 72 2HA GLY 72 20.535 -24.018 -9.363 521 H ASN 73 H ASN 73 19.454 -24.881 -7.691 522 HA ASN 73 HA ASN 73 20.045 -24.127 -4.863 523 1HB ASN 73 1HB ASN 73 17.463 -24.880 -4.772 524 2HB ASN 73 2HB ASN 73 17.948 -23.299 -5.148 525 1HD2 ASN 73 1HD2 ASN 73 15.993 -23.019 -6.208 526 2HD2 ASN 73 2HD2 ASN 73 15.655 -23.719 -7.815 527 H GLY 74 H GLY 74 17.767 -26.499 -5.790 528 1HA GLY 74 1HA GLY 74 18.814 -28.941 -6.098 529 2HA GLY 74 2HA GLY 74 19.281 -28.513 -4.401 530 H LYS 75 H LYS 75 17.982 -29.436 -3.049 531 HA LYS 75 HA LYS 75 15.270 -30.371 -3.732 532 1HB LYS 75 1HB LYS 75 17.046 -30.514 -1.228 533 2HB LYS 75 2HB LYS 75 15.316 -30.901 -1.123 534 1HG LYS 75 1HG LYS 75 15.899 -32.404 -3.288 535 2HG LYS 75 2HG LYS 75 17.499 -32.399 -2.513 536 1HD LYS 75 1HD LYS 75 16.447 -33.203 -0.406 537 2HD LYS 75 2HD LYS 75 14.847 -33.128 -1.162 538 1HE LYS 75 1HE LYS 75 16.799 -34.667 -2.767 539 2HE LYS 75 2HE LYS 75 16.605 -35.326 -1.136 540 1HZ LYS 75 1HZ LYS 75 14.799 -35.493 -3.306 541 2HZ LYS 75 2HZ LYS 75 14.697 -36.219 -1.831 542 3HZ LYS 75 3HZ LYS 75 14.061 -34.725 -2.065 543 H THR 76 H THR 76 15.578 -28.948 -0.637 544 HA THR 76 HA THR 76 13.505 -26.971 -1.447 545 HB THR 76 HB THR 76 13.216 -28.845 0.416 546 HG1 THR 76 HG1 THR 76 12.376 -26.195 0.459 547 1HG2 THR 76 1HG2 THR 76 15.088 -27.525 1.841 548 2HG2 THR 76 2HG2 THR 76 13.670 -26.537 2.250 549 3HG2 THR 76 3HG2 THR 76 13.665 -28.250 2.636 550 H ASP 77 H ASP 77 16.486 -26.653 -1.762 551 HA ASP 77 HA ASP 77 17.895 -25.308 0.010 552 1HB ASP 77 1HB ASP 77 17.447 -24.326 -2.816 553 2HB ASP 77 2HB ASP 77 18.829 -23.934 -1.822 554 H HIS 78 H HIS 78 17.178 -23.793 1.440 555 HA HIS 78 HA HIS 78 15.014 -21.916 0.580 556 1HB HIS 78 1HB HIS 78 15.008 -21.196 2.941 557 2HB HIS 78 2HB HIS 78 14.751 -22.932 2.723 558 HD1 HIS 78 HD1 HIS 78 15.503 -22.847 5.384 559 HD2 HIS 78 HD2 HIS 78 18.393 -22.164 2.462 560 HE1 HIS 78 HE1 HIS 78 17.851 -23.204 6.526 561 HE2 HIS 78 HE2 HIS 78 19.582 -22.781 4.709 562 H TYR 79 H TYR 79 17.818 -21.873 -0.439 563 HA TYR 79 HA TYR 79 19.404 -19.821 0.462 564 1HB TYR 79 1HB TYR 79 20.443 -19.947 -1.649 565 2HB TYR 79 2HB TYR 79 19.824 -21.568 -1.382 566 HD1 TYR 79 HD1 TYR 79 19.740 -18.696 -3.556 567 HD2 TYR 79 HD2 TYR 79 17.554 -22.123 -2.445 568 HE1 TYR 79 HE1 TYR 79 18.505 -18.614 -5.704 569 HE2 TYR 79 HE2 TYR 79 16.151 -21.957 -4.466 570 HH TYR 79 HH TYR 79 16.040 -19.285 -6.383 571 H LEU 80 H LEU 80 19.500 -17.613 0.145 572 HA LEU 80 HA LEU 80 16.867 -16.376 -0.502 573 1HB LEU 80 1HB LEU 80 19.529 -15.523 0.712 574 2HB LEU 80 2HB LEU 80 18.585 -14.282 -0.083 575 HG LEU 80 HG LEU 80 16.886 -15.986 1.684 576 1HD1 LEU 80 1HD1 LEU 80 19.327 -14.590 2.837 577 2HD1 LEU 80 2HD1 LEU 80 17.842 -14.878 3.712 578 3HD1 LEU 80 3HD1 LEU 80 18.700 -16.252 3.133 579 1HD2 LEU 80 1HD2 LEU 80 17.439 -13.020 1.320 580 2HD2 LEU 80 2HD2 LEU 80 15.997 -13.951 0.847 581 3HD2 LEU 80 3HD2 LEU 80 16.366 -13.629 2.548 582 H LEU 81 H LEU 81 16.378 -15.346 -2.367 583 HA LEU 81 HA LEU 81 18.600 -14.954 -4.334 584 1HB LEU 81 1HB LEU 81 17.646 -16.846 -5.104 585 2HB LEU 81 2HB LEU 81 16.028 -16.510 -4.569 586 HG LEU 81 HG LEU 81 17.120 -14.675 -6.740 587 1HD1 LEU 81 1HD1 LEU 81 16.311 -16.574 -8.361 588 2HD1 LEU 81 2HD1 LEU 81 17.927 -16.492 -7.843 589 3HD1 LEU 81 3HD1 LEU 81 16.911 -17.629 -7.046 590 1HD2 LEU 81 1HD2 LEU 81 14.765 -15.354 -7.573 591 2HD2 LEU 81 2HD2 LEU 81 14.629 -15.951 -5.960 592 3HD2 LEU 81 3HD2 LEU 81 14.983 -14.197 -6.246 593 H GLU 82 H GLU 82 18.357 -13.228 -5.665 594 HA GLU 82 HA GLU 82 16.256 -11.263 -4.886 595 1HB GLU 82 1HB GLU 82 17.892 -9.566 -5.410 596 2HB GLU 82 2HB GLU 82 18.580 -10.691 -4.177 597 1HG GLU 82 1HG GLU 82 19.249 -10.979 -7.102 598 2HG GLU 82 2HG GLU 82 19.917 -9.699 -6.161 599 H PHE 83 H PHE 83 15.753 -9.662 -6.535 600 HA PHE 83 HA PHE 83 16.239 -10.600 -9.309 601 1HB PHE 83 1HB PHE 83 14.176 -11.685 -8.412 602 2HB PHE 83 2HB PHE 83 13.524 -10.083 -8.157 603 HD1 PHE 83 HD1 PHE 83 12.411 -8.808 -9.793 604 HD2 PHE 83 HD2 PHE 83 14.774 -12.247 -10.891 605 HE1 PHE 83 HE1 PHE 83 11.585 -8.772 -12.128 606 HE2 PHE 83 HE2 PHE 83 13.856 -12.212 -13.166 607 HZ PHE 83 HZ PHE 83 12.172 -10.443 -13.689 608 HA PRO 84 HA PRO 84 16.401 -6.135 -9.702 609 1HB PRO 84 1HB PRO 84 16.729 -6.033 -12.404 610 2HB PRO 84 2HB PRO 84 18.073 -6.297 -11.237 611 1HG PRO 84 1HG PRO 84 16.823 -8.220 -13.110 612 2HG PRO 84 2HG PRO 84 18.394 -8.310 -12.247 613 1HD PRO 84 1HD PRO 84 15.917 -9.629 -11.596 614 2HD PRO 84 2HD PRO 84 17.422 -9.601 -10.647 615 H THR 85 H THR 85 14.625 -5.175 -9.296 616 HA THR 85 HA THR 85 12.368 -5.443 -11.211 617 HB THR 85 HB THR 85 11.526 -6.134 -9.172 618 HG1 THR 85 HG1 THR 85 11.255 -3.369 -9.060 619 1HG2 THR 85 1HG2 THR 85 13.420 -4.109 -7.956 620 2HG2 THR 85 2HG2 THR 85 11.956 -4.461 -7.089 621 3HG2 THR 85 3HG2 THR 85 13.072 -5.781 -7.469 622 H PHE 86 H PHE 86 12.416 -3.947 -12.671 623 HA PHE 86 HA PHE 86 13.504 -1.297 -12.074 624 1HB PHE 86 1HB PHE 86 12.091 -2.461 -14.505 625 2HB PHE 86 2HB PHE 86 12.876 -0.900 -14.506 626 HD1 PHE 86 HD1 PHE 86 13.304 -4.248 -15.312 627 HD2 PHE 86 HD2 PHE 86 15.423 -0.894 -13.590 628 HE1 PHE 86 HE1 PHE 86 15.589 -5.233 -15.952 629 HE2 PHE 86 HE2 PHE 86 17.605 -1.941 -14.244 630 HZ PHE 86 HZ PHE 86 17.574 -4.078 -15.441 631 HA PRO 87 HA PRO 87 9.707 0.739 -11.200 632 1HB PRO 87 1HB PRO 87 10.165 3.277 -12.336 633 2HB PRO 87 2HB PRO 87 10.720 2.692 -10.782 634 1HG PRO 87 1HG PRO 87 12.268 3.094 -13.288 635 2HG PRO 87 2HG PRO 87 12.889 2.983 -11.596 636 1HD PRO 87 1HD PRO 87 12.913 0.992 -13.629 637 2HD PRO 87 2HD PRO 87 13.432 0.812 -11.932 638 H ASP 88 H ASP 88 10.872 1.341 -14.545 639 HA ASP 88 HA ASP 88 8.656 2.127 -15.883 640 1HB ASP 88 1HB ASP 88 10.877 0.229 -16.536 641 2HB ASP 88 2HB ASP 88 9.468 0.146 -17.579 642 H GLY 89 H GLY 89 9.136 -0.972 -14.377 643 1HA GLY 89 1HA GLY 89 7.599 -2.520 -13.739 644 2HA GLY 89 2HA GLY 89 6.333 -1.590 -14.618 645 H HIS 90 H HIS 90 9.006 -2.103 -16.518 646 HA HIS 90 HA HIS 90 7.526 -3.929 -18.231 647 1HB HIS 90 1HB HIS 90 9.278 -3.593 -19.841 648 2HB HIS 90 2HB HIS 90 8.855 -2.040 -19.125 649 HD1 HIS 90 HD1 HIS 90 10.945 -0.555 -18.791 650 HD2 HIS 90 HD2 HIS 90 11.648 -4.713 -18.301 651 HE1 HIS 90 HE1 HIS 90 13.397 -0.825 -18.154 652 HE2 HIS 90 HE2 HIS 90 13.834 -3.361 -17.780 653 H ASP 91 H ASP 91 7.823 -6.059 -18.442 654 HA ASP 91 HA ASP 91 9.185 -7.569 -16.397 655 1HB ASP 91 1HB ASP 91 7.124 -8.283 -17.737 656 2HB ASP 91 2HB ASP 91 8.173 -8.493 -19.148 657 H TYR 92 H TYR 92 11.324 -6.630 -16.580 658 HA TYR 92 HA TYR 92 13.088 -6.372 -18.562 659 1HB TYR 92 1HB TYR 92 13.676 -6.084 -16.285 660 2HB TYR 92 2HB TYR 92 13.375 -7.713 -15.863 661 HD1 TYR 92 HD1 TYR 92 15.394 -8.563 -15.064 662 HD2 TYR 92 HD2 TYR 92 15.398 -6.303 -18.738 663 HE1 TYR 92 HE1 TYR 92 17.773 -9.240 -15.497 664 HE2 TYR 92 HE2 TYR 92 17.760 -6.988 -19.123 665 HH TYR 92 HH TYR 92 19.718 -8.025 -16.893 666 H LYS 93 H LYS 93 14.410 -7.604 -19.889 667 HA LYS 93 HA LYS 93 13.405 -10.289 -20.467 668 1HB LYS 93 1HB LYS 93 15.233 -10.175 -22.233 669 2HB LYS 93 2HB LYS 93 13.905 -9.001 -22.363 670 1HG LYS 93 1HG LYS 93 15.243 -7.185 -21.620 671 2HG LYS 93 2HG LYS 93 16.473 -8.260 -20.904 672 1HD LYS 93 1HD LYS 93 17.286 -7.288 -23.017 673 2HD LYS 93 2HD LYS 93 17.069 -9.042 -23.073 674 1HE LYS 93 1HE LYS 93 14.731 -7.519 -23.926 675 2HE LYS 93 2HE LYS 93 16.190 -7.043 -24.823 676 1HZ LYS 93 1HZ LYS 93 16.442 -9.680 -24.895 677 2HZ LYS 93 2HZ LYS 93 14.809 -9.643 -24.786 678 3HZ LYS 93 3HZ LYS 93 15.549 -8.870 -26.032 679 H PHE 94 H PHE 94 14.030 -10.617 -18.056 680 HA PHE 94 HA PHE 94 16.802 -11.282 -17.490 681 1HB PHE 94 1HB PHE 94 15.778 -12.249 -15.441 682 2HB PHE 94 2HB PHE 94 15.444 -10.600 -15.662 683 HD1 PHE 94 HD1 PHE 94 13.231 -9.773 -16.018 684 HD2 PHE 94 HD2 PHE 94 13.972 -13.980 -15.793 685 HE1 PHE 94 HE1 PHE 94 10.812 -10.142 -15.978 686 HE2 PHE 94 HE2 PHE 94 11.490 -14.373 -15.648 687 HZ PHE 94 HZ PHE 94 9.919 -12.439 -15.756 688 H ASP 95 H ASP 95 14.053 -12.840 -18.953 689 HA ASP 95 HA ASP 95 15.081 -15.592 -18.523 690 1HB ASP 95 1HB ASP 95 12.722 -15.404 -18.390 691 2HB ASP 95 2HB ASP 95 12.638 -14.348 -19.817 692 H SER 96 H SER 96 15.104 -13.025 -20.875 693 HA SER 96 HA SER 96 15.981 -14.828 -23.056 694 1HB SER 96 1HB SER 96 14.773 -12.161 -22.879 695 2HB SER 96 2HB SER 96 16.227 -12.159 -23.913 696 HG SER 96 HG SER 96 13.833 -13.565 -24.238 697 H LYS 97 H LYS 97 17.982 -15.444 -22.924 698 HA LYS 97 HA LYS 97 20.105 -14.055 -21.577 699 1HB LYS 97 1HB LYS 97 21.501 -15.761 -22.296 700 2HB LYS 97 2HB LYS 97 19.928 -16.551 -22.440 701 1HG LYS 97 1HG LYS 97 19.914 -16.029 -24.865 702 2HG LYS 97 2HG LYS 97 21.517 -15.240 -24.628 703 1HD LYS 97 1HD LYS 97 22.077 -17.600 -23.562 704 2HD LYS 97 2HD LYS 97 20.895 -18.089 -24.818 705 1HE LYS 97 1HE LYS 97 22.206 -17.162 -26.569 706 2HE LYS 97 2HE LYS 97 23.116 -16.111 -25.469 707 1HZ LYS 97 1HZ LYS 97 23.838 -18.683 -26.288 708 2HZ LYS 97 2HZ LYS 97 24.631 -17.727 -25.193 709 3HZ LYS 97 3HZ LYS 97 23.487 -18.772 -24.691 710 H LYS 98 H LYS 98 19.269 -14.099 -24.969 711 HA LYS 98 HA LYS 98 20.650 -11.600 -25.184 712 1HB LYS 98 1HB LYS 98 21.638 -13.998 -26.432 713 2HB LYS 98 2HB LYS 98 21.234 -12.778 -27.651 714 1HG LYS 98 1HG LYS 98 22.518 -11.074 -26.184 715 2HG LYS 98 2HG LYS 98 23.084 -12.438 -25.223 716 1HD LYS 98 1HD LYS 98 23.379 -12.565 -28.238 717 2HD LYS 98 2HD LYS 98 24.418 -11.443 -27.379 718 1HE LYS 98 1HE LYS 98 24.159 -14.227 -26.268 719 2HE LYS 98 2HE LYS 98 25.074 -14.040 -27.779 720 1HZ LYS 98 1HZ LYS 98 26.765 -13.092 -26.671 721 2HZ LYS 98 2HZ LYS 98 25.787 -12.065 -25.853 722 3HZ LYS 98 3HZ LYS 98 26.063 -13.562 -25.253 723 HA PRO 99 HA PRO 99 20.656 -9.862 -26.256 724 1HB PRO 99 1HB PRO 99 19.211 -7.556 -26.040 725 2HB PRO 99 2HB PRO 99 20.057 -8.192 -27.495 726 1HG PRO 99 1HG PRO 99 17.154 -8.108 -26.906 727 2HG PRO 99 2HG PRO 99 17.984 -8.246 -28.486 728 1HD PRO 99 1HD PRO 99 16.745 -10.388 -26.977 729 2HD PRO 99 2HD PRO 99 17.669 -10.528 -28.496 730 H LYS 100 H LYS 100 20.679 -8.201 -24.329 731 HA LYS 100 HA LYS 100 18.928 -8.999 -22.079 732 1HB LYS 100 1HB LYS 100 20.424 -10.487 -21.562 733 2HB LYS 100 2HB LYS 100 21.807 -9.673 -22.312 734 1HG LYS 100 1HG LYS 100 22.132 -8.192 -20.506 735 2HG LYS 100 2HG LYS 100 20.483 -8.361 -19.924 736 1HD LYS 100 1HD LYS 100 21.265 -9.611 -18.395 737 2HD LYS 100 2HD LYS 100 21.229 -10.900 -19.630 738 1HE LYS 100 1HE LYS 100 23.503 -9.493 -18.381 739 2HE LYS 100 2HE LYS 100 23.276 -11.229 -18.748 740 1HZ LYS 100 1HZ LYS 100 24.031 -9.030 -20.544 741 2HZ LYS 100 2HZ LYS 100 24.755 -10.523 -20.412 742 3HZ LYS 100 3HZ LYS 100 23.270 -10.326 -21.156 743 H GLU 101 H GLU 101 18.211 -7.256 -21.146 744 HA GLU 101 HA GLU 101 19.437 -4.678 -21.783 745 1HB GLU 101 1HB GLU 101 16.788 -5.475 -21.377 746 2HB GLU 101 2HB GLU 101 17.183 -4.779 -19.819 747 1HG GLU 101 1HG GLU 101 16.496 -2.897 -20.988 748 2HG GLU 101 2HG GLU 101 18.235 -2.809 -21.276 749 H ASN 102 H ASN 102 19.314 -3.105 -19.761 750 HA ASN 102 HA ASN 102 21.479 -3.622 -18.184 751 1HB ASN 102 1HB ASN 102 19.401 -1.613 -18.265 752 2HB ASN 102 2HB ASN 102 19.530 -2.146 -16.591 753 1HD2 ASN 102 1HD2 ASN 102 20.896 -0.979 -15.420 754 2HD2 ASN 102 2HD2 ASN 102 22.374 -0.226 -16.065 755 HA PRO 103 HA PRO 103 20.145 -6.539 -15.171 756 1HB PRO 103 1HB PRO 103 21.877 -5.926 -13.034 757 2HB PRO 103 2HB PRO 103 22.317 -6.869 -14.494 758 1HG PRO 103 1HG PRO 103 23.041 -4.060 -13.793 759 2HG PRO 103 2HG PRO 103 23.848 -5.205 -14.928 760 1HD PRO 103 1HD PRO 103 22.091 -3.065 -15.525 761 2HD PRO 103 2HD PRO 103 22.775 -4.243 -16.679 762 H GLY 104 H GLY 104 21.009 -3.736 -13.116 763 1HA GLY 104 1HA GLY 104 19.017 -2.349 -12.469 764 2HA GLY 104 2HA GLY 104 18.194 -3.841 -12.005 765 HA PRO 105 HA PRO 105 21.396 -2.571 -8.667 766 1HB PRO 105 1HB PRO 105 20.398 -0.202 -7.517 767 2HB PRO 105 2HB PRO 105 21.730 -0.309 -8.708 768 1HG PRO 105 1HG PRO 105 18.999 0.577 -9.033 769 2HG PRO 105 2HG PRO 105 20.373 0.951 -10.085 770 1HD PRO 105 1HD PRO 105 18.257 -0.939 -10.591 771 2HD PRO 105 2HD PRO 105 19.764 -0.671 -11.521 772 H ALA 106 H ALA 106 18.152 -1.122 -7.950 773 HA ALA 106 HA ALA 106 17.907 -2.546 -5.496 774 1HB ALA 106 1HB ALA 106 15.664 -1.656 -5.514 775 2HB ALA 106 2HB ALA 106 16.854 -0.464 -5.998 776 3HB ALA 106 3HB ALA 106 15.792 -1.345 -7.213 777 H ARG 107 H ARG 107 17.056 -4.463 -5.043 778 HA ARG 107 HA ARG 107 15.519 -5.914 -7.108 779 1HB ARG 107 1HB ARG 107 17.953 -7.130 -5.662 780 2HB ARG 107 2HB ARG 107 16.930 -7.941 -6.803 781 1HG ARG 107 1HG ARG 107 17.727 -5.815 -8.368 782 2HG ARG 107 2HG ARG 107 18.995 -5.863 -7.255 783 1HD ARG 107 1HD ARG 107 18.587 -8.576 -8.098 784 2HD ARG 107 2HD ARG 107 18.374 -7.571 -9.509 785 HE ARG 107 HE ARG 107 20.557 -7.291 -9.649 786 1HH1 ARG 107 2HH2 ARG 107 19.798 -7.624 -6.342 787 2HH1 ARG 107 1HH2 ARG 107 21.397 -7.548 -5.689 788 1HH2 ARG 107 2HH1 ARG 107 22.629 -7.197 -8.970 789 2HH2 ARG 107 1HH1 ARG 107 23.039 -7.303 -7.250 790 H VAL 108 H VAL 108 14.238 -7.613 -6.340 791 HA VAL 108 HA VAL 108 13.451 -7.201 -3.503 792 HB VAL 108 HB VAL 108 11.731 -7.209 -5.107 793 1HG1 VAL 108 1HG1 VAL 108 11.432 -9.712 -6.133 794 2HG1 VAL 108 2HG1 VAL 108 12.156 -8.340 -7.032 795 3HG1 VAL 108 3HG1 VAL 108 13.139 -9.563 -6.248 796 1HG2 VAL 108 1HG2 VAL 108 11.145 -9.910 -4.028 797 2HG2 VAL 108 2HG2 VAL 108 11.704 -8.763 -2.823 798 3HG2 VAL 108 3HG2 VAL 108 10.292 -8.376 -3.830 799 H ILE 109 H ILE 109 14.459 -8.254 -1.986 800 HA ILE 109 HA ILE 109 15.718 -10.908 -2.612 801 HB ILE 109 HB ILE 109 16.130 -8.818 -0.502 802 1HG1 ILE 109 1HG1 ILE 109 18.376 -8.946 -1.218 803 2HG1 ILE 109 2HG1 ILE 109 18.129 -10.385 -2.168 804 1HG2 ILE 109 1HG2 ILE 109 16.576 -11.770 -0.260 805 2HG2 ILE 109 2HG2 ILE 109 17.869 -10.717 0.323 806 3HG2 ILE 109 3HG2 ILE 109 16.270 -10.544 0.993 807 1HD1 ILE 109 1HD1 ILE 109 16.702 -9.102 -3.741 808 2HD1 ILE 109 2HD1 ILE 109 16.827 -7.683 -2.691 809 3HD1 ILE 109 3HD1 ILE 109 18.204 -8.324 -3.640 810 H TYR 110 H TYR 110 14.609 -12.658 -2.306 811 HA TYR 110 HA TYR 110 12.865 -12.812 0.103 812 1HB TYR 110 1HB TYR 110 11.080 -13.650 -1.241 813 2HB TYR 110 2HB TYR 110 11.532 -12.095 -1.875 814 HD1 TYR 110 HD1 TYR 110 11.899 -11.880 -4.205 815 HD2 TYR 110 HD2 TYR 110 12.263 -15.788 -2.463 816 HE1 TYR 110 HE1 TYR 110 12.150 -12.929 -6.455 817 HE2 TYR 110 HE2 TYR 110 12.633 -16.800 -4.596 818 HH TYR 110 HH TYR 110 12.626 -14.858 -7.559 819 H THR 111 H THR 111 12.801 -14.772 1.000 820 HA THR 111 HA THR 111 14.870 -16.697 0.170 821 HB THR 111 HB THR 111 14.443 -17.726 2.251 822 HG1 THR 111 HG1 THR 111 11.916 -16.652 1.876 823 1HG2 THR 111 1HG2 THR 111 13.212 -15.165 3.225 824 2HG2 THR 111 2HG2 THR 111 14.681 -16.008 3.737 825 3HG2 THR 111 3HG2 THR 111 14.668 -14.950 2.341 826 H TYR 112 H TYR 112 14.450 -18.995 -0.136 827 HA TYR 112 HA TYR 112 11.999 -19.315 -1.725 828 1HB TYR 112 1HB TYR 112 13.738 -19.584 -3.125 829 2HB TYR 112 2HB TYR 112 14.753 -20.374 -1.920 830 HD1 TYR 112 HD1 TYR 112 13.021 -20.977 -4.856 831 HD2 TYR 112 HD2 TYR 112 13.690 -22.781 -1.040 832 HE1 TYR 112 HE1 TYR 112 12.372 -23.243 -5.760 833 HE2 TYR 112 HE2 TYR 112 13.142 -24.939 -1.885 834 HH TYR 112 HH TYR 112 12.178 -26.077 -3.638 835 HA PRO 113 HA PRO 113 11.088 -21.077 -2.759 836 1HB PRO 113 1HB PRO 113 8.609 -22.191 -2.602 837 2HB PRO 113 2HB PRO 113 10.112 -23.051 -3.062 838 1HG PRO 113 1HG PRO 113 8.574 -23.203 -0.517 839 2HG PRO 113 2HG PRO 113 9.737 -24.381 -1.221 840 1HD PRO 113 1HD PRO 113 10.251 -22.488 0.920 841 2HD PRO 113 2HD PRO 113 11.424 -23.539 0.104 842 H ASN 114 H ASN 114 8.763 -20.887 -0.096 843 HA ASN 114 HA ASN 114 7.099 -18.872 -1.055 844 1HB ASN 114 1HB ASN 114 6.764 -19.998 1.154 845 2HB ASN 114 2HB ASN 114 8.225 -19.185 1.780 846 1HD2 ASN 114 1HD2 ASN 114 6.896 -18.275 3.415 847 2HD2 ASN 114 2HD2 ASN 114 5.891 -16.856 3.057 848 H LYS 115 H LYS 115 7.718 -17.019 -1.976 849 HA LYS 115 HA LYS 115 10.229 -15.738 -1.559 850 1HB LYS 115 1HB LYS 115 7.645 -15.029 -3.013 851 2HB LYS 115 2HB LYS 115 8.917 -13.802 -2.842 852 1HG LYS 115 1HG LYS 115 10.017 -14.646 -4.469 853 2HG LYS 115 2HG LYS 115 10.107 -16.289 -3.704 854 1HD LYS 115 1HD LYS 115 7.875 -15.240 -5.407 855 2HD LYS 115 2HD LYS 115 9.288 -16.056 -6.060 856 1HE LYS 115 1HE LYS 115 8.264 -18.035 -5.581 857 2HE LYS 115 2HE LYS 115 8.668 -17.713 -3.901 858 1HZ LYS 115 1HZ LYS 115 6.515 -16.430 -3.852 859 2HZ LYS 115 2HZ LYS 115 6.152 -17.094 -5.307 860 3HZ LYS 115 3HZ LYS 115 6.340 -18.077 -3.984 861 H VAL 116 H VAL 116 10.120 -15.754 0.701 862 HA VAL 116 HA VAL 116 8.338 -14.133 2.227 863 HB VAL 116 HB VAL 116 11.148 -15.044 2.959 864 1HG1 VAL 116 1HG1 VAL 116 10.783 -13.720 4.746 865 2HG1 VAL 116 2HG1 VAL 116 9.036 -13.569 4.416 866 3HG1 VAL 116 3HG1 VAL 116 9.679 -14.965 5.319 867 1HG2 VAL 116 1HG2 VAL 116 8.921 -16.584 4.156 868 2HG2 VAL 116 2HG2 VAL 116 8.927 -16.671 2.439 869 3HG2 VAL 116 3HG2 VAL 116 10.356 -17.141 3.360 870 H PHE 117 H PHE 117 8.467 -12.323 0.705 871 HA PHE 117 HA PHE 117 10.313 -10.632 -0.087 872 1HB PHE 117 1HB PHE 117 7.900 -10.249 -0.379 873 2HB PHE 117 2HB PHE 117 7.733 -9.960 1.355 874 HD1 PHE 117 HD1 PHE 117 9.710 -8.670 -1.566 875 HD2 PHE 117 HD2 PHE 117 7.650 -7.776 2.134 876 HE1 PHE 117 HE1 PHE 117 10.181 -6.272 -1.887 877 HE2 PHE 117 HE2 PHE 117 8.047 -5.380 1.789 878 HZ PHE 117 HZ PHE 117 9.391 -4.658 -0.190 879 H CYS 118 H CYS 118 12.221 -10.347 1.027 880 HA CYS 118 HA CYS 118 12.146 -9.717 3.856 881 1HB CYS 118 1HB CYS 118 14.563 -9.630 2.046 882 2HB CYS 118 2HB CYS 118 14.464 -9.897 3.780 883 H GLY 119 H GLY 119 12.938 -8.128 0.760 884 1HA GLY 119 1HA GLY 119 11.882 -5.667 1.125 885 2HA GLY 119 2HA GLY 119 13.434 -5.542 2.010 886 H ILE 120 H ILE 120 14.400 -4.084 0.588 887 HA ILE 120 HA ILE 120 14.984 -5.231 -2.102 888 HB ILE 120 HB ILE 120 14.475 -2.317 -1.542 889 1HG1 ILE 120 1HG1 ILE 120 12.356 -3.975 -1.344 890 2HG1 ILE 120 2HG1 ILE 120 12.379 -2.432 -2.057 891 1HG2 ILE 120 1HG2 ILE 120 14.409 -2.109 -3.935 892 2HG2 ILE 120 2HG2 ILE 120 15.959 -2.918 -3.545 893 3HG2 ILE 120 3HG2 ILE 120 14.668 -3.855 -4.173 894 1HD1 ILE 120 1HD1 ILE 120 11.157 -4.024 -3.297 895 2HD1 ILE 120 2HD1 ILE 120 12.422 -3.286 -4.270 896 3HD1 ILE 120 3HD1 ILE 120 12.682 -4.949 -3.598 897 H ILE 121 H ILE 121 17.062 -5.063 -2.740 898 HA ILE 121 HA ILE 121 18.888 -3.602 -0.841 899 HB ILE 121 HB ILE 121 20.357 -5.341 -0.712 900 1HG1 ILE 121 1HG1 ILE 121 18.977 -6.576 -3.147 901 2HG1 ILE 121 2HG1 ILE 121 20.498 -5.873 -3.204 902 1HG2 ILE 121 1HG2 ILE 121 18.160 -5.790 0.419 903 2HG2 ILE 121 2HG2 ILE 121 17.751 -6.878 -0.899 904 3HG2 ILE 121 3HG2 ILE 121 19.097 -7.223 0.185 905 1HD1 ILE 121 1HD1 ILE 121 20.701 -7.742 -1.134 906 2HD1 ILE 121 2HD1 ILE 121 20.062 -8.598 -2.554 907 3HD1 ILE 121 3HD1 ILE 121 21.582 -7.753 -2.639 908 H ALA 122 H ALA 122 20.842 -2.855 -1.749 909 HA ALA 122 HA ALA 122 21.363 -3.021 -4.584 910 1HB ALA 122 1HB ALA 122 19.284 -1.394 -4.293 911 2HB ALA 122 2HB ALA 122 20.577 -0.256 -3.812 912 3HB ALA 122 3HB ALA 122 20.554 -1.005 -5.426 913 H HIS 123 H HIS 123 23.257 -1.754 -5.181 914 HA HIS 123 HA HIS 123 24.982 -1.342 -2.835 915 1HB HIS 123 1HB HIS 123 25.845 -1.336 -5.767 916 2HB HIS 123 2HB HIS 123 26.825 -1.543 -4.311 917 HD1 HIS 123 HD1 HIS 123 27.561 -3.955 -3.945 918 HD2 HIS 123 HD2 HIS 123 23.769 -3.561 -5.867 919 HE1 HIS 123 HE1 HIS 123 26.756 -6.304 -4.514 920 HE2 HIS 123 HE2 HIS 123 24.424 -6.063 -5.539 921 H THR 124 H THR 124 24.402 0.560 -2.025 922 HA THR 124 HA THR 124 24.457 2.949 -3.845 923 HB THR 124 HB THR 124 22.499 2.420 -2.266 924 HG1 THR 124 HG1 THR 124 22.385 4.730 -1.902 925 1HG2 THR 124 1HG2 THR 124 23.653 4.076 -0.182 926 2HG2 THR 124 2HG2 THR 124 22.724 2.519 -0.095 927 3HG2 THR 124 3HG2 THR 124 24.483 2.547 -0.292 928 H LYS 125 H LYS 125 26.844 1.818 -3.489 929 HA LYS 125 HA LYS 125 28.273 3.663 -1.546 930 1HB LYS 125 1HB LYS 125 28.448 1.162 -1.150 931 2HB LYS 125 2HB LYS 125 29.344 1.055 -2.666 932 1HG LYS 125 1HG LYS 125 31.204 1.607 -1.568 933 2HG LYS 125 2HG LYS 125 30.589 3.217 -1.267 934 1HD LYS 125 1HD LYS 125 29.799 2.781 0.864 935 2HD LYS 125 2HD LYS 125 29.722 1.034 0.631 936 1HE LYS 125 1HE LYS 125 32.303 2.638 0.754 937 2HE LYS 125 2HE LYS 125 31.606 1.674 2.087 938 1HZ LYS 125 1HZ LYS 125 32.527 -0.155 1.212 939 2HZ LYS 125 2HZ LYS 125 31.723 -0.002 -0.089 940 3HZ LYS 125 3HZ LYS 125 33.207 0.723 -0.039 941 H GLU 126 H GLU 126 27.922 2.648 -4.878 942 HA GLU 126 HA GLU 126 29.012 5.001 -5.888 943 1HB GLU 126 1HB GLU 126 31.075 3.148 -5.072 944 2HB GLU 126 2HB GLU 126 30.998 3.033 -6.789 945 1HG GLU 126 1HG GLU 126 30.956 5.781 -5.496 946 2HG GLU 126 2HG GLU 126 32.471 4.887 -5.590 947 H ASN 127 H ASN 127 29.374 1.608 -6.843 948 HA ASN 127 HA ASN 127 27.206 1.880 -8.798 949 1HB ASN 127 1HB ASN 127 29.724 2.506 -9.717 950 2HB ASN 127 2HB ASN 127 29.786 0.745 -9.879 951 1HD2 ASN 127 1HD2 ASN 127 30.037 1.434 -12.136 952 2HD2 ASN 127 2HD2 ASN 127 28.540 1.630 -13.079 953 H GLN 128 H GLN 128 29.838 -0.149 -7.585 954 HA GLN 128 HA GLN 128 28.011 -2.275 -6.969 955 1HB GLN 128 1HB GLN 128 29.577 -2.299 -9.495 956 2HB GLN 128 2HB GLN 128 30.004 -3.641 -8.473 957 1HG GLN 128 1HG GLN 128 27.235 -3.710 -8.251 958 2HG GLN 128 2HG GLN 128 27.474 -3.095 -9.886 959 1HE2 GLN 128 1HE2 GLN 128 26.353 -5.179 -10.262 960 2HE2 GLN 128 2HE2 GLN 128 27.416 -6.624 -10.408 961 H GLY 129 H GLY 129 28.788 -1.536 -4.930 962 1HA GLY 129 1HA GLY 129 31.425 -2.847 -4.216 963 2HA GLY 129 2HA GLY 129 30.906 -1.285 -3.550 964 H GLU 130 H GLU 130 29.645 -1.300 -1.757 965 HA GLU 130 HA GLU 130 29.060 -3.932 -0.548 966 1HB GLU 130 1HB GLU 130 29.535 -1.175 0.379 967 2HB GLU 130 2HB GLU 130 28.093 -1.842 1.124 968 1HG GLU 130 1HG GLU 130 29.217 -3.442 2.308 969 2HG GLU 130 2HG GLU 130 30.400 -3.750 1.025 970 H LEU 131 H LEU 131 26.999 -4.468 0.342 971 HA LEU 131 HA LEU 131 24.739 -3.276 -1.209 972 1HB LEU 131 1HB LEU 131 25.755 -6.002 -1.150 973 2HB LEU 131 2HB LEU 131 24.193 -5.995 -0.309 974 HG LEU 131 HG LEU 131 24.613 -4.670 -2.950 975 1HD1 LEU 131 1HD1 LEU 131 23.748 -7.533 -2.321 976 2HD1 LEU 131 2HD1 LEU 131 23.503 -6.843 -3.914 977 3HD1 LEU 131 3HD1 LEU 131 25.143 -7.121 -3.230 978 1HD2 LEU 131 1HD2 LEU 131 22.331 -4.763 -3.277 979 2HD2 LEU 131 2HD2 LEU 131 22.190 -5.676 -1.709 980 3HD2 LEU 131 3HD2 LEU 131 22.663 -4.002 -1.702 981 H LYS 132 H LYS 132 22.891 -2.894 -0.132 982 HA LYS 132 HA LYS 132 22.608 -3.546 2.738 983 1HB LYS 132 1HB LYS 132 22.199 -1.103 3.227 984 2HB LYS 132 2HB LYS 132 23.862 -1.614 3.002 985 1HG LYS 132 1HG LYS 132 23.646 -0.762 0.536 986 2HG LYS 132 2HG LYS 132 22.115 -0.053 1.030 987 1HD LYS 132 1HD LYS 132 24.611 0.467 2.718 988 2HD LYS 132 2HD LYS 132 24.569 1.086 1.111 989 1HE LYS 132 1HE LYS 132 22.125 1.930 1.792 990 2HE LYS 132 2HE LYS 132 22.705 1.704 3.448 991 1HZ LYS 132 1HZ LYS 132 24.047 3.541 3.239 992 2HZ LYS 132 2HZ LYS 132 24.501 3.161 1.708 993 3HZ LYS 132 3HZ LYS 132 23.098 3.925 1.931 994 H LEU 133 H LEU 133 20.524 -2.498 3.506 995 HA LEU 133 HA LEU 133 18.478 -3.368 1.558 996 1HB LEU 133 1HB LEU 133 18.583 -3.994 4.094 997 2HB LEU 133 2HB LEU 133 17.998 -2.400 4.421 998 HG LEU 133 HG LEU 133 16.013 -3.000 2.839 999 1HD1 LEU 133 1HD1 LEU 133 15.601 -5.532 2.699 1000 2HD1 LEU 133 2HD1 LEU 133 16.827 -4.893 1.666 1001 3HD1 LEU 133 3HD1 LEU 133 17.317 -5.746 3.096 1002 1HD2 LEU 133 1HD2 LEU 133 14.962 -4.505 4.637 1003 2HD2 LEU 133 2HD2 LEU 133 16.531 -4.427 5.449 1004 3HD2 LEU 133 3HD2 LEU 133 15.617 -2.946 5.169 1005 H CYS 134 H CYS 134 17.012 -2.012 0.629 1006 HA CYS 134 HA CYS 134 17.608 0.755 0.280 1007 1HB CYS 134 1HB CYS 134 15.059 -0.819 -0.267 1008 2HB CYS 134 2HB CYS 134 15.394 0.741 -0.892 1009 H SER 135 H SER 135 15.414 2.172 0.469 1010 HA SER 135 HA SER 135 14.152 1.892 3.099 1011 1HB SER 135 1HB SER 135 15.512 3.092 4.373 1012 2HB SER 135 2HB SER 135 16.698 3.111 3.053 1013 HG SER 135 HG SER 135 15.565 5.047 2.333 1014 H HIS 136 H HIS 136 12.187 2.439 2.601 1015 HA HIS 136 HA HIS 136 11.609 4.490 0.531 1016 1HB HIS 136 1HB HIS 136 9.229 3.700 1.119 1017 2HB HIS 136 2HB HIS 136 10.262 2.689 0.145 1018 HD1 HIS 136 HD1 HIS 136 10.246 2.898 3.876 1019 HD2 HIS 136 HD2 HIS 136 9.546 0.320 0.686 1020 HE1 HIS 136 HE1 HIS 136 9.913 0.451 4.955 1021 HE2 HIS 136 HE2 HIS 136 9.463 -1.133 2.927 Start of MODEL 4 1 1H ALA 1 H1 ALA 1 1.508 -0.877 0.490 2 2H ALA 1 H2 ALA 1 0.340 0.049 -0.227 3 3H ALA 1 H3 ALA 1 1.633 0.765 0.559 4 HA ALA 1 HA ALA 1 1.378 0.111 -2.077 5 1HB ALA 1 1HB ALA 1 2.562 2.047 -1.758 6 2HB ALA 1 2HB ALA 1 3.312 1.473 -0.245 7 3HB ALA 1 3HB ALA 1 3.948 0.944 -1.817 8 H VAL 2 H VAL 2 4.433 -0.615 -0.406 9 HA VAL 2 HA VAL 2 5.819 -2.353 -0.628 10 HB VAL 2 HB VAL 2 4.041 -3.179 0.964 11 1HG1 VAL 2 1HG1 VAL 2 2.135 -3.650 -0.191 12 2HG1 VAL 2 2HG1 VAL 2 2.974 -4.388 -1.582 13 3HG1 VAL 2 3HG1 VAL 2 2.791 -5.273 -0.076 14 1HG2 VAL 2 1HG2 VAL 2 6.292 -4.372 0.167 15 2HG2 VAL 2 2HG2 VAL 2 5.149 -5.147 1.277 16 3HG2 VAL 2 3HG2 VAL 2 5.133 -5.587 -0.434 17 H THR 3 H THR 3 6.239 -4.512 -1.890 18 HA THR 3 HA THR 3 5.438 -3.969 -4.699 19 HB THR 3 HB THR 3 7.811 -5.516 -3.633 20 HG1 THR 3 HG1 THR 3 7.556 -2.866 -4.636 21 1HG2 THR 3 1HG2 THR 3 7.641 -6.023 -5.880 22 2HG2 THR 3 2HG2 THR 3 6.845 -4.556 -6.334 23 3HG2 THR 3 3HG2 THR 3 8.573 -4.499 -5.987 24 H TRP 4 H TRP 4 3.919 -5.222 -5.574 25 HA TRP 4 HA TRP 4 3.209 -7.698 -4.243 26 1HB TRP 4 1HB TRP 4 2.029 -6.264 -6.647 27 2HB TRP 4 2HB TRP 4 1.413 -7.687 -5.866 28 HD1 TRP 4 HD1 TRP 4 2.458 -4.221 -4.425 29 HE1 TRP 4 HE1 TRP 4 0.588 -3.411 -2.862 30 HE3 TRP 4 HE3 TRP 4 -0.761 -8.120 -4.950 31 HZ2 TRP 4 HZ2 TRP 4 -1.982 -4.316 -1.992 32 HZ3 TRP 4 HZ3 TRP 4 -2.931 -8.120 -3.758 33 HH2 TRP 4 HH2 TRP 4 -3.557 -6.231 -2.278 34 H THR 5 H THR 5 3.631 -9.713 -5.045 35 HA THR 5 HA THR 5 5.022 -9.867 -7.679 36 HB THR 5 HB THR 5 6.041 -10.514 -4.979 37 HG1 THR 5 HG1 THR 5 7.945 -10.441 -6.471 38 1HG2 THR 5 1HG2 THR 5 6.250 -12.495 -7.278 39 2HG2 THR 5 2HG2 THR 5 7.458 -12.398 -5.988 40 3HG2 THR 5 3HG2 THR 5 5.780 -12.835 -5.585 41 H CYS 6 H CYS 6 4.524 -11.560 -8.941 42 HA CYS 6 HA CYS 6 2.584 -13.519 -7.820 43 1HB CYS 6 1HB CYS 6 2.202 -11.610 -10.001 44 2HB CYS 6 2HB CYS 6 1.989 -13.241 -10.528 45 H GLY 7 H GLY 7 4.892 -14.446 -7.522 46 1HA GLY 7 1HA GLY 7 6.609 -15.828 -8.226 47 2HA GLY 7 2HA GLY 7 5.271 -16.698 -9.008 48 H GLY 8 H GLY 8 7.517 -13.920 -9.499 49 1HA GLY 8 1HA GLY 8 8.465 -14.770 -11.995 50 2HA GLY 8 2HA GLY 8 7.085 -13.696 -12.308 51 H LEU 9 H LEU 9 7.132 -11.499 -11.336 52 HA LEU 9 HA LEU 9 9.834 -10.570 -10.603 53 1HB LEU 9 1HB LEU 9 8.125 -9.650 -12.934 54 2HB LEU 9 2HB LEU 9 9.244 -8.540 -12.146 55 HG LEU 9 HG LEU 9 10.165 -11.227 -13.242 56 1HD1 LEU 9 1HD1 LEU 9 11.049 -9.606 -15.148 57 2HD1 LEU 9 2HD1 LEU 9 9.446 -10.342 -15.213 58 3HD1 LEU 9 3HD1 LEU 9 9.644 -8.671 -14.689 59 1HD2 LEU 9 1HD2 LEU 9 12.222 -9.317 -13.379 60 2HD2 LEU 9 2HD2 LEU 9 11.443 -9.002 -11.825 61 3HD2 LEU 9 3HD2 LEU 9 12.044 -10.624 -12.204 62 H LEU 10 H LEU 10 9.743 -8.321 -9.734 63 HA LEU 10 HA LEU 10 7.501 -8.189 -7.862 64 1HB LEU 10 1HB LEU 10 10.311 -7.204 -8.010 65 2HB LEU 10 2HB LEU 10 9.181 -6.057 -7.384 66 HG LEU 10 HG LEU 10 8.378 -7.972 -5.772 67 1HD1 LEU 10 1HD1 LEU 10 11.116 -9.114 -6.287 68 2HD1 LEU 10 2HD1 LEU 10 9.725 -9.823 -5.427 69 3HD1 LEU 10 3HD1 LEU 10 9.706 -9.676 -7.198 70 1HD2 LEU 10 1HD2 LEU 10 9.875 -7.274 -4.117 71 2HD2 LEU 10 2HD2 LEU 10 11.221 -7.051 -5.269 72 3HD2 LEU 10 3HD2 LEU 10 9.903 -5.926 -5.232 73 H TYR 11 H TYR 11 5.930 -6.712 -7.818 74 HA TYR 11 HA TYR 11 5.893 -4.704 -9.991 75 1HB TYR 11 1HB TYR 11 3.612 -6.322 -8.771 76 2HB TYR 11 2HB TYR 11 3.438 -5.145 -10.027 77 HD1 TYR 11 HD1 TYR 11 3.981 -8.605 -9.275 78 HD2 TYR 11 HD2 TYR 11 4.761 -5.577 -12.243 79 HE1 TYR 11 HE1 TYR 11 4.373 -10.395 -11.018 80 HE2 TYR 11 HE2 TYR 11 5.116 -7.376 -13.954 81 HH TYR 11 HH TYR 11 5.023 -9.523 -14.379 82 H ASN 12 H ASN 12 6.326 -2.816 -8.986 83 HA ASN 12 HA ASN 12 5.738 -2.258 -6.303 84 1HB ASN 12 1HB ASN 12 7.328 -0.881 -7.613 85 2HB ASN 12 2HB ASN 12 6.016 -0.367 -8.691 86 1HD2 ASN 12 1HD2 ASN 12 6.159 -0.721 -5.147 87 2HD2 ASN 12 2HD2 ASN 12 5.747 0.940 -4.783 88 H GLN 13 H GLN 13 3.733 -2.212 -5.366 89 HA GLN 13 HA GLN 13 1.335 -2.327 -6.520 90 1HB GLN 13 1HB GLN 13 1.671 -2.297 -4.150 91 2HB GLN 13 2HB GLN 13 2.060 -0.607 -4.122 92 1HG GLN 13 1HG GLN 13 -0.199 -0.536 -3.516 93 2HG GLN 13 2HG GLN 13 -0.356 -0.334 -5.241 94 1HE2 GLN 13 1HE2 GLN 13 -0.485 -2.426 -6.530 95 2HE2 GLN 13 2HE2 GLN 13 -1.507 -3.668 -5.846 96 H ASN 14 H ASN 14 3.109 0.769 -5.896 97 HA ASN 14 HA ASN 14 1.238 2.588 -6.726 98 1HB ASN 14 1HB ASN 14 3.901 2.723 -6.132 99 2HB ASN 14 2HB ASN 14 3.979 2.960 -7.884 100 1HD2 ASN 14 1HD2 ASN 14 4.656 4.788 -5.827 101 2HD2 ASN 14 2HD2 ASN 14 3.606 6.182 -6.045 102 H LYS 15 H LYS 15 3.604 0.835 -8.833 103 HA LYS 15 HA LYS 15 2.680 1.876 -11.296 104 1HB LYS 15 1HB LYS 15 4.453 -0.297 -10.362 105 2HB LYS 15 2HB LYS 15 3.631 -0.694 -11.856 106 1HG LYS 15 1HG LYS 15 4.804 0.826 -13.057 107 2HG LYS 15 2HG LYS 15 4.658 2.094 -11.855 108 1HD LYS 15 1HD LYS 15 6.482 -0.206 -11.172 109 2HD LYS 15 2HD LYS 15 7.022 0.934 -12.385 110 1HE LYS 15 1HE LYS 15 6.543 2.839 -10.841 111 2HE LYS 15 2HE LYS 15 6.154 1.671 -9.569 112 1HZ LYS 15 1HZ LYS 15 8.712 1.472 -10.996 113 2HZ LYS 15 2HZ LYS 15 8.549 2.569 -9.783 114 3HZ LYS 15 3HZ LYS 15 8.341 0.964 -9.485 115 H ALA 16 H ALA 16 1.431 -0.677 -9.200 116 HA ALA 16 HA ALA 16 -0.220 -1.974 -11.053 117 1HB ALA 16 1HB ALA 16 -1.273 -1.648 -8.272 118 2HB ALA 16 2HB ALA 16 -0.966 -3.089 -9.233 119 3HB ALA 16 3HB ALA 16 0.371 -2.296 -8.406 120 H GLU 17 H GLU 17 -1.407 0.315 -8.522 121 HA GLU 17 HA GLU 17 -3.792 0.872 -9.923 122 1HB GLU 17 1HB GLU 17 -3.818 2.914 -8.319 123 2HB GLU 17 2HB GLU 17 -3.891 1.298 -7.619 124 1HG GLU 17 1HG GLU 17 -1.657 1.360 -6.869 125 2HG GLU 17 2HG GLU 17 -1.199 2.627 -7.992 126 H SER 18 H SER 18 -0.620 2.460 -9.855 127 HA SER 18 HA SER 18 -1.309 4.822 -11.183 128 1HB SER 18 1HB SER 18 0.865 4.473 -10.019 129 2HB SER 18 2HB SER 18 1.345 3.342 -11.286 130 HG SER 18 HG SER 18 2.022 5.654 -11.397 131 H ASN 19 H ASN 19 0.468 1.964 -12.576 132 HA ASN 19 HA ASN 19 0.342 2.582 -15.201 133 1HB ASN 19 1HB ASN 19 1.448 0.538 -14.304 134 2HB ASN 19 2HB ASN 19 -0.168 -0.173 -14.055 135 1HD2 ASN 19 1HD2 ASN 19 1.206 1.743 -16.710 136 2HD2 ASN 19 2HD2 ASN 19 0.875 0.592 -17.936 137 H SER 20 H SER 20 -2.258 1.554 -13.087 138 HA SER 20 HA SER 20 -4.088 1.033 -15.265 139 1HB SER 20 1HB SER 20 -5.054 -0.177 -13.672 140 2HB SER 20 2HB SER 20 -3.974 0.468 -12.444 141 HG SER 20 HG SER 20 -5.375 2.059 -11.972 142 H HIS 21 H HIS 21 -3.488 3.582 -12.841 143 HA HIS 21 HA HIS 21 -5.674 5.175 -13.005 144 1HB HIS 21 1HB HIS 21 -2.728 5.809 -12.687 145 2HB HIS 21 2HB HIS 21 -3.839 7.101 -12.909 146 HD1 HIS 21 HD1 HIS 21 -3.247 7.894 -10.457 147 HD2 HIS 21 HD2 HIS 21 -5.148 4.149 -10.760 148 HE1 HIS 21 HE1 HIS 21 -4.057 7.281 -8.080 149 HE2 HIS 21 HE2 HIS 21 -5.221 4.982 -8.307 150 H HIS 22 H HIS 22 -3.053 4.816 -15.441 151 HA HIS 22 HA HIS 22 -4.108 6.860 -17.113 152 1HB HIS 22 1HB HIS 22 -2.376 4.792 -18.307 153 2HB HIS 22 2HB HIS 22 -2.241 6.535 -18.334 154 HD1 HIS 22 HD1 HIS 22 -0.120 4.087 -17.574 155 HD2 HIS 22 HD2 HIS 22 -1.785 7.054 -15.123 156 HE1 HIS 22 HE1 HIS 22 1.495 4.354 -15.594 157 HE2 HIS 22 HE2 HIS 22 0.454 6.196 -14.080 158 H ALA 23 H ALA 23 -4.138 3.252 -17.145 159 HA ALA 23 HA ALA 23 -5.381 2.690 -19.408 160 1HB ALA 23 1HB ALA 23 -6.544 1.345 -17.023 161 2HB ALA 23 2HB ALA 23 -5.805 0.687 -18.492 162 3HB ALA 23 3HB ALA 23 -4.777 1.287 -17.203 163 HA PRO 24 HA PRO 24 -9.184 4.907 -19.198 164 1HB PRO 24 1HB PRO 24 -10.413 3.801 -21.445 165 2HB PRO 24 2HB PRO 24 -9.226 5.135 -21.471 166 1HG PRO 24 1HG PRO 24 -8.901 2.334 -22.185 167 2HG PRO 24 2HG PRO 24 -7.874 3.711 -22.681 168 1HD PRO 24 1HD PRO 24 -7.275 1.735 -20.704 169 2HD PRO 24 2HD PRO 24 -6.366 3.195 -21.066 170 H LEU 25 H LEU 25 -10.792 4.601 -17.829 171 HA LEU 25 HA LEU 25 -11.465 2.060 -16.884 172 1HB LEU 25 1HB LEU 25 -11.795 4.556 -15.949 173 2HB LEU 25 2HB LEU 25 -13.400 4.331 -16.629 174 HG LEU 25 HG LEU 25 -13.916 2.557 -15.176 175 1HD1 LEU 25 1HD1 LEU 25 -10.967 2.262 -14.884 176 2HD1 LEU 25 2HD1 LEU 25 -11.972 1.830 -13.477 177 3HD1 LEU 25 3HD1 LEU 25 -12.242 1.057 -15.034 178 1HD2 LEU 25 1HD2 LEU 25 -13.094 3.569 -12.895 179 2HD2 LEU 25 2HD2 LEU 25 -12.515 4.883 -13.881 180 3HD2 LEU 25 3HD2 LEU 25 -14.236 4.440 -13.893 181 H SER 26 H SER 26 -11.966 0.625 -18.485 182 HA SER 26 HA SER 26 -14.643 0.426 -19.215 183 1HB SER 26 1HB SER 26 -12.932 1.988 -21.074 184 2HB SER 26 2HB SER 26 -13.808 0.665 -21.847 185 HG SER 26 HG SER 26 -15.710 1.623 -20.654 186 H ASP 27 H ASP 27 -14.987 -1.432 -20.743 187 HA ASP 27 HA ASP 27 -12.784 -3.339 -20.443 188 1HB ASP 27 1HB ASP 27 -14.539 -4.468 -19.561 189 2HB ASP 27 2HB ASP 27 -15.718 -3.490 -20.404 190 H GLY 28 H GLY 28 -11.744 -4.076 -22.233 191 1HA GLY 28 1HA GLY 28 -11.091 -4.121 -24.437 192 2HA GLY 28 2HA GLY 28 -12.744 -4.749 -24.692 193 H LYS 29 H LYS 29 -10.891 -1.707 -24.323 194 HA LYS 29 HA LYS 29 -12.278 -0.557 -26.597 195 1HB LYS 29 1HB LYS 29 -12.980 0.162 -23.791 196 2HB LYS 29 2HB LYS 29 -12.650 1.530 -24.829 197 1HG LYS 29 1HG LYS 29 -14.325 -0.400 -26.275 198 2HG LYS 29 2HG LYS 29 -15.032 -0.054 -24.717 199 1HD LYS 29 1HD LYS 29 -15.907 1.750 -25.773 200 2HD LYS 29 2HD LYS 29 -14.339 2.500 -25.544 201 1HE LYS 29 1HE LYS 29 -13.811 2.419 -27.760 202 2HE LYS 29 2HE LYS 29 -14.367 0.746 -27.915 203 1HZ LYS 29 1HZ LYS 29 -15.851 1.981 -29.185 204 2HZ LYS 29 2HZ LYS 29 -16.678 1.721 -27.790 205 3HZ LYS 29 3HZ LYS 29 -15.998 3.188 -28.063 206 H THR 30 H THR 30 -9.570 -1.399 -25.714 207 HA THR 30 HA THR 30 -8.221 1.221 -26.127 208 HB THR 30 HB THR 30 -6.387 0.268 -24.746 209 HG1 THR 30 HG1 THR 30 -7.196 -1.945 -25.434 210 1HG2 THR 30 1HG2 THR 30 -8.475 -0.433 -22.858 211 2HG2 THR 30 2HG2 THR 30 -7.392 0.967 -22.885 212 3HG2 THR 30 3HG2 THR 30 -8.947 1.000 -23.749 213 H GLY 31 H GLY 31 -6.399 1.224 -27.477 214 1HA GLY 31 1HA GLY 31 -6.532 0.048 -29.893 215 2HA GLY 31 2HA GLY 31 -4.999 0.407 -29.115 216 H SER 32 H SER 32 -4.526 -1.291 -27.203 217 HA SER 32 HA SER 32 -4.082 -3.753 -28.646 218 1HB SER 32 1HB SER 32 -2.364 -3.137 -27.121 219 2HB SER 32 2HB SER 32 -3.520 -2.818 -25.820 220 HG SER 32 HG SER 32 -3.666 -5.399 -26.822 221 H SER 33 H SER 33 -5.650 -3.222 -25.420 222 HA SER 33 HA SER 33 -8.086 -4.378 -26.041 223 1HB SER 33 1HB SER 33 -7.860 -6.642 -25.002 224 2HB SER 33 2HB SER 33 -6.929 -6.501 -26.476 225 HG SER 33 HG SER 33 -5.644 -7.471 -24.922 226 H TYR 34 H TYR 34 -5.687 -4.923 -23.421 227 HA TYR 34 HA TYR 34 -7.421 -4.567 -21.357 228 1HB TYR 34 1HB TYR 34 -4.459 -3.900 -21.456 229 2HB TYR 34 2HB TYR 34 -5.354 -4.316 -20.011 230 HD1 TYR 34 HD1 TYR 34 -3.785 -5.609 -23.073 231 HD2 TYR 34 HD2 TYR 34 -6.053 -6.639 -19.592 232 HE1 TYR 34 HE1 TYR 34 -3.230 -8.036 -23.437 233 HE2 TYR 34 HE2 TYR 34 -5.505 -9.091 -19.981 234 HH TYR 34 HH TYR 34 -4.840 -10.434 -22.338 235 HA PRO 35 HA PRO 35 -7.322 -3.809 -19.328 236 1HB PRO 35 1HB PRO 35 -9.262 -2.523 -17.865 237 2HB PRO 35 2HB PRO 35 -7.530 -2.405 -17.551 238 1HG PRO 35 1HG PRO 35 -9.326 -0.411 -18.784 239 2HG PRO 35 2HG PRO 35 -7.738 -0.181 -18.044 240 1HD PRO 35 1HD PRO 35 -8.368 -0.260 -20.828 241 2HD PRO 35 2HD PRO 35 -6.745 -0.153 -20.139 242 H HIS 36 H HIS 36 -9.251 -5.077 -18.633 243 HA HIS 36 HA HIS 36 -11.505 -4.813 -20.454 244 1HB HIS 36 1HB HIS 36 -11.374 -7.130 -21.199 245 2HB HIS 36 2HB HIS 36 -10.024 -6.166 -21.783 246 HD1 HIS 36 HD1 HIS 36 -10.374 -9.430 -21.062 247 HD2 HIS 36 HD2 HIS 36 -8.047 -6.495 -19.177 248 HE1 HIS 36 HE1 HIS 36 -8.443 -10.675 -19.868 249 HE2 HIS 36 HE2 HIS 36 -7.039 -8.796 -18.761 250 H TRP 37 H TRP 37 -13.292 -6.327 -19.870 251 HA TRP 37 HA TRP 37 -13.777 -6.119 -17.089 252 1HB TRP 37 1HB TRP 37 -15.618 -6.178 -18.582 253 2HB TRP 37 2HB TRP 37 -15.093 -7.671 -19.310 254 HD1 TRP 37 HD1 TRP 37 -15.909 -6.767 -15.616 255 HE1 TRP 37 HE1 TRP 37 -17.473 -8.565 -14.617 256 HE3 TRP 37 HE3 TRP 37 -16.275 -9.654 -19.731 257 HZ2 TRP 37 HZ2 TRP 37 -18.696 -10.959 -15.544 258 HZ3 TRP 37 HZ3 TRP 37 -17.707 -11.696 -19.686 259 HH2 TRP 37 HH2 TRP 37 -18.857 -12.342 -17.614 260 H PHE 38 H PHE 38 -13.291 -7.467 -15.438 261 HA PHE 38 HA PHE 38 -11.810 -9.902 -16.003 262 1HB PHE 38 1HB PHE 38 -10.632 -8.235 -14.644 263 2HB PHE 38 2HB PHE 38 -12.040 -7.994 -13.645 264 HD1 PHE 38 HD1 PHE 38 -10.553 -11.257 -14.728 265 HD2 PHE 38 HD2 PHE 38 -11.340 -8.581 -11.497 266 HE1 PHE 38 HE1 PHE 38 -9.752 -12.966 -13.124 267 HE2 PHE 38 HE2 PHE 38 -10.529 -10.314 -9.870 268 HZ PHE 38 HZ PHE 38 -9.730 -12.465 -10.695 269 H THR 39 H THR 39 -13.902 -10.936 -16.509 270 HA THR 39 HA THR 39 -16.096 -11.317 -15.022 271 HB THR 39 HB THR 39 -16.081 -13.666 -15.865 272 HG1 THR 39 HG1 THR 39 -13.357 -12.967 -16.319 273 1HG2 THR 39 1HG2 THR 39 -15.520 -11.411 -17.494 274 2HG2 THR 39 2HG2 THR 39 -14.576 -12.702 -18.166 275 3HG2 THR 39 3HG2 THR 39 -16.303 -12.936 -17.980 276 H ASN 40 H ASN 40 -12.874 -12.629 -14.164 277 HA ASN 40 HA ASN 40 -12.060 -13.392 -12.233 278 1HB ASN 40 1HB ASN 40 -12.988 -11.271 -11.267 279 2HB ASN 40 2HB ASN 40 -14.512 -12.075 -10.974 280 1HD2 ASN 40 1HD2 ASN 40 -14.156 -11.390 -8.805 281 2HD2 ASN 40 2HD2 ASN 40 -13.226 -12.430 -7.736 282 H GLY 41 H GLY 41 -14.461 -14.686 -13.827 283 1HA GLY 41 1HA GLY 41 -14.753 -17.097 -13.507 284 2HA GLY 41 2HA GLY 41 -15.082 -16.776 -11.791 285 H TYR 42 H TYR 42 -16.620 -14.304 -12.266 286 HA TYR 42 HA TYR 42 -19.189 -15.310 -12.310 287 1HB TYR 42 1HB TYR 42 -17.961 -12.638 -13.018 288 2HB TYR 42 2HB TYR 42 -19.657 -12.821 -13.051 289 HD1 TYR 42 HD1 TYR 42 -20.901 -13.417 -10.955 290 HD2 TYR 42 HD2 TYR 42 -16.747 -12.343 -10.892 291 HE1 TYR 42 HE1 TYR 42 -20.988 -12.967 -8.448 292 HE2 TYR 42 HE2 TYR 42 -16.889 -11.880 -8.437 293 HH TYR 42 HH TYR 42 -19.972 -12.136 -6.703 294 H ASP 43 H ASP 43 -20.957 -14.880 -13.881 295 HA ASP 43 HA ASP 43 -20.091 -15.822 -16.496 296 1HB ASP 43 1HB ASP 43 -22.564 -15.746 -14.894 297 2HB ASP 43 2HB ASP 43 -22.867 -15.130 -16.513 298 H GLY 44 H GLY 44 -21.526 -12.941 -15.010 299 1HA GLY 44 1HA GLY 44 -20.688 -10.825 -16.051 300 2HA GLY 44 2HA GLY 44 -21.259 -11.489 -17.585 301 H ASP 45 H ASP 45 -22.773 -11.649 -14.318 302 HA ASP 45 HA ASP 45 -24.821 -9.746 -15.196 303 1HB ASP 45 1HB ASP 45 -25.185 -12.617 -15.190 304 2HB ASP 45 2HB ASP 45 -26.080 -11.997 -13.832 305 H GLY 46 H GLY 46 -24.486 -12.190 -12.592 306 1HA GLY 46 1HA GLY 46 -24.017 -10.069 -10.618 307 2HA GLY 46 2HA GLY 46 -25.472 -11.082 -10.422 308 H LYS 47 H LYS 47 -25.019 -13.539 -10.552 309 HA LYS 47 HA LYS 47 -22.624 -14.085 -8.885 310 1HB LYS 47 1HB LYS 47 -23.838 -16.092 -8.165 311 2HB LYS 47 2HB LYS 47 -24.692 -14.604 -7.770 312 1HG LYS 47 1HG LYS 47 -26.388 -14.973 -9.310 313 2HG LYS 47 2HG LYS 47 -25.366 -15.895 -10.417 314 1HD LYS 47 1HD LYS 47 -25.435 -17.862 -9.039 315 2HD LYS 47 2HD LYS 47 -26.144 -16.967 -7.686 316 1HE LYS 47 1HE LYS 47 -27.975 -16.454 -9.703 317 2HE LYS 47 2HE LYS 47 -27.444 -18.083 -10.138 318 1HZ LYS 47 1HZ LYS 47 -28.265 -17.368 -7.393 319 2HZ LYS 47 2HZ LYS 47 -29.343 -17.907 -8.511 320 3HZ LYS 47 3HZ LYS 47 -28.100 -18.875 -8.029 321 H LEU 48 H LEU 48 -21.978 -16.547 -9.199 322 HA LEU 48 HA LEU 48 -21.438 -16.798 -12.086 323 1HB LEU 48 1HB LEU 48 -19.793 -18.404 -10.257 324 2HB LEU 48 2HB LEU 48 -19.362 -17.403 -11.630 325 HG LEU 48 HG LEU 48 -19.779 -15.413 -10.027 326 1HD1 LEU 48 1HD1 LEU 48 -20.269 -17.627 -8.239 327 2HD1 LEU 48 2HD1 LEU 48 -18.915 -16.662 -7.644 328 3HD1 LEU 48 3HD1 LEU 48 -20.463 -15.884 -7.957 329 1HD2 LEU 48 1HD2 LEU 48 -17.574 -15.199 -9.965 330 2HD2 LEU 48 2HD2 LEU 48 -17.355 -16.714 -9.070 331 3HD2 LEU 48 3HD2 LEU 48 -17.518 -16.766 -10.785 332 HA PRO 49 HA PRO 49 -23.559 -20.570 -12.206 333 1HB PRO 49 1HB PRO 49 -21.998 -22.119 -13.924 334 2HB PRO 49 2HB PRO 49 -23.119 -20.832 -14.438 335 1HG PRO 49 1HG PRO 49 -20.151 -20.793 -14.340 336 2HG PRO 49 2HG PRO 49 -21.269 -19.761 -15.261 337 1HD PRO 49 1HD PRO 49 -19.896 -19.109 -12.838 338 2HD PRO 49 2HD PRO 49 -21.071 -18.109 -13.693 339 H LYS 50 H LYS 50 -23.567 -22.905 -11.756 340 HA LYS 50 HA LYS 50 -22.160 -23.407 -9.342 341 1HB LYS 50 1HB LYS 50 -24.152 -24.517 -9.403 342 2HB LYS 50 2HB LYS 50 -24.032 -24.919 -11.104 343 1HG LYS 50 1HG LYS 50 -21.954 -26.159 -9.324 344 2HG LYS 50 2HG LYS 50 -23.584 -26.720 -9.051 345 1HD LYS 50 1HD LYS 50 -23.713 -27.837 -11.062 346 2HD LYS 50 2HD LYS 50 -22.899 -26.579 -11.951 347 1HE LYS 50 1HE LYS 50 -21.018 -27.803 -12.002 348 2HE LYS 50 2HE LYS 50 -20.860 -27.560 -10.276 349 1HZ LYS 50 1HZ LYS 50 -21.181 -29.734 -10.080 350 2HZ LYS 50 2HZ LYS 50 -22.749 -29.514 -10.546 351 3HZ LYS 50 3HZ LYS 50 -21.611 -29.907 -11.669 352 H GLY 51 H GLY 51 -19.974 -23.172 -9.626 353 1HA GLY 51 1HA GLY 51 -18.152 -24.979 -9.785 354 2HA GLY 51 2HA GLY 51 -18.642 -25.104 -11.489 355 H ARG 52 H ARG 52 -17.949 -22.408 -9.153 356 HA ARG 52 HA ARG 52 -15.804 -21.528 -10.855 357 1HB ARG 52 1HB ARG 52 -18.471 -20.126 -10.713 358 2HB ARG 52 2HB ARG 52 -17.043 -19.092 -10.624 359 1HG ARG 52 1HG ARG 52 -17.534 -21.128 -12.837 360 2HG ARG 52 2HG ARG 52 -17.894 -19.446 -12.979 361 1HD ARG 52 1HD ARG 52 -15.724 -18.846 -13.243 362 2HD ARG 52 2HD ARG 52 -15.135 -19.958 -12.035 363 HE ARG 52 HE ARG 52 -16.059 -21.259 -14.469 364 1HH1 ARG 52 2HH2 ARG 52 -13.335 -19.759 -12.921 365 2HH1 ARG 52 1HH2 ARG 52 -12.147 -20.570 -13.881 366 1HH2 ARG 52 2HH1 ARG 52 -14.523 -22.312 -15.750 367 2HH2 ARG 52 1HH1 ARG 52 -12.837 -22.028 -15.511 368 H THR 53 H THR 53 -14.321 -20.221 -9.775 369 HA THR 53 HA THR 53 -14.998 -19.462 -7.016 370 HB THR 53 HB THR 53 -12.812 -21.312 -7.871 371 HG1 THR 53 HG1 THR 53 -14.768 -21.193 -5.803 372 1HG2 THR 53 1HG2 THR 53 -11.451 -20.491 -6.255 373 2HG2 THR 53 2HG2 THR 53 -12.632 -19.243 -5.820 374 3HG2 THR 53 3HG2 THR 53 -12.717 -20.837 -5.061 375 HA PRO 54 HA PRO 54 -12.983 -15.983 -8.924 376 1HB PRO 54 1HB PRO 54 -14.228 -14.070 -7.311 377 2HB PRO 54 2HB PRO 54 -14.911 -14.663 -8.833 378 1HG PRO 54 1HG PRO 54 -15.744 -15.254 -6.083 379 2HG PRO 54 2HG PRO 54 -16.638 -15.440 -7.599 380 1HD PRO 54 1HD PRO 54 -15.336 -17.494 -6.071 381 2HD PRO 54 2HD PRO 54 -16.124 -17.692 -7.638 382 H ILE 55 H ILE 55 -11.618 -14.202 -8.084 383 HA ILE 55 HA ILE 55 -9.932 -15.307 -6.033 384 HB ILE 55 HB ILE 55 -9.612 -12.617 -7.411 385 1HG1 ILE 55 1HG1 ILE 55 -8.971 -15.409 -8.466 386 2HG1 ILE 55 2HG1 ILE 55 -9.942 -14.161 -9.207 387 1HG2 ILE 55 1HG2 ILE 55 -8.139 -12.996 -5.542 388 2HG2 ILE 55 2HG2 ILE 55 -7.690 -14.617 -6.134 389 3HG2 ILE 55 3HG2 ILE 55 -7.193 -13.177 -7.007 390 1HD1 ILE 55 1HD1 ILE 55 -7.703 -12.757 -9.002 391 2HD1 ILE 55 2HD1 ILE 55 -7.001 -14.383 -9.105 392 3HD1 ILE 55 3HD1 ILE 55 -8.077 -13.763 -10.383 393 H LYS 56 H LYS 56 -9.929 -14.793 -3.941 394 HA LYS 56 HA LYS 56 -11.924 -12.866 -3.029 395 1HB LYS 56 1HB LYS 56 -11.833 -15.014 -1.890 396 2HB LYS 56 2HB LYS 56 -10.104 -14.841 -1.563 397 1HG LYS 56 1HG LYS 56 -11.254 -14.275 0.489 398 2HG LYS 56 2HG LYS 56 -10.654 -12.795 -0.151 399 1HD LYS 56 1HD LYS 56 -12.809 -12.035 0.149 400 2HD LYS 56 2HD LYS 56 -13.130 -12.832 -1.385 401 1HE LYS 56 1HE LYS 56 -13.504 -14.990 0.050 402 2HE LYS 56 2HE LYS 56 -13.656 -13.867 1.412 403 1HZ LYS 56 1HZ LYS 56 -15.526 -12.865 0.398 404 2HZ LYS 56 2HZ LYS 56 -15.230 -13.452 -1.071 405 3HZ LYS 56 3HZ LYS 56 -15.761 -14.451 0.101 406 H PHE 57 H PHE 57 -11.427 -11.165 -1.542 407 HA PHE 57 HA PHE 57 -8.632 -10.209 -1.590 408 1HB PHE 57 1HB PHE 57 -11.077 -8.465 -2.178 409 2HB PHE 57 2HB PHE 57 -9.382 -8.023 -2.366 410 HD1 PHE 57 HD1 PHE 57 -12.304 -9.627 -3.883 411 HD2 PHE 57 HD2 PHE 57 -8.076 -9.034 -4.217 412 HE1 PHE 57 HE1 PHE 57 -12.399 -10.320 -6.276 413 HE2 PHE 57 HE2 PHE 57 -8.203 -9.738 -6.672 414 HZ PHE 57 HZ PHE 57 -10.342 -10.396 -7.637 415 H GLY 58 H GLY 58 -11.974 -9.615 -0.395 416 1HA GLY 58 1HA GLY 58 -12.227 -9.810 2.083 417 2HA GLY 58 2HA GLY 58 -10.807 -8.755 2.209 418 H LYS 59 H LYS 59 -12.405 -7.712 -0.514 419 HA LYS 59 HA LYS 59 -13.744 -5.586 1.026 420 1HB LYS 59 1HB LYS 59 -12.109 -5.670 -1.405 421 2HB LYS 59 2HB LYS 59 -13.680 -4.958 -1.763 422 1HG LYS 59 1HG LYS 59 -12.260 -4.068 0.769 423 2HG LYS 59 2HG LYS 59 -11.631 -3.505 -0.777 424 1HD LYS 59 1HD LYS 59 -14.004 -2.761 -1.355 425 2HD LYS 59 2HD LYS 59 -14.448 -3.123 0.318 426 1HE LYS 59 1HE LYS 59 -12.250 -1.582 0.757 427 2HE LYS 59 2HE LYS 59 -12.726 -0.923 -0.815 428 1HZ LYS 59 1HZ LYS 59 -14.941 -1.250 0.951 429 2HZ LYS 59 2HZ LYS 59 -13.802 -0.221 1.573 430 3HZ LYS 59 3HZ LYS 59 -14.500 0.056 0.097 431 H SER 60 H SER 60 -15.856 -5.025 0.739 432 HA SER 60 HA SER 60 -17.503 -7.240 -0.155 433 1HB SER 60 1HB SER 60 -17.810 -5.520 1.871 434 2HB SER 60 2HB SER 60 -18.653 -4.575 0.637 435 HG SER 60 HG SER 60 -19.496 -6.790 1.982 436 H ASP 61 H ASP 61 -16.019 -4.590 -1.657 437 HA ASP 61 HA ASP 61 -18.159 -4.031 -3.529 438 1HB ASP 61 1HB ASP 61 -15.254 -3.098 -3.497 439 2HB ASP 61 2HB ASP 61 -16.535 -2.476 -4.525 440 H CYS 62 H CYS 62 -14.769 -5.315 -3.545 441 HA CYS 62 HA CYS 62 -14.964 -6.189 -6.288 442 1HB CYS 62 1HB CYS 62 -12.852 -5.489 -4.951 443 2HB CYS 62 2HB CYS 62 -12.900 -7.121 -4.270 444 H ASP 63 H ASP 63 -16.100 -7.335 -3.282 445 HA ASP 63 HA ASP 63 -16.022 -10.148 -4.044 446 1HB ASP 63 1HB ASP 63 -15.707 -9.681 -1.708 447 2HB ASP 63 2HB ASP 63 -17.152 -8.627 -1.673 448 H ARG 64 H ARG 64 -18.318 -7.395 -3.680 449 HA ARG 64 HA ARG 64 -20.672 -8.706 -3.919 450 1HB ARG 64 1HB ARG 64 -21.469 -6.633 -4.070 451 2HB ARG 64 2HB ARG 64 -19.819 -6.058 -4.047 452 1HG ARG 64 1HG ARG 64 -19.697 -6.185 -6.531 453 2HG ARG 64 2HG ARG 64 -21.410 -6.527 -6.555 454 1HD ARG 64 1HD ARG 64 -20.246 -4.018 -6.495 455 2HD ARG 64 2HD ARG 64 -21.959 -4.453 -6.473 456 HE ARG 64 HE ARG 64 -20.349 -3.689 -4.161 457 1HH1 ARG 64 2HH2 ARG 64 -23.300 -5.164 -5.249 458 2HH1 ARG 64 1HH2 ARG 64 -24.146 -4.920 -3.758 459 1HH2 ARG 64 2HH1 ARG 64 -21.437 -3.371 -2.218 460 2HH2 ARG 64 1HH1 ARG 64 -23.069 -3.892 -2.026 461 HA PRO 65 HA PRO 65 -20.985 -10.212 -7.973 462 1HB PRO 65 1HB PRO 65 -23.604 -9.690 -8.675 463 2HB PRO 65 2HB PRO 65 -23.047 -11.018 -7.610 464 1HG PRO 65 1HG PRO 65 -24.448 -8.541 -6.895 465 2HG PRO 65 2HG PRO 65 -24.288 -10.081 -5.989 466 1HD PRO 65 1HD PRO 65 -22.847 -7.659 -5.564 467 2HD PRO 65 2HD PRO 65 -22.595 -9.193 -4.737 468 HA PRO 66 HA PRO 66 -20.159 -6.700 -10.527 469 1HB PRO 66 1HB PRO 66 -19.089 -8.090 -12.684 470 2HB PRO 66 2HB PRO 66 -18.175 -7.631 -11.212 471 1HG PRO 66 1HG PRO 66 -19.129 -10.305 -12.006 472 2HG PRO 66 2HG PRO 66 -17.853 -9.839 -10.838 473 1HD PRO 66 1HD PRO 66 -20.536 -10.653 -10.265 474 2HD PRO 66 2HD PRO 66 -19.307 -10.091 -9.121 475 H LYS 67 H LYS 67 -20.662 -5.938 -12.786 476 HA LYS 67 HA LYS 67 -23.119 -7.305 -13.791 477 1HB LYS 67 1HB LYS 67 -23.914 -5.486 -12.449 478 2HB LYS 67 2HB LYS 67 -22.750 -4.370 -13.127 479 1HG LYS 67 1HG LYS 67 -24.379 -3.814 -14.609 480 2HG LYS 67 2HG LYS 67 -24.071 -5.345 -15.422 481 1HD LYS 67 1HD LYS 67 -25.725 -6.267 -13.569 482 2HD LYS 67 2HD LYS 67 -26.251 -4.573 -13.510 483 1HE LYS 67 1HE LYS 67 -27.039 -4.597 -15.721 484 2HE LYS 67 2HE LYS 67 -25.944 -5.896 -16.213 485 1HZ LYS 67 1HZ LYS 67 -27.254 -7.453 -14.923 486 2HZ LYS 67 2HZ LYS 67 -28.264 -6.267 -14.405 487 3HZ LYS 67 3HZ LYS 67 -28.216 -6.698 -15.993 488 H HIS 68 H HIS 68 -22.428 -8.152 -15.655 489 HA HIS 68 HA HIS 68 -20.603 -6.492 -17.321 490 1HB HIS 68 1HB HIS 68 -20.092 -8.910 -16.743 491 2HB HIS 68 2HB HIS 68 -21.450 -9.329 -17.784 492 HD1 HIS 68 HD1 HIS 68 -20.812 -10.076 -20.019 493 HD2 HIS 68 HD2 HIS 68 -18.296 -7.096 -18.435 494 HE1 HIS 68 HE1 HIS 68 -19.009 -9.601 -21.817 495 HE2 HIS 68 HE2 HIS 68 -17.503 -7.729 -20.820 496 H SER 69 H SER 69 -21.064 -6.340 -19.633 497 HA SER 69 HA SER 69 -23.828 -6.718 -20.436 498 1HB SER 69 1HB SER 69 -22.897 -4.155 -19.503 499 2HB SER 69 2HB SER 69 -23.205 -4.037 -21.194 500 HG SER 69 HG SER 69 -24.983 -4.991 -19.200 501 H LYS 70 H LYS 70 -24.004 -5.621 -22.780 502 HA LYS 70 HA LYS 70 -21.756 -6.790 -24.279 503 1HB LYS 70 1HB LYS 70 -24.634 -6.549 -24.654 504 2HB LYS 70 2HB LYS 70 -23.819 -5.877 -26.050 505 1HG LYS 70 1HG LYS 70 -22.922 -7.856 -26.725 506 2HG LYS 70 2HG LYS 70 -22.657 -8.456 -25.086 507 1HD LYS 70 1HD LYS 70 -25.038 -8.945 -24.799 508 2HD LYS 70 2HD LYS 70 -25.397 -8.247 -26.382 509 1HE LYS 70 1HE LYS 70 -23.333 -10.146 -26.854 510 2HE LYS 70 2HE LYS 70 -24.407 -10.935 -25.689 511 1HZ LYS 70 1HZ LYS 70 -25.377 -9.622 -28.152 512 2HZ LYS 70 2HZ LYS 70 -25.031 -11.231 -28.070 513 3HZ LYS 70 3HZ LYS 70 -26.238 -10.599 -27.150 514 H ASP 71 H ASP 71 -20.494 -4.940 -23.289 515 HA ASP 71 HA ASP 71 -19.830 -3.157 -25.334 516 1HB ASP 71 1HB ASP 71 -21.671 -1.754 -24.997 517 2HB ASP 71 2HB ASP 71 -21.775 -2.152 -23.281 518 H GLY 72 H GLY 72 -20.055 -3.724 -21.815 519 1HA GLY 72 1HA GLY 72 -17.865 -4.318 -20.774 520 2HA GLY 72 2HA GLY 72 -17.244 -2.844 -21.543 521 H ASN 73 H ASN 73 -18.730 -0.788 -21.054 522 HA ASN 73 HA ASN 73 -19.384 -0.857 -18.176 523 1HB ASN 73 1HB ASN 73 -18.522 1.409 -18.035 524 2HB ASN 73 2HB ASN 73 -17.229 0.360 -18.621 525 1HD2 ASN 73 1HD2 ASN 73 -17.111 0.178 -21.030 526 2HD2 ASN 73 2HD2 ASN 73 -17.345 1.666 -21.954 527 H GLY 74 H GLY 74 -21.463 -1.478 -19.571 528 1HA GLY 74 1HA GLY 74 -22.833 0.426 -21.109 529 2HA GLY 74 2HA GLY 74 -23.602 -0.821 -20.100 530 H LYS 75 H LYS 75 -24.754 -0.201 -18.362 531 HA LYS 75 HA LYS 75 -25.091 2.644 -17.877 532 1HB LYS 75 1HB LYS 75 -26.262 0.075 -16.732 533 2HB LYS 75 2HB LYS 75 -26.529 1.614 -15.898 534 1HG LYS 75 1HG LYS 75 -27.087 2.309 -18.533 535 2HG LYS 75 2HG LYS 75 -27.667 0.645 -18.444 536 1HD LYS 75 1HD LYS 75 -29.006 1.253 -16.404 537 2HD LYS 75 2HD LYS 75 -28.393 2.910 -16.505 538 1HE LYS 75 1HE LYS 75 -30.599 2.866 -17.521 539 2HE LYS 75 2HE LYS 75 -29.398 3.126 -18.794 540 1HZ LYS 75 1HZ LYS 75 -31.233 1.012 -18.542 541 2HZ LYS 75 2HZ LYS 75 -30.186 1.318 -19.779 542 3HZ LYS 75 3HZ LYS 75 -29.707 0.388 -18.517 543 H THR 76 H THR 76 -25.009 0.794 -14.997 544 HA THR 76 HA THR 76 -22.552 2.247 -14.191 545 HB THR 76 HB THR 76 -25.064 2.471 -13.117 546 HG1 THR 76 HG1 THR 76 -22.476 2.604 -11.967 547 1HG2 THR 76 1HG2 THR 76 -23.601 0.950 -11.001 548 2HG2 THR 76 2HG2 THR 76 -25.327 1.280 -11.108 549 3HG2 THR 76 3HG2 THR 76 -24.605 0.024 -12.142 550 H ASP 77 H ASP 77 -22.926 -0.473 -15.549 551 HA ASP 77 HA ASP 77 -22.653 -2.639 -14.111 552 1HB ASP 77 1HB ASP 77 -20.991 -1.607 -16.423 553 2HB ASP 77 2HB ASP 77 -20.537 -3.106 -15.668 554 H HIS 78 H HIS 78 -21.739 -2.854 -12.104 555 HA HIS 78 HA HIS 78 -19.244 -1.441 -11.536 556 1HB HIS 78 1HB HIS 78 -19.697 -2.366 -9.192 557 2HB HIS 78 2HB HIS 78 -20.725 -1.089 -9.799 558 HD1 HIS 78 HD1 HIS 78 -20.851 -4.423 -8.334 559 HD2 HIS 78 HD2 HIS 78 -23.271 -2.119 -10.902 560 HE1 HIS 78 HE1 HIS 78 -23.212 -5.475 -8.260 561 HE2 HIS 78 HE2 HIS 78 -24.677 -4.047 -9.836 562 H TYR 79 H TYR 79 -19.173 -3.554 -13.448 563 HA TYR 79 HA TYR 79 -18.276 -5.985 -12.365 564 1HB TYR 79 1HB TYR 79 -17.688 -6.399 -14.620 565 2HB TYR 79 2HB TYR 79 -19.122 -5.503 -14.702 566 HD1 TYR 79 HD1 TYR 79 -17.351 -5.684 -17.078 567 HD2 TYR 79 HD2 TYR 79 -17.377 -2.785 -13.909 568 HE1 TYR 79 HE1 TYR 79 -16.261 -3.985 -18.491 569 HE2 TYR 79 HE2 TYR 79 -16.326 -1.173 -15.329 570 HH TYR 79 HH TYR 79 -15.535 -0.727 -17.299 571 H LEU 80 H LEU 80 -16.014 -6.841 -12.941 572 HA LEU 80 HA LEU 80 -14.082 -4.843 -11.873 573 1HB LEU 80 1HB LEU 80 -14.461 -7.807 -11.653 574 2HB LEU 80 2HB LEU 80 -12.810 -7.245 -11.794 575 HG LEU 80 HG LEU 80 -14.493 -5.778 -9.823 576 1HD1 LEU 80 1HD1 LEU 80 -15.073 -8.257 -9.591 577 2HD1 LEU 80 2HD1 LEU 80 -13.390 -8.515 -9.092 578 3HD1 LEU 80 3HD1 LEU 80 -14.466 -7.449 -8.163 579 1HD2 LEU 80 1HD2 LEU 80 -12.491 -5.317 -8.879 580 2HD2 LEU 80 2HD2 LEU 80 -11.871 -6.910 -9.150 581 3HD2 LEU 80 3HD2 LEU 80 -11.871 -5.762 -10.469 582 H LEU 81 H LEU 81 -11.941 -4.753 -12.813 583 HA LEU 81 HA LEU 81 -11.761 -5.818 -15.528 584 1HB LEU 81 1HB LEU 81 -11.374 -2.898 -14.837 585 2HB LEU 81 2HB LEU 81 -11.011 -3.607 -16.386 586 HG LEU 81 HG LEU 81 -13.746 -4.275 -15.857 587 1HD1 LEU 81 1HD1 LEU 81 -13.011 -1.705 -14.672 588 2HD1 LEU 81 2HD1 LEU 81 -14.167 -1.548 -15.908 589 3HD1 LEU 81 3HD1 LEU 81 -14.469 -2.662 -14.533 590 1HD2 LEU 81 1HD2 LEU 81 -12.877 -2.157 -17.731 591 2HD2 LEU 81 2HD2 LEU 81 -12.472 -3.844 -18.021 592 3HD2 LEU 81 3HD2 LEU 81 -14.111 -3.393 -17.889 593 H GLU 82 H GLU 82 -9.787 -6.555 -16.020 594 HA GLU 82 HA GLU 82 -7.715 -6.073 -13.962 595 1HB GLU 82 1HB GLU 82 -6.714 -8.150 -14.674 596 2HB GLU 82 2HB GLU 82 -8.448 -8.451 -14.445 597 1HG GLU 82 1HG GLU 82 -7.434 -7.742 -17.156 598 2HG GLU 82 2HG GLU 82 -7.119 -9.318 -16.573 599 H PHE 83 H PHE 83 -5.609 -5.490 -14.510 600 HA PHE 83 HA PHE 83 -5.223 -4.689 -17.315 601 1HB PHE 83 1HB PHE 83 -6.005 -2.830 -15.724 602 2HB PHE 83 2HB PHE 83 -4.452 -3.030 -14.961 603 HD1 PHE 83 HD1 PHE 83 -2.748 -1.566 -15.516 604 HD2 PHE 83 HD2 PHE 83 -5.705 -2.635 -18.425 605 HE1 PHE 83 HE1 PHE 83 -1.747 -0.007 -17.225 606 HE2 PHE 83 HE2 PHE 83 -4.682 -1.052 -20.075 607 HZ PHE 83 HZ PHE 83 -2.717 0.241 -19.379 608 HA PRO 84 HA PRO 84 -1.397 -6.728 -16.374 609 1HB PRO 84 1HB PRO 84 -0.272 -6.583 -18.911 610 2HB PRO 84 2HB PRO 84 -1.396 -7.845 -18.388 611 1HG PRO 84 1HG PRO 84 -1.909 -5.527 -20.158 612 2HG PRO 84 2HG PRO 84 -2.833 -7.038 -19.971 613 1HD PRO 84 1HD PRO 84 -3.464 -4.445 -18.894 614 2HD PRO 84 2HD PRO 84 -4.317 -5.959 -18.598 615 H THR 85 H THR 85 -0.081 -5.697 -15.072 616 HA THR 85 HA THR 85 1.127 -3.201 -16.112 617 HB THR 85 HB THR 85 -0.003 -2.600 -14.159 618 HG1 THR 85 HG1 THR 85 2.383 -2.359 -14.071 619 1HG2 THR 85 1HG2 THR 85 0.758 -5.337 -13.092 620 2HG2 THR 85 2HG2 THR 85 0.210 -4.037 -12.021 621 3HG2 THR 85 3HG2 THR 85 -0.871 -4.655 -13.283 622 H PHE 86 H PHE 86 3.191 -3.173 -16.606 623 HA PHE 86 HA PHE 86 4.757 -5.547 -16.127 624 1HB PHE 86 1HB PHE 86 5.320 -2.849 -17.448 625 2HB PHE 86 2HB PHE 86 6.440 -4.200 -17.493 626 HD1 PHE 86 HD1 PHE 86 4.001 -2.550 -19.325 627 HD2 PHE 86 HD2 PHE 86 5.262 -6.523 -18.296 628 HE1 PHE 86 HE1 PHE 86 2.970 -3.478 -21.400 629 HE2 PHE 86 HE2 PHE 86 4.165 -7.394 -20.355 630 HZ PHE 86 HZ PHE 86 2.975 -5.827 -21.871 631 HA PRO 87 HA PRO 87 6.996 -4.005 -12.699 632 1HB PRO 87 1HB PRO 87 9.431 -5.327 -13.016 633 2HB PRO 87 2HB PRO 87 7.941 -6.067 -12.382 634 1HG PRO 87 1HG PRO 87 9.185 -6.471 -15.009 635 2HG PRO 87 2HG PRO 87 7.994 -7.484 -14.124 636 1HD PRO 87 1HD PRO 87 7.487 -5.712 -16.309 637 2HD PRO 87 2HD PRO 87 6.318 -6.634 -15.379 638 H ASP 88 H ASP 88 8.929 -4.046 -15.720 639 HA ASP 88 HA ASP 88 10.910 -2.334 -15.171 640 1HB ASP 88 1HB ASP 88 9.216 -1.770 -17.597 641 2HB ASP 88 2HB ASP 88 10.962 -1.729 -17.455 642 H GLY 89 H GLY 89 7.475 -1.566 -15.374 643 1HA GLY 89 1HA GLY 89 6.466 0.200 -14.247 644 2HA GLY 89 2HA GLY 89 7.985 1.136 -14.359 645 H HIS 90 H HIS 90 7.959 -0.068 -17.297 646 HA HIS 90 HA HIS 90 7.120 2.307 -18.533 647 1HB HIS 90 1HB HIS 90 7.673 1.285 -20.570 648 2HB HIS 90 2HB HIS 90 8.753 0.547 -19.400 649 HD1 HIS 90 HD1 HIS 90 8.887 -1.989 -19.495 650 HD2 HIS 90 HD2 HIS 90 5.282 -0.443 -21.073 651 HE1 HIS 90 HE1 HIS 90 7.589 -3.988 -20.434 652 HE2 HIS 90 HE2 HIS 90 5.406 -3.041 -21.371 653 H ASP 91 H ASP 91 5.186 3.035 -19.203 654 HA ASP 91 HA ASP 91 2.838 1.661 -18.412 655 1HB ASP 91 1HB ASP 91 3.117 4.179 -18.607 656 2HB ASP 91 2HB ASP 91 3.153 3.994 -20.371 657 H TYR 92 H TYR 92 2.443 -0.281 -19.451 658 HA TYR 92 HA TYR 92 3.107 -1.215 -21.848 659 1HB TYR 92 1HB TYR 92 1.674 -2.391 -20.189 660 2HB TYR 92 2HB TYR 92 0.416 -1.264 -20.406 661 HD1 TYR 92 HD1 TYR 92 2.389 -2.794 -23.231 662 HD2 TYR 92 HD2 TYR 92 -1.339 -2.741 -21.053 663 HE1 TYR 92 HE1 TYR 92 1.354 -4.225 -24.966 664 HE2 TYR 92 HE2 TYR 92 -2.354 -4.178 -22.840 665 HH TYR 92 HH TYR 92 -1.981 -5.263 -24.734 666 H LYS 93 H LYS 93 2.573 -1.017 -24.005 667 HA LYS 93 HA LYS 93 1.235 1.440 -24.749 668 1HB LYS 93 1HB LYS 93 1.810 0.643 -27.044 669 2HB LYS 93 2HB LYS 93 3.173 0.999 -26.001 670 1HG LYS 93 1HG LYS 93 3.671 -1.299 -25.588 671 2HG LYS 93 2HG LYS 93 2.106 -1.852 -26.185 672 1HD LYS 93 1HD LYS 93 4.418 -0.730 -27.816 673 2HD LYS 93 2HD LYS 93 3.768 -2.349 -27.878 674 1HE LYS 93 1HE LYS 93 2.512 -1.658 -29.618 675 2HE LYS 93 2HE LYS 93 1.492 -0.888 -28.406 676 1HZ LYS 93 1HZ LYS 93 2.639 0.451 -30.359 677 2HZ LYS 93 2HZ LYS 93 2.338 1.127 -28.906 678 3HZ LYS 93 3HZ LYS 93 3.858 0.607 -29.235 679 H PHE 94 H PHE 94 -0.705 0.430 -23.510 680 HA PHE 94 HA PHE 94 -2.252 -1.496 -24.996 681 1HB PHE 94 1HB PHE 94 -3.968 -0.838 -23.210 682 2HB PHE 94 2HB PHE 94 -2.469 -1.478 -22.600 683 HD1 PHE 94 HD1 PHE 94 -0.959 -0.127 -21.334 684 HD2 PHE 94 HD2 PHE 94 -4.458 1.597 -23.029 685 HE1 PHE 94 HE1 PHE 94 -0.581 1.895 -19.978 686 HE2 PHE 94 HE2 PHE 94 -4.115 3.656 -21.622 687 HZ PHE 94 HZ PHE 94 -2.149 3.792 -20.107 688 H ASP 95 H ASP 95 -1.491 1.593 -25.718 689 HA ASP 95 HA ASP 95 -4.200 2.439 -26.480 690 1HB ASP 95 1HB ASP 95 -2.630 4.043 -25.360 691 2HB ASP 95 2HB ASP 95 -1.496 3.848 -26.705 692 H SER 96 H SER 96 -1.005 1.499 -27.764 693 HA SER 96 HA SER 96 -1.801 2.029 -30.506 694 1HB SER 96 1HB SER 96 0.615 2.023 -29.314 695 2HB SER 96 2HB SER 96 0.554 0.349 -29.878 696 HG SER 96 HG SER 96 0.884 2.662 -31.324 697 H LYS 97 H LYS 97 -3.253 0.709 -31.412 698 HA LYS 97 HA LYS 97 -3.804 -1.926 -30.546 699 1HB LYS 97 1HB LYS 97 -5.406 -1.965 -32.214 700 2HB LYS 97 2HB LYS 97 -5.181 -0.229 -32.023 701 1HG LYS 97 1HG LYS 97 -3.619 -0.207 -33.948 702 2HG LYS 97 2HG LYS 97 -3.832 -1.959 -34.126 703 1HD LYS 97 1HD LYS 97 -5.656 -1.812 -35.291 704 2HD LYS 97 2HD LYS 97 -6.411 -0.745 -34.093 705 1HE LYS 97 1HE LYS 97 -5.169 1.203 -35.050 706 2HE LYS 97 2HE LYS 97 -4.453 0.147 -36.278 707 1HZ LYS 97 1HZ LYS 97 -6.414 0.003 -37.379 708 2HZ LYS 97 2HZ LYS 97 -7.346 0.075 -36.027 709 3HZ LYS 97 3HZ LYS 97 -6.710 1.452 -36.660 710 H LYS 98 H LYS 98 -1.846 -0.777 -33.298 711 HA LYS 98 HA LYS 98 -0.346 -3.172 -33.060 712 1HB LYS 98 1HB LYS 98 -2.271 -2.868 -35.146 713 2HB LYS 98 2HB LYS 98 -0.681 -2.904 -35.877 714 1HG LYS 98 1HG LYS 98 -1.131 -4.922 -33.685 715 2HG LYS 98 2HG LYS 98 -2.129 -5.141 -35.108 716 1HD LYS 98 1HD LYS 98 -0.310 -5.557 -36.515 717 2HD LYS 98 2HD LYS 98 0.803 -4.592 -35.546 718 1HE LYS 98 1HE LYS 98 0.307 -6.472 -33.699 719 2HE LYS 98 2HE LYS 98 -0.115 -7.441 -35.117 720 1HZ LYS 98 1HZ LYS 98 2.303 -7.443 -34.362 721 2HZ LYS 98 2HZ LYS 98 2.035 -7.202 -35.961 722 3HZ LYS 98 3HZ LYS 98 2.417 -5.931 -35.009 723 HA PRO 99 HA PRO 99 1.401 -3.918 -33.523 724 1HB PRO 99 1HB PRO 99 3.850 -3.872 -32.308 725 2HB PRO 99 2HB PRO 99 3.554 -4.179 -34.043 726 1HG PRO 99 1HG PRO 99 4.625 -1.740 -32.726 727 2HG PRO 99 2HG PRO 99 4.767 -2.259 -34.428 728 1HD PRO 99 1HD PRO 99 2.994 -0.258 -33.350 729 2HD PRO 99 2HD PRO 99 3.052 -0.850 -35.026 730 H LYS 100 H LYS 100 2.082 -4.996 -31.292 731 HA LYS 100 HA LYS 100 1.380 -3.237 -29.068 732 1HB LYS 100 1HB LYS 100 -0.588 -4.158 -28.501 733 2HB LYS 100 2HB LYS 100 -0.692 -4.429 -30.229 734 1HG LYS 100 1HG LYS 100 0.139 -6.729 -29.984 735 2HG LYS 100 2HG LYS 100 0.359 -6.477 -28.251 736 1HD LYS 100 1HD LYS 100 -2.360 -5.778 -29.013 737 2HD LYS 100 2HD LYS 100 -1.964 -7.417 -29.539 738 1HE LYS 100 1HE LYS 100 -1.557 -6.326 -26.714 739 2HE LYS 100 2HE LYS 100 -2.899 -7.363 -27.225 740 1HZ LYS 100 1HZ LYS 100 -0.038 -8.021 -27.036 741 2HZ LYS 100 2HZ LYS 100 -1.305 -8.789 -26.320 742 3HZ LYS 100 3HZ LYS 100 -1.059 -8.941 -27.946 743 H GLU 101 H GLU 101 2.491 -3.741 -27.264 744 HA GLU 101 HA GLU 101 4.497 -5.795 -27.518 745 1HB GLU 101 1HB GLU 101 4.559 -3.454 -26.250 746 2HB GLU 101 2HB GLU 101 3.865 -4.375 -24.921 747 1HG GLU 101 1HG GLU 101 5.886 -6.061 -25.624 748 2HG GLU 101 2HG GLU 101 6.573 -4.563 -26.240 749 H ASN 102 H ASN 102 4.679 -7.721 -26.358 750 HA ASN 102 HA ASN 102 2.535 -9.278 -26.014 751 1HB ASN 102 1HB ASN 102 5.311 -9.338 -25.152 752 2HB ASN 102 2HB ASN 102 4.315 -9.911 -23.837 753 1HD2 ASN 102 1HD2 ASN 102 4.196 -12.012 -23.802 754 2HD2 ASN 102 2HD2 ASN 102 4.039 -13.077 -25.196 755 HA PRO 103 HA PRO 103 0.432 -7.983 -22.394 756 1HB PRO 103 1HB PRO 103 -0.583 -10.405 -21.406 757 2HB PRO 103 2HB PRO 103 -1.263 -9.487 -22.758 758 1HG PRO 103 1HG PRO 103 0.343 -11.988 -22.788 759 2HG PRO 103 2HG PRO 103 -0.757 -11.335 -24.037 760 1HD PRO 103 1HD PRO 103 2.089 -11.238 -23.988 761 2HD PRO 103 2HD PRO 103 1.028 -10.498 -25.193 762 H GLY 104 H GLY 104 0.008 -9.306 -19.947 763 1HA GLY 104 1HA GLY 104 2.703 -9.730 -18.899 764 2HA GLY 104 2HA GLY 104 1.741 -8.416 -18.208 765 HA PRO 105 HA PRO 105 0.531 -12.629 -16.438 766 1HB PRO 105 1HB PRO 105 2.325 -12.926 -14.322 767 2HB PRO 105 2HB PRO 105 2.488 -13.705 -15.915 768 1HG PRO 105 1HG PRO 105 3.970 -11.446 -14.813 769 2HG PRO 105 2HG PRO 105 4.437 -12.491 -16.147 770 1HD PRO 105 1HD PRO 105 3.392 -9.812 -16.313 771 2HD PRO 105 2HD PRO 105 3.719 -10.936 -17.644 772 H ALA 106 H ALA 106 2.113 -10.356 -14.146 773 HA ALA 106 HA ALA 106 -0.134 -10.438 -12.399 774 1HB ALA 106 1HB ALA 106 1.993 -10.087 -11.447 775 2HB ALA 106 2HB ALA 106 2.324 -8.740 -12.572 776 3HB ALA 106 3HB ALA 106 1.145 -8.539 -11.291 777 H ARG 107 H ARG 107 -1.833 -9.072 -12.177 778 HA ARG 107 HA ARG 107 -1.850 -6.668 -13.823 779 1HB ARG 107 1HB ARG 107 -4.193 -8.639 -13.848 780 2HB ARG 107 2HB ARG 107 -4.049 -7.212 -14.803 781 1HG ARG 107 1HG ARG 107 -1.780 -8.493 -15.640 782 2HG ARG 107 2HG ARG 107 -2.725 -9.845 -15.151 783 1HD ARG 107 1HD ARG 107 -4.584 -8.494 -16.615 784 2HD ARG 107 2HD ARG 107 -3.169 -7.871 -17.350 785 HE ARG 107 HE ARG 107 -2.751 -9.879 -18.391 786 1HH1 ARG 107 2HH2 ARG 107 -4.810 -10.408 -15.643 787 2HH1 ARG 107 1HH2 ARG 107 -5.110 -12.056 -15.948 788 1HH2 ARG 107 2HH1 ARG 107 -3.116 -12.057 -18.841 789 2HH2 ARG 107 1HH1 ARG 107 -4.119 -13.027 -17.841 790 H VAL 108 H VAL 108 -3.281 -5.037 -13.090 791 HA VAL 108 HA VAL 108 -3.907 -5.298 -10.244 792 HB VAL 108 HB VAL 108 -2.763 -3.314 -11.017 793 1HG1 VAL 108 1HG1 VAL 108 -3.280 -2.960 -13.223 794 2HG1 VAL 108 2HG1 VAL 108 -5.033 -3.074 -12.968 795 3HG1 VAL 108 3HG1 VAL 108 -4.180 -1.668 -12.438 796 1HG2 VAL 108 1HG2 VAL 108 -5.550 -3.040 -9.918 797 2HG2 VAL 108 2HG2 VAL 108 -3.969 -2.737 -9.176 798 3HG2 VAL 108 3HG2 VAL 108 -4.653 -1.584 -10.330 799 H ILE 109 H ILE 109 -5.867 -5.645 -9.416 800 HA ILE 109 HA ILE 109 -8.160 -5.657 -11.313 801 HB ILE 109 HB ILE 109 -7.677 -7.277 -8.792 802 1HG1 ILE 109 1HG1 ILE 109 -6.316 -8.264 -10.402 803 2HG1 ILE 109 2HG1 ILE 109 -7.843 -9.158 -10.536 804 1HG2 ILE 109 1HG2 ILE 109 -9.763 -8.390 -10.106 805 2HG2 ILE 109 2HG2 ILE 109 -9.884 -7.393 -8.715 806 3HG2 ILE 109 3HG2 ILE 109 -10.064 -6.724 -10.379 807 1HD1 ILE 109 1HD1 ILE 109 -6.626 -7.190 -12.402 808 2HD1 ILE 109 2HD1 ILE 109 -7.274 -8.738 -12.725 809 3HD1 ILE 109 3HD1 ILE 109 -8.396 -7.412 -12.386 810 H TYR 110 H TYR 110 -10.040 -4.637 -10.835 811 HA TYR 110 HA TYR 110 -10.482 -3.455 -8.260 812 1HB TYR 110 1HB TYR 110 -10.244 -1.127 -9.046 813 2HB TYR 110 2HB TYR 110 -8.720 -1.960 -9.264 814 HD1 TYR 110 HD1 TYR 110 -7.618 -1.908 -11.332 815 HD2 TYR 110 HD2 TYR 110 -11.838 -1.081 -11.176 816 HE1 TYR 110 HE1 TYR 110 -7.618 -1.263 -13.770 817 HE2 TYR 110 HE2 TYR 110 -11.823 -0.481 -13.569 818 HH TYR 110 HH TYR 110 -8.820 -0.242 -15.385 819 H THR 111 H THR 111 -12.547 -2.370 -8.150 820 HA THR 111 HA THR 111 -14.386 -3.364 -10.221 821 HB THR 111 HB THR 111 -16.034 -3.193 -8.537 822 HG1 THR 111 HG1 THR 111 -15.761 -1.064 -7.873 823 1HG2 THR 111 1HG2 THR 111 -15.117 -4.112 -6.509 824 2HG2 THR 111 2HG2 THR 111 -14.154 -4.779 -7.815 825 3HG2 THR 111 3HG2 THR 111 -13.512 -3.471 -6.815 826 H TYR 112 H TYR 112 -16.152 -1.960 -10.952 827 HA TYR 112 HA TYR 112 -15.122 0.740 -11.373 828 1HB TYR 112 1HB TYR 112 -15.200 -0.306 -13.435 829 2HB TYR 112 2HB TYR 112 -16.621 -1.219 -12.980 830 HD1 TYR 112 HD1 TYR 112 -15.517 1.417 -14.972 831 HD2 TYR 112 HD2 TYR 112 -18.842 0.271 -12.553 832 HE1 TYR 112 HE1 TYR 112 -17.000 3.071 -16.175 833 HE2 TYR 112 HE2 TYR 112 -20.310 1.858 -13.737 834 HH TYR 112 HH TYR 112 -19.020 4.173 -16.011 835 HA PRO 113 HA PRO 113 -15.976 2.428 -12.455 836 1HB PRO 113 1HB PRO 113 -16.347 5.014 -11.669 837 2HB PRO 113 2HB PRO 113 -17.294 4.196 -12.942 838 1HG PRO 113 1HG PRO 113 -18.106 4.897 -10.171 839 2HG PRO 113 2HG PRO 113 -19.130 4.532 -11.586 840 1HD PRO 113 1HD PRO 113 -18.520 2.773 -9.380 841 2HD PRO 113 2HD PRO 113 -19.428 2.374 -10.845 842 H ASN 114 H ASN 114 -16.306 3.710 -9.174 843 HA ASN 114 HA ASN 114 -13.814 4.610 -8.747 844 1HB ASN 114 1HB ASN 114 -15.981 3.829 -7.105 845 2HB ASN 114 2HB ASN 114 -14.665 2.852 -6.503 846 1HD2 ASN 114 1HD2 ASN 114 -16.108 5.204 -5.443 847 2HD2 ASN 114 2HD2 ASN 114 -14.856 6.338 -4.977 848 H LYS 115 H LYS 115 -11.888 3.701 -9.276 849 HA LYS 115 HA LYS 115 -11.533 0.930 -9.685 850 1HB LYS 115 1HB LYS 115 -10.015 3.379 -10.015 851 2HB LYS 115 2HB LYS 115 -8.961 2.185 -9.300 852 1HG LYS 115 1HG LYS 115 -9.010 0.800 -11.078 853 2HG LYS 115 2HG LYS 115 -10.665 1.254 -11.556 854 1HD LYS 115 1HD LYS 115 -8.237 3.008 -11.919 855 2HD LYS 115 2HD LYS 115 -8.907 1.966 -13.177 856 1HE LYS 115 1HE LYS 115 -10.237 3.718 -13.731 857 2HE LYS 115 2HE LYS 115 -11.179 3.287 -12.304 858 1HZ LYS 115 1HZ LYS 115 -8.929 4.856 -11.635 859 2HZ LYS 115 2HZ LYS 115 -9.868 5.646 -12.736 860 3HZ LYS 115 3HZ LYS 115 -10.514 5.131 -11.302 861 H VAL 116 H VAL 116 -12.491 0.197 -7.682 862 HA VAL 116 HA VAL 116 -11.114 0.602 -5.195 863 HB VAL 116 HB VAL 116 -13.327 -1.189 -6.140 864 1HG1 VAL 116 1HG1 VAL 116 -13.485 -1.637 -3.486 865 2HG1 VAL 116 2HG1 VAL 116 -12.628 -2.685 -4.596 866 3HG1 VAL 116 3HG1 VAL 116 -11.714 -1.477 -3.673 867 1HG2 VAL 116 1HG2 VAL 116 -13.248 1.441 -5.158 868 2HG2 VAL 116 2HG2 VAL 116 -14.684 0.419 -5.342 869 3HG2 VAL 116 3HG2 VAL 116 -13.825 0.479 -3.794 870 H PHE 117 H PHE 117 -8.988 0.112 -6.267 871 HA PHE 117 HA PHE 117 -8.010 -2.137 -7.284 872 1HB PHE 117 1HB PHE 117 -6.523 -0.352 -6.707 873 2HB PHE 117 2HB PHE 117 -7.048 -0.377 -5.020 874 HD1 PHE 117 HD1 PHE 117 -5.267 -2.455 -7.540 875 HD2 PHE 117 HD2 PHE 117 -5.841 -1.536 -3.389 876 HE1 PHE 117 HE1 PHE 117 -3.323 -3.944 -6.952 877 HE2 PHE 117 HE2 PHE 117 -3.912 -3.023 -2.796 878 HZ PHE 117 HZ PHE 117 -2.727 -4.230 -4.621 879 H CYS 118 H CYS 118 -8.494 -4.222 -6.890 880 HA CYS 118 HA CYS 118 -9.225 -5.081 -4.234 881 1HB CYS 118 1HB CYS 118 -8.863 -6.902 -6.627 882 2HB CYS 118 2HB CYS 118 -9.876 -7.084 -5.215 883 H GLY 119 H GLY 119 -6.615 -5.610 -6.662 884 1HA GLY 119 1HA GLY 119 -4.471 -5.719 -5.000 885 2HA GLY 119 2HA GLY 119 -5.095 -7.350 -4.909 886 H ILE 120 H ILE 120 -3.408 -8.363 -6.002 887 HA ILE 120 HA ILE 120 -3.216 -7.654 -8.884 888 HB ILE 120 HB ILE 120 -0.918 -8.640 -7.224 889 1HG1 ILE 120 1HG1 ILE 120 -1.957 -6.183 -6.665 890 2HG1 ILE 120 2HG1 ILE 120 -0.321 -6.628 -6.593 891 1HG2 ILE 120 1HG2 ILE 120 0.425 -7.919 -9.117 892 2HG2 ILE 120 2HG2 ILE 120 -0.861 -8.985 -9.732 893 3HG2 ILE 120 3HG2 ILE 120 -1.017 -7.269 -9.941 894 1HD1 ILE 120 1HD1 ILE 120 0.146 -5.716 -8.767 895 2HD1 ILE 120 2HD1 ILE 120 -1.600 -5.365 -8.959 896 3HD1 ILE 120 3HD1 ILE 120 -0.613 -4.534 -7.716 897 H ILE 121 H ILE 121 -3.382 -9.321 -10.273 898 HA ILE 121 HA ILE 121 -3.495 -12.027 -9.058 899 HB ILE 121 HB ILE 121 -5.406 -12.597 -10.290 900 1HG1 ILE 121 1HG1 ILE 121 -5.236 -9.955 -11.803 901 2HG1 ILE 121 2HG1 ILE 121 -4.716 -11.520 -12.435 902 1HG2 ILE 121 1HG2 ILE 121 -5.753 -9.799 -9.153 903 2HG2 ILE 121 2HG2 ILE 121 -7.087 -10.843 -9.634 904 3HG2 ILE 121 3HG2 ILE 121 -6.002 -11.356 -8.365 905 1HD1 ILE 121 1HD1 ILE 121 -7.179 -12.221 -11.660 906 2HD1 ILE 121 2HD1 ILE 121 -7.502 -10.571 -11.985 907 3HD1 ILE 121 3HD1 ILE 121 -6.821 -11.491 -13.270 908 H ALA 122 H ALA 122 -2.998 -13.774 -10.546 909 HA ALA 122 HA ALA 122 -1.984 -13.297 -13.151 910 1HB ALA 122 1HB ALA 122 0.325 -13.164 -12.866 911 2HB ALA 122 2HB ALA 122 -0.208 -12.242 -11.477 912 3HB ALA 122 3HB ALA 122 0.251 -13.932 -11.271 913 H HIS 123 H HIS 123 -1.489 -15.251 -14.174 914 HA HIS 123 HA HIS 123 -2.342 -17.598 -12.670 915 1HB HIS 123 1HB HIS 123 -1.695 -17.592 -15.637 916 2HB HIS 123 2HB HIS 123 -2.787 -18.609 -14.759 917 HD1 HIS 123 HD1 HIS 123 -5.243 -18.011 -14.942 918 HD2 HIS 123 HD2 HIS 123 -2.635 -14.755 -15.695 919 HE1 HIS 123 HE1 HIS 123 -6.716 -16.046 -15.700 920 HE2 HIS 123 HE2 HIS 123 -5.125 -14.059 -16.067 921 H THR 124 H THR 124 -0.613 -18.119 -11.378 922 HA THR 124 HA THR 124 1.979 -18.623 -12.709 923 HB THR 124 HB THR 124 2.601 -18.803 -10.148 924 HG1 THR 124 HG1 THR 124 1.014 -18.129 -8.827 925 1HG2 THR 124 1HG2 THR 124 2.248 -16.182 -9.971 926 2HG2 THR 124 2HG2 THR 124 3.432 -16.844 -11.112 927 3HG2 THR 124 3HG2 THR 124 1.845 -16.315 -11.686 928 H LYS 125 H LYS 125 0.145 -20.381 -13.528 929 HA LYS 125 HA LYS 125 0.711 -22.821 -11.910 930 1HB LYS 125 1HB LYS 125 -1.690 -22.173 -12.105 931 2HB LYS 125 2HB LYS 125 -1.588 -22.339 -13.854 932 1HG LYS 125 1HG LYS 125 -1.959 -24.553 -13.673 933 2HG LYS 125 2HG LYS 125 -0.472 -24.760 -12.764 934 1HD LYS 125 1HD LYS 125 -1.480 -24.709 -10.690 935 2HD LYS 125 2HD LYS 125 -2.843 -23.736 -11.251 936 1HE LYS 125 1HE LYS 125 -3.258 -25.932 -12.785 937 2HE LYS 125 2HE LYS 125 -2.440 -26.705 -11.421 938 1HZ LYS 125 1HZ LYS 125 -4.140 -26.080 -9.999 939 2HZ LYS 125 2HZ LYS 125 -4.613 -24.787 -10.871 940 3HZ LYS 125 3HZ LYS 125 -5.011 -26.287 -11.369 941 H GLU 126 H GLU 126 1.176 -21.144 -14.928 942 HA GLU 126 HA GLU 126 3.178 -22.897 -15.734 943 1HB GLU 126 1HB GLU 126 0.549 -23.882 -16.382 944 2HB GLU 126 2HB GLU 126 1.183 -23.248 -17.854 945 1HG GLU 126 1HG GLU 126 3.081 -24.905 -16.189 946 2HG GLU 126 2HG GLU 126 1.732 -25.756 -16.916 947 H ASN 127 H ASN 127 0.547 -21.159 -17.461 948 HA ASN 127 HA ASN 127 2.374 -18.999 -18.093 949 1HB ASN 127 1HB ASN 127 2.452 -21.037 -19.896 950 2HB ASN 127 2HB ASN 127 0.991 -20.251 -20.478 951 1HD2 ASN 127 1HD2 ASN 127 1.122 -18.432 -21.625 952 2HD2 ASN 127 2HD2 ASN 127 2.632 -17.586 -21.983 953 H GLN 128 H GLN 128 -0.766 -20.596 -18.750 954 HA GLN 128 HA GLN 128 -2.190 -18.273 -17.926 955 1HB GLN 128 1HB GLN 128 -1.652 -18.695 -20.793 956 2HB GLN 128 2HB GLN 128 -3.376 -18.714 -20.485 957 1HG GLN 128 1HG GLN 128 -2.619 -16.547 -18.935 958 2HG GLN 128 2HG GLN 128 -1.486 -16.463 -20.279 959 1HE2 GLN 128 1HE2 GLN 128 -2.392 -16.545 -22.452 960 2HE2 GLN 128 2HE2 GLN 128 -3.969 -15.844 -22.750 961 H GLY 129 H GLY 129 -2.773 -19.941 -16.396 962 1HA GLY 129 1HA GLY 129 -4.968 -21.679 -17.456 963 2HA GLY 129 2HA GLY 129 -3.791 -22.248 -16.264 964 H GLU 130 H GLU 130 -4.159 -21.856 -14.120 965 HA GLU 130 HA GLU 130 -6.715 -20.690 -13.451 966 1HB GLU 130 1HB GLU 130 -4.725 -22.446 -12.176 967 2HB GLU 130 2HB GLU 130 -5.207 -21.158 -11.080 968 1HG GLU 130 1HG GLU 130 -7.676 -21.849 -12.066 969 2HG GLU 130 2HG GLU 130 -6.834 -23.386 -12.255 970 H LEU 131 H LEU 131 -7.094 -18.878 -12.078 971 HA LEU 131 HA LEU 131 -4.824 -17.000 -12.047 972 1HB LEU 131 1HB LEU 131 -6.854 -16.561 -13.569 973 2HB LEU 131 2HB LEU 131 -7.771 -16.255 -12.132 974 HG LEU 131 HG LEU 131 -6.548 -14.314 -11.599 975 1HD1 LEU 131 1HD1 LEU 131 -4.384 -15.427 -13.254 976 2HD1 LEU 131 2HD1 LEU 131 -4.465 -13.678 -13.050 977 3HD1 LEU 131 3HD1 LEU 131 -4.362 -14.765 -11.659 978 1HD2 LEU 131 1HD2 LEU 131 -7.777 -13.430 -13.266 979 2HD2 LEU 131 2HD2 LEU 131 -6.260 -13.304 -14.154 980 3HD2 LEU 131 3HD2 LEU 131 -7.420 -14.621 -14.414 981 H LYS 132 H LYS 132 -4.266 -16.038 -10.176 982 HA LYS 132 HA LYS 132 -6.044 -16.334 -7.851 983 1HB LYS 132 1HB LYS 132 -4.031 -17.130 -6.537 984 2HB LYS 132 2HB LYS 132 -4.825 -18.295 -7.573 985 1HG LYS 132 1HG LYS 132 -3.041 -17.716 -9.382 986 2HG LYS 132 2HG LYS 132 -2.197 -16.832 -8.112 987 1HD LYS 132 1HD LYS 132 -3.001 -19.788 -8.033 988 2HD LYS 132 2HD LYS 132 -1.410 -19.195 -8.497 989 1HE LYS 132 1HE LYS 132 -2.318 -18.053 -5.918 990 2HE LYS 132 2HE LYS 132 -2.293 -19.819 -5.887 991 1HZ LYS 132 1HZ LYS 132 -0.073 -17.968 -6.403 992 2HZ LYS 132 2HZ LYS 132 -0.148 -19.201 -5.317 993 3HZ LYS 132 3HZ LYS 132 0.007 -19.540 -6.919 994 H LEU 133 H LEU 133 -4.916 -15.184 -5.927 995 HA LEU 133 HA LEU 133 -4.221 -12.528 -6.978 996 1HB LEU 133 1HB LEU 133 -5.985 -13.133 -5.117 997 2HB LEU 133 2HB LEU 133 -4.619 -13.213 -4.062 998 HG LEU 133 HG LEU 133 -4.070 -10.806 -5.048 999 1HD1 LEU 133 1HD1 LEU 133 -6.502 -9.750 -5.316 1000 2HD1 LEU 133 2HD1 LEU 133 -5.553 -10.267 -6.670 1001 3HD1 LEU 133 3HD1 LEU 133 -6.824 -11.316 -6.039 1002 1HD2 LEU 133 1HD2 LEU 133 -5.323 -9.787 -3.248 1003 2HD2 LEU 133 2HD2 LEU 133 -6.365 -11.220 -3.111 1004 3HD2 LEU 133 3HD2 LEU 133 -4.640 -11.330 -2.718 1005 H CYS 134 H CYS 134 -2.296 -11.466 -6.475 1006 HA CYS 134 HA CYS 134 0.015 -13.073 -6.227 1007 1HB CYS 134 1HB CYS 134 -0.358 -10.085 -5.933 1008 2HB CYS 134 2HB CYS 134 1.165 -10.858 -6.031 1009 H SER 135 H SER 135 1.681 -11.883 -4.475 1010 HA SER 135 HA SER 135 0.315 -12.096 -1.834 1011 1HB SER 135 1HB SER 135 2.970 -13.402 -2.519 1012 2HB SER 135 2HB SER 135 2.124 -13.459 -0.969 1013 HG SER 135 HG SER 135 1.131 -15.151 -1.734 1014 H HIS 136 H HIS 136 0.424 -9.939 -1.387 1015 HA HIS 136 HA HIS 136 3.108 -8.679 -1.445 1016 1HB HIS 136 1HB HIS 136 2.146 -6.638 -1.824 1017 2HB HIS 136 2HB HIS 136 1.092 -7.714 -2.713 1018 HD1 HIS 136 HD1 HIS 136 -0.845 -8.729 -0.588 1019 HD2 HIS 136 HD2 HIS 136 0.524 -4.777 -0.743 1020 HE1 HIS 136 HE1 HIS 136 -2.593 -7.315 0.658 1021 HE2 HIS 136 HE2 HIS 136 -1.686 -4.885 0.600 Start of MODEL 5 1 1H ALA 1 H1 ALA 1 1.378 -0.921 0.366 2 2H ALA 1 H2 ALA 1 0.312 0.184 -0.228 3 3H ALA 1 H3 ALA 1 1.664 0.683 0.614 4 HA ALA 1 HA ALA 1 1.421 0.250 -2.120 5 1HB ALA 1 1HB ALA 1 3.573 1.189 -0.197 6 2HB ALA 1 2HB ALA 1 3.984 0.901 -1.899 7 3HB ALA 1 3HB ALA 1 2.737 2.089 -1.489 8 H VAL 2 H VAL 2 4.438 -0.857 -0.706 9 HA VAL 2 HA VAL 2 3.867 -3.589 -1.756 10 HB VAL 2 HB VAL 2 5.320 -2.190 -3.197 11 1HG1 VAL 2 1HG1 VAL 2 7.146 -2.204 -0.786 12 2HG1 VAL 2 2HG1 VAL 2 7.621 -1.636 -2.402 13 3HG1 VAL 2 3HG1 VAL 2 6.402 -0.756 -1.470 14 1HG2 VAL 2 1HG2 VAL 2 6.922 -4.333 -1.847 15 2HG2 VAL 2 2HG2 VAL 2 5.484 -4.786 -2.729 16 3HG2 VAL 2 3HG2 VAL 2 6.805 -3.983 -3.599 17 H THR 3 H THR 3 4.170 -5.232 -0.379 18 HA THR 3 HA THR 3 4.940 -4.561 2.411 19 HB THR 3 HB THR 3 3.704 -6.957 1.030 20 HG1 THR 3 HG1 THR 3 2.850 -5.290 3.123 21 1HG2 THR 3 1HG2 THR 3 3.741 -6.760 4.043 22 2HG2 THR 3 2HG2 THR 3 3.769 -8.173 2.952 23 3HG2 THR 3 3HG2 THR 3 5.249 -7.296 3.286 24 H TRP 4 H TRP 4 7.017 -4.582 2.956 25 HA TRP 4 HA TRP 4 9.013 -6.042 1.399 26 1HB TRP 4 1HB TRP 4 9.167 -4.190 3.769 27 2HB TRP 4 2HB TRP 4 10.505 -5.000 2.996 28 HD1 TRP 4 HD1 TRP 4 7.636 -2.703 1.832 29 HE1 TRP 4 HE1 TRP 4 8.582 -1.020 0.049 30 HE3 TRP 4 HE3 TRP 4 12.428 -4.308 1.732 31 HZ2 TRP 4 HZ2 TRP 4 11.097 -0.491 -1.196 32 HZ3 TRP 4 HZ3 TRP 4 14.107 -3.178 0.327 33 HH2 TRP 4 HH2 TRP 4 13.469 -1.250 -1.163 34 H THR 5 H THR 5 9.991 -7.882 2.058 35 HA THR 5 HA THR 5 9.103 -9.024 4.685 36 HB THR 5 HB THR 5 9.335 -10.271 1.954 37 HG1 THR 5 HG1 THR 5 7.426 -10.053 4.056 38 1HG2 THR 5 1HG2 THR 5 10.310 -12.020 3.154 39 2HG2 THR 5 2HG2 THR 5 9.542 -11.570 4.702 40 3HG2 THR 5 3HG2 THR 5 8.599 -12.367 3.426 41 H CYS 6 H CYS 6 10.594 -9.359 6.094 42 HA CYS 6 HA CYS 6 13.443 -9.399 5.124 43 1HB CYS 6 1HB CYS 6 12.276 -8.721 7.827 44 2HB CYS 6 2HB CYS 6 13.956 -8.748 7.424 45 H GLY 7 H GLY 7 12.443 -11.660 4.525 46 1HA GLY 7 1HA GLY 7 12.216 -13.945 4.965 47 2HA GLY 7 2HA GLY 7 13.799 -13.713 5.696 48 H GLY 8 H GLY 8 10.374 -13.084 6.564 49 1HA GLY 8 1HA GLY 8 10.152 -14.789 8.752 50 2HA GLY 8 2HA GLY 8 10.867 -13.301 9.390 51 H LEU 9 H LEU 9 9.687 -11.264 9.039 52 HA LEU 9 HA LEU 9 6.766 -11.686 8.872 53 1HB LEU 9 1HB LEU 9 7.668 -9.235 10.201 54 2HB LEU 9 2HB LEU 9 6.487 -10.409 10.678 55 HG LEU 9 HG LEU 9 8.122 -10.337 12.335 56 1HD1 LEU 9 1HD1 LEU 9 7.495 -12.741 11.227 57 2HD1 LEU 9 2HD1 LEU 9 9.260 -12.814 11.183 58 3HD1 LEU 9 3HD1 LEU 9 8.458 -12.559 12.720 59 1HD2 LEU 9 1HD2 LEU 9 9.932 -9.671 10.341 60 2HD2 LEU 9 2HD2 LEU 9 10.217 -9.836 12.096 61 3HD2 LEU 9 3HD2 LEU 9 10.590 -11.165 10.999 62 H LEU 10 H LEU 10 5.543 -9.931 8.046 63 HA LEU 10 HA LEU 10 6.928 -8.700 5.747 64 1HB LEU 10 1HB LEU 10 4.007 -8.765 5.644 65 2HB LEU 10 2HB LEU 10 5.215 -9.209 4.472 66 HG LEU 10 HG LEU 10 3.974 -11.105 4.794 67 1HD1 LEU 10 1HD1 LEU 10 5.783 -12.437 4.800 68 2HD1 LEU 10 2HD1 LEU 10 6.737 -11.159 5.506 69 3HD1 LEU 10 3HD1 LEU 10 5.920 -12.313 6.563 70 1HD2 LEU 10 1HD2 LEU 10 4.215 -11.591 7.687 71 2HD2 LEU 10 2HD2 LEU 10 3.355 -10.091 7.312 72 3HD2 LEU 10 3HD2 LEU 10 2.802 -11.615 6.616 73 H TYR 11 H TYR 11 7.099 -6.615 5.643 74 HA TYR 11 HA TYR 11 5.718 -4.864 7.603 75 1HB TYR 11 1HB TYR 11 8.455 -4.598 6.288 76 2HB TYR 11 2HB TYR 11 7.744 -3.497 7.486 77 HD1 TYR 11 HD1 TYR 11 9.558 -6.621 6.959 78 HD2 TYR 11 HD2 TYR 11 7.263 -4.323 9.805 79 HE1 TYR 11 HE1 TYR 11 10.457 -8.007 8.811 80 HE2 TYR 11 HE2 TYR 11 8.282 -5.622 11.645 81 HH TYR 11 HH TYR 11 9.629 -7.210 12.214 82 H ASN 12 H ASN 12 4.157 -3.791 6.593 83 HA ASN 12 HA ASN 12 4.126 -3.330 3.737 84 1HB ASN 12 1HB ASN 12 2.080 -3.336 5.231 85 2HB ASN 12 2HB ASN 12 2.642 -1.795 5.888 86 1HD2 ASN 12 1HD2 ASN 12 2.375 -3.238 2.592 87 2HD2 ASN 12 2HD2 ASN 12 1.505 -1.851 2.002 88 H GLN 13 H GLN 13 5.332 -1.919 2.544 89 HA GLN 13 HA GLN 13 7.120 -0.211 3.657 90 1HB GLN 13 1HB GLN 13 6.978 -0.759 1.208 91 2HB GLN 13 2HB GLN 13 5.611 0.319 1.053 92 1HG GLN 13 1HG GLN 13 7.985 1.183 0.365 93 2HG GLN 13 2HG GLN 13 6.970 2.259 1.336 94 1HE2 GLN 13 1HE2 GLN 13 9.158 -0.570 2.129 95 2HE2 GLN 13 2HE2 GLN 13 9.938 0.404 3.378 96 H ASN 14 H ASN 14 3.804 0.583 2.838 97 HA ASN 14 HA ASN 14 3.832 3.389 3.351 98 1HB ASN 14 1HB ASN 14 1.889 1.436 2.788 99 2HB ASN 14 2HB ASN 14 1.507 1.906 4.442 100 1HD2 ASN 14 1HD2 ASN 14 0.909 2.575 1.304 101 2HD2 ASN 14 2HD2 ASN 14 0.407 4.256 1.535 102 H LYS 15 H LYS 15 4.177 0.718 5.534 103 HA LYS 15 HA LYS 15 3.785 2.342 7.975 104 1HB LYS 15 1HB LYS 15 3.778 -0.553 7.334 105 2HB LYS 15 2HB LYS 15 4.609 -0.135 8.824 106 1HG LYS 15 1HG LYS 15 2.731 0.631 9.854 107 2HG LYS 15 2HG LYS 15 1.987 1.245 8.391 108 1HD LYS 15 1HD LYS 15 2.262 -1.718 8.319 109 2HD LYS 15 2HD LYS 15 1.260 -1.180 9.631 110 1HE LYS 15 1HE LYS 15 0.843 0.063 6.918 111 2HE LYS 15 2HE LYS 15 0.220 -1.564 7.229 112 1HZ LYS 15 1HZ LYS 15 -1.291 0.439 7.803 113 2HZ LYS 15 2HZ LYS 15 -1.186 -0.786 8.897 114 3HZ LYS 15 3HZ LYS 15 -0.353 0.593 9.146 115 H ALA 16 H ALA 16 6.392 0.663 6.142 116 HA ALA 16 HA ALA 16 8.474 1.123 8.006 117 1HB ALA 16 1HB ALA 16 9.893 1.018 5.890 118 2HB ALA 16 2HB ALA 16 8.755 -0.359 6.089 119 3HB ALA 16 3HB ALA 16 8.377 0.985 5.004 120 H GLU 17 H GLU 17 7.770 3.083 5.035 121 HA GLU 17 HA GLU 17 9.382 5.294 5.828 122 1HB GLU 17 1HB GLU 17 7.871 6.613 4.265 123 2HB GLU 17 2HB GLU 17 8.793 5.273 3.569 124 1HG GLU 17 1HG GLU 17 6.955 3.919 3.314 125 2HG GLU 17 2HG GLU 17 5.971 4.726 4.528 126 H SER 18 H SER 18 5.943 4.558 6.428 127 HA SER 18 HA SER 18 5.315 7.040 7.752 128 1HB SER 18 1HB SER 18 3.557 5.707 6.975 129 2HB SER 18 2HB SER 18 4.050 4.357 8.037 130 HG SER 18 HG SER 18 2.253 5.679 8.680 131 H ASN 19 H ASN 19 7.078 4.135 8.801 132 HA ASN 19 HA ASN 19 6.707 4.608 11.576 133 1HB ASN 19 1HB ASN 19 7.519 2.417 10.350 134 2HB ASN 19 2HB ASN 19 9.106 3.161 10.346 135 1HD2 ASN 19 1HD2 ASN 19 6.406 2.918 12.703 136 2HD2 ASN 19 2HD2 ASN 19 7.534 2.349 13.964 137 H SER 20 H SER 20 9.502 5.033 9.482 138 HA SER 20 HA SER 20 11.015 6.657 11.315 139 1HB SER 20 1HB SER 20 12.417 5.778 9.838 140 2HB SER 20 2HB SER 20 11.238 5.828 8.500 141 HG SER 20 HG SER 20 11.581 8.067 8.378 142 H HIS 21 H HIS 21 8.310 7.333 9.380 143 HA HIS 21 HA HIS 21 8.783 10.099 8.749 144 1HB HIS 21 1HB HIS 21 6.439 8.303 8.889 145 2HB HIS 21 2HB HIS 21 6.040 9.968 9.145 146 HD1 HIS 21 HD1 HIS 21 4.724 9.926 6.842 147 HD2 HIS 21 HD2 HIS 21 8.808 8.998 6.614 148 HE1 HIS 21 HE1 HIS 21 5.353 10.077 4.339 149 HE2 HIS 21 HE2 HIS 21 7.847 9.487 4.209 150 H HIS 22 H HIS 22 7.127 8.621 11.640 151 HA HIS 22 HA HIS 22 6.902 11.199 12.879 152 1HB HIS 22 1HB HIS 22 6.689 8.768 14.548 153 2HB HIS 22 2HB HIS 22 5.609 10.131 14.388 154 HD1 HIS 22 HD1 HIS 22 5.415 6.755 14.088 155 HD2 HIS 22 HD2 HIS 22 4.468 9.874 11.509 156 HE1 HIS 22 HE1 HIS 22 3.782 5.739 12.372 157 HE2 HIS 22 HE2 HIS 22 3.197 7.645 10.784 158 H ALA 23 H ALA 23 9.007 8.334 13.170 159 HA ALA 23 HA ALA 23 10.465 8.831 15.326 160 1HB ALA 23 1HB ALA 23 11.951 7.444 14.474 161 2HB ALA 23 2HB ALA 23 10.691 7.194 13.260 162 3HB ALA 23 3HB ALA 23 12.071 8.247 12.884 163 HA PRO 24 HA PRO 24 12.169 12.864 14.660 164 1HB PRO 24 1HB PRO 24 13.999 12.905 16.768 165 2HB PRO 24 2HB PRO 24 12.249 13.282 16.892 166 1HG PRO 24 1HG PRO 24 13.761 10.911 17.679 167 2HG PRO 24 2HG PRO 24 12.165 11.450 18.297 168 1HD PRO 24 1HD PRO 24 12.689 9.345 16.476 169 2HD PRO 24 2HD PRO 24 11.099 10.039 16.878 170 H LEU 25 H LEU 25 13.540 13.359 13.121 171 HA LEU 25 HA LEU 25 15.584 11.660 12.193 172 1HB LEU 25 1HB LEU 25 14.244 13.789 11.146 173 2HB LEU 25 2HB LEU 25 15.757 14.568 11.556 174 HG LEU 25 HG LEU 25 17.018 13.209 10.121 175 1HD1 LEU 25 1HD1 LEU 25 16.444 11.030 10.310 176 2HD1 LEU 25 2HD1 LEU 25 14.705 11.315 10.210 177 3HD1 LEU 25 3HD1 LEU 25 15.750 11.353 8.744 178 1HD2 LEU 25 1HD2 LEU 25 15.961 14.914 8.879 179 2HD2 LEU 25 2HD2 LEU 25 15.690 13.436 7.977 180 3HD2 LEU 25 3HD2 LEU 25 14.369 14.102 8.930 181 H SER 26 H SER 26 17.046 11.031 13.637 182 HA SER 26 HA SER 26 19.320 12.634 14.186 183 1HB SER 26 1HB SER 26 17.111 12.917 16.079 184 2HB SER 26 2HB SER 26 18.545 12.226 16.847 185 HG SER 26 HG SER 26 18.248 14.678 15.497 186 H ASP 27 H ASP 27 20.723 11.478 15.845 187 HA ASP 27 HA ASP 27 20.378 8.544 15.626 188 1HB ASP 27 1HB ASP 27 22.352 8.614 14.779 189 2HB ASP 27 2HB ASP 27 22.627 10.292 15.143 190 H GLY 28 H GLY 28 19.662 7.646 17.491 191 1HA GLY 28 1HA GLY 28 19.475 7.225 19.769 192 2HA GLY 28 2HA GLY 28 21.171 7.739 19.886 193 H LYS 29 H LYS 29 17.914 9.051 19.578 194 HA LYS 29 HA LYS 29 18.407 10.963 21.758 195 1HB LYS 29 1HB LYS 29 18.342 11.796 18.910 196 2HB LYS 29 2HB LYS 29 17.355 12.775 19.969 197 1HG LYS 29 1HG LYS 29 19.473 12.830 21.535 198 2HG LYS 29 2HG LYS 29 20.335 12.310 20.076 199 1HD LYS 29 1HD LYS 29 20.503 14.611 19.937 200 2HD LYS 29 2HD LYS 29 19.103 14.288 18.913 201 1HE LYS 29 1HE LYS 29 18.212 14.573 21.672 202 2HE LYS 29 2HE LYS 29 19.330 15.888 21.326 203 1HZ LYS 29 1HZ LYS 29 16.686 15.433 20.291 204 2HZ LYS 29 2HZ LYS 29 17.538 16.844 20.386 205 3HZ LYS 29 3HZ LYS 29 17.774 15.813 19.127 206 H THR 30 H THR 30 16.731 8.689 21.341 207 HA THR 30 HA THR 30 14.044 9.954 21.740 208 HB THR 30 HB THR 30 13.125 7.981 20.617 209 HG1 THR 30 HG1 THR 30 15.098 6.794 21.370 210 1HG2 THR 30 1HG2 THR 30 14.640 9.960 19.290 211 2HG2 THR 30 2HG2 THR 30 15.101 8.429 18.539 212 3HG2 THR 30 3HG2 THR 30 13.377 8.888 18.638 213 H GLY 31 H GLY 31 12.729 8.916 23.257 214 1HA GLY 31 1HA GLY 31 13.734 8.259 25.703 215 2HA GLY 31 2HA GLY 31 12.224 7.576 25.081 216 H SER 32 H SER 32 12.732 5.816 23.333 217 HA SER 32 HA SER 32 13.955 3.615 24.809 218 1HB SER 32 1HB SER 32 12.076 3.158 23.317 219 2HB SER 32 2HB SER 32 12.997 3.812 21.947 220 HG SER 32 HG SER 32 13.356 1.705 21.898 221 H SER 33 H SER 33 14.719 4.768 21.496 222 HA SER 33 HA SER 33 17.425 5.353 21.854 223 1HB SER 33 1HB SER 33 18.497 3.321 20.857 224 2HB SER 33 2HB SER 33 17.854 3.019 22.476 225 HG SER 33 HG SER 33 17.378 1.414 20.830 226 H TYR 34 H TYR 34 15.649 3.329 19.604 227 HA TYR 34 HA TYR 34 16.660 4.416 17.275 228 1HB TYR 34 1HB TYR 34 13.932 3.134 17.676 229 2HB TYR 34 2HB TYR 34 14.811 3.288 16.168 230 HD1 TYR 34 HD1 TYR 34 14.687 1.550 19.410 231 HD2 TYR 34 HD2 TYR 34 16.662 1.804 15.613 232 HE1 TYR 34 HE1 TYR 34 15.795 -0.610 19.858 233 HE2 TYR 34 HE2 TYR 34 17.783 -0.406 16.074 234 HH TYR 34 HH TYR 34 17.640 -2.336 17.400 235 HA PRO 35 HA PRO 35 15.982 4.798 15.151 236 1HB PRO 35 1HB PRO 35 16.572 6.875 13.450 237 2HB PRO 35 2HB PRO 35 15.102 5.888 13.372 238 1HG PRO 35 1HG PRO 35 15.423 8.644 14.364 239 2HG PRO 35 2HG PRO 35 13.976 7.793 13.774 240 1HD PRO 35 1HD PRO 35 14.749 8.345 16.476 241 2HD PRO 35 2HD PRO 35 13.347 7.380 16.000 242 H HIS 36 H HIS 36 18.157 5.056 14.215 243 HA HIS 36 HA HIS 36 19.957 6.661 15.867 244 1HB HIS 36 1HB HIS 36 21.354 4.782 16.550 245 2HB HIS 36 2HB HIS 36 19.762 4.778 17.316 246 HD1 HIS 36 HD1 HIS 36 22.003 2.369 16.342 247 HD2 HIS 36 HD2 HIS 36 18.131 3.175 15.021 248 HE1 HIS 36 HE1 HIS 36 21.058 0.148 15.409 249 HE2 HIS 36 HE2 HIS 36 18.672 0.755 14.610 250 H TRP 37 H TRP 37 22.324 6.263 15.131 251 HA TRP 37 HA TRP 37 22.277 6.568 12.228 252 1HB TRP 37 1HB TRP 37 23.836 7.867 13.451 253 2HB TRP 37 2HB TRP 37 24.420 6.471 14.324 254 HD1 TRP 37 HD1 TRP 37 24.270 7.307 10.504 255 HE1 TRP 37 HE1 TRP 37 26.536 6.720 9.462 256 HE3 TRP 37 HE3 TRP 37 26.527 5.650 14.704 257 HZ2 TRP 37 HZ2 TRP 37 29.027 5.628 10.374 258 HZ3 TRP 37 HZ3 TRP 37 28.896 4.805 14.600 259 HH2 TRP 37 HH2 TRP 37 30.066 4.734 12.443 260 H PHE 38 H PHE 38 22.537 5.179 10.762 261 HA PHE 38 HA PHE 38 23.014 2.339 11.366 262 1HB PHE 38 1HB PHE 38 20.898 2.853 10.223 263 2HB PHE 38 2HB PHE 38 21.745 3.802 9.031 264 HD1 PHE 38 HD1 PHE 38 22.524 0.383 10.438 265 HD2 PHE 38 HD2 PHE 38 21.616 2.736 6.962 266 HE1 PHE 38 HE1 PHE 38 22.889 -1.580 9.002 267 HE2 PHE 38 HE2 PHE 38 21.935 0.762 5.541 268 HZ PHE 38 HZ PHE 38 22.511 -1.390 6.512 269 H THR 39 H THR 39 25.224 2.888 11.644 270 HA THR 39 HA THR 39 27.133 3.828 9.961 271 HB THR 39 HB THR 39 28.655 2.028 10.685 272 HG1 THR 39 HG1 THR 39 26.219 0.850 11.462 273 1HG2 THR 39 1HG2 THR 39 27.022 3.510 12.467 274 2HG2 THR 39 2HG2 THR 39 27.019 1.898 13.161 275 3HG2 THR 39 3HG2 THR 39 28.568 2.709 12.835 276 H ASN 40 H ASN 40 25.175 0.994 9.296 277 HA ASN 40 HA ASN 40 24.772 -0.161 7.370 278 1HB ASN 40 1HB ASN 40 24.706 2.192 6.357 279 2HB ASN 40 2HB ASN 40 26.367 1.939 5.885 280 1HD2 ASN 40 1HD2 ASN 40 26.627 1.358 3.830 281 2HD2 ASN 40 2HD2 ASN 40 25.461 0.362 2.959 282 H GLY 41 H GLY 41 27.515 0.031 8.929 283 1HA GLY 41 1HA GLY 41 28.942 -1.984 8.869 284 2HA GLY 41 2HA GLY 41 29.047 -1.667 7.080 285 H TYR 42 H TYR 42 29.175 1.227 7.508 286 HA TYR 42 HA TYR 42 31.970 1.576 7.378 287 1HB TYR 42 1HB TYR 42 29.626 3.409 8.079 288 2HB TYR 42 2HB TYR 42 31.215 4.025 7.917 289 HD1 TYR 42 HD1 TYR 42 32.168 4.459 5.975 290 HD2 TYR 42 HD2 TYR 42 28.539 2.287 5.871 291 HE1 TYR 42 HE1 TYR 42 32.004 4.847 3.418 292 HE2 TYR 42 HE2 TYR 42 28.331 2.686 3.408 293 HH TYR 42 HH TYR 42 30.207 4.937 1.702 294 H ASP 43 H ASP 43 32.897 3.319 8.941 295 HA ASP 43 HA ASP 43 32.855 2.206 11.712 296 1HB ASP 43 1HB ASP 43 34.929 3.303 9.916 297 2HB ASP 43 2HB ASP 43 34.961 4.028 11.489 298 H GLY 44 H GLY 44 32.709 5.216 9.902 299 1HA GLY 44 1HA GLY 44 30.998 6.559 11.795 300 2HA GLY 44 2HA GLY 44 32.658 7.087 11.993 301 H ASP 45 H ASP 45 33.716 7.523 9.647 302 HA ASP 45 HA ASP 45 32.042 9.566 8.402 303 1HB ASP 45 1HB ASP 45 34.949 8.684 8.304 304 2HB ASP 45 2HB ASP 45 34.284 9.614 6.987 305 H GLY 46 H GLY 46 34.245 7.752 6.521 306 1HA GLY 46 1HA GLY 46 32.085 6.434 4.984 307 2HA GLY 46 2HA GLY 46 33.216 7.495 4.160 308 H LYS 47 H LYS 47 34.139 5.359 6.836 309 HA LYS 47 HA LYS 47 35.650 3.629 4.937 310 1HB LYS 47 1HB LYS 47 36.863 4.349 7.602 311 2HB LYS 47 2HB LYS 47 37.613 3.841 6.083 312 1HG LYS 47 1HG LYS 47 36.705 6.186 5.187 313 2HG LYS 47 2HG LYS 47 36.546 6.572 6.905 314 1HD LYS 47 1HD LYS 47 39.134 5.430 6.519 315 2HD LYS 47 2HD LYS 47 38.860 6.514 5.145 316 1HE LYS 47 1HE LYS 47 38.681 8.415 6.485 317 2HE LYS 47 2HE LYS 47 38.129 7.501 7.894 318 1HZ LYS 47 1HZ LYS 47 40.299 6.618 8.197 319 2HZ LYS 47 2HZ LYS 47 40.875 7.329 6.833 320 3HZ LYS 47 3HZ LYS 47 40.441 8.255 8.126 321 H LEU 48 H LEU 48 35.891 1.489 5.601 322 HA LEU 48 HA LEU 48 34.043 0.718 7.807 323 1HB LEU 48 1HB LEU 48 34.748 -1.111 5.526 324 2HB LEU 48 2HB LEU 48 33.381 -1.148 6.574 325 HG LEU 48 HG LEU 48 33.277 1.342 5.055 326 1HD1 LEU 48 1HD1 LEU 48 34.637 -0.080 3.463 327 2HD1 LEU 48 2HD1 LEU 48 33.263 -1.204 3.402 328 3HD1 LEU 48 3HD1 LEU 48 33.071 0.482 2.841 329 1HD2 LEU 48 1HD2 LEU 48 31.489 -0.411 6.155 330 2HD2 LEU 48 2HD2 LEU 48 31.133 0.965 5.104 331 3HD2 LEU 48 3HD2 LEU 48 31.271 -0.693 4.456 332 HA PRO 49 HA PRO 49 37.395 -1.268 9.733 333 1HB PRO 49 1HB PRO 49 36.240 -3.589 10.774 334 2HB PRO 49 2HB PRO 49 36.119 -1.948 11.476 335 1HG PRO 49 1HG PRO 49 34.070 -3.508 10.030 336 2HG PRO 49 2HG PRO 49 33.862 -2.132 11.147 337 1HD PRO 49 1HD PRO 49 33.772 -2.065 8.311 338 2HD PRO 49 2HD PRO 49 33.691 -0.685 9.416 339 H LYS 50 H LYS 50 38.852 -3.002 9.601 340 HA LYS 50 HA LYS 50 39.430 -4.047 7.058 341 1HB LYS 50 1HB LYS 50 41.246 -4.077 8.379 342 2HB LYS 50 2HB LYS 50 40.388 -4.663 9.802 343 1HG LYS 50 1HG LYS 50 40.440 -6.923 9.087 344 2HG LYS 50 2HG LYS 50 40.737 -6.480 7.402 345 1HD LYS 50 1HD LYS 50 42.730 -7.368 8.128 346 2HD LYS 50 2HD LYS 50 43.018 -5.625 8.168 347 1HE LYS 50 1HE LYS 50 41.901 -6.950 10.645 348 2HE LYS 50 2HE LYS 50 43.574 -7.319 10.239 349 1HZ LYS 50 1HZ LYS 50 42.497 -4.576 10.560 350 2HZ LYS 50 2HZ LYS 50 43.388 -5.360 11.691 351 3HZ LYS 50 3HZ LYS 50 44.060 -4.960 10.245 352 H GLY 51 H GLY 51 37.855 -4.993 6.006 353 1HA GLY 51 1HA GLY 51 36.853 -7.050 5.170 354 2HA GLY 51 2HA GLY 51 37.069 -7.769 6.772 355 H ARG 52 H ARG 52 35.125 -5.527 4.852 356 HA ARG 52 HA ARG 52 32.822 -6.234 6.476 357 1HB ARG 52 1HB ARG 52 34.148 -3.897 7.175 358 2HB ARG 52 2HB ARG 52 33.009 -3.277 5.994 359 1HG ARG 52 1HG ARG 52 32.010 -5.225 8.112 360 2HG ARG 52 2HG ARG 52 32.371 -3.585 8.621 361 1HD ARG 52 1HD ARG 52 30.856 -2.612 7.205 362 2HD ARG 52 2HD ARG 52 30.650 -3.938 6.168 363 HE ARG 52 HE ARG 52 29.891 -4.414 8.999 364 1HH1 ARG 52 2HH2 ARG 52 28.743 -3.449 5.910 365 2HH1 ARG 52 1HH2 ARG 52 27.083 -3.873 6.146 366 1HH2 ARG 52 2HH1 ARG 52 27.710 -4.948 9.391 367 2HH2 ARG 52 1HH1 ARG 52 26.533 -4.661 8.098 368 H THR 53 H THR 53 30.846 -5.732 5.462 369 HA THR 53 HA THR 53 31.013 -4.849 2.621 370 HB THR 53 HB THR 53 30.097 -7.523 3.594 371 HG1 THR 53 HG1 THR 53 31.643 -8.040 2.173 372 1HG2 THR 53 1HG2 THR 53 28.810 -5.892 1.457 373 2HG2 THR 53 2HG2 THR 53 29.531 -7.375 0.841 374 3HG2 THR 53 3HG2 THR 53 28.336 -7.445 2.166 375 HA PRO 54 HA PRO 54 27.459 -2.691 4.451 376 1HB PRO 54 1HB PRO 54 27.430 -0.661 2.596 377 2HB PRO 54 2HB PRO 54 28.414 -0.651 4.092 378 1HG PRO 54 1HG PRO 54 29.258 -1.035 1.288 379 2HG PRO 54 2HG PRO 54 30.193 -0.496 2.685 380 1HD PRO 54 1HD PRO 54 30.103 -3.111 1.526 381 2HD PRO 54 2HD PRO 54 30.972 -2.639 3.019 382 H ILE 55 H ILE 55 25.339 -2.280 3.832 383 HA ILE 55 HA ILE 55 24.381 -4.337 2.042 384 HB ILE 55 HB ILE 55 22.801 -2.046 3.238 385 1HG1 ILE 55 1HG1 ILE 55 23.758 -4.647 4.474 386 2HG1 ILE 55 2HG1 ILE 55 23.880 -2.997 5.096 387 1HG2 ILE 55 1HG2 ILE 55 21.774 -3.469 1.394 388 2HG2 ILE 55 2HG2 ILE 55 21.973 -4.875 2.486 389 3HG2 ILE 55 3HG2 ILE 55 20.927 -3.508 2.933 390 1HD1 ILE 55 1HD1 ILE 55 21.546 -4.866 5.132 391 2HD1 ILE 55 2HD1 ILE 55 22.187 -3.765 6.387 392 3HD1 ILE 55 3HD1 ILE 55 21.249 -3.109 5.050 393 H LYS 56 H LYS 56 24.117 -4.164 -0.096 394 HA LYS 56 HA LYS 56 24.465 -1.490 -1.374 395 1HB LYS 56 1HB LYS 56 25.936 -3.062 -2.259 396 2HB LYS 56 2HB LYS 56 24.732 -4.333 -2.350 397 1HG LYS 56 1HG LYS 56 24.386 -1.765 -3.961 398 2HG LYS 56 2HG LYS 56 25.459 -3.045 -4.516 399 1HD LYS 56 1HD LYS 56 23.366 -4.618 -4.047 400 2HD LYS 56 2HD LYS 56 22.434 -3.131 -4.228 401 1HE LYS 56 1HE LYS 56 22.781 -2.917 -6.397 402 2HE LYS 56 2HE LYS 56 24.451 -3.507 -6.328 403 1HZ LYS 56 1HZ LYS 56 22.274 -4.957 -7.160 404 2HZ LYS 56 2HZ LYS 56 23.763 -5.565 -6.806 405 3HZ LYS 56 3HZ LYS 56 22.591 -5.544 -5.655 406 H PHE 57 H PHE 57 22.892 -0.472 -2.215 407 HA PHE 57 HA PHE 57 20.189 -1.746 -2.545 408 1HB PHE 57 1HB PHE 57 20.693 1.200 -2.154 409 2HB PHE 57 2HB PHE 57 19.247 0.256 -1.834 410 HD1 PHE 57 HD1 PHE 57 22.722 1.077 -0.651 411 HD2 PHE 57 HD2 PHE 57 18.942 -0.697 0.298 412 HE1 PHE 57 HE1 PHE 57 23.375 1.008 1.704 413 HE2 PHE 57 HE2 PHE 57 19.631 -0.775 2.754 414 HZ PHE 57 HZ PHE 57 21.863 0.018 3.392 415 H GLY 58 H GLY 58 22.176 0.942 -3.785 416 1HA GLY 58 1HA GLY 58 22.655 0.938 -6.269 417 2HA GLY 58 2HA GLY 58 20.919 0.642 -6.473 418 H LYS 59 H LYS 59 21.065 2.591 -3.856 419 HA LYS 59 HA LYS 59 20.227 4.974 -5.373 420 1HB LYS 59 1HB LYS 59 20.209 3.995 -2.573 421 2HB LYS 59 2HB LYS 59 20.601 5.703 -2.673 422 1HG LYS 59 1HG LYS 59 18.286 4.588 -4.271 423 2HG LYS 59 2HG LYS 59 18.071 4.908 -2.552 424 1HD LYS 59 1HD LYS 59 17.840 7.090 -2.922 425 2HD LYS 59 2HD LYS 59 19.398 7.223 -3.708 426 1HE LYS 59 1HE LYS 59 17.847 8.026 -5.248 427 2HE LYS 59 2HE LYS 59 18.227 6.394 -5.824 428 1HZ LYS 59 1HZ LYS 59 15.750 7.097 -5.610 429 2HZ LYS 59 2HZ LYS 59 16.167 5.607 -5.048 430 3HZ LYS 59 3HZ LYS 59 15.947 6.841 -4.000 431 H SER 60 H SER 60 21.166 7.133 -4.571 432 HA SER 60 HA SER 60 24.062 6.941 -5.150 433 1HB SER 60 1HB SER 60 23.758 9.430 -5.623 434 2HB SER 60 2HB SER 60 22.934 8.321 -6.742 435 HG SER 60 HG SER 60 21.875 10.048 -4.800 436 H ASP 61 H ASP 61 21.729 8.630 -3.049 437 HA ASP 61 HA ASP 61 23.820 9.661 -1.279 438 1HB ASP 61 1HB ASP 61 20.795 9.577 -1.247 439 2HB ASP 61 2HB ASP 61 21.683 10.000 0.209 440 H CYS 62 H CYS 62 21.525 6.981 -1.240 441 HA CYS 62 HA CYS 62 22.325 6.060 1.440 442 1HB CYS 62 1HB CYS 62 20.052 5.594 0.836 443 2HB CYS 62 2HB CYS 62 20.539 5.056 -0.749 444 H ASP 63 H ASP 63 23.668 5.848 -1.667 445 HA ASP 63 HA ASP 63 25.275 3.415 -1.051 446 1HB ASP 63 1HB ASP 63 24.455 3.558 -3.274 447 2HB ASP 63 2HB ASP 63 24.975 5.263 -3.420 448 H ARG 64 H ARG 64 25.562 6.972 -1.579 449 HA ARG 64 HA ARG 64 28.272 7.112 -1.474 450 1HB ARG 64 1HB ARG 64 27.875 9.321 -1.578 451 2HB ARG 64 2HB ARG 64 26.183 8.938 -1.553 452 1HG ARG 64 1HG ARG 64 26.274 9.063 1.017 453 2HG ARG 64 2HG ARG 64 27.841 9.870 0.758 454 1HD ARG 64 1HD ARG 64 25.128 10.848 0.376 455 2HD ARG 64 2HD ARG 64 26.645 11.694 0.798 456 HE ARG 64 HE ARG 64 27.106 11.136 -1.785 457 1HH1 ARG 64 2HH2 ARG 64 24.226 12.415 -0.312 458 2HH1 ARG 64 1HH2 ARG 64 23.688 13.142 -1.714 459 1HH2 ARG 64 2HH1 ARG 64 26.474 12.250 -3.600 460 2HH2 ARG 64 1HH1 ARG 64 24.992 13.169 -3.515 461 HA PRO 65 HA PRO 65 29.485 6.447 2.626 462 1HB PRO 65 1HB PRO 65 31.433 8.376 3.100 463 2HB PRO 65 2HB PRO 65 31.640 6.825 2.218 464 1HG PRO 65 1HG PRO 65 31.487 9.576 1.112 465 2HG PRO 65 2HG PRO 65 32.170 8.087 0.386 466 1HD PRO 65 1HD PRO 65 29.657 9.302 -0.121 467 2HD PRO 65 2HD PRO 65 30.260 7.766 -0.799 468 HA PRO 66 HA PRO 66 27.066 9.254 5.114 469 1HB PRO 66 1HB PRO 66 27.537 8.084 7.604 470 2HB PRO 66 2HB PRO 66 26.358 7.525 6.397 471 1HG PRO 66 1HG PRO 66 28.935 6.287 7.142 472 2HG PRO 66 2HG PRO 66 27.511 5.571 6.348 473 1HD PRO 66 1HD PRO 66 29.919 6.465 5.107 474 2HD PRO 66 2HD PRO 66 28.443 5.833 4.326 475 H LYS 67 H LYS 67 27.336 10.598 7.142 476 HA LYS 67 HA LYS 67 30.191 11.361 7.635 477 1HB LYS 67 1HB LYS 67 29.429 12.847 5.871 478 2HB LYS 67 2HB LYS 67 27.984 13.238 6.740 479 1HG LYS 67 1HG LYS 67 29.095 14.987 7.713 480 2HG LYS 67 2HG LYS 67 30.136 13.835 8.557 481 1HD LYS 67 1HD LYS 67 31.595 13.710 6.549 482 2HD LYS 67 2HD LYS 67 30.655 15.091 5.897 483 1HE LYS 67 1HE LYS 67 31.151 16.087 8.333 484 2HE LYS 67 2HE LYS 67 32.468 14.918 8.335 485 1HZ LYS 67 1HZ LYS 67 32.577 17.374 7.199 486 2HZ LYS 67 2HZ LYS 67 33.599 16.134 6.839 487 3HZ LYS 67 3HZ LYS 67 32.286 16.415 5.898 488 H HIS 68 H HIS 68 29.248 9.773 9.418 489 HA HIS 68 HA HIS 68 27.559 11.293 11.376 490 1HB HIS 68 1HB HIS 68 27.143 8.930 11.055 491 2HB HIS 68 2HB HIS 68 28.804 8.534 11.432 492 HD1 HIS 68 HD1 HIS 68 29.511 8.581 13.951 493 HD2 HIS 68 HD2 HIS 68 25.511 9.581 13.205 494 HE1 HIS 68 HE1 HIS 68 28.289 8.522 16.226 495 HE2 HIS 68 HE2 HIS 68 25.819 9.102 15.753 496 H SER 69 H SER 69 28.335 11.469 13.607 497 HA SER 69 HA SER 69 31.212 11.543 14.083 498 1HB SER 69 1HB SER 69 29.977 13.870 13.031 499 2HB SER 69 2HB SER 69 30.254 14.185 14.753 500 HG SER 69 HG SER 69 32.139 13.249 12.843 501 H LYS 70 H LYS 70 31.157 13.250 16.295 502 HA LYS 70 HA LYS 70 29.679 11.527 18.236 503 1HB LYS 70 1HB LYS 70 32.230 12.857 18.206 504 2HB LYS 70 2HB LYS 70 31.309 13.574 19.493 505 1HG LYS 70 1HG LYS 70 31.217 10.564 19.241 506 2HG LYS 70 2HG LYS 70 32.704 11.323 19.818 507 1HD LYS 70 1HD LYS 70 31.508 12.498 21.574 508 2HD LYS 70 2HD LYS 70 29.943 11.892 21.014 509 1HE LYS 70 1HE LYS 70 30.242 9.821 21.917 510 2HE LYS 70 2HE LYS 70 31.942 9.762 21.454 511 1HZ LYS 70 1HZ LYS 70 30.820 10.527 23.966 512 2HZ LYS 70 2HZ LYS 70 32.382 10.157 23.605 513 3HZ LYS 70 3HZ LYS 70 31.821 11.685 23.393 514 H ASP 71 H ASP 71 27.680 12.275 17.395 515 HA ASP 71 HA ASP 71 26.433 14.107 19.157 516 1HB ASP 71 1HB ASP 71 27.632 15.346 16.772 517 2HB ASP 71 2HB ASP 71 25.909 15.541 16.740 518 H GLY 72 H GLY 72 26.385 12.898 15.864 519 1HA GLY 72 1HA GLY 72 24.710 11.104 15.390 520 2HA GLY 72 2HA GLY 72 23.499 12.138 16.181 521 H ASN 73 H ASN 73 24.191 14.612 15.078 522 HA ASN 73 HA ASN 73 24.329 14.331 12.176 523 1HB ASN 73 1HB ASN 73 21.993 13.982 12.365 524 2HB ASN 73 2HB ASN 73 21.843 15.148 13.683 525 1HD2 ASN 73 1HD2 ASN 73 20.731 16.799 12.962 526 2HD2 ASN 73 2HD2 ASN 73 20.984 17.533 11.373 527 H GLY 74 H GLY 74 26.297 15.503 12.738 528 1HA GLY 74 1HA GLY 74 26.322 18.002 14.109 529 2HA GLY 74 2HA GLY 74 27.533 17.424 12.949 530 H LYS 75 H LYS 75 27.697 18.554 11.142 531 HA LYS 75 HA LYS 75 25.908 20.815 10.581 532 1HB LYS 75 1HB LYS 75 28.309 19.574 9.201 533 2HB LYS 75 2HB LYS 75 27.316 20.708 8.300 534 1HG LYS 75 1HG LYS 75 27.659 22.070 10.689 535 2HG LYS 75 2HG LYS 75 29.208 21.227 10.513 536 1HD LYS 75 1HD LYS 75 29.381 22.153 8.183 537 2HD LYS 75 2HD LYS 75 27.816 22.962 8.423 538 1HE LYS 75 1HE LYS 75 28.802 24.135 10.419 539 2HE LYS 75 2HE LYS 75 30.380 23.479 9.978 540 1HZ LYS 75 1HZ LYS 75 30.397 24.754 8.017 541 2HZ LYS 75 2HZ LYS 75 28.774 25.008 8.026 542 3HZ LYS 75 3HZ LYS 75 29.729 25.796 9.096 543 H THR 76 H THR 76 26.620 18.806 7.903 544 HA THR 76 HA THR 76 23.661 18.388 7.513 545 HB THR 76 HB THR 76 25.254 19.885 5.908 546 HG1 THR 76 HG1 THR 76 23.203 20.024 5.472 547 1HG2 THR 76 1HG2 THR 76 25.934 18.833 3.928 548 2HG2 THR 76 2HG2 THR 76 26.393 17.603 5.135 549 3HG2 THR 76 3HG2 THR 76 24.887 17.442 4.200 550 H ASP 77 H ASP 77 25.836 16.713 8.929 551 HA ASP 77 HA ASP 77 26.853 14.584 7.792 552 1HB ASP 77 1HB ASP 77 24.966 14.553 10.173 553 2HB ASP 77 2HB ASP 77 26.018 13.242 9.738 554 H HIS 78 H HIS 78 26.050 13.452 6.036 555 HA HIS 78 HA HIS 78 23.114 13.014 5.801 556 1HB HIS 78 1HB HIS 78 23.909 11.948 3.560 557 2HB HIS 78 2HB HIS 78 23.867 13.674 3.751 558 HD1 HIS 78 HD1 HIS 78 26.206 10.923 2.916 559 HD2 HIS 78 HD2 HIS 78 26.370 14.843 4.420 560 HE1 HIS 78 HE1 HIS 78 28.599 11.751 2.473 561 HE2 HIS 78 HE2 HIS 78 28.734 14.125 3.443 562 H TYR 79 H TYR 79 24.889 11.722 7.756 563 HA TYR 79 HA TYR 79 25.445 9.022 7.464 564 1HB TYR 79 1HB TYR 79 25.403 8.972 9.745 565 2HB TYR 79 2HB TYR 79 25.908 10.594 9.392 566 HD1 TYR 79 HD1 TYR 79 24.156 8.994 11.751 567 HD2 TYR 79 HD2 TYR 79 23.228 11.894 8.815 568 HE1 TYR 79 HE1 TYR 79 22.330 9.862 13.127 569 HE2 TYR 79 HE2 TYR 79 21.504 12.873 10.211 570 HH TYR 79 HH TYR 79 21.152 12.378 13.269 571 H LEU 80 H LEU 80 24.282 7.160 7.461 572 HA LEU 80 HA LEU 80 21.414 7.433 6.836 573 1HB LEU 80 1HB LEU 80 23.580 5.360 6.678 574 2HB LEU 80 2HB LEU 80 21.989 4.763 7.033 575 HG LEU 80 HG LEU 80 22.046 6.777 4.838 576 1HD1 LEU 80 1HD1 LEU 80 22.642 4.627 3.303 577 2HD1 LEU 80 2HD1 LEU 80 23.854 5.800 3.850 578 3HD1 LEU 80 3HD1 LEU 80 23.641 4.245 4.711 579 1HD2 LEU 80 1HD2 LEU 80 20.210 5.061 5.803 580 2HD2 LEU 80 2HD2 LEU 80 20.218 5.571 4.096 581 3HD2 LEU 80 3HD2 LEU 80 20.934 4.037 4.546 582 H LEU 81 H LEU 81 19.752 6.379 8.060 583 HA LEU 81 HA LEU 81 20.493 5.548 10.796 584 1HB LEU 81 1HB LEU 81 18.385 7.643 10.135 585 2HB LEU 81 2HB LEU 81 18.561 6.906 11.667 586 HG LEU 81 HG LEU 81 21.167 7.939 11.006 587 1HD1 LEU 81 1HD1 LEU 81 19.554 10.342 10.855 588 2HD1 LEU 81 2HD1 LEU 81 20.985 9.793 9.936 589 3HD1 LEU 81 3HD1 LEU 81 19.405 9.326 9.399 590 1HD2 LEU 81 1HD2 LEU 81 20.112 9.643 12.878 591 2HD2 LEU 81 2HD2 LEU 81 19.246 8.139 13.168 592 3HD2 LEU 81 3HD2 LEU 81 21.010 8.168 13.130 593 H GLU 82 H GLU 82 19.276 3.962 11.583 594 HA GLU 82 HA GLU 82 17.178 2.917 9.759 595 1HB GLU 82 1HB GLU 82 17.602 0.749 10.626 596 2HB GLU 82 2HB GLU 82 19.179 1.464 10.220 597 1HG GLU 82 1HG GLU 82 18.114 1.470 13.012 598 2HG GLU 82 2HG GLU 82 18.943 0.114 12.333 599 H PHE 83 H PHE 83 15.256 2.116 10.584 600 HA PHE 83 HA PHE 83 14.672 2.835 13.412 601 1HB PHE 83 1HB PHE 83 13.998 4.570 11.582 602 2HB PHE 83 2HB PHE 83 12.742 3.369 11.213 603 HD1 PHE 83 HD1 PHE 83 10.758 4.148 11.819 604 HD2 PHE 83 HD2 PHE 83 14.031 4.438 14.535 605 HE1 PHE 83 HE1 PHE 83 9.194 4.938 13.666 606 HE2 PHE 83 HE2 PHE 83 12.488 5.332 16.293 607 HZ PHE 83 HZ PHE 83 10.183 5.698 15.740 608 HA PRO 84 HA PRO 84 12.836 -1.231 13.194 609 1HB PRO 84 1HB PRO 84 11.930 -1.390 15.807 610 2HB PRO 84 2HB PRO 84 13.595 -1.750 15.281 611 1HG PRO 84 1HG PRO 84 12.581 0.618 16.723 612 2HG PRO 84 2HG PRO 84 14.216 -0.067 16.575 613 1HD PRO 84 1HD PRO 84 13.076 2.187 15.188 614 2HD PRO 84 2HD PRO 84 14.696 1.456 14.917 615 H THR 85 H THR 85 11.198 -1.274 11.939 616 HA THR 85 HA THR 85 8.653 0.002 12.792 617 HB THR 85 HB THR 85 9.339 0.909 10.687 618 HG1 THR 85 HG1 THR 85 7.606 -1.236 10.097 619 1HG2 THR 85 1HG2 THR 85 9.874 -1.897 9.695 620 2HG2 THR 85 2HG2 THR 85 9.771 -0.430 8.693 621 3HG2 THR 85 3HG2 THR 85 11.024 -0.547 9.930 622 H PHE 86 H PHE 86 7.180 -1.220 13.584 623 HA PHE 86 HA PHE 86 7.352 -4.122 13.286 624 1HB PHE 86 1HB PHE 86 5.314 -2.303 14.617 625 2HB PHE 86 2HB PHE 86 5.336 -4.056 14.797 626 HD1 PHE 86 HD1 PHE 86 6.331 -1.082 16.285 627 HD2 PHE 86 HD2 PHE 86 7.822 -5.062 15.436 628 HE1 PHE 86 HE1 PHE 86 7.767 -1.045 18.293 629 HE2 PHE 86 HE2 PHE 86 9.378 -4.865 17.376 630 HZ PHE 86 HZ PHE 86 9.310 -2.792 18.763 631 HA PRO 87 HA PRO 87 4.408 -4.596 10.052 632 1HB PRO 87 1HB PRO 87 3.188 -6.988 10.739 633 2HB PRO 87 2HB PRO 87 4.801 -6.814 9.981 634 1HG PRO 87 1HG PRO 87 4.166 -7.575 12.764 635 2HG PRO 87 2HG PRO 87 5.641 -7.845 11.786 636 1HD PRO 87 1HD PRO 87 5.180 -5.861 13.777 637 2HD PRO 87 2HD PRO 87 6.622 -6.058 12.758 638 H ASP 88 H ASP 88 3.015 -5.351 13.263 639 HA ASP 88 HA ASP 88 0.300 -5.050 12.934 640 1HB ASP 88 1HB ASP 88 1.241 -5.467 15.116 641 2HB ASP 88 2HB ASP 88 2.094 -3.949 15.078 642 H GLY 89 H GLY 89 2.747 -2.563 12.711 643 1HA GLY 89 1HA GLY 89 2.551 -0.590 11.490 644 2HA GLY 89 2HA GLY 89 0.771 -0.669 11.599 645 H HIS 90 H HIS 90 1.833 -1.368 14.557 646 HA HIS 90 HA HIS 90 1.010 1.151 15.647 647 1HB HIS 90 1HB HIS 90 1.324 0.202 17.798 648 2HB HIS 90 2HB HIS 90 0.663 -1.028 16.756 649 HD1 HIS 90 HD1 HIS 90 1.813 -3.252 17.058 650 HD2 HIS 90 HD2 HIS 90 4.244 -0.021 18.053 651 HE1 HIS 90 HE1 HIS 90 4.088 -4.303 17.787 652 HE2 HIS 90 HE2 HIS 90 5.578 -2.293 18.390 653 H ASP 91 H ASP 91 2.161 2.888 16.068 654 HA ASP 91 HA ASP 91 4.909 3.200 15.244 655 1HB ASP 91 1HB ASP 91 3.464 5.076 15.171 656 2HB ASP 91 2HB ASP 91 2.930 4.866 16.844 657 H TYR 92 H TYR 92 6.297 1.871 16.234 658 HA TYR 92 HA TYR 92 6.470 0.790 18.686 659 1HB TYR 92 1HB TYR 92 8.213 0.550 16.954 660 2HB TYR 92 2HB TYR 92 8.611 2.212 17.044 661 HD1 TYR 92 HD1 TYR 92 10.883 2.094 17.621 662 HD2 TYR 92 HD2 TYR 92 8.032 -0.026 20.086 663 HE1 TYR 92 HE1 TYR 92 12.610 1.676 19.341 664 HE2 TYR 92 HE2 TYR 92 9.771 -0.485 21.742 665 HH TYR 92 HH TYR 92 12.862 -0.438 21.083 666 H LYS 93 H LYS 93 6.929 1.404 20.820 667 HA LYS 93 HA LYS 93 6.600 4.226 21.454 668 1HB LYS 93 1HB LYS 93 6.845 3.365 23.806 669 2HB LYS 93 2HB LYS 93 5.458 2.787 22.860 670 1HG LYS 93 1HG LYS 93 6.358 0.627 22.562 671 2HG LYS 93 2HG LYS 93 8.012 1.130 22.911 672 1HD LYS 93 1HD LYS 93 6.788 -0.202 24.694 673 2HD LYS 93 2HD LYS 93 7.634 1.282 25.212 674 1HE LYS 93 1HE LYS 93 5.682 2.464 25.543 675 2HE LYS 93 2HE LYS 93 4.743 1.443 24.444 676 1HZ LYS 93 1HZ LYS 93 4.084 0.809 26.581 677 2HZ LYS 93 2HZ LYS 93 5.117 -0.381 26.135 678 3HZ LYS 93 3HZ LYS 93 5.625 0.791 27.174 679 H PHE 94 H PHE 94 8.583 4.462 19.989 680 HA PHE 94 HA PHE 94 11.181 4.027 21.237 681 1HB PHE 94 1HB PHE 94 11.975 5.432 19.350 682 2HB PHE 94 2HB PHE 94 11.136 3.981 18.864 683 HD1 PHE 94 HD1 PHE 94 9.070 4.046 17.737 684 HD2 PHE 94 HD2 PHE 94 10.870 7.694 19.040 685 HE1 PHE 94 HE1 PHE 94 7.420 5.264 16.427 686 HE2 PHE 94 HE2 PHE 94 9.218 8.980 17.663 687 HZ PHE 94 HZ PHE 94 7.470 7.752 16.375 688 H ASP 95 H ASP 95 8.693 6.311 21.578 689 HA ASP 95 HA ASP 95 10.439 8.534 22.352 690 1HB ASP 95 1HB ASP 95 7.982 8.487 21.195 691 2HB ASP 95 2HB ASP 95 7.476 8.487 22.868 692 H SER 96 H SER 96 8.408 6.088 23.790 693 HA SER 96 HA SER 96 8.653 7.181 26.539 694 1HB SER 96 1HB SER 96 7.076 5.016 25.242 695 2HB SER 96 2HB SER 96 7.621 4.682 26.896 696 HG SER 96 HG SER 96 6.117 6.918 26.008 697 H LYS 97 H LYS 97 10.638 7.071 27.272 698 HA LYS 97 HA LYS 97 12.574 5.042 26.700 699 1HB LYS 97 1HB LYS 97 13.941 6.055 28.257 700 2HB LYS 97 2HB LYS 97 12.832 7.368 27.878 701 1HG LYS 97 1HG LYS 97 11.527 6.807 29.968 702 2HG LYS 97 2HG LYS 97 12.699 5.506 30.293 703 1HD LYS 97 1HD LYS 97 13.448 7.107 31.661 704 2HD LYS 97 2HD LYS 97 14.506 7.250 30.241 705 1HE LYS 97 1HE LYS 97 12.897 9.063 29.397 706 2HE LYS 97 2HE LYS 97 12.073 8.954 30.957 707 1HZ LYS 97 1HZ LYS 97 13.610 10.458 31.610 708 2HZ LYS 97 2HZ LYS 97 14.687 9.209 31.624 709 3HZ LYS 97 3HZ LYS 97 14.586 10.182 30.312 710 H LYS 98 H LYS 98 10.331 5.268 29.364 711 HA LYS 98 HA LYS 98 10.526 2.385 29.704 712 1HB LYS 98 1HB LYS 98 11.944 2.728 31.336 713 2HB LYS 98 2HB LYS 98 11.332 4.296 31.814 714 1HG LYS 98 1HG LYS 98 9.645 1.810 32.257 715 2HG LYS 98 2HG LYS 98 10.948 2.156 33.359 716 1HD LYS 98 1HD LYS 98 9.891 3.937 34.323 717 2HD LYS 98 2HD LYS 98 9.288 4.553 32.800 718 1HE LYS 98 1HE LYS 98 7.651 2.501 32.849 719 2HE LYS 98 2HE LYS 98 8.070 2.410 34.559 720 1HZ LYS 98 1HZ LYS 98 6.902 4.741 33.132 721 2HZ LYS 98 2HZ LYS 98 6.128 3.814 34.247 722 3HZ LYS 98 3HZ LYS 98 7.370 4.782 34.705 723 HA PRO 99 HA PRO 99 9.492 0.778 30.275 724 1HB PRO 99 1HB PRO 99 7.585 -0.800 29.125 725 2HB PRO 99 2HB PRO 99 7.853 -0.560 30.870 726 1HG PRO 99 1HG PRO 99 5.683 0.518 29.153 727 2HG PRO 99 2HG PRO 99 5.716 0.271 30.920 728 1HD PRO 99 1HD PRO 99 6.092 2.733 29.472 729 2HD PRO 99 2HD PRO 99 6.230 2.487 31.224 730 H LYS 100 H LYS 100 9.859 -0.690 28.286 731 HA LYS 100 HA LYS 100 9.586 0.744 25.697 732 1HB LYS 100 1HB LYS 100 11.595 1.602 26.096 733 2HB LYS 100 2HB LYS 100 12.125 0.313 27.188 734 1HG LYS 100 1HG LYS 100 12.369 -1.217 25.201 735 2HG LYS 100 2HG LYS 100 11.893 0.146 24.162 736 1HD LYS 100 1HD LYS 100 13.881 1.386 25.083 737 2HD LYS 100 2HD LYS 100 14.317 -0.043 26.030 738 1HE LYS 100 1HE LYS 100 13.816 -0.281 23.058 739 2HE LYS 100 2HE LYS 100 15.368 0.350 23.609 740 1HZ LYS 100 1HZ LYS 100 15.711 -1.691 24.810 741 2HZ LYS 100 2HZ LYS 100 14.195 -2.232 24.471 742 3HZ LYS 100 3HZ LYS 100 15.310 -2.109 23.272 743 H GLU 101 H GLU 101 8.744 -0.630 24.345 744 HA GLU 101 HA GLU 101 8.721 -3.500 24.975 745 1HB GLU 101 1HB GLU 101 6.727 -2.348 23.975 746 2HB GLU 101 2HB GLU 101 7.650 -1.989 22.526 747 1HG GLU 101 1HG GLU 101 6.136 -3.974 22.281 748 2HG GLU 101 2HG GLU 101 7.817 -4.363 21.996 749 H ASN 102 H ASN 102 9.373 -5.076 23.289 750 HA ASN 102 HA ASN 102 12.013 -5.106 22.717 751 1HB ASN 102 1HB ASN 102 9.682 -6.639 21.920 752 2HB ASN 102 2HB ASN 102 10.567 -6.267 20.452 753 1HD2 ASN 102 1HD2 ASN 102 10.723 -8.670 20.465 754 2HD2 ASN 102 2HD2 ASN 102 12.166 -9.281 21.291 755 HA PRO 103 HA PRO 103 12.769 -2.243 19.498 756 1HB PRO 103 1HB PRO 103 15.000 -3.374 18.233 757 2HB PRO 103 2HB PRO 103 15.030 -2.544 19.810 758 1HG PRO 103 1HG PRO 103 15.198 -5.468 19.274 759 2HG PRO 103 2HG PRO 103 15.780 -4.510 20.672 760 1HD PRO 103 1HD PRO 103 13.403 -6.066 20.455 761 2HD PRO 103 2HD PRO 103 13.900 -5.025 21.824 762 H GLY 104 H GLY 104 13.878 -4.978 17.560 763 1HA GLY 104 1HA GLY 104 11.770 -5.847 16.200 764 2HA GLY 104 2HA GLY 104 11.896 -4.233 15.502 765 HA PRO 105 HA PRO 105 15.294 -7.095 13.801 766 1HB PRO 105 1HB PRO 105 13.967 -8.660 11.904 767 2HB PRO 105 2HB PRO 105 14.423 -9.190 13.546 768 1HG PRO 105 1HG PRO 105 11.823 -8.466 12.451 769 2HG PRO 105 2HG PRO 105 12.156 -9.425 13.899 770 1HD PRO 105 1HD PRO 105 11.307 -6.694 13.800 771 2HD PRO 105 2HD PRO 105 11.834 -7.627 15.225 772 H ALA 106 H ALA 106 12.561 -6.644 11.480 773 HA ALA 106 HA ALA 106 14.247 -5.464 9.504 774 1HB ALA 106 1HB ALA 106 11.277 -5.290 9.847 775 2HB ALA 106 2HB ALA 106 12.179 -5.034 8.356 776 3HB ALA 106 3HB ALA 106 12.192 -6.661 9.095 777 H ARG 107 H ARG 107 14.618 -3.422 8.993 778 HA ARG 107 HA ARG 107 13.287 -1.267 10.491 779 1HB ARG 107 1HB ARG 107 16.322 -1.605 10.302 780 2HB ARG 107 2HB ARG 107 15.480 -0.195 10.942 781 1HG ARG 107 1HG ARG 107 14.357 -2.207 12.483 782 2HG ARG 107 2HG ARG 107 15.875 -2.916 12.154 783 1HD ARG 107 1HD ARG 107 16.323 -0.126 12.910 784 2HD ARG 107 2HD ARG 107 15.130 -0.810 13.990 785 HE ARG 107 HE ARG 107 16.686 -1.956 15.049 786 1HH1 ARG 107 2HH2 ARG 107 17.702 -1.681 11.788 787 2HH1 ARG 107 1HH2 ARG 107 19.252 -2.437 11.977 788 1HH2 ARG 107 2HH1 ARG 107 18.661 -2.999 15.384 789 2HH2 ARG 107 1HH1 ARG 107 19.779 -3.181 14.048 790 H VAL 108 H VAL 108 13.266 0.693 9.525 791 HA VAL 108 HA VAL 108 13.589 0.612 6.588 792 HB VAL 108 HB VAL 108 11.540 1.510 7.459 793 1HG1 VAL 108 1HG1 VAL 108 11.803 3.876 8.633 794 2HG1 VAL 108 2HG1 VAL 108 11.681 2.357 9.528 795 3HG1 VAL 108 3HG1 VAL 108 13.262 3.136 9.247 796 1HG2 VAL 108 1HG2 VAL 108 11.730 3.920 6.467 797 2HG2 VAL 108 2HG2 VAL 108 13.385 3.452 6.061 798 3HG2 VAL 108 3HG2 VAL 108 12.009 2.477 5.480 799 H ILE 109 H ILE 109 15.293 1.328 5.566 800 HA ILE 109 HA ILE 109 17.266 3.014 7.073 801 HB ILE 109 HB ILE 109 17.609 1.209 4.670 802 1HG1 ILE 109 1HG1 ILE 109 17.429 -0.291 6.428 803 2HG1 ILE 109 2HG1 ILE 109 19.174 0.066 6.397 804 1HG2 ILE 109 1HG2 ILE 109 19.276 2.687 4.313 805 2HG2 ILE 109 2HG2 ILE 109 19.371 3.160 6.073 806 3HG2 ILE 109 3HG2 ILE 109 20.097 1.688 5.468 807 1HD1 ILE 109 1HD1 ILE 109 18.548 0.084 8.659 808 2HD1 ILE 109 2HD1 ILE 109 18.663 1.802 8.187 809 3HD1 ILE 109 3HD1 ILE 109 17.087 0.945 8.355 810 H TYR 110 H TYR 110 18.025 4.886 6.355 811 HA TYR 110 HA TYR 110 17.372 5.879 3.737 812 1HB TYR 110 1HB TYR 110 15.845 7.616 4.536 813 2HB TYR 110 2HB TYR 110 15.179 6.051 4.931 814 HD1 TYR 110 HD1 TYR 110 14.518 5.587 7.172 815 HD2 TYR 110 HD2 TYR 110 17.253 8.828 6.449 816 HE1 TYR 110 HE1 TYR 110 14.426 6.288 9.561 817 HE2 TYR 110 HE2 TYR 110 17.184 9.483 8.775 818 HH TYR 110 HH TYR 110 14.755 8.186 10.921 819 H THR 111 H THR 111 18.318 7.906 3.320 820 HA THR 111 HA THR 111 20.608 8.484 5.088 821 HB THR 111 HB THR 111 21.605 9.453 3.265 822 HG1 THR 111 HG1 THR 111 19.948 10.980 2.732 823 1HG2 THR 111 1HG2 THR 111 19.612 7.643 1.804 824 2HG2 THR 111 2HG2 THR 111 21.268 8.112 1.421 825 3HG2 THR 111 3HG2 THR 111 20.954 7.044 2.791 826 H TYR 112 H TYR 112 21.188 10.743 5.536 827 HA TYR 112 HA TYR 112 18.720 12.272 6.130 828 1HB TYR 112 1HB TYR 112 19.686 11.739 8.098 829 2HB TYR 112 2HB TYR 112 21.329 11.929 7.521 830 HD1 TYR 112 HD1 TYR 112 18.981 13.394 9.623 831 HD2 TYR 112 HD2 TYR 112 21.933 14.476 6.706 832 HE1 TYR 112 HE1 TYR 112 19.033 15.756 10.496 833 HE2 TYR 112 HE2 TYR 112 22.050 16.704 7.571 834 HH TYR 112 HH TYR 112 21.525 17.907 9.455 835 HA PRO 113 HA PRO 113 18.357 14.302 6.977 836 1HB PRO 113 1HB PRO 113 16.968 16.460 6.076 837 2HB PRO 113 2HB PRO 113 18.353 16.517 7.184 838 1HG PRO 113 1HG PRO 113 18.246 17.239 4.305 839 2HG PRO 113 2HG PRO 113 19.399 17.760 5.560 840 1HD PRO 113 1HD PRO 113 19.854 15.759 3.534 841 2HD PRO 113 2HD PRO 113 20.895 16.136 4.908 842 H ASN 114 H ASN 114 17.532 15.089 3.644 843 HA ASN 114 HA ASN 114 14.935 14.168 3.586 844 1HB ASN 114 1HB ASN 114 16.803 14.954 1.629 845 2HB ASN 114 2HB ASN 114 16.585 13.268 1.240 846 1HD2 ASN 114 1HD2 ASN 114 15.762 14.209 -0.725 847 2HD2 ASN 114 2HD2 ASN 114 14.026 14.610 -0.753 848 H LYS 115 H LYS 115 14.167 12.314 4.362 849 HA LYS 115 HA LYS 115 15.673 9.980 4.859 850 1HB LYS 115 1HB LYS 115 12.879 10.892 5.206 851 2HB LYS 115 2HB LYS 115 12.941 9.177 4.863 852 1HG LYS 115 1HG LYS 115 13.863 8.607 6.760 853 2HG LYS 115 2HG LYS 115 14.947 10.027 6.836 854 1HD LYS 115 1HD LYS 115 12.008 10.089 7.519 855 2HD LYS 115 2HD LYS 115 13.339 9.856 8.679 856 1HE LYS 115 1HE LYS 115 13.444 12.065 8.852 857 2HE LYS 115 2HE LYS 115 14.326 11.985 7.322 858 1HZ LYS 115 1HZ LYS 115 12.702 13.165 6.429 859 2HZ LYS 115 2HZ LYS 115 11.601 11.988 6.789 860 3HZ LYS 115 3HZ LYS 115 11.887 13.212 7.860 861 H VAL 116 H VAL 116 16.678 9.785 2.846 862 HA VAL 116 HA VAL 116 15.226 8.969 0.478 863 HB VAL 116 HB VAL 116 18.133 8.990 1.244 864 1HG1 VAL 116 1HG1 VAL 116 18.399 7.255 -0.184 865 2HG1 VAL 116 2HG1 VAL 116 16.900 7.611 -1.068 866 3HG1 VAL 116 3HG1 VAL 116 18.410 8.539 -1.371 867 1HG2 VAL 116 1HG2 VAL 116 17.586 11.154 0.691 868 2HG2 VAL 116 2HG2 VAL 116 18.133 10.582 -0.854 869 3HG2 VAL 116 3HG2 VAL 116 16.384 10.682 -0.534 870 H PHE 117 H PHE 117 13.932 7.491 1.790 871 HA PHE 117 HA PHE 117 14.614 5.116 2.950 872 1HB PHE 117 1HB PHE 117 12.344 5.716 2.892 873 2HB PHE 117 2HB PHE 117 12.354 5.958 1.138 874 HD1 PHE 117 HD1 PHE 117 12.691 3.341 3.723 875 HD2 PHE 117 HD2 PHE 117 11.776 4.249 -0.366 876 HE1 PHE 117 HE1 PHE 117 11.920 0.990 3.383 877 HE2 PHE 117 HE2 PHE 117 11.006 1.931 -0.731 878 HZ PHE 117 HZ PHE 117 11.137 0.300 1.157 879 H CYS 118 H CYS 118 16.193 3.801 2.282 880 HA CYS 118 HA CYS 118 16.617 3.285 -0.548 881 1HB CYS 118 1HB CYS 118 18.223 3.324 1.728 882 2HB CYS 118 2HB CYS 118 18.112 1.602 1.341 883 H GLY 119 H GLY 119 15.747 1.418 2.351 884 1HA GLY 119 1HA GLY 119 13.733 -0.098 1.225 885 2HA GLY 119 2HA GLY 119 15.226 -1.042 0.999 886 H ILE 120 H ILE 120 14.773 -2.640 2.496 887 HA ILE 120 HA ILE 120 14.537 -1.734 5.340 888 HB ILE 120 HB ILE 120 13.136 -4.126 4.189 889 1HG1 ILE 120 1HG1 ILE 120 12.266 -1.696 3.380 890 2HG1 ILE 120 2HG1 ILE 120 11.278 -3.072 3.723 891 1HG2 ILE 120 1HG2 ILE 120 12.838 -2.678 6.841 892 2HG2 ILE 120 2HG2 ILE 120 11.904 -4.097 6.312 893 3HG2 ILE 120 3HG2 ILE 120 13.644 -4.219 6.630 894 1HD1 ILE 120 1HD1 ILE 120 11.836 -0.877 5.696 895 2HD1 ILE 120 2HD1 ILE 120 10.414 -1.006 4.625 896 3HD1 ILE 120 3HD1 ILE 120 10.655 -2.222 5.878 897 H ILE 121 H ILE 121 15.683 -2.957 6.771 898 HA ILE 121 HA ILE 121 17.382 -5.112 5.593 899 HB ILE 121 HB ILE 121 19.336 -4.274 6.549 900 1HG1 ILE 121 1HG1 ILE 121 17.738 -2.172 8.068 901 2HG1 ILE 121 2HG1 ILE 121 18.453 -3.637 8.751 902 1HG2 ILE 121 1HG2 ILE 121 17.805 -1.993 5.229 903 2HG2 ILE 121 2HG2 ILE 121 19.508 -1.871 5.648 904 3HG2 ILE 121 3HG2 ILE 121 18.985 -3.123 4.544 905 1HD1 ILE 121 1HD1 ILE 121 19.885 -1.190 7.866 906 2HD1 ILE 121 2HD1 ILE 121 20.105 -2.192 9.277 907 3HD1 ILE 121 3HD1 ILE 121 20.661 -2.720 7.644 908 H ALA 122 H ALA 122 18.146 -6.633 7.098 909 HA ALA 122 HA ALA 122 17.457 -6.658 9.864 910 1HB ALA 122 1HB ALA 122 15.345 -7.300 9.946 911 2HB ALA 122 2HB ALA 122 15.210 -7.209 8.188 912 3HB ALA 122 3HB ALA 122 15.666 -8.741 8.977 913 H HIS 123 H HIS 123 18.129 -8.587 10.921 914 HA HIS 123 HA HIS 123 20.029 -10.133 9.266 915 1HB HIS 123 1HB HIS 123 19.777 -10.425 12.282 916 2HB HIS 123 2HB HIS 123 21.161 -10.691 11.251 917 HD1 HIS 123 HD1 HIS 123 22.856 -8.757 11.226 918 HD2 HIS 123 HD2 HIS 123 18.996 -7.660 12.506 919 HE1 HIS 123 HE1 HIS 123 23.014 -6.290 11.975 920 HE2 HIS 123 HE2 HIS 123 20.622 -5.618 12.676 921 H THR 124 H THR 124 18.876 -11.608 8.208 922 HA THR 124 HA THR 124 16.943 -13.380 9.665 923 HB THR 124 HB THR 124 16.452 -14.068 7.195 924 HG1 THR 124 HG1 THR 124 18.438 -13.092 6.543 925 1HG2 THR 124 1HG2 THR 124 14.916 -12.674 8.365 926 2HG2 THR 124 2HG2 THR 124 15.965 -11.242 8.259 927 3HG2 THR 124 3HG2 THR 124 15.240 -11.944 6.775 928 H LYS 125 H LYS 125 19.439 -13.770 10.401 929 HA LYS 125 HA LYS 125 20.283 -16.307 9.030 930 1HB LYS 125 1HB LYS 125 21.993 -14.579 8.891 931 2HB LYS 125 2HB LYS 125 21.981 -14.374 10.648 932 1HG LYS 125 1HG LYS 125 23.131 -16.303 11.047 933 2HG LYS 125 2HG LYS 125 22.406 -17.185 9.692 934 1HD LYS 125 1HD LYS 125 23.828 -16.332 8.102 935 2HD LYS 125 2HD LYS 125 24.315 -14.950 9.088 936 1HE LYS 125 1HE LYS 125 24.943 -17.426 10.490 937 2HE LYS 125 2HE LYS 125 25.566 -17.521 8.847 938 1HZ LYS 125 1HZ LYS 125 27.260 -16.289 9.634 939 2HZ LYS 125 2HZ LYS 125 26.260 -15.017 9.587 940 3HZ LYS 125 3HZ LYS 125 26.466 -15.842 11.002 941 H GLU 126 H GLU 126 19.057 -14.879 11.953 942 HA GLU 126 HA GLU 126 18.325 -17.299 13.064 943 1HB GLU 126 1HB GLU 126 21.114 -16.894 13.461 944 2HB GLU 126 2HB GLU 126 20.405 -16.432 14.964 945 1HG GLU 126 1HG GLU 126 19.706 -19.016 13.516 946 2HG GLU 126 2HG GLU 126 21.021 -18.873 14.686 947 H ASN 127 H ASN 127 19.788 -14.651 14.770 948 HA ASN 127 HA ASN 127 17.177 -13.420 15.445 949 1HB ASN 127 1HB ASN 127 18.315 -13.196 17.818 950 2HB ASN 127 2HB ASN 127 17.468 -14.677 17.401 951 1HD2 ASN 127 1HD2 ASN 127 20.655 -13.212 17.943 952 2HD2 ASN 127 2HD2 ASN 127 21.431 -14.815 17.973 953 H GLN 128 H GLN 128 20.692 -13.157 15.643 954 HA GLN 128 HA GLN 128 20.696 -10.463 14.640 955 1HB GLN 128 1HB GLN 128 20.200 -9.768 16.782 956 2HB GLN 128 2HB GLN 128 21.147 -11.025 17.567 957 1HG GLN 128 1HG GLN 128 23.136 -9.941 17.332 958 2HG GLN 128 2HG GLN 128 22.678 -9.104 15.840 959 1HE2 GLN 128 1HE2 GLN 128 24.024 -8.119 18.222 960 2HE2 GLN 128 2HE2 GLN 128 22.992 -6.786 18.732 961 H GLY 129 H GLY 129 21.829 -11.676 13.028 962 1HA GLY 129 1HA GLY 129 24.726 -12.100 13.772 963 2HA GLY 129 2HA GLY 129 23.881 -13.098 12.596 964 H GLU 130 H GLU 130 23.868 -12.396 10.518 965 HA GLU 130 HA GLU 130 25.373 -9.914 9.902 966 1HB GLU 130 1HB GLU 130 24.971 -12.536 8.631 967 2HB GLU 130 2HB GLU 130 24.619 -11.202 7.528 968 1HG GLU 130 1HG GLU 130 26.786 -10.131 8.105 969 2HG GLU 130 2HG GLU 130 27.128 -11.458 9.229 970 H LEU 131 H LEU 131 24.556 -8.272 8.602 971 HA LEU 131 HA LEU 131 21.595 -8.151 8.575 972 1HB LEU 131 1HB LEU 131 23.130 -6.389 9.747 973 2HB LEU 131 2HB LEU 131 23.503 -5.833 8.142 974 HG LEU 131 HG LEU 131 21.280 -5.068 7.763 975 1HD1 LEU 131 1HD1 LEU 131 19.889 -6.687 8.256 976 2HD1 LEU 131 2HD1 LEU 131 20.462 -6.941 9.896 977 3HD1 LEU 131 3HD1 LEU 131 19.448 -5.526 9.523 978 1HD2 LEU 131 1HD2 LEU 131 22.050 -3.451 9.110 979 2HD2 LEU 131 2HD2 LEU 131 20.784 -4.000 10.233 980 3HD2 LEU 131 3HD2 LEU 131 22.483 -4.472 10.461 981 H LYS 132 H LYS 132 20.492 -7.739 6.726 982 HA LYS 132 HA LYS 132 21.926 -7.357 4.171 983 1HB LYS 132 1HB LYS 132 20.599 -9.251 3.212 984 2HB LYS 132 2HB LYS 132 21.958 -9.701 4.227 985 1HG LYS 132 1HG LYS 132 20.669 -10.840 5.689 986 2HG LYS 132 2HG LYS 132 19.532 -9.524 5.851 987 1HD LYS 132 1HD LYS 132 19.381 -11.060 3.291 988 2HD LYS 132 2HD LYS 132 18.840 -11.864 4.713 989 1HE LYS 132 1HE LYS 132 17.958 -9.004 4.077 990 2HE LYS 132 2HE LYS 132 17.125 -10.372 3.353 991 1HZ LYS 132 1HZ LYS 132 17.456 -10.369 6.255 992 2HZ LYS 132 2HZ LYS 132 16.290 -9.391 5.623 993 3HZ LYS 132 3HZ LYS 132 16.290 -11.025 5.369 994 H LEU 133 H LEU 133 20.247 -7.185 2.418 995 HA LEU 133 HA LEU 133 18.212 -5.253 3.344 996 1HB LEU 133 1HB LEU 133 19.865 -4.858 1.393 997 2HB LEU 133 2HB LEU 133 18.913 -5.974 0.478 998 HG LEU 133 HG LEU 133 16.876 -4.385 1.139 999 1HD1 LEU 133 1HD1 LEU 133 17.707 -1.993 1.402 1000 2HD1 LEU 133 2HD1 LEU 133 17.880 -3.003 2.806 1001 3HD1 LEU 133 3HD1 LEU 133 19.296 -2.718 1.788 1002 1HD2 LEU 133 1HD2 LEU 133 17.706 -4.570 -1.115 1003 2HD2 LEU 133 2HD2 LEU 133 17.479 -2.845 -0.751 1004 3HD2 LEU 133 3HD2 LEU 133 19.120 -3.544 -0.755 1005 H CYS 134 H CYS 134 16.058 -5.634 3.187 1006 HA CYS 134 HA CYS 134 15.055 -8.346 2.906 1007 1HB CYS 134 1HB CYS 134 13.541 -5.760 3.098 1008 2HB CYS 134 2HB CYS 134 12.957 -7.319 3.491 1009 H SER 135 H SER 135 12.846 -8.331 1.544 1010 HA SER 135 HA SER 135 13.053 -7.035 -1.031 1011 1HB SER 135 1HB SER 135 13.744 -8.753 -2.399 1012 2HB SER 135 2HB SER 135 14.811 -8.916 -1.025 1013 HG SER 135 HG SER 135 13.143 -10.737 -2.039 1014 H HIS 136 H HIS 136 11.009 -6.377 -0.776 1015 HA HIS 136 HA HIS 136 8.727 -7.760 0.210 1016 1HB HIS 136 1HB HIS 136 7.636 -6.458 -1.821 1017 2HB HIS 136 2HB HIS 136 8.214 -5.562 -0.430 1018 HD1 HIS 136 HD1 HIS 136 10.471 -6.784 -3.159 1019 HD2 HIS 136 HD2 HIS 136 8.874 -3.311 -1.502 1020 HE1 HIS 136 HE1 HIS 136 11.794 -4.734 -4.263 1021 HE2 HIS 136 HE2 HIS 136 10.678 -2.620 -3.278 Start of MODEL 6 1 1H ALA 1 H1 ALA 1 1.819 0.599 0.669 2 2H ALA 1 H2 ALA 1 1.314 -0.946 0.347 3 3H ALA 1 H3 ALA 1 0.429 0.398 -0.188 4 HA ALA 1 HA ALA 1 2.344 -1.029 -1.483 5 1HB ALA 1 1HB ALA 1 0.384 1.149 -1.956 6 2HB ALA 1 2HB ALA 1 1.792 1.170 -3.039 7 3HB ALA 1 3HB ALA 1 0.770 -0.283 -2.938 8 H VAL 2 H VAL 2 4.454 -0.646 -2.014 9 HA VAL 2 HA VAL 2 5.707 1.609 -0.615 10 HB VAL 2 HB VAL 2 6.462 -0.784 -0.351 11 1HG1 VAL 2 1HG1 VAL 2 6.224 -1.494 -2.699 12 2HG1 VAL 2 2HG1 VAL 2 7.523 -0.372 -3.153 13 3HG1 VAL 2 3HG1 VAL 2 7.863 -1.749 -2.083 14 1HG2 VAL 2 1HG2 VAL 2 8.197 1.536 -1.073 15 2HG2 VAL 2 2HG2 VAL 2 8.029 0.679 0.460 16 3HG2 VAL 2 3HG2 VAL 2 8.957 -0.066 -0.838 17 H THR 3 H THR 3 6.422 3.380 -1.657 18 HA THR 3 HA THR 3 6.012 3.518 -4.526 19 HB THR 3 HB THR 3 6.904 5.627 -2.514 20 HG1 THR 3 HG1 THR 3 4.565 6.062 -2.683 21 1HG2 THR 3 1HG2 THR 3 5.705 5.747 -5.322 22 2HG2 THR 3 2HG2 THR 3 5.743 7.106 -4.223 23 3HG2 THR 3 3HG2 THR 3 7.266 6.393 -4.808 24 H TRP 4 H TRP 4 7.530 3.160 -6.038 25 HA TRP 4 HA TRP 4 10.249 2.748 -5.166 26 1HB TRP 4 1HB TRP 4 8.892 2.412 -7.837 27 2HB TRP 4 2HB TRP 4 10.558 2.078 -7.517 28 HD1 TRP 4 HD1 TRP 4 7.288 0.956 -5.705 29 HE1 TRP 4 HE1 TRP 4 7.404 -1.593 -5.284 30 HE3 TRP 4 HE3 TRP 4 11.825 0.113 -7.807 31 HZ2 TRP 4 HZ2 TRP 4 9.244 -3.701 -5.802 32 HZ3 TRP 4 HZ3 TRP 4 12.741 -2.198 -7.825 33 HH2 TRP 4 HH2 TRP 4 11.500 -4.084 -6.854 34 H THR 5 H THR 5 11.999 4.045 -5.693 35 HA THR 5 HA THR 5 11.447 6.444 -7.308 36 HB THR 5 HB THR 5 11.907 6.329 -4.377 37 HG1 THR 5 HG1 THR 5 10.927 8.455 -4.805 38 1HG2 THR 5 1HG2 THR 5 13.535 8.122 -6.202 39 2HG2 THR 5 2HG2 THR 5 13.032 8.681 -4.617 40 3HG2 THR 5 3HG2 THR 5 14.076 7.246 -4.745 41 H CYS 6 H CYS 6 13.184 7.244 -8.419 42 HA CYS 6 HA CYS 6 15.663 5.646 -8.162 43 1HB CYS 6 1HB CYS 6 13.923 5.990 -10.456 44 2HB CYS 6 2HB CYS 6 15.496 6.630 -10.784 45 H GLY 7 H GLY 7 15.447 7.799 -6.566 46 1HA GLY 7 1HA GLY 7 16.254 9.878 -6.081 47 2HA GLY 7 2HA GLY 7 17.593 9.411 -7.138 48 H GLY 8 H GLY 8 14.259 10.783 -7.182 49 1HA GLY 8 1HA GLY 8 14.787 13.057 -8.619 50 2HA GLY 8 2HA GLY 8 14.530 11.827 -9.859 51 H LEU 9 H LEU 9 12.488 10.475 -9.660 52 HA LEU 9 HA LEU 9 10.319 12.066 -8.426 53 1HB LEU 9 1HB LEU 9 10.461 10.803 -11.168 54 2HB LEU 9 2HB LEU 9 8.938 11.246 -10.409 55 HG LEU 9 HG LEU 9 11.174 13.254 -10.850 56 1HD1 LEU 9 1HD1 LEU 9 10.246 12.054 -12.973 57 2HD1 LEU 9 2HD1 LEU 9 8.796 13.040 -12.689 58 3HD1 LEU 9 3HD1 LEU 9 10.375 13.817 -12.942 59 1HD2 LEU 9 1HD2 LEU 9 9.565 13.971 -9.206 60 2HD2 LEU 9 2HD2 LEU 9 9.268 14.872 -10.702 61 3HD2 LEU 9 3HD2 LEU 9 8.202 13.521 -10.258 62 H LEU 10 H LEU 10 8.378 10.800 -7.930 63 HA LEU 10 HA LEU 10 9.190 8.247 -6.799 64 1HB LEU 10 1HB LEU 10 7.148 10.294 -6.279 65 2HB LEU 10 2HB LEU 10 6.514 8.653 -6.211 66 HG LEU 10 HG LEU 10 8.374 8.089 -4.588 67 1HD1 LEU 10 1HD1 LEU 10 9.797 10.073 -5.305 68 2HD1 LEU 10 2HD1 LEU 10 8.748 11.063 -4.283 69 3HD1 LEU 10 3HD1 LEU 10 9.689 9.733 -3.567 70 1HD2 LEU 10 1HD2 LEU 10 6.932 8.495 -2.914 71 2HD2 LEU 10 2HD2 LEU 10 6.943 10.246 -3.182 72 3HD2 LEU 10 3HD2 LEU 10 5.887 9.220 -4.155 73 H TYR 11 H TYR 11 7.782 6.328 -7.027 74 HA TYR 11 HA TYR 11 6.173 6.198 -9.435 75 1HB TYR 11 1HB TYR 11 8.752 4.614 -8.963 76 2HB TYR 11 2HB TYR 11 7.637 4.292 -10.239 77 HD1 TYR 11 HD1 TYR 11 10.685 5.743 -9.550 78 HD2 TYR 11 HD2 TYR 11 7.030 6.624 -11.619 79 HE1 TYR 11 HE1 TYR 11 11.891 7.411 -11.010 80 HE2 TYR 11 HE2 TYR 11 8.249 8.274 -13.074 81 HH TYR 11 HH TYR 11 10.162 9.158 -13.588 82 H ASN 12 H ASN 12 4.461 5.679 -7.998 83 HA ASN 12 HA ASN 12 4.618 3.755 -6.003 84 1HB ASN 12 1HB ASN 12 2.630 5.425 -7.024 85 2HB ASN 12 2HB ASN 12 2.038 3.835 -7.463 86 1HD2 ASN 12 1HD2 ASN 12 1.525 2.310 -5.931 87 2HD2 ASN 12 2HD2 ASN 12 1.279 2.744 -4.251 88 H GLN 13 H GLN 13 5.038 1.580 -6.172 89 HA GLN 13 HA GLN 13 5.511 0.185 -8.397 90 1HB GLN 13 1HB GLN 13 5.861 -0.824 -6.277 91 2HB GLN 13 2HB GLN 13 4.212 -0.718 -5.798 92 1HG GLN 13 1HG GLN 13 3.693 -2.703 -6.779 93 2HG GLN 13 2HG GLN 13 4.459 -2.246 -8.290 94 1HE2 GLN 13 1HE2 GLN 13 7.007 -1.859 -7.718 95 2HE2 GLN 13 2HE2 GLN 13 7.756 -3.310 -7.203 96 H ASN 14 H ASN 14 2.268 0.049 -6.772 97 HA ASN 14 HA ASN 14 0.883 -1.390 -8.531 98 1HB ASN 14 1HB ASN 14 0.122 0.127 -6.447 99 2HB ASN 14 2HB ASN 14 -0.344 1.260 -7.710 100 1HD2 ASN 14 1HD2 ASN 14 -2.440 0.783 -6.604 101 2HD2 ASN 14 2HD2 ASN 14 -3.395 -0.528 -7.253 102 H LYS 15 H LYS 15 1.697 2.101 -8.883 103 HA LYS 15 HA LYS 15 0.340 2.464 -11.336 104 1HB LYS 15 1HB LYS 15 1.695 4.078 -9.462 105 2HB LYS 15 2HB LYS 15 2.583 4.288 -10.956 106 1HG LYS 15 1HG LYS 15 0.668 5.066 -12.111 107 2HG LYS 15 2HG LYS 15 -0.456 4.390 -10.943 108 1HD LYS 15 1HD LYS 15 1.165 6.172 -9.421 109 2HD LYS 15 2HD LYS 15 0.866 6.977 -10.912 110 1HE LYS 15 1HE LYS 15 -1.010 7.627 -9.633 111 2HE LYS 15 2HE LYS 15 -1.644 6.288 -10.588 112 1HZ LYS 15 1HZ LYS 15 -2.237 5.603 -8.533 113 2HZ LYS 15 2HZ LYS 15 -0.719 4.951 -8.539 114 3HZ LYS 15 3HZ LYS 15 -1.004 6.381 -7.764 115 H ALA 16 H ALA 16 3.744 1.707 -10.470 116 HA ALA 16 HA ALA 16 4.828 1.756 -13.007 117 1HB ALA 16 1HB ALA 16 5.519 0.010 -10.641 118 2HB ALA 16 2HB ALA 16 6.539 0.268 -12.057 119 3HB ALA 16 3HB ALA 16 6.166 1.622 -10.968 120 H GLU 17 H GLU 17 3.816 -1.196 -11.214 121 HA GLU 17 HA GLU 17 3.916 -2.864 -13.438 122 1HB GLU 17 1HB GLU 17 2.206 -4.247 -12.022 123 2HB GLU 17 2HB GLU 17 3.825 -3.986 -11.383 124 1HG GLU 17 1HG GLU 17 3.102 -2.456 -9.813 125 2HG GLU 17 2HG GLU 17 1.676 -2.018 -10.702 126 H SER 18 H SER 18 1.384 -0.663 -12.275 127 HA SER 18 HA SER 18 -0.699 -1.699 -13.826 128 1HB SER 18 1HB SER 18 -1.315 -0.269 -12.047 129 2HB SER 18 2HB SER 18 -0.208 0.998 -12.577 130 HG SER 18 HG SER 18 -2.055 1.759 -13.299 131 H ASN 19 H ASN 19 1.483 1.126 -14.361 132 HA ASN 19 HA ASN 19 0.570 1.988 -16.737 133 1HB ASN 19 1HB ASN 19 2.531 2.910 -15.274 134 2HB ASN 19 2HB ASN 19 3.546 1.750 -16.123 135 1HD2 ASN 19 1HD2 ASN 19 0.864 3.895 -17.067 136 2HD2 ASN 19 2HD2 ASN 19 1.703 4.689 -18.384 137 H SER 20 H SER 20 2.408 -0.909 -15.926 138 HA SER 20 HA SER 20 3.026 -1.450 -18.707 139 1HB SER 20 1HB SER 20 4.619 -2.820 -17.908 140 2HB SER 20 2HB SER 20 4.319 -2.053 -16.355 141 HG SER 20 HG SER 20 4.259 -4.414 -16.339 142 H HIS 21 H HIS 21 0.697 -2.296 -16.218 143 HA HIS 21 HA HIS 21 -0.237 -4.723 -17.177 144 1HB HIS 21 1HB HIS 21 -1.420 -2.527 -15.510 145 2HB HIS 21 2HB HIS 21 -2.484 -3.725 -16.130 146 HD1 HIS 21 HD1 HIS 21 -2.929 -4.588 -13.692 147 HD2 HIS 21 HD2 HIS 21 1.059 -4.932 -15.016 148 HE1 HIS 21 HE1 HIS 21 -1.734 -6.140 -12.022 149 HE2 HIS 21 HE2 HIS 21 0.703 -6.349 -12.884 150 H HIS 22 H HIS 22 -1.062 -1.347 -18.135 151 HA HIS 22 HA HIS 22 -3.007 -2.265 -20.016 152 1HB HIS 22 1HB HIS 22 -2.042 0.468 -20.355 153 2HB HIS 22 2HB HIS 22 -3.659 -0.126 -20.054 154 HD1 HIS 22 HD1 HIS 22 -1.622 2.222 -18.659 155 HD2 HIS 22 HD2 HIS 22 -3.447 -1.202 -17.029 156 HE1 HIS 22 HE1 HIS 22 -1.729 2.599 -16.126 157 HE2 HIS 22 HE2 HIS 22 -2.887 0.498 -15.159 158 H ALA 23 H ALA 23 0.316 -0.844 -20.135 159 HA ALA 23 HA ALA 23 0.733 -0.605 -22.741 160 1HB ALA 23 1HB ALA 23 2.896 -2.085 -21.388 161 2HB ALA 23 2HB ALA 23 2.890 -0.496 -22.155 162 3HB ALA 23 3HB ALA 23 2.307 -0.674 -20.518 163 HA PRO 24 HA PRO 24 0.045 -4.586 -24.456 164 1HB PRO 24 1HB PRO 24 1.078 -4.124 -26.997 165 2HB PRO 24 2HB PRO 24 -0.553 -3.660 -26.470 166 1HG PRO 24 1HG PRO 24 1.799 -2.000 -26.897 167 2HG PRO 24 2HG PRO 24 0.114 -1.482 -26.834 168 1HD PRO 24 1HD PRO 24 2.085 -1.155 -24.784 169 2HD PRO 24 2HD PRO 24 0.371 -0.806 -24.676 170 H LEU 25 H LEU 25 1.094 -6.388 -23.989 171 HA LEU 25 HA LEU 25 3.837 -6.390 -23.500 172 1HB LEU 25 1HB LEU 25 1.689 -8.080 -23.034 173 2HB LEU 25 2HB LEU 25 2.648 -8.998 -24.179 174 HG LEU 25 HG LEU 25 4.509 -9.109 -22.729 175 1HD1 LEU 25 1HD1 LEU 25 3.227 -6.808 -21.325 176 2HD1 LEU 25 2HD1 LEU 25 4.384 -7.893 -20.473 177 3HD1 LEU 25 3HD1 LEU 25 4.897 -7.014 -21.875 178 1HD2 LEU 25 1HD2 LEU 25 1.852 -9.605 -21.437 179 2HD2 LEU 25 2HD2 LEU 25 3.116 -10.744 -21.950 180 3HD2 LEU 25 3HD2 LEU 25 3.307 -9.784 -20.490 181 H SER 26 H SER 26 5.140 -5.640 -25.101 182 HA SER 26 HA SER 26 5.950 -7.430 -27.056 183 1HB SER 26 1HB SER 26 3.692 -5.697 -27.841 184 2HB SER 26 2HB SER 26 5.085 -5.537 -28.903 185 HG SER 26 HG SER 26 3.355 -7.657 -28.571 186 H ASP 27 H ASP 27 7.574 -6.380 -28.579 187 HA ASP 27 HA ASP 27 8.800 -4.127 -27.183 188 1HB ASP 27 1HB ASP 27 10.464 -5.672 -27.286 189 2HB ASP 27 2HB ASP 27 9.767 -6.451 -28.672 190 H GLY 28 H GLY 28 8.330 -2.181 -28.124 191 1HA GLY 28 1HA GLY 28 8.007 -0.598 -29.728 192 2HA GLY 28 2HA GLY 28 9.063 -1.563 -30.768 193 H LYS 29 H LYS 29 5.710 -1.614 -29.440 194 HA LYS 29 HA LYS 29 4.730 -2.163 -32.161 195 1HB LYS 29 1HB LYS 29 4.815 -4.353 -31.340 196 2HB LYS 29 2HB LYS 29 4.266 -3.872 -29.734 197 1HG LYS 29 1HG LYS 29 2.038 -3.642 -30.390 198 2HG LYS 29 2HG LYS 29 2.447 -3.395 -32.097 199 1HD LYS 29 1HD LYS 29 2.514 -5.589 -32.580 200 2HD LYS 29 2HD LYS 29 3.256 -6.017 -31.037 201 1HE LYS 29 1HE LYS 29 0.819 -5.261 -30.110 202 2HE LYS 29 2HE LYS 29 0.337 -5.729 -31.741 203 1HZ LYS 29 1HZ LYS 29 2.110 -7.556 -30.365 204 2HZ LYS 29 2HZ LYS 29 0.585 -7.447 -29.742 205 3HZ LYS 29 3HZ LYS 29 0.812 -7.882 -31.318 206 H THR 30 H THR 30 4.874 0.045 -29.921 207 HA THR 30 HA THR 30 1.968 0.619 -29.910 208 HB THR 30 HB THR 30 2.384 1.789 -27.846 209 HG1 THR 30 HG1 THR 30 4.546 2.088 -27.230 210 1HG2 THR 30 1HG2 THR 30 4.260 -0.269 -27.055 211 2HG2 THR 30 2HG2 THR 30 2.556 -0.076 -26.634 212 3HG2 THR 30 3HG2 THR 30 3.063 -0.974 -28.084 213 H GLY 31 H GLY 31 1.238 2.651 -30.510 214 1HA GLY 31 1HA GLY 31 2.217 3.869 -32.698 215 2HA GLY 31 2HA GLY 31 1.373 4.751 -31.432 216 H SER 32 H SER 32 3.132 4.742 -29.308 217 HA SER 32 HA SER 32 5.045 6.673 -30.251 218 1HB SER 32 1HB SER 32 4.029 7.145 -28.142 219 2HB SER 32 2HB SER 32 4.350 5.524 -27.530 220 HG SER 32 HG SER 32 6.641 6.828 -28.310 221 H SER 33 H SER 33 5.265 3.498 -28.521 222 HA SER 33 HA SER 33 7.071 2.235 -29.941 223 1HB SER 33 1HB SER 33 8.416 4.528 -28.644 224 2HB SER 33 2HB SER 33 9.209 3.019 -28.296 225 HG SER 33 HG SER 33 9.232 2.623 -30.637 226 H TYR 34 H TYR 34 7.306 3.459 -26.541 227 HA TYR 34 HA TYR 34 7.890 1.043 -25.411 228 1HB TYR 34 1HB TYR 34 6.321 3.388 -24.273 229 2HB TYR 34 2HB TYR 34 7.182 2.197 -23.328 230 HD1 TYR 34 HD1 TYR 34 7.506 5.145 -25.508 231 HD2 TYR 34 HD2 TYR 34 9.643 2.233 -23.174 232 HE1 TYR 34 HE1 TYR 34 9.586 6.564 -25.629 233 HE2 TYR 34 HE2 TYR 34 11.675 3.715 -23.320 234 HH TYR 34 HH TYR 34 11.859 6.476 -25.357 235 HA PRO 35 HA PRO 35 7.558 0.012 -23.623 236 1HB PRO 35 1HB PRO 35 7.231 -2.689 -23.192 237 2HB PRO 35 2HB PRO 35 6.653 -1.441 -22.098 238 1HG PRO 35 1HG PRO 35 5.105 -3.128 -23.960 239 2HG PRO 35 2HG PRO 35 4.550 -2.205 -22.569 240 1HD PRO 35 1HD PRO 35 4.263 -1.511 -25.330 241 2HD PRO 35 2HD PRO 35 3.806 -0.522 -23.954 242 H HIS 36 H HIS 36 9.544 -1.100 -24.036 243 HA HIS 36 HA HIS 36 9.601 -2.401 -26.665 244 1HB HIS 36 1HB HIS 36 11.644 -1.093 -27.240 245 2HB HIS 36 2HB HIS 36 10.140 -0.185 -27.257 246 HD1 HIS 36 HD1 HIS 36 11.915 1.886 -27.060 247 HD2 HIS 36 HD2 HIS 36 11.385 -0.548 -23.678 248 HE1 HIS 36 HE1 HIS 36 12.834 3.202 -25.059 249 HE2 HIS 36 HE2 HIS 36 12.447 1.644 -22.998 250 H TRP 37 H TRP 37 11.484 -3.748 -27.017 251 HA TRP 37 HA TRP 37 12.063 -5.391 -24.883 252 1HB TRP 37 1HB TRP 37 12.560 -6.150 -27.040 253 2HB TRP 37 2HB TRP 37 13.534 -4.784 -27.429 254 HD1 TRP 37 HD1 TRP 37 13.870 -7.285 -24.455 255 HE1 TRP 37 HE1 TRP 37 16.285 -8.248 -24.418 256 HE3 TRP 37 HE3 TRP 37 15.565 -4.929 -28.604 257 HZ2 TRP 37 HZ2 TRP 37 18.622 -7.978 -26.019 258 HZ3 TRP 37 HZ3 TRP 37 17.924 -5.298 -29.329 259 HH2 TRP 37 HH2 TRP 37 19.407 -6.767 -28.058 260 H PHE 38 H PHE 38 13.734 -5.487 -23.350 261 HA PHE 38 HA PHE 38 15.192 -2.991 -22.920 262 1HB PHE 38 1HB PHE 38 13.470 -3.624 -21.180 263 2HB PHE 38 2HB PHE 38 14.210 -5.163 -21.050 264 HD1 PHE 38 HD1 PHE 38 15.675 -1.741 -21.141 265 HD2 PHE 38 HD2 PHE 38 15.167 -5.349 -18.921 266 HE1 PHE 38 HE1 PHE 38 17.177 -0.874 -19.353 267 HE2 PHE 38 HE2 PHE 38 16.643 -4.471 -17.123 268 HZ PHE 38 HZ PHE 38 17.650 -2.262 -17.343 269 H THR 39 H THR 39 16.888 -3.784 -24.375 270 HA THR 39 HA THR 39 18.279 -6.094 -24.341 271 HB THR 39 HB THR 39 20.327 -4.470 -24.679 272 HG1 THR 39 HG1 THR 39 19.426 -2.271 -24.988 273 1HG2 THR 39 1HG2 THR 39 18.704 -3.282 -26.643 274 2HG2 THR 39 2HG2 THR 39 19.598 -4.796 -26.809 275 3HG2 THR 39 3HG2 THR 39 17.895 -4.772 -26.267 276 H ASN 40 H ASN 40 18.180 -3.726 -21.722 277 HA ASN 40 HA ASN 40 19.125 -3.689 -19.704 278 1HB ASN 40 1HB ASN 40 17.584 -5.654 -19.453 279 2HB ASN 40 2HB ASN 40 18.850 -6.717 -19.987 280 1HD2 ASN 40 1HD2 ASN 40 18.961 -7.886 -18.133 281 2HD2 ASN 40 2HD2 ASN 40 19.583 -7.274 -16.618 282 H GLY 41 H GLY 41 20.913 -4.061 -22.141 283 1HA GLY 41 1HA GLY 41 23.284 -3.761 -21.896 284 2HA GLY 41 2HA GLY 41 23.281 -5.052 -20.742 285 H TYR 42 H TYR 42 21.529 -6.878 -22.120 286 HA TYR 42 HA TYR 42 23.271 -8.361 -23.617 287 1HB TYR 42 1HB TYR 42 20.230 -8.030 -23.815 288 2HB TYR 42 2HB TYR 42 21.077 -9.378 -24.487 289 HD1 TYR 42 HD1 TYR 42 22.711 -10.553 -22.693 290 HD2 TYR 42 HD2 TYR 42 19.183 -8.395 -21.727 291 HE1 TYR 42 HE1 TYR 42 22.526 -11.816 -20.476 292 HE2 TYR 42 HE2 TYR 42 19.001 -9.624 -19.546 293 HH TYR 42 HH TYR 42 21.515 -11.436 -18.267 294 H ASP 43 H ASP 43 23.344 -8.871 -25.913 295 HA ASP 43 HA ASP 43 23.258 -6.418 -27.472 296 1HB ASP 43 1HB ASP 43 24.639 -9.006 -27.554 297 2HB ASP 43 2HB ASP 43 23.904 -8.669 -29.113 298 H GLY 44 H GLY 44 21.717 -9.654 -27.325 299 1HA GLY 44 1HA GLY 44 19.345 -8.708 -28.660 300 2HA GLY 44 2HA GLY 44 20.300 -9.774 -29.665 301 H ASP 45 H ASP 45 21.111 -11.838 -28.402 302 HA ASP 45 HA ASP 45 18.823 -12.822 -26.805 303 1HB ASP 45 1HB ASP 45 20.097 -13.852 -29.237 304 2HB ASP 45 2HB ASP 45 20.264 -15.013 -27.932 305 H GLY 46 H GLY 46 22.253 -13.632 -27.656 306 1HA GLY 46 1HA GLY 46 22.924 -15.098 -25.422 307 2HA GLY 46 2HA GLY 46 24.056 -14.106 -26.353 308 H LYS 47 H LYS 47 24.833 -14.180 -23.897 309 HA LYS 47 HA LYS 47 23.493 -12.414 -22.127 310 1HB LYS 47 1HB LYS 47 26.347 -13.379 -22.017 311 2HB LYS 47 2HB LYS 47 25.425 -12.712 -20.675 312 1HG LYS 47 1HG LYS 47 24.343 -14.665 -20.253 313 2HG LYS 47 2HG LYS 47 23.969 -14.950 -21.931 314 1HD LYS 47 1HD LYS 47 26.855 -15.298 -21.459 315 2HD LYS 47 2HD LYS 47 25.904 -16.288 -20.372 316 1HE LYS 47 1HE LYS 47 24.558 -16.684 -22.766 317 2HE LYS 47 2HE LYS 47 26.209 -16.437 -23.343 318 1HZ LYS 47 1HZ LYS 47 25.145 -18.553 -21.639 319 2HZ LYS 47 2HZ LYS 47 26.240 -18.650 -22.869 320 3HZ LYS 47 3HZ LYS 47 26.706 -18.092 -21.390 321 H LEU 48 H LEU 48 25.481 -10.747 -21.110 322 HA LEU 48 HA LEU 48 25.345 -8.646 -23.034 323 1HB LEU 48 1HB LEU 48 26.763 -8.797 -20.351 324 2HB LEU 48 2HB LEU 48 26.534 -7.349 -21.306 325 HG LEU 48 HG LEU 48 23.957 -8.029 -21.146 326 1HD1 LEU 48 1HD1 LEU 48 25.286 -9.447 -18.838 327 2HD1 LEU 48 2HD1 LEU 48 23.594 -8.879 -18.774 328 3HD1 LEU 48 3HD1 LEU 48 24.067 -10.053 -19.960 329 1HD2 LEU 48 1HD2 LEU 48 25.042 -5.963 -20.392 330 2HD2 LEU 48 2HD2 LEU 48 23.730 -6.471 -19.341 331 3HD2 LEU 48 3HD2 LEU 48 25.414 -6.702 -18.838 332 HA PRO 49 HA PRO 49 29.191 -9.219 -24.966 333 1HB PRO 49 1HB PRO 49 29.837 -6.604 -25.670 334 2HB PRO 49 2HB PRO 49 28.689 -7.630 -26.548 335 1HG PRO 49 1HG PRO 49 28.143 -5.339 -24.743 336 2HG PRO 49 2HG PRO 49 27.088 -6.069 -25.960 337 1HD PRO 49 1HD PRO 49 26.956 -6.430 -23.129 338 2HD PRO 49 2HD PRO 49 25.990 -7.251 -24.349 339 H LYS 50 H LYS 50 31.485 -8.927 -24.869 340 HA LYS 50 HA LYS 50 32.431 -8.856 -22.248 341 1HB LYS 50 1HB LYS 50 33.833 -10.002 -23.636 342 2HB LYS 50 2HB LYS 50 33.654 -8.870 -24.961 343 1HG LYS 50 1HG LYS 50 34.974 -7.776 -22.492 344 2HG LYS 50 2HG LYS 50 35.876 -9.010 -23.333 345 1HD LYS 50 1HD LYS 50 34.731 -7.037 -25.224 346 2HD LYS 50 2HD LYS 50 35.729 -6.266 -24.010 347 1HE LYS 50 1HE LYS 50 37.478 -6.833 -25.328 348 2HE LYS 50 2HE LYS 50 37.274 -8.457 -24.666 349 1HZ LYS 50 1HZ LYS 50 35.439 -8.374 -26.637 350 2HZ LYS 50 2HZ LYS 50 36.653 -7.477 -27.287 351 3HZ LYS 50 3HZ LYS 50 36.947 -9.024 -26.787 352 H GLY 51 H GLY 51 31.776 -7.084 -21.080 353 1HA GLY 51 1HA GLY 51 32.933 -5.032 -20.285 354 2HA GLY 51 2HA GLY 51 32.899 -4.466 -21.957 355 H ARG 52 H ARG 52 30.798 -5.448 -19.205 356 HA ARG 52 HA ARG 52 29.162 -3.234 -19.460 357 1HB ARG 52 1HB ARG 52 28.413 -4.508 -21.579 358 2HB ARG 52 2HB ARG 52 27.826 -5.772 -20.536 359 1HG ARG 52 1HG ARG 52 26.107 -4.395 -19.671 360 2HG ARG 52 2HG ARG 52 26.968 -2.920 -20.000 361 1HD ARG 52 1HD ARG 52 26.676 -3.911 -22.564 362 2HD ARG 52 2HD ARG 52 25.240 -4.506 -21.801 363 HE ARG 52 HE ARG 52 25.491 -1.798 -21.046 364 1HH1 ARG 52 2HH2 ARG 52 24.938 -3.649 -23.971 365 2HH1 ARG 52 1HH2 ARG 52 24.091 -2.392 -24.775 366 1HH2 ARG 52 2HH1 ARG 52 24.354 -0.135 -22.093 367 2HH2 ARG 52 1HH1 ARG 52 23.752 -0.381 -23.695 368 H THR 53 H THR 53 27.207 -3.418 -17.987 369 HA THR 53 HA THR 53 27.407 -5.663 -16.124 370 HB THR 53 HB THR 53 27.979 -2.802 -15.573 371 HG1 THR 53 HG1 THR 53 29.544 -4.556 -15.587 372 1HG2 THR 53 1HG2 THR 53 27.567 -3.764 -13.060 373 2HG2 THR 53 2HG2 THR 53 26.357 -2.785 -13.919 374 3HG2 THR 53 3HG2 THR 53 26.225 -4.557 -13.886 375 HA PRO 54 HA PRO 54 23.080 -5.210 -16.920 376 1HB PRO 54 1HB PRO 54 22.350 -7.689 -15.885 377 2HB PRO 54 2HB PRO 54 22.869 -7.399 -17.541 378 1HG PRO 54 1HG PRO 54 24.357 -8.673 -15.305 379 2HG PRO 54 2HG PRO 54 24.675 -8.787 -17.005 380 1HD PRO 54 1HD PRO 54 26.090 -7.193 -15.143 381 2HD PRO 54 2HD PRO 54 26.316 -7.226 -16.892 382 H ILE 55 H ILE 55 21.045 -5.305 -15.630 383 HA ILE 55 HA ILE 55 21.676 -4.202 -12.999 384 HB ILE 55 HB ILE 55 19.017 -4.384 -14.437 385 1HG1 ILE 55 1HG1 ILE 55 21.257 -2.355 -14.608 386 2HG1 ILE 55 2HG1 ILE 55 20.348 -3.126 -15.898 387 1HG2 ILE 55 1HG2 ILE 55 19.972 -2.669 -12.108 388 2HG2 ILE 55 2HG2 ILE 55 18.395 -2.573 -12.881 389 3HG2 ILE 55 3HG2 ILE 55 18.826 -4.040 -12.030 390 1HD1 ILE 55 1HD1 ILE 55 18.279 -1.918 -14.849 391 2HD1 ILE 55 2HD1 ILE 55 19.501 -0.879 -14.081 392 3HD1 ILE 55 3HD1 ILE 55 19.393 -1.012 -15.857 393 H LYS 56 H LYS 56 21.639 -5.390 -11.203 394 HA LYS 56 HA LYS 56 20.548 -8.089 -11.343 395 1HB LYS 56 1HB LYS 56 22.720 -7.809 -10.335 396 2HB LYS 56 2HB LYS 56 22.133 -6.580 -9.227 397 1HG LYS 56 1HG LYS 56 21.973 -8.372 -7.795 398 2HG LYS 56 2HG LYS 56 20.406 -8.563 -8.532 399 1HD LYS 56 1HD LYS 56 21.015 -10.415 -9.784 400 2HD LYS 56 2HD LYS 56 22.689 -9.893 -9.952 401 1HE LYS 56 1HE LYS 56 22.954 -10.332 -7.424 402 2HE LYS 56 2HE LYS 56 21.384 -11.136 -7.497 403 1HZ LYS 56 1HZ LYS 56 22.660 -12.262 -9.559 404 2HZ LYS 56 2HZ LYS 56 23.929 -12.001 -8.541 405 3HZ LYS 56 3HZ LYS 56 22.640 -12.898 -8.044 406 H PHE 57 H PHE 57 18.640 -8.720 -10.566 407 HA PHE 57 HA PHE 57 17.079 -6.743 -9.008 408 1HB PHE 57 1HB PHE 57 16.075 -9.054 -10.729 409 2HB PHE 57 2HB PHE 57 15.142 -7.703 -10.111 410 HD1 PHE 57 HD1 PHE 57 17.507 -8.841 -12.685 411 HD2 PHE 57 HD2 PHE 57 15.284 -5.538 -11.196 412 HE1 PHE 57 HE1 PHE 57 17.911 -7.609 -14.822 413 HE2 PHE 57 HE2 PHE 57 15.693 -4.306 -13.385 414 HZ PHE 57 HZ PHE 57 17.018 -5.337 -15.133 415 H GLY 58 H GLY 58 17.568 -10.273 -9.563 416 1HA GLY 58 1HA GLY 58 18.134 -11.513 -7.462 417 2HA GLY 58 2HA GLY 58 16.717 -10.737 -6.753 418 H LYS 59 H LYS 59 15.940 -11.182 -9.966 419 HA LYS 59 HA LYS 59 14.588 -13.728 -9.344 420 1HB LYS 59 1HB LYS 59 13.870 -11.329 -11.037 421 2HB LYS 59 2HB LYS 59 13.203 -12.890 -11.410 422 1HG LYS 59 1HG LYS 59 13.110 -12.025 -8.529 423 2HG LYS 59 2HG LYS 59 12.026 -11.210 -9.649 424 1HD LYS 59 1HD LYS 59 10.644 -13.010 -9.797 425 2HD LYS 59 2HD LYS 59 11.977 -14.117 -10.075 426 1HE LYS 59 1HE LYS 59 11.355 -14.956 -8.050 427 2HE LYS 59 2HE LYS 59 12.455 -13.699 -7.478 428 1HZ LYS 59 1HZ LYS 59 9.516 -13.604 -7.612 429 2HZ LYS 59 2HZ LYS 59 10.483 -13.388 -6.295 430 3HZ LYS 59 3HZ LYS 59 10.403 -12.230 -7.466 431 H SER 60 H SER 60 14.653 -15.453 -10.755 432 HA SER 60 HA SER 60 17.074 -15.524 -12.315 433 1HB SER 60 1HB SER 60 16.534 -17.461 -10.987 434 2HB SER 60 2HB SER 60 14.933 -17.592 -11.714 435 HG SER 60 HG SER 60 15.787 -18.592 -13.393 436 H ASP 61 H ASP 61 14.058 -14.281 -12.900 437 HA ASP 61 HA ASP 61 13.713 -15.360 -15.552 438 1HB ASP 61 1HB ASP 61 12.212 -12.983 -14.429 439 2HB ASP 61 2HB ASP 61 11.670 -14.183 -15.589 440 H CYS 62 H CYS 62 14.153 -12.098 -14.006 441 HA CYS 62 HA CYS 62 14.741 -10.854 -16.489 442 1HB CYS 62 1HB CYS 62 15.588 -9.667 -13.879 443 2HB CYS 62 2HB CYS 62 14.939 -8.877 -15.297 444 H ASP 63 H ASP 63 16.531 -12.636 -14.045 445 HA ASP 63 HA ASP 63 19.099 -11.591 -14.690 446 1HB ASP 63 1HB ASP 63 18.718 -12.673 -12.544 447 2HB ASP 63 2HB ASP 63 18.167 -14.154 -13.343 448 H ARG 64 H ARG 64 16.987 -14.236 -15.838 449 HA ARG 64 HA ARG 64 18.936 -15.676 -17.194 450 1HB ARG 64 1HB ARG 64 17.160 -17.019 -17.565 451 2HB ARG 64 2HB ARG 64 16.143 -15.801 -16.825 452 1HG ARG 64 1HG ARG 64 15.933 -14.648 -19.062 453 2HG ARG 64 2HG ARG 64 16.728 -16.053 -19.754 454 1HD ARG 64 1HD ARG 64 13.997 -15.713 -19.049 455 2HD ARG 64 2HD ARG 64 14.769 -17.032 -19.934 456 HE ARG 64 HE ARG 64 15.437 -17.819 -17.536 457 1HH1 ARG 64 2HH2 ARG 64 12.414 -16.344 -18.411 458 2HH1 ARG 64 1HH2 ARG 64 11.506 -17.134 -17.172 459 1HH2 ARG 64 2HH1 ARG 64 14.274 -18.868 -15.910 460 2HH2 ARG 64 1HH1 ARG 64 12.577 -18.578 -15.741 461 HA PRO 65 HA PRO 65 19.549 -13.320 -20.793 462 1HB PRO 65 1HB PRO 65 20.002 -15.258 -22.735 463 2HB PRO 65 2HB PRO 65 21.199 -14.702 -21.549 464 1HG PRO 65 1HG PRO 65 19.665 -17.242 -21.600 465 2HG PRO 65 2HG PRO 65 21.160 -16.855 -20.722 466 1HD PRO 65 1HD PRO 65 18.516 -17.007 -19.650 467 2HD PRO 65 2HD PRO 65 19.970 -16.503 -18.801 468 HA PRO 66 HA PRO 66 15.737 -12.984 -22.859 469 1HB PRO 66 1HB PRO 66 16.417 -11.012 -24.700 470 2HB PRO 66 2HB PRO 66 16.007 -10.687 -23.008 471 1HG PRO 66 1HG PRO 66 18.657 -10.601 -24.293 472 2HG PRO 66 2HG PRO 66 18.091 -9.884 -22.781 473 1HD PRO 66 1HD PRO 66 19.688 -12.254 -23.094 474 2HD PRO 66 2HD PRO 66 19.041 -11.604 -21.602 475 H LYS 67 H LYS 67 14.745 -12.984 -25.115 476 HA LYS 67 HA LYS 67 16.434 -14.517 -26.943 477 1HB LYS 67 1HB LYS 67 14.314 -15.620 -25.350 478 2HB LYS 67 2HB LYS 67 13.872 -15.741 -27.023 479 1HG LYS 67 1HG LYS 67 16.699 -16.482 -26.387 480 2HG LYS 67 2HG LYS 67 15.472 -17.565 -25.788 481 1HD LYS 67 1HD LYS 67 14.654 -18.100 -27.932 482 2HD LYS 67 2HD LYS 67 15.305 -16.632 -28.664 483 1HE LYS 67 1HE LYS 67 17.143 -17.758 -29.298 484 2HE LYS 67 2HE LYS 67 17.563 -17.987 -27.620 485 1HZ LYS 67 1HZ LYS 67 16.068 -19.952 -27.648 486 2HZ LYS 67 2HZ LYS 67 15.924 -19.775 -29.286 487 3HZ LYS 67 3HZ LYS 67 17.398 -20.103 -28.621 488 H HIS 68 H HIS 68 16.419 -12.213 -27.746 489 HA HIS 68 HA HIS 68 13.919 -11.396 -28.967 490 1HB HIS 68 1HB HIS 68 15.375 -9.732 -27.902 491 2HB HIS 68 2HB HIS 68 16.675 -10.148 -29.014 492 HD1 HIS 68 HD1 HIS 68 16.691 -9.058 -31.317 493 HD2 HIS 68 HD2 HIS 68 13.148 -8.401 -29.126 494 HE1 HIS 68 HE1 HIS 68 15.340 -7.297 -32.614 495 HE2 HIS 68 HE2 HIS 68 13.154 -6.945 -31.247 496 H SER 69 H SER 69 13.519 -11.239 -31.172 497 HA SER 69 HA SER 69 15.479 -12.610 -32.909 498 1HB SER 69 1HB SER 69 12.825 -13.545 -32.171 499 2HB SER 69 2HB SER 69 12.929 -13.298 -33.901 500 HG SER 69 HG SER 69 15.128 -14.575 -32.811 501 H LYS 70 H LYS 70 12.159 -11.508 -33.615 502 HA LYS 70 HA LYS 70 13.146 -9.910 -35.793 503 1HB LYS 70 1HB LYS 70 10.625 -11.078 -34.942 504 2HB LYS 70 2HB LYS 70 10.377 -9.378 -35.242 505 1HG LYS 70 1HG LYS 70 12.060 -10.797 -37.295 506 2HG LYS 70 2HG LYS 70 10.393 -11.328 -37.191 507 1HD LYS 70 1HD LYS 70 10.117 -8.540 -37.124 508 2HD LYS 70 2HD LYS 70 11.512 -8.748 -38.165 509 1HE LYS 70 1HE LYS 70 9.882 -8.989 -39.777 510 2HE LYS 70 2HE LYS 70 9.919 -10.670 -39.237 511 1HZ LYS 70 1HZ LYS 70 7.673 -9.807 -39.265 512 2HZ LYS 70 2HZ LYS 70 8.112 -10.142 -37.708 513 3HZ LYS 70 3HZ LYS 70 8.077 -8.584 -38.236 514 H ASP 71 H ASP 71 11.582 -7.662 -35.803 515 HA ASP 71 HA ASP 71 13.073 -6.050 -33.961 516 1HB ASP 71 1HB ASP 71 12.043 -5.648 -36.489 517 2HB ASP 71 2HB ASP 71 10.842 -4.839 -35.537 518 H GLY 72 H GLY 72 11.503 -7.769 -32.462 519 1HA GLY 72 1HA GLY 72 9.935 -6.016 -30.911 520 2HA GLY 72 2HA GLY 72 8.880 -7.011 -31.862 521 H ASN 73 H ASN 73 8.435 -9.033 -31.150 522 HA ASN 73 HA ASN 73 9.995 -10.021 -28.857 523 1HB ASN 73 1HB ASN 73 7.756 -11.536 -28.772 524 2HB ASN 73 2HB ASN 73 7.851 -9.999 -27.987 525 1HD2 ASN 73 1HD2 ASN 73 5.913 -11.805 -29.773 526 2HD2 ASN 73 2HD2 ASN 73 5.038 -10.586 -30.686 527 H GLY 74 H GLY 74 7.669 -11.835 -30.844 528 1HA GLY 74 1HA GLY 74 8.421 -13.153 -32.783 529 2HA GLY 74 2HA GLY 74 9.881 -13.529 -31.860 530 H LYS 75 H LYS 75 9.680 -15.720 -31.644 531 HA LYS 75 HA LYS 75 7.346 -17.164 -31.260 532 1HB LYS 75 1HB LYS 75 10.243 -17.654 -30.481 533 2HB LYS 75 2HB LYS 75 8.980 -18.813 -30.063 534 1HG LYS 75 1HG LYS 75 8.352 -18.407 -32.694 535 2HG LYS 75 2HG LYS 75 10.084 -18.085 -32.756 536 1HD LYS 75 1HD LYS 75 10.590 -20.280 -31.813 537 2HD LYS 75 2HD LYS 75 8.884 -20.578 -31.457 538 1HE LYS 75 1HE LYS 75 8.403 -20.408 -33.950 539 2HE LYS 75 2HE LYS 75 10.145 -20.323 -34.230 540 1HZ LYS 75 1HZ LYS 75 9.377 -22.491 -32.522 541 2HZ LYS 75 2HZ LYS 75 8.703 -22.597 -34.018 542 3HZ LYS 75 3HZ LYS 75 10.339 -22.502 -33.859 543 H THR 76 H THR 76 9.552 -17.162 -28.488 544 HA THR 76 HA THR 76 7.341 -16.133 -26.819 545 HB THR 76 HB THR 76 7.920 -18.777 -26.938 546 HG1 THR 76 HG1 THR 76 6.336 -17.551 -25.658 547 1HG2 THR 76 1HG2 THR 76 9.537 -19.520 -25.429 548 2HG2 THR 76 2HG2 THR 76 10.311 -17.995 -25.888 549 3HG2 THR 76 3HG2 THR 76 9.336 -18.091 -24.405 550 H ASP 77 H ASP 77 9.602 -14.704 -27.972 551 HA ASP 77 HA ASP 77 11.827 -14.370 -26.639 552 1HB ASP 77 1HB ASP 77 10.707 -12.819 -28.370 553 2HB ASP 77 2HB ASP 77 9.947 -11.999 -27.015 554 H HIS 78 H HIS 78 12.078 -14.810 -24.463 555 HA HIS 78 HA HIS 78 10.154 -13.718 -22.578 556 1HB HIS 78 1HB HIS 78 11.573 -15.037 -20.919 557 2HB HIS 78 2HB HIS 78 10.609 -15.939 -22.069 558 HD1 HIS 78 HD1 HIS 78 14.121 -15.329 -20.986 559 HD2 HIS 78 HD2 HIS 78 12.112 -17.127 -24.219 560 HE1 HIS 78 HE1 HIS 78 15.846 -16.803 -22.184 561 HE2 HIS 78 HE2 HIS 78 14.586 -17.910 -24.142 562 H TYR 79 H TYR 79 12.136 -12.086 -24.188 563 HA TYR 79 HA TYR 79 14.148 -11.123 -22.487 564 1HB TYR 79 1HB TYR 79 14.190 -9.324 -24.167 565 2HB TYR 79 2HB TYR 79 13.992 -10.805 -24.967 566 HD1 TYR 79 HD1 TYR 79 13.272 -8.475 -26.484 567 HD2 TYR 79 HD2 TYR 79 10.780 -10.571 -23.710 568 HE1 TYR 79 HE1 TYR 79 11.208 -7.585 -27.521 569 HE2 TYR 79 HE2 TYR 79 8.813 -9.715 -24.749 570 HH TYR 79 HH TYR 79 8.001 -8.381 -26.252 571 H LEU 80 H LEU 80 14.141 -8.603 -22.047 572 HA LEU 80 HA LEU 80 11.812 -8.200 -20.276 573 1HB LEU 80 1HB LEU 80 14.658 -7.263 -20.309 574 2HB LEU 80 2HB LEU 80 13.446 -6.276 -19.524 575 HG LEU 80 HG LEU 80 13.240 -9.083 -18.709 576 1HD1 LEU 80 1HD1 LEU 80 15.290 -9.529 -17.893 577 2HD1 LEU 80 2HD1 LEU 80 15.852 -8.425 -19.119 578 3HD1 LEU 80 3HD1 LEU 80 15.647 -7.846 -17.466 579 1HD2 LEU 80 1HD2 LEU 80 12.369 -8.066 -16.933 580 2HD2 LEU 80 2HD2 LEU 80 13.857 -7.240 -16.588 581 3HD2 LEU 80 3HD2 LEU 80 12.646 -6.544 -17.696 582 H LEU 81 H LEU 81 10.804 -6.082 -20.162 583 HA LEU 81 HA LEU 81 11.215 -4.411 -22.530 584 1HB LEU 81 1HB LEU 81 8.520 -5.545 -21.766 585 2HB LEU 81 2HB LEU 81 8.813 -4.351 -22.990 586 HG LEU 81 HG LEU 81 10.484 -6.441 -23.773 587 1HD1 LEU 81 1HD1 LEU 81 8.145 -8.063 -23.606 588 2HD1 LEU 81 2HD1 LEU 81 9.772 -8.368 -22.957 589 3HD1 LEU 81 3HD1 LEU 81 8.591 -7.578 -21.974 590 1HD2 LEU 81 1HD2 LEU 81 7.816 -6.488 -24.943 591 2HD2 LEU 81 2HD2 LEU 81 8.616 -4.910 -24.928 592 3HD2 LEU 81 3HD2 LEU 81 9.419 -6.236 -25.648 593 H GLU 82 H GLU 82 11.682 -2.509 -21.672 594 HA GLU 82 HA GLU 82 10.635 -1.803 -19.078 595 1HB GLU 82 1HB GLU 82 12.155 0.054 -19.157 596 2HB GLU 82 2HB GLU 82 13.023 -1.337 -19.824 597 1HG GLU 82 1HG GLU 82 11.610 0.465 -21.721 598 2HG GLU 82 2HG GLU 82 13.044 1.049 -20.998 599 H PHE 83 H PHE 83 9.325 0.031 -18.625 600 HA PHE 83 HA PHE 83 8.083 1.278 -20.965 601 1HB PHE 83 1HB PHE 83 6.811 -0.734 -19.882 602 2HB PHE 83 2HB PHE 83 6.555 0.350 -18.547 603 HD1 PHE 83 HD1 PHE 83 4.537 1.375 -18.434 604 HD2 PHE 83 HD2 PHE 83 6.202 0.546 -22.210 605 HE1 PHE 83 HE1 PHE 83 2.506 2.373 -19.598 606 HE2 PHE 83 HE2 PHE 83 4.167 1.490 -23.342 607 HZ PHE 83 HZ PHE 83 2.357 2.354 -21.977 608 HA PRO 84 HA PRO 84 8.686 4.836 -18.455 609 1HB PRO 84 1HB PRO 84 7.282 6.662 -19.982 610 2HB PRO 84 2HB PRO 84 8.945 6.153 -20.319 611 1HG PRO 84 1HG PRO 84 6.445 5.405 -21.722 612 2HG PRO 84 2HG PRO 84 8.120 5.301 -22.288 613 1HD PRO 84 1HD PRO 84 6.465 3.167 -21.332 614 2HD PRO 84 2HD PRO 84 8.168 3.083 -21.757 615 H THR 85 H THR 85 7.676 4.213 -16.577 616 HA THR 85 HA THR 85 4.800 4.754 -16.450 617 HB THR 85 HB THR 85 5.538 2.575 -15.624 618 HG1 THR 85 HG1 THR 85 3.975 4.071 -14.462 619 1HG2 THR 85 1HG2 THR 85 7.502 2.314 -14.499 620 2HG2 THR 85 2HG2 THR 85 7.796 4.040 -14.594 621 3HG2 THR 85 3HG2 THR 85 6.905 3.387 -13.218 622 H PHE 86 H PHE 86 4.214 6.760 -16.063 623 HA PHE 86 HA PHE 86 5.984 8.496 -14.595 624 1HB PHE 86 1HB PHE 86 3.161 8.793 -15.745 625 2HB PHE 86 2HB PHE 86 4.088 10.124 -15.099 626 HD1 PHE 86 HD1 PHE 86 3.199 8.490 -18.031 627 HD2 PHE 86 HD2 PHE 86 6.541 10.374 -16.157 628 HE1 PHE 86 HE1 PHE 86 4.277 8.912 -20.275 629 HE2 PHE 86 HE2 PHE 86 7.577 10.764 -18.408 630 HZ PHE 86 HZ PHE 86 6.385 10.028 -20.429 631 HA PRO 87 HA PRO 87 4.001 8.138 -10.721 632 1HB PRO 87 1HB PRO 87 4.319 10.707 -9.692 633 2HB PRO 87 2HB PRO 87 5.555 9.486 -9.721 634 1HG PRO 87 1HG PRO 87 5.308 11.887 -11.414 635 2HG PRO 87 2HG PRO 87 6.751 10.899 -11.101 636 1HD PRO 87 1HD PRO 87 5.111 10.883 -13.447 637 2HD PRO 87 2HD PRO 87 6.471 9.819 -13.093 638 H ASP 88 H ASP 88 3.068 11.106 -12.486 639 HA ASP 88 HA ASP 88 0.846 11.867 -11.253 640 1HB ASP 88 1HB ASP 88 0.650 11.296 -14.197 641 2HB ASP 88 2HB ASP 88 0.014 12.673 -13.324 642 H GLY 89 H GLY 89 1.313 8.842 -13.043 643 1HA GLY 89 1HA GLY 89 0.135 6.888 -12.842 644 2HA GLY 89 2HA GLY 89 -1.114 7.736 -11.918 645 H HIS 90 H HIS 90 -0.234 9.411 -14.750 646 HA HIS 90 HA HIS 90 -2.796 8.747 -15.924 647 1HB HIS 90 1HB HIS 90 -2.411 10.586 -17.395 648 2HB HIS 90 2HB HIS 90 -1.951 11.077 -15.776 649 HD1 HIS 90 HD1 HIS 90 0.168 12.419 -15.738 650 HD2 HIS 90 HD2 HIS 90 0.113 9.592 -18.856 651 HE1 HIS 90 HE1 HIS 90 2.374 12.696 -17.001 652 HE2 HIS 90 HE2 HIS 90 2.341 10.909 -18.875 653 H ASP 91 H ASP 91 -3.148 7.365 -17.578 654 HA ASP 91 HA ASP 91 -1.163 5.575 -18.350 655 1HB ASP 91 1HB ASP 91 -3.789 5.442 -18.496 656 2HB ASP 91 2HB ASP 91 -3.610 6.239 -20.043 657 H TYR 92 H TYR 92 0.662 6.799 -19.112 658 HA TYR 92 HA TYR 92 0.892 8.857 -20.769 659 1HB TYR 92 1HB TYR 92 2.786 7.565 -19.916 660 2HB TYR 92 2HB TYR 92 2.292 6.147 -20.742 661 HD1 TYR 92 HD1 TYR 92 4.060 5.609 -22.178 662 HD2 TYR 92 HD2 TYR 92 2.624 9.644 -22.067 663 HE1 TYR 92 HE1 TYR 92 5.530 6.206 -24.157 664 HE2 TYR 92 HE2 TYR 92 4.103 10.209 -24.030 665 HH TYR 92 HH TYR 92 6.416 9.126 -24.900 666 H LYS 93 H LYS 93 0.936 9.300 -23.012 667 HA LYS 93 HA LYS 93 -0.926 7.700 -24.525 668 1HB LYS 93 1HB LYS 93 -0.468 9.524 -26.262 669 2HB LYS 93 2HB LYS 93 -1.284 9.991 -24.775 670 1HG LYS 93 1HG LYS 93 0.646 11.051 -23.882 671 2HG LYS 93 2HG LYS 93 1.742 10.185 -24.955 672 1HD LYS 93 1HD LYS 93 1.458 12.566 -25.624 673 2HD LYS 93 2HD LYS 93 0.948 11.441 -26.886 674 1HE LYS 93 1HE LYS 93 -1.420 11.704 -26.170 675 2HE LYS 93 2HE LYS 93 -0.918 12.844 -24.920 676 1HZ LYS 93 1HZ LYS 93 -1.655 13.648 -27.276 677 2HZ LYS 93 2HZ LYS 93 -0.454 14.431 -26.460 678 3HZ LYS 93 3HZ LYS 93 -0.078 13.358 -27.660 679 H PHE 94 H PHE 94 0.796 5.882 -24.125 680 HA PHE 94 HA PHE 94 3.024 5.962 -25.967 681 1HB PHE 94 1HB PHE 94 3.218 3.547 -25.101 682 2HB PHE 94 2HB PHE 94 3.298 4.765 -23.886 683 HD1 PHE 94 HD1 PHE 94 1.220 2.117 -25.301 684 HD2 PHE 94 HD2 PHE 94 1.555 5.030 -22.241 685 HE1 PHE 94 HE1 PHE 94 -0.676 1.039 -24.057 686 HE2 PHE 94 HE2 PHE 94 -0.334 4.002 -21.014 687 HZ PHE 94 HZ PHE 94 -1.448 1.991 -21.909 688 H ASP 95 H ASP 95 -0.299 5.416 -26.264 689 HA ASP 95 HA ASP 95 -0.021 3.330 -28.278 690 1HB ASP 95 1HB ASP 95 -1.901 3.289 -26.622 691 2HB ASP 95 2HB ASP 95 -2.467 4.842 -27.240 692 H SER 96 H SER 96 -0.693 6.811 -27.861 693 HA SER 96 HA SER 96 -1.478 7.178 -30.588 694 1HB SER 96 1HB SER 96 -0.719 9.212 -28.450 695 2HB SER 96 2HB SER 96 -1.439 9.600 -30.010 696 HG SER 96 HG SER 96 -3.348 9.082 -29.215 697 H LYS 97 H LYS 97 -0.009 6.988 -32.184 698 HA LYS 97 HA LYS 97 2.773 7.151 -31.799 699 1HB LYS 97 1HB LYS 97 2.949 6.685 -34.052 700 2HB LYS 97 2HB LYS 97 1.326 6.098 -33.719 701 1HG LYS 97 1HG LYS 97 0.364 8.238 -34.551 702 2HG LYS 97 2HG LYS 97 1.993 8.849 -34.854 703 1HD LYS 97 1HD LYS 97 1.451 8.146 -36.950 704 2HD LYS 97 2HD LYS 97 2.325 6.750 -36.328 705 1HE LYS 97 1HE LYS 97 -0.659 6.861 -35.845 706 2HE LYS 97 2HE LYS 97 -0.116 6.552 -37.494 707 1HZ LYS 97 1HZ LYS 97 1.366 4.804 -36.433 708 2HZ LYS 97 2HZ LYS 97 0.434 4.951 -35.088 709 3HZ LYS 97 3HZ LYS 97 -0.246 4.468 -36.505 710 H LYS 98 H LYS 98 0.468 9.565 -33.113 711 HA LYS 98 HA LYS 98 2.267 11.573 -32.194 712 1HB LYS 98 1HB LYS 98 2.715 10.921 -34.672 713 2HB LYS 98 2HB LYS 98 1.317 11.943 -34.996 714 1HG LYS 98 1HG LYS 98 3.581 12.930 -33.208 715 2HG LYS 98 2HG LYS 98 3.769 12.976 -34.943 716 1HD LYS 98 1HD LYS 98 1.349 14.215 -33.562 717 2HD LYS 98 2HD LYS 98 2.822 15.101 -33.853 718 1HE LYS 98 1HE LYS 98 2.188 13.830 -36.321 719 2HE LYS 98 2HE LYS 98 0.636 14.373 -35.682 720 1HZ LYS 98 1HZ LYS 98 1.249 16.341 -36.511 721 2HZ LYS 98 2HZ LYS 98 2.263 16.478 -35.222 722 3HZ LYS 98 3HZ LYS 98 2.838 15.925 -36.659 723 HA PRO 99 HA PRO 99 2.286 13.473 -31.752 724 1HB PRO 99 1HB PRO 99 1.753 14.899 -29.497 725 2HB PRO 99 2HB PRO 99 1.724 15.561 -31.143 726 1HG PRO 99 1HG PRO 99 -0.549 14.887 -29.361 727 2HG PRO 99 2HG PRO 99 -0.519 15.951 -30.778 728 1HD PRO 99 1HD PRO 99 -1.549 13.267 -30.638 729 2HD PRO 99 2HD PRO 99 -1.414 14.283 -32.081 730 H LYS 100 H LYS 100 3.608 13.467 -29.562 731 HA LYS 100 HA LYS 100 2.719 11.292 -27.855 732 1HB LYS 100 1HB LYS 100 4.178 9.697 -28.447 733 2HB LYS 100 2HB LYS 100 4.066 10.483 -30.007 734 1HG LYS 100 1HG LYS 100 6.084 11.820 -29.542 735 2HG LYS 100 2HG LYS 100 6.185 11.129 -27.928 736 1HD LYS 100 1HD LYS 100 6.021 8.997 -29.906 737 2HD LYS 100 2HD LYS 100 7.341 10.099 -30.293 738 1HE LYS 100 1HE LYS 100 6.880 8.789 -27.568 739 2HE LYS 100 2HE LYS 100 8.058 8.245 -28.773 740 1HZ LYS 100 1HZ LYS 100 8.331 11.007 -28.236 741 2HZ LYS 100 2HZ LYS 100 8.421 10.160 -26.840 742 3HZ LYS 100 3HZ LYS 100 9.456 9.813 -28.100 743 H GLU 101 H GLU 101 3.469 11.517 -25.792 744 HA GLU 101 HA GLU 101 4.886 13.984 -25.285 745 1HB GLU 101 1HB GLU 101 2.890 12.721 -23.934 746 2HB GLU 101 2HB GLU 101 4.260 12.053 -23.072 747 1HG GLU 101 1HG GLU 101 4.621 14.937 -23.476 748 2HG GLU 101 2HG GLU 101 3.069 14.607 -22.725 749 H ASN 102 H ASN 102 6.576 13.734 -23.300 750 HA ASN 102 HA ASN 102 8.797 12.508 -24.440 751 1HB ASN 102 1HB ASN 102 8.168 14.113 -22.048 752 2HB ASN 102 2HB ASN 102 9.321 12.860 -21.671 753 1HD2 ASN 102 1HD2 ASN 102 11.345 13.362 -21.931 754 2HD2 ASN 102 2HD2 ASN 102 12.008 14.537 -23.046 755 HA PRO 103 HA PRO 103 8.542 8.496 -22.659 756 1HB PRO 103 1HB PRO 103 11.224 7.863 -22.259 757 2HB PRO 103 2HB PRO 103 10.403 7.811 -23.810 758 1HG PRO 103 1HG PRO 103 12.351 9.804 -22.805 759 2HG PRO 103 2HG PRO 103 11.886 9.438 -24.480 760 1HD PRO 103 1HD PRO 103 11.020 11.639 -22.878 761 2HD PRO 103 2HD PRO 103 10.466 11.233 -24.501 762 H GLY 104 H GLY 104 11.465 9.216 -20.845 763 1HA GLY 104 1HA GLY 104 10.727 10.239 -18.539 764 2HA GLY 104 2HA GLY 104 10.000 8.644 -18.376 765 HA PRO 105 HA PRO 105 14.666 8.526 -17.623 766 1HB PRO 105 1HB PRO 105 14.885 9.272 -14.951 767 2HB PRO 105 2HB PRO 105 15.192 10.354 -16.323 768 1HG PRO 105 1HG PRO 105 12.868 10.294 -14.479 769 2HG PRO 105 2HG PRO 105 13.421 11.605 -15.542 770 1HD PRO 105 1HD PRO 105 11.219 9.813 -15.989 771 2HD PRO 105 2HD PRO 105 11.847 11.044 -17.091 772 H ALA 106 H ALA 106 11.969 7.771 -15.452 773 HA ALA 106 HA ALA 106 13.346 5.273 -14.737 774 1HB ALA 106 1HB ALA 106 10.777 6.021 -13.484 775 2HB ALA 106 2HB ALA 106 12.261 5.388 -12.758 776 3HB ALA 106 3HB ALA 106 12.215 7.056 -13.163 777 H ARG 107 H ARG 107 12.318 3.266 -15.042 778 HA ARG 107 HA ARG 107 9.806 3.268 -16.465 779 1HB ARG 107 1HB ARG 107 12.416 2.186 -17.644 780 2HB ARG 107 2HB ARG 107 10.839 1.650 -18.192 781 1HG ARG 107 1HG ARG 107 10.546 4.391 -18.296 782 2HG ARG 107 2HG ARG 107 12.229 4.231 -18.654 783 1HD ARG 107 1HD ARG 107 10.627 2.266 -20.132 784 2HD ARG 107 2HD ARG 107 10.022 3.882 -20.395 785 HE ARG 107 HE ARG 107 12.423 2.834 -21.448 786 1HH1 ARG 107 2HH2 ARG 107 11.175 5.770 -20.042 787 2HH1 ARG 107 1HH2 ARG 107 12.269 6.792 -20.843 788 1HH2 ARG 107 2HH1 ARG 107 13.880 4.206 -22.566 789 2HH2 ARG 107 1HH1 ARG 107 13.800 5.910 -22.324 790 H VAL 108 H VAL 108 8.727 1.219 -16.406 791 HA VAL 108 HA VAL 108 9.599 -0.422 -14.172 792 HB VAL 108 HB VAL 108 7.306 0.212 -14.234 793 1HG1 VAL 108 1HG1 VAL 108 5.852 -0.710 -16.163 794 2HG1 VAL 108 2HG1 VAL 108 6.806 0.748 -16.448 795 3HG1 VAL 108 3HG1 VAL 108 7.348 -0.817 -17.055 796 1HG2 VAL 108 1HG2 VAL 108 6.325 -1.832 -13.799 797 2HG2 VAL 108 2HG2 VAL 108 7.170 -2.647 -15.130 798 3HG2 VAL 108 3HG2 VAL 108 8.053 -2.221 -13.650 799 H ILE 109 H ILE 109 10.892 -2.115 -14.385 800 HA ILE 109 HA ILE 109 11.166 -3.316 -17.045 801 HB ILE 109 HB ILE 109 12.886 -3.516 -14.565 802 1HG1 ILE 109 1HG1 ILE 109 13.275 -1.369 -15.325 803 2HG1 ILE 109 2HG1 ILE 109 14.496 -2.296 -16.212 804 1HG2 ILE 109 1HG2 ILE 109 13.326 -4.616 -17.347 805 2HG2 ILE 109 2HG2 ILE 109 14.522 -4.629 -16.038 806 3HG2 ILE 109 3HG2 ILE 109 13.025 -5.521 -15.825 807 1HD1 ILE 109 1HD1 ILE 109 12.765 -2.450 -18.082 808 2HD1 ILE 109 2HD1 ILE 109 11.899 -1.164 -17.228 809 3HD1 ILE 109 3HD1 ILE 109 13.533 -0.865 -17.795 810 H TYR 110 H TYR 110 10.776 -5.440 -17.491 811 HA TYR 110 HA TYR 110 10.153 -7.312 -15.424 812 1HB TYR 110 1HB TYR 110 7.742 -7.461 -15.941 813 2HB TYR 110 2HB TYR 110 8.097 -5.806 -15.502 814 HD1 TYR 110 HD1 TYR 110 7.405 -4.055 -16.900 815 HD2 TYR 110 HD2 TYR 110 7.804 -7.976 -18.547 816 HE1 TYR 110 HE1 TYR 110 6.408 -3.273 -19.085 817 HE2 TYR 110 HE2 TYR 110 6.832 -7.200 -20.708 818 HH TYR 110 HH TYR 110 6.223 -3.821 -21.287 819 H THR 111 H THR 111 9.834 -9.441 -16.258 820 HA THR 111 HA THR 111 10.911 -9.745 -18.955 821 HB THR 111 HB THR 111 11.528 -11.871 -18.210 822 HG1 THR 111 HG1 THR 111 9.367 -12.568 -17.764 823 1HG2 THR 111 1HG2 THR 111 12.215 -10.026 -16.436 824 2HG2 THR 111 2HG2 THR 111 11.010 -10.800 -15.426 825 3HG2 THR 111 3HG2 THR 111 12.380 -11.704 -16.039 826 H TYR 112 H TYR 112 9.949 -11.340 -20.451 827 HA TYR 112 HA TYR 112 7.054 -11.115 -20.353 828 1HB TYR 112 1HB TYR 112 7.856 -9.894 -22.190 829 2HB TYR 112 2HB TYR 112 9.127 -11.061 -22.502 830 HD1 TYR 112 HD1 TYR 112 6.072 -9.868 -23.679 831 HD2 TYR 112 HD2 TYR 112 8.217 -13.522 -23.185 832 HE1 TYR 112 HE1 TYR 112 4.641 -10.980 -25.444 833 HE2 TYR 112 HE2 TYR 112 6.834 -14.616 -24.923 834 HH TYR 112 HH TYR 112 4.157 -13.909 -25.799 835 HA PRO 113 HA PRO 113 5.553 -11.827 -21.713 836 1HB PRO 113 1HB PRO 113 3.300 -13.299 -21.201 837 2HB PRO 113 2HB PRO 113 4.127 -13.255 -22.769 838 1HG PRO 113 1HG PRO 113 4.097 -15.417 -20.737 839 2HG PRO 113 2HG PRO 113 4.512 -15.508 -22.461 840 1HD PRO 113 1HD PRO 113 6.343 -15.474 -20.238 841 2HD PRO 113 2HD PRO 113 6.753 -15.444 -21.952 842 H ASN 114 H ASN 114 4.875 -14.007 -18.988 843 HA ASN 114 HA ASN 114 3.426 -12.406 -17.435 844 1HB ASN 114 1HB ASN 114 4.536 -14.752 -16.936 845 2HB ASN 114 2HB ASN 114 5.830 -13.816 -16.214 846 1HD2 ASN 114 1HD2 ASN 114 4.817 -15.335 -14.495 847 2HD2 ASN 114 2HD2 ASN 114 3.659 -14.576 -13.422 848 H LYS 115 H LYS 115 3.685 -10.263 -16.947 849 HA LYS 115 HA LYS 115 6.181 -8.946 -17.125 850 1HB LYS 115 1HB LYS 115 3.381 -8.253 -16.522 851 2HB LYS 115 2HB LYS 115 4.517 -7.233 -15.684 852 1HG LYS 115 1HG LYS 115 5.232 -6.214 -17.556 853 2HG LYS 115 2HG LYS 115 5.235 -7.707 -18.502 854 1HD LYS 115 1HD LYS 115 2.826 -5.992 -17.840 855 2HD LYS 115 2HD LYS 115 3.620 -6.088 -19.382 856 1HE LYS 115 1HE LYS 115 2.215 -7.823 -19.894 857 2HE LYS 115 2HE LYS 115 3.124 -8.792 -18.745 858 1HZ LYS 115 1HZ LYS 115 1.247 -7.088 -17.470 859 2HZ LYS 115 2HZ LYS 115 0.503 -8.090 -18.548 860 3HZ LYS 115 3HZ LYS 115 1.433 -8.722 -17.332 861 H VAL 116 H VAL 116 7.365 -10.520 -15.776 862 HA VAL 116 HA VAL 116 6.914 -10.619 -12.976 863 HB VAL 116 HB VAL 116 9.164 -11.406 -14.805 864 1HG1 VAL 116 1HG1 VAL 116 10.576 -11.089 -13.062 865 2HG1 VAL 116 2HG1 VAL 116 9.267 -11.055 -11.863 866 3HG1 VAL 116 3HG1 VAL 116 9.902 -12.597 -12.462 867 1HG2 VAL 116 1HG2 VAL 116 7.676 -13.096 -14.993 868 2HG2 VAL 116 2HG2 VAL 116 8.448 -13.656 -13.510 869 3HG2 VAL 116 3HG2 VAL 116 6.918 -12.764 -13.418 870 H PHE 117 H PHE 117 6.579 -8.185 -12.881 871 HA PHE 117 HA PHE 117 8.272 -6.198 -13.237 872 1HB PHE 117 1HB PHE 117 6.079 -6.081 -12.045 873 2HB PHE 117 2HB PHE 117 6.770 -6.933 -10.671 874 HD1 PHE 117 HD1 PHE 117 6.117 -3.744 -12.093 875 HD2 PHE 117 HD2 PHE 117 8.756 -5.779 -9.421 876 HE1 PHE 117 HE1 PHE 117 6.788 -1.580 -11.056 877 HE2 PHE 117 HE2 PHE 117 9.421 -3.643 -8.454 878 HZ PHE 117 HZ PHE 117 8.437 -1.528 -9.223 879 H CYS 118 H CYS 118 10.436 -6.059 -13.018 880 HA CYS 118 HA CYS 118 11.691 -7.494 -10.791 881 1HB CYS 118 1HB CYS 118 12.426 -6.959 -13.507 882 2HB CYS 118 2HB CYS 118 13.573 -6.163 -12.468 883 H GLY 119 H GLY 119 10.847 -4.299 -12.008 884 1HA GLY 119 1HA GLY 119 10.742 -2.742 -9.960 885 2HA GLY 119 2HA GLY 119 12.471 -2.991 -9.919 886 H ILE 120 H ILE 120 12.435 -0.577 -10.182 887 HA ILE 120 HA ILE 120 12.073 0.125 -13.019 888 HB ILE 120 HB ILE 120 11.778 1.780 -10.515 889 1HG1 ILE 120 1HG1 ILE 120 9.520 2.255 -11.695 890 2HG1 ILE 120 2HG1 ILE 120 9.887 0.846 -12.669 891 1HG2 ILE 120 1HG2 ILE 120 11.422 2.941 -13.261 892 2HG2 ILE 120 2HG2 ILE 120 11.731 3.733 -11.701 893 3HG2 ILE 120 3HG2 ILE 120 13.013 2.923 -12.537 894 1HD1 ILE 120 1HD1 ILE 120 8.499 0.465 -10.520 895 2HD1 ILE 120 2HD1 ILE 120 9.848 -0.606 -10.776 896 3HD1 ILE 120 3HD1 ILE 120 10.019 0.735 -9.639 897 H ILE 121 H ILE 121 13.718 1.244 -14.081 898 HA ILE 121 HA ILE 121 16.268 1.247 -12.616 899 HB ILE 121 HB ILE 121 17.406 0.600 -14.558 900 1HG1 ILE 121 1HG1 ILE 121 14.824 1.097 -16.091 901 2HG1 ILE 121 2HG1 ILE 121 16.312 2.020 -16.189 902 1HG2 ILE 121 1HG2 ILE 121 14.885 -1.007 -14.135 903 2HG2 ILE 121 2HG2 ILE 121 16.126 -1.513 -15.259 904 3HG2 ILE 121 3HG2 ILE 121 16.513 -1.320 -13.572 905 1HD1 ILE 121 1HD1 ILE 121 16.517 0.626 -18.033 906 2HD1 ILE 121 2HD1 ILE 121 17.382 -0.303 -16.781 907 3HD1 ILE 121 3HD1 ILE 121 15.722 -0.706 -17.230 908 H ALA 122 H ALA 122 17.813 2.912 -13.266 909 HA ALA 122 HA ALA 122 17.125 5.063 -14.931 910 1HB ALA 122 1HB ALA 122 15.451 5.257 -12.879 911 2HB ALA 122 2HB ALA 122 16.877 5.915 -12.074 912 3HB ALA 122 3HB ALA 122 16.218 6.684 -13.535 913 H HIS 123 H HIS 123 18.843 6.567 -15.059 914 HA HIS 123 HA HIS 123 21.267 5.602 -13.784 915 1HB HIS 123 1HB HIS 123 21.282 7.877 -15.744 916 2HB HIS 123 2HB HIS 123 22.435 6.609 -15.517 917 HD1 HIS 123 HD1 HIS 123 22.392 4.739 -17.206 918 HD2 HIS 123 HD2 HIS 123 18.757 6.888 -16.993 919 HE1 HIS 123 HE1 HIS 123 20.881 3.820 -19.081 920 HE2 HIS 123 HE2 HIS 123 18.640 5.119 -18.879 921 H THR 124 H THR 124 21.209 6.278 -11.679 922 HA THR 124 HA THR 124 20.814 9.171 -11.223 923 HB THR 124 HB THR 124 19.499 7.302 -9.984 924 HG1 THR 124 HG1 THR 124 19.784 9.593 -9.376 925 1HG2 THR 124 1HG2 THR 124 21.497 7.251 -7.859 926 2HG2 THR 124 2HG2 THR 124 20.600 5.884 -8.570 927 3HG2 THR 124 3HG2 THR 124 22.110 6.440 -9.285 928 H LYS 125 H LYS 125 23.098 8.761 -12.544 929 HA LYS 125 HA LYS 125 25.181 8.842 -10.420 930 1HB LYS 125 1HB LYS 125 25.548 7.003 -11.933 931 2HB LYS 125 2HB LYS 125 25.370 8.044 -13.349 932 1HG LYS 125 1HG LYS 125 27.400 9.217 -12.893 933 2HG LYS 125 2HG LYS 125 27.483 8.625 -11.235 934 1HD LYS 125 1HD LYS 125 28.584 6.756 -11.845 935 2HD LYS 125 2HD LYS 125 27.414 6.369 -13.102 936 1HE LYS 125 1HE LYS 125 28.610 7.434 -14.778 937 2HE LYS 125 2HE LYS 125 29.270 8.654 -13.685 938 1HZ LYS 125 1HZ LYS 125 30.557 6.708 -12.702 939 2HZ LYS 125 2HZ LYS 125 30.165 5.873 -14.072 940 3HZ LYS 125 3HZ LYS 125 31.049 7.271 -14.167 941 H GLU 126 H GLU 126 23.505 10.568 -12.967 942 HA GLU 126 HA GLU 126 24.480 12.993 -12.061 943 1HB GLU 126 1HB GLU 126 26.276 11.709 -13.893 944 2HB GLU 126 2HB GLU 126 25.491 12.977 -14.806 945 1HG GLU 126 1HG GLU 126 26.978 13.305 -12.167 946 2HG GLU 126 2HG GLU 126 27.503 13.866 -13.748 947 H ASN 127 H ASN 127 23.709 11.623 -15.308 948 HA ASN 127 HA ASN 127 21.096 12.809 -15.193 949 1HB ASN 127 1HB ASN 127 23.339 14.074 -16.656 950 2HB ASN 127 2HB ASN 127 22.020 13.656 -17.741 951 1HD2 ASN 127 1HD2 ASN 127 22.591 16.209 -17.487 952 2HD2 ASN 127 2HD2 ASN 127 21.380 17.059 -16.552 953 H GLN 128 H GLN 128 23.647 11.264 -17.185 954 HA GLN 128 HA GLN 128 21.880 9.124 -17.811 955 1HB GLN 128 1HB GLN 128 22.191 11.343 -19.705 956 2HB GLN 128 2HB GLN 128 22.783 9.854 -20.412 957 1HG GLN 128 1HG GLN 128 20.440 8.978 -19.228 958 2HG GLN 128 2HG GLN 128 20.015 10.611 -19.709 959 1HE2 GLN 128 1HE2 GLN 128 19.278 7.888 -20.674 960 2HE2 GLN 128 2HE2 GLN 128 19.578 7.908 -22.410 961 H GLY 129 H GLY 129 23.621 8.168 -16.535 962 1HA GLY 129 1HA GLY 129 26.056 7.666 -18.183 963 2HA GLY 129 2HA GLY 129 26.069 7.813 -16.428 964 H GLU 130 H GLU 130 25.692 6.010 -15.180 965 HA GLU 130 HA GLU 130 25.290 3.538 -16.657 966 1HB GLU 130 1HB GLU 130 26.630 4.354 -14.185 967 2HB GLU 130 2HB GLU 130 25.575 2.986 -13.885 968 1HG GLU 130 1HG GLU 130 26.834 1.542 -15.131 969 2HG GLU 130 2HG GLU 130 27.143 2.718 -16.400 970 H LEU 131 H LEU 131 23.646 2.012 -16.199 971 HA LEU 131 HA LEU 131 21.284 3.272 -14.996 972 1HB LEU 131 1HB LEU 131 21.352 2.359 -17.398 973 2HB LEU 131 2HB LEU 131 21.358 0.762 -16.686 974 HG LEU 131 HG LEU 131 19.179 1.020 -15.799 975 1HD1 LEU 131 1HD1 LEU 131 19.170 3.032 -14.753 976 2HD1 LEU 131 2HD1 LEU 131 19.559 3.938 -16.172 977 3HD1 LEU 131 3HD1 LEU 131 17.960 3.260 -16.023 978 1HD2 LEU 131 1HD2 LEU 131 19.538 2.023 -18.605 979 2HD2 LEU 131 2HD2 LEU 131 18.798 0.554 -18.016 980 3HD2 LEU 131 3HD2 LEU 131 17.936 2.107 -17.882 981 H LYS 132 H LYS 132 20.246 2.421 -13.239 982 HA LYS 132 HA LYS 132 21.213 -0.140 -12.184 983 1HB LYS 132 1HB LYS 132 21.287 1.001 -9.896 984 2HB LYS 132 2HB LYS 132 22.638 1.230 -10.985 985 1HG LYS 132 1HG LYS 132 21.487 3.425 -11.749 986 2HG LYS 132 2HG LYS 132 20.378 3.200 -10.403 987 1HD LYS 132 1HD LYS 132 23.405 3.169 -10.037 988 2HD LYS 132 2HD LYS 132 22.528 4.669 -10.128 989 1HE LYS 132 1HE LYS 132 21.901 4.481 -7.947 990 2HE LYS 132 2HE LYS 132 21.066 2.972 -8.319 991 1HZ LYS 132 1HZ LYS 132 23.566 2.129 -8.266 992 2HZ LYS 132 2HZ LYS 132 23.713 3.387 -7.215 993 3HZ LYS 132 3HZ LYS 132 22.625 2.184 -6.916 994 H LEU 133 H LEU 133 19.804 -0.743 -10.211 995 HA LEU 133 HA LEU 133 17.039 -0.366 -11.113 996 1HB LEU 133 1HB LEU 133 18.235 -2.614 -10.536 997 2HB LEU 133 2HB LEU 133 17.954 -2.185 -8.883 998 HG LEU 133 HG LEU 133 15.470 -1.932 -9.533 999 1HD1 LEU 133 1HD1 LEU 133 14.982 -3.539 -11.538 1000 2HD1 LEU 133 2HD1 LEU 133 15.318 -1.850 -11.819 1001 3HD1 LEU 133 3HD1 LEU 133 16.598 -3.037 -12.054 1002 1HD2 LEU 133 1HD2 LEU 133 16.733 -4.686 -9.711 1003 2HD2 LEU 133 2HD2 LEU 133 16.392 -3.800 -8.216 1004 3HD2 LEU 133 3HD2 LEU 133 15.052 -4.305 -9.253 1005 H CYS 134 H CYS 134 15.508 0.693 -9.924 1006 HA CYS 134 HA CYS 134 16.247 2.678 -8.165 1007 1HB CYS 134 1HB CYS 134 13.506 1.435 -8.513 1008 2HB CYS 134 2HB CYS 134 13.851 2.958 -7.768 1009 H SER 135 H SER 135 14.700 2.675 -5.956 1010 HA SER 135 HA SER 135 14.820 0.137 -4.596 1011 1HB SER 135 1HB SER 135 16.630 2.341 -3.518 1012 2HB SER 135 2HB SER 135 16.471 0.683 -2.930 1013 HG SER 135 HG SER 135 18.371 1.243 -4.350 1014 H HIS 136 H HIS 136 12.578 0.647 -4.335 1015 HA HIS 136 HA HIS 136 11.396 2.920 -3.491 1016 1HB HIS 136 1HB HIS 136 9.950 1.243 -2.100 1017 2HB HIS 136 2HB HIS 136 9.838 1.266 -3.825 1018 HD1 HIS 136 HD1 HIS 136 12.897 -0.301 -2.414 1019 HD2 HIS 136 HD2 HIS 136 9.106 -1.500 -3.685 1020 HE1 HIS 136 HE1 HIS 136 12.996 -2.869 -2.723 1021 HE2 HIS 136 HE2 HIS 136 10.596 -3.555 -3.451 Start of MODEL 7 1 1H ALA 1 H1 ALA 1 0.550 -0.665 -0.074 2 2H ALA 1 H2 ALA 1 0.949 0.922 0.239 3 3H ALA 1 H3 ALA 1 1.895 -0.293 0.797 4 HA ALA 1 HA ALA 1 2.120 1.037 -1.642 5 1HB ALA 1 1HB ALA 1 3.539 -1.434 -0.532 6 2HB ALA 1 2HB ALA 1 4.088 -0.474 -1.924 7 3HB ALA 1 3HB ALA 1 4.025 0.264 -0.306 8 H VAL 2 H VAL 2 1.259 0.654 -3.582 9 HA VAL 2 HA VAL 2 -0.032 -2.002 -4.043 10 HB VAL 2 HB VAL 2 -1.400 0.131 -4.053 11 1HG1 VAL 2 1HG1 VAL 2 0.064 1.714 -5.120 12 2HG1 VAL 2 2HG1 VAL 2 0.193 0.694 -6.560 13 3HG1 VAL 2 3HG1 VAL 2 -1.374 1.437 -6.112 14 1HG2 VAL 2 1HG2 VAL 2 -2.476 -0.596 -6.312 15 2HG2 VAL 2 2HG2 VAL 2 -1.299 -1.941 -6.204 16 3HG2 VAL 2 3HG2 VAL 2 -2.491 -1.668 -4.928 17 H THR 3 H THR 3 0.654 -3.263 -5.677 18 HA THR 3 HA THR 3 3.229 -2.512 -6.992 19 HB THR 3 HB THR 3 1.661 -5.005 -6.446 20 HG1 THR 3 HG1 THR 3 3.876 -5.543 -6.080 21 1HG2 THR 3 1HG2 THR 3 2.880 -6.253 -7.908 22 2HG2 THR 3 2HG2 THR 3 2.093 -5.047 -8.908 23 3HG2 THR 3 3HG2 THR 3 3.829 -4.832 -8.543 24 H TRP 4 H TRP 4 3.322 -1.655 -8.996 25 HA TRP 4 HA TRP 4 0.813 -1.374 -10.540 26 1HB TRP 4 1HB TRP 4 3.612 -0.239 -10.848 27 2HB TRP 4 2HB TRP 4 2.233 0.049 -11.874 28 HD1 TRP 4 HD1 TRP 4 2.933 0.339 -8.093 29 HE1 TRP 4 HE1 TRP 4 1.873 2.547 -7.225 30 HE3 TRP 4 HE3 TRP 4 0.939 2.021 -12.429 31 HZ2 TRP 4 HZ2 TRP 4 0.331 4.724 -8.306 32 HZ3 TRP 4 HZ3 TRP 4 -0.227 4.173 -12.558 33 HH2 TRP 4 HH2 TRP 4 -0.527 5.595 -10.487 34 H THR 5 H THR 5 0.492 -2.419 -12.473 35 HA THR 5 HA THR 5 2.667 -4.260 -13.396 36 HB THR 5 HB THR 5 -0.107 -4.806 -12.550 37 HG1 THR 5 HG1 THR 5 0.989 -6.826 -12.535 38 1HG2 THR 5 1HG2 THR 5 1.005 -6.216 -15.027 39 2HG2 THR 5 2HG2 THR 5 -0.507 -6.583 -14.145 40 3HG2 THR 5 3HG2 THR 5 -0.399 -5.098 -15.063 41 H CYS 6 H CYS 6 3.319 -3.936 -15.297 42 HA CYS 6 HA CYS 6 1.521 -2.476 -17.262 43 1HB CYS 6 1HB CYS 6 4.507 -2.370 -17.381 44 2HB CYS 6 2HB CYS 6 3.294 -1.340 -18.114 45 H GLY 7 H GLY 7 1.107 -5.058 -17.124 46 1HA GLY 7 1HA GLY 7 0.966 -6.310 -19.367 47 2HA GLY 7 2HA GLY 7 2.744 -6.363 -19.283 48 H GLY 8 H GLY 8 3.729 -7.718 -17.901 49 1HA GLY 8 1HA GLY 8 2.072 -9.562 -16.191 50 2HA GLY 8 2HA GLY 8 3.263 -10.220 -17.324 51 H LEU 9 H LEU 9 4.289 -7.262 -15.985 52 HA LEU 9 HA LEU 9 6.031 -8.678 -14.031 53 1HB LEU 9 1HB LEU 9 6.974 -6.066 -15.037 54 2HB LEU 9 2HB LEU 9 7.801 -7.541 -14.674 55 HG LEU 9 HG LEU 9 6.593 -8.368 -16.962 56 1HD1 LEU 9 1HD1 LEU 9 5.736 -6.741 -18.331 57 2HD1 LEU 9 2HD1 LEU 9 5.732 -5.679 -16.908 58 3HD1 LEU 9 3HD1 LEU 9 7.080 -5.660 -18.032 59 1HD2 LEU 9 1HD2 LEU 9 9.124 -8.000 -16.340 60 2HD2 LEU 9 2HD2 LEU 9 8.563 -8.302 -17.977 61 3HD2 LEU 9 3HD2 LEU 9 8.971 -6.641 -17.466 62 H LEU 10 H LEU 10 6.233 -7.825 -12.083 63 HA LEU 10 HA LEU 10 4.196 -5.832 -11.303 64 1HB LEU 10 1HB LEU 10 5.704 -7.972 -9.742 65 2HB LEU 10 2HB LEU 10 4.661 -6.838 -9.007 66 HG LEU 10 HG LEU 10 3.591 -9.043 -9.316 67 1HD1 LEU 10 1HD1 LEU 10 1.755 -7.706 -9.174 68 2HD1 LEU 10 2HD1 LEU 10 2.381 -6.569 -10.392 69 3HD1 LEU 10 3HD1 LEU 10 1.557 -8.035 -10.884 70 1HD2 LEU 10 1HD2 LEU 10 3.002 -9.947 -11.452 71 2HD2 LEU 10 2HD2 LEU 10 3.473 -8.474 -12.291 72 3HD2 LEU 10 3HD2 LEU 10 4.725 -9.515 -11.535 73 H TYR 11 H TYR 11 4.828 -3.893 -10.928 74 HA TYR 11 HA TYR 11 7.705 -3.262 -10.335 75 1HB TYR 11 1HB TYR 11 5.492 -1.582 -11.543 76 2HB TYR 11 2HB TYR 11 7.162 -1.068 -11.272 77 HD1 TYR 11 HD1 TYR 11 4.886 -2.472 -13.618 78 HD2 TYR 11 HD2 TYR 11 9.023 -2.625 -12.377 79 HE1 TYR 11 HE1 TYR 11 5.536 -3.417 -15.836 80 HE2 TYR 11 HE2 TYR 11 9.665 -3.464 -14.587 81 HH TYR 11 HH TYR 11 8.970 -3.995 -16.620 82 H ASN 12 H ASN 12 7.826 -3.314 -8.174 83 HA ASN 12 HA ASN 12 5.750 -2.477 -6.363 84 1HB ASN 12 1HB ASN 12 7.837 -3.783 -5.679 85 2HB ASN 12 2HB ASN 12 8.764 -2.294 -5.962 86 1HD2 ASN 12 1HD2 ASN 12 5.613 -2.954 -4.381 87 2HD2 ASN 12 2HD2 ASN 12 6.098 -2.104 -2.904 88 H GLN 13 H GLN 13 4.784 -0.526 -6.434 89 HA GLN 13 HA GLN 13 5.759 1.708 -7.563 90 1HB GLN 13 1HB GLN 13 3.501 1.596 -6.514 91 2HB GLN 13 2HB GLN 13 4.208 1.625 -4.925 92 1HG GLN 13 1HG GLN 13 3.198 3.858 -5.863 93 2HG GLN 13 2HG GLN 13 4.802 3.941 -5.096 94 1HE2 GLN 13 1HE2 GLN 13 3.811 2.808 -8.424 95 2HE2 GLN 13 2HE2 GLN 13 4.954 3.970 -9.125 96 H ASN 14 H ASN 14 6.444 0.809 -4.233 97 HA ASN 14 HA ASN 14 7.919 3.095 -3.437 98 1HB ASN 14 1HB ASN 14 7.527 0.525 -2.415 99 2HB ASN 14 2HB ASN 14 9.239 0.491 -2.886 100 1HD2 ASN 14 1HD2 ASN 14 8.249 0.261 -0.287 101 2HD2 ASN 14 2HD2 ASN 14 8.917 1.703 0.547 102 H LYS 15 H LYS 15 8.984 0.439 -5.577 103 HA LYS 15 HA LYS 15 11.701 1.621 -5.995 104 1HB LYS 15 1HB LYS 15 10.208 -0.809 -6.883 105 2HB LYS 15 2HB LYS 15 11.380 -0.188 -8.013 106 1HG LYS 15 1HG LYS 15 13.151 -0.846 -6.761 107 2HG LYS 15 2HG LYS 15 12.458 -0.238 -5.261 108 1HD LYS 15 1HD LYS 15 10.852 -2.271 -5.380 109 2HD LYS 15 2HD LYS 15 12.035 -2.981 -6.481 110 1HE LYS 15 1HE LYS 15 13.605 -3.206 -4.751 111 2HE LYS 15 2HE LYS 15 13.075 -1.709 -3.971 112 1HZ LYS 15 1HZ LYS 15 12.274 -3.315 -2.538 113 2HZ LYS 15 2HZ LYS 15 10.952 -3.037 -3.463 114 3HZ LYS 15 3HZ LYS 15 11.870 -4.373 -3.737 115 H ALA 16 H ALA 16 8.526 1.717 -7.641 116 HA ALA 16 HA ALA 16 9.523 2.978 -10.042 117 1HB ALA 16 1HB ALA 16 7.261 3.755 -10.273 118 2HB ALA 16 2HB ALA 16 7.193 2.056 -9.604 119 3HB ALA 16 3HB ALA 16 6.986 3.495 -8.570 120 H GLU 17 H GLU 17 8.577 4.329 -6.834 121 HA GLU 17 HA GLU 17 9.419 7.055 -7.684 122 1HB GLU 17 1HB GLU 17 8.887 7.663 -5.343 123 2HB GLU 17 2HB GLU 17 7.511 7.099 -6.324 124 1HG GLU 17 1HG GLU 17 7.465 5.007 -5.264 125 2HG GLU 17 2HG GLU 17 9.041 5.246 -4.472 126 H SER 18 H SER 18 10.544 4.471 -5.525 127 HA SER 18 HA SER 18 12.787 5.925 -4.436 128 1HB SER 18 1HB SER 18 11.915 3.984 -3.228 129 2HB SER 18 2HB SER 18 12.494 2.932 -4.564 130 HG SER 18 HG SER 18 13.917 4.441 -2.717 131 H ASN 19 H ASN 19 12.727 3.151 -6.801 132 HA ASN 19 HA ASN 19 15.438 3.174 -7.650 133 1HB ASN 19 1HB ASN 19 13.500 1.563 -8.309 134 2HB ASN 19 2HB ASN 19 13.141 2.790 -9.550 135 1HD2 ASN 19 1HD2 ASN 19 15.265 3.547 -10.741 136 2HD2 ASN 19 2HD2 ASN 19 16.284 2.221 -11.223 137 H SER 20 H SER 20 12.756 5.333 -8.400 138 HA SER 20 HA SER 20 14.340 6.844 -10.379 139 1HB SER 20 1HB SER 20 12.431 7.803 -11.057 140 2HB SER 20 2HB SER 20 11.761 6.375 -10.233 141 HG SER 20 HG SER 20 11.532 7.776 -8.350 142 H HIS 21 H HIS 21 13.385 7.209 -7.049 143 HA HIS 21 HA HIS 21 13.870 9.947 -6.596 144 1HB HIS 21 1HB HIS 21 14.110 7.475 -4.862 145 2HB HIS 21 2HB HIS 21 14.883 8.881 -4.287 146 HD1 HIS 21 HD1 HIS 21 13.100 8.729 -2.261 147 HD2 HIS 21 HD2 HIS 21 11.553 9.487 -6.104 148 HE1 HIS 21 HE1 HIS 21 10.672 9.573 -1.915 149 HE2 HIS 21 HE2 HIS 21 9.716 9.959 -4.250 150 H HIS 22 H HIS 22 16.212 7.341 -7.128 151 HA HIS 22 HA HIS 22 18.496 8.947 -6.496 152 1HB HIS 22 1HB HIS 22 18.829 6.587 -8.252 153 2HB HIS 22 2HB HIS 22 19.647 7.045 -6.781 154 HD1 HIS 22 HD1 HIS 22 18.429 4.220 -7.716 155 HD2 HIS 22 HD2 HIS 22 16.909 6.827 -4.844 156 HE1 HIS 22 HE1 HIS 22 17.008 2.757 -6.196 157 HE2 HIS 22 HE2 HIS 22 15.959 4.369 -4.437 158 H ALA 23 H ALA 23 16.737 7.991 -9.435 159 HA ALA 23 HA ALA 23 18.259 8.753 -11.485 160 1HB ALA 23 1HB ALA 23 16.455 8.707 -12.666 161 2HB ALA 23 2HB ALA 23 15.627 8.164 -11.237 162 3HB ALA 23 3HB ALA 23 15.528 9.874 -11.685 163 HA PRO 24 HA PRO 24 19.153 13.009 -10.473 164 1HB PRO 24 1HB PRO 24 20.493 13.664 -12.848 165 2HB PRO 24 2HB PRO 24 21.205 12.842 -11.411 166 1HG PRO 24 1HG PRO 24 20.368 11.782 -14.011 167 2HG PRO 24 2HG PRO 24 21.582 11.082 -12.859 168 1HD PRO 24 1HD PRO 24 18.932 10.235 -13.334 169 2HD PRO 24 2HD PRO 24 20.011 9.701 -12.017 170 H LEU 25 H LEU 25 17.716 14.617 -10.575 171 HA LEU 25 HA LEU 25 15.614 14.737 -12.443 172 1HB LEU 25 1HB LEU 25 16.270 15.922 -9.941 173 2HB LEU 25 2HB LEU 25 16.238 17.264 -11.044 174 HG LEU 25 HG LEU 25 13.974 16.917 -11.632 175 1HD1 LEU 25 1HD1 LEU 25 14.326 14.195 -10.436 176 2HD1 LEU 25 2HD1 LEU 25 12.686 14.986 -10.608 177 3HD1 LEU 25 3HD1 LEU 25 13.659 14.755 -11.988 178 1HD2 LEU 25 1HD2 LEU 25 14.443 16.542 -8.662 179 2HD2 LEU 25 2HD2 LEU 25 14.196 18.067 -9.557 180 3HD2 LEU 25 3HD2 LEU 25 12.869 16.936 -9.403 181 H SER 26 H SER 26 16.194 14.818 -14.500 182 HA SER 26 HA SER 26 16.917 17.381 -15.628 183 1HB SER 26 1HB SER 26 18.970 15.230 -15.280 184 2HB SER 26 2HB SER 26 18.882 16.064 -16.853 185 HG SER 26 HG SER 26 20.300 17.041 -15.197 186 H ASP 27 H ASP 27 16.744 17.343 -17.960 187 HA ASP 27 HA ASP 27 14.990 15.181 -19.000 188 1HB ASP 27 1HB ASP 27 14.254 17.389 -19.571 189 2HB ASP 27 2HB ASP 27 15.908 17.837 -19.881 190 H GLY 28 H GLY 28 16.719 13.547 -18.787 191 1HA GLY 28 1HA GLY 28 18.087 12.074 -20.066 192 2HA GLY 28 2HA GLY 28 17.860 13.172 -21.451 193 H LYS 29 H LYS 29 19.638 12.598 -18.500 194 HA LYS 29 HA LYS 29 22.090 13.737 -19.676 195 1HB LYS 29 1HB LYS 29 20.528 15.165 -17.585 196 2HB LYS 29 2HB LYS 29 22.223 15.144 -17.294 197 1HG LYS 29 1HG LYS 29 21.799 15.785 -20.105 198 2HG LYS 29 2HG LYS 29 20.790 16.830 -19.115 199 1HD LYS 29 1HD LYS 29 22.582 17.917 -18.247 200 2HD LYS 29 2HD LYS 29 23.634 16.476 -18.186 201 1HE LYS 29 1HE LYS 29 24.347 16.602 -20.315 202 2HE LYS 29 2HE LYS 29 22.910 17.442 -20.909 203 1HZ LYS 29 1HZ LYS 29 23.617 19.448 -19.937 204 2HZ LYS 29 2HZ LYS 29 24.806 18.744 -19.060 205 3HZ LYS 29 3HZ LYS 29 24.955 18.869 -20.700 206 H THR 30 H THR 30 21.619 11.241 -19.208 207 HA THR 30 HA THR 30 23.464 10.602 -16.903 208 HB THR 30 HB THR 30 22.044 8.599 -16.538 209 HG1 THR 30 HG1 THR 30 21.281 8.848 -18.788 210 1HG2 THR 30 1HG2 THR 30 20.588 9.652 -15.197 211 2HG2 THR 30 2HG2 THR 30 21.523 11.097 -15.655 212 3HG2 THR 30 3HG2 THR 30 19.997 10.746 -16.485 213 H GLY 31 H GLY 31 24.651 8.695 -17.182 214 1HA GLY 31 1HA GLY 31 26.117 8.410 -19.475 215 2HA GLY 31 2HA GLY 31 25.807 7.063 -18.364 216 H SER 32 H SER 32 23.453 6.216 -18.625 217 HA SER 32 HA SER 32 23.339 5.081 -21.346 218 1HB SER 32 1HB SER 32 22.559 3.822 -19.351 219 2HB SER 32 2HB SER 32 21.209 4.970 -19.201 220 HG SER 32 HG SER 32 21.035 4.464 -21.635 221 H SER 33 H SER 33 20.781 6.923 -19.626 222 HA SER 33 HA SER 33 20.443 8.979 -21.511 223 1HB SER 33 1HB SER 33 18.419 8.250 -22.755 224 2HB SER 33 2HB SER 33 19.822 7.278 -23.213 225 HG SER 33 HG SER 33 18.780 5.599 -22.591 226 H TYR 34 H TYR 34 18.226 6.706 -20.047 227 HA TYR 34 HA TYR 34 16.437 8.505 -19.088 228 1HB TYR 34 1HB TYR 34 17.086 5.817 -17.874 229 2HB TYR 34 2HB TYR 34 15.623 6.736 -17.657 230 HD1 TYR 34 HD1 TYR 34 17.562 4.732 -20.072 231 HD2 TYR 34 HD2 TYR 34 13.896 6.920 -19.427 232 HE1 TYR 34 HE1 TYR 34 16.629 3.723 -22.094 233 HE2 TYR 34 HE2 TYR 34 12.933 5.805 -21.425 234 HH TYR 34 HH TYR 34 14.034 3.108 -22.800 235 HA PRO 35 HA PRO 35 15.055 8.804 -17.345 236 1HB PRO 35 1HB PRO 35 14.549 11.095 -16.054 237 2HB PRO 35 2HB PRO 35 14.336 9.530 -15.295 238 1HG PRO 35 1HG PRO 35 16.328 11.656 -14.834 239 2HG PRO 35 2HG PRO 35 15.862 10.273 -13.827 240 1HD PRO 35 1HD PRO 35 18.170 10.576 -15.490 241 2HD PRO 35 2HD PRO 35 17.718 9.085 -14.620 242 H HIS 36 H HIS 36 13.811 10.355 -18.536 243 HA HIS 36 HA HIS 36 15.270 12.550 -19.763 244 1HB HIS 36 1HB HIS 36 15.106 11.825 -22.063 245 2HB HIS 36 2HB HIS 36 16.086 10.691 -21.111 246 HD1 HIS 36 HD1 HIS 36 15.069 9.561 -23.662 247 HD2 HIS 36 HD2 HIS 36 12.791 9.586 -20.148 248 HE1 HIS 36 HE1 HIS 36 13.250 7.682 -23.933 249 HE2 HIS 36 HE2 HIS 36 11.782 7.909 -21.777 250 H TRP 37 H TRP 37 13.928 14.051 -21.128 251 HA TRP 37 HA TRP 37 11.325 14.299 -19.913 252 1HB TRP 37 1HB TRP 37 12.396 16.186 -20.963 253 2HB TRP 37 2HB TRP 37 12.486 15.269 -22.503 254 HD1 TRP 37 HD1 TRP 37 9.389 16.072 -20.385 255 HE1 TRP 37 HE1 TRP 37 7.649 17.050 -21.933 256 HE3 TRP 37 HE3 TRP 37 12.176 16.172 -24.616 257 HZ2 TRP 37 HZ2 TRP 37 7.501 17.857 -24.691 258 HZ3 TRP 37 HZ3 TRP 37 11.211 17.110 -26.735 259 HH2 TRP 37 HH2 TRP 37 8.875 17.900 -26.742 260 H PHE 38 H PHE 38 9.350 13.995 -20.773 261 HA PHE 38 HA PHE 38 8.985 11.748 -22.658 262 1HB PHE 38 1HB PHE 38 8.593 11.151 -20.134 263 2HB PHE 38 2HB PHE 38 7.419 12.370 -20.095 264 HD1 PHE 38 HD1 PHE 38 7.851 10.158 -23.147 265 HD2 PHE 38 HD2 PHE 38 5.588 11.035 -19.559 266 HE1 PHE 38 HE1 PHE 38 6.149 8.639 -23.896 267 HE2 PHE 38 HE2 PHE 38 3.790 9.564 -20.367 268 HZ PHE 38 HZ PHE 38 4.025 8.377 -22.536 269 H THR 39 H THR 39 8.800 13.563 -24.099 270 HA THR 39 HA THR 39 7.038 15.583 -24.357 271 HB THR 39 HB THR 39 6.635 14.916 -26.744 272 HG1 THR 39 HG1 THR 39 7.944 12.583 -25.981 273 1HG2 THR 39 1HG2 THR 39 8.769 15.489 -27.161 274 2HG2 THR 39 2HG2 THR 39 9.265 14.995 -25.514 275 3HG2 THR 39 3HG2 THR 39 9.340 13.845 -26.833 276 H ASN 40 H ASN 40 6.000 12.206 -24.335 277 HA ASN 40 HA ASN 40 3.891 11.258 -24.009 278 1HB ASN 40 1HB ASN 40 4.175 12.436 -21.835 279 2HB ASN 40 2HB ASN 40 3.391 13.853 -22.504 280 1HD2 ASN 40 1HD2 ASN 40 1.840 13.746 -20.827 281 2HD2 ASN 40 2HD2 ASN 40 0.506 12.616 -21.043 282 H GLY 41 H GLY 41 4.474 13.257 -26.271 283 1HA GLY 41 1HA GLY 41 2.946 13.255 -28.288 284 2HA GLY 41 2HA GLY 41 1.650 13.715 -27.169 285 H TYR 42 H TYR 42 3.295 15.547 -25.532 286 HA TYR 42 HA TYR 42 2.743 18.017 -26.785 287 1HB TYR 42 1HB TYR 42 4.703 17.320 -24.591 288 2HB TYR 42 2HB TYR 42 4.373 18.934 -25.097 289 HD1 TYR 42 HD1 TYR 42 2.268 19.955 -24.799 290 HD2 TYR 42 HD2 TYR 42 2.944 16.057 -23.169 291 HE1 TYR 42 HE1 TYR 42 0.260 20.215 -23.245 292 HE2 TYR 42 HE2 TYR 42 0.999 16.307 -21.683 293 HH TYR 42 HH TYR 42 -0.776 19.290 -21.272 294 H ASP 43 H ASP 43 4.156 19.679 -27.563 295 HA ASP 43 HA ASP 43 6.201 18.579 -29.395 296 1HB ASP 43 1HB ASP 43 4.681 21.075 -29.036 297 2HB ASP 43 2HB ASP 43 6.369 21.406 -29.305 298 H GLY 44 H GLY 44 6.100 20.323 -26.452 299 1HA GLY 44 1HA GLY 44 8.046 19.991 -24.840 300 2HA GLY 44 2HA GLY 44 9.112 20.281 -26.236 301 H ASP 45 H ASP 45 6.129 22.080 -25.506 302 HA ASP 45 HA ASP 45 7.650 24.364 -24.398 303 1HB ASP 45 1HB ASP 45 6.757 24.171 -27.176 304 2HB ASP 45 2HB ASP 45 5.729 25.302 -26.367 305 H GLY 46 H GLY 46 4.446 23.800 -25.737 306 1HA GLY 46 1HA GLY 46 3.207 24.295 -23.023 307 2HA GLY 46 2HA GLY 46 2.629 25.141 -24.488 308 H LYS 47 H LYS 47 1.312 24.011 -25.879 309 HA LYS 47 HA LYS 47 0.142 21.481 -24.806 310 1HB LYS 47 1HB LYS 47 -0.810 23.045 -27.169 311 2HB LYS 47 2HB LYS 47 -1.720 21.874 -26.225 312 1HG LYS 47 1HG LYS 47 -2.429 23.373 -24.716 313 2HG LYS 47 2HG LYS 47 -0.858 23.989 -24.378 314 1HD LYS 47 1HD LYS 47 -1.892 24.868 -27.030 315 2HD LYS 47 2HD LYS 47 -2.851 25.403 -25.652 316 1HE LYS 47 1HE LYS 47 -1.060 26.609 -24.697 317 2HE LYS 47 2HE LYS 47 0.162 25.677 -25.564 318 1HZ LYS 47 1HZ LYS 47 -1.379 27.951 -26.537 319 2HZ LYS 47 2HZ LYS 47 0.164 27.505 -26.903 320 3HZ LYS 47 3HZ LYS 47 -1.090 26.750 -27.618 321 H LEU 48 H LEU 48 -0.717 20.183 -26.905 322 HA LEU 48 HA LEU 48 1.846 19.284 -28.140 323 1HB LEU 48 1HB LEU 48 -0.541 17.660 -28.378 324 2HB LEU 48 2HB LEU 48 1.108 17.222 -27.976 325 HG LEU 48 HG LEU 48 0.548 18.168 -25.675 326 1HD1 LEU 48 1HD1 LEU 48 -1.508 18.944 -25.285 327 2HD1 LEU 48 2HD1 LEU 48 -1.980 18.490 -26.907 328 3HD1 LEU 48 3HD1 LEU 48 -2.144 17.320 -25.532 329 1HD2 LEU 48 1HD2 LEU 48 0.793 15.658 -26.438 330 2HD2 LEU 48 2HD2 LEU 48 0.372 16.114 -24.810 331 3HD2 LEU 48 3HD2 LEU 48 -0.862 15.564 -25.982 332 HA PRO 49 HA PRO 49 0.548 20.331 -32.125 333 1HB PRO 49 1HB PRO 49 1.309 18.129 -33.690 334 2HB PRO 49 2HB PRO 49 2.387 19.397 -33.041 335 1HG PRO 49 1HG PRO 49 2.045 16.588 -32.141 336 2HG PRO 49 2HG PRO 49 3.436 17.699 -31.924 337 1HD PRO 49 1HD PRO 49 1.376 17.025 -30.103 338 2HD PRO 49 2HD PRO 49 2.700 18.217 -29.854 339 H LYS 50 H LYS 50 -0.579 19.294 -34.218 340 HA LYS 50 HA LYS 50 -3.254 18.444 -33.307 341 1HB LYS 50 1HB LYS 50 -3.292 20.193 -34.799 342 2HB LYS 50 2HB LYS 50 -2.151 19.434 -35.890 343 1HG LYS 50 1HG LYS 50 -4.604 17.777 -35.422 344 2HG LYS 50 2HG LYS 50 -4.954 19.363 -36.081 345 1HD LYS 50 1HD LYS 50 -3.055 18.838 -37.822 346 2HD LYS 50 2HD LYS 50 -3.211 17.164 -37.304 347 1HE LYS 50 1HE LYS 50 -4.912 16.864 -38.644 348 2HE LYS 50 2HE LYS 50 -5.852 17.989 -37.651 349 1HZ LYS 50 1HZ LYS 50 -4.296 19.608 -39.185 350 2HZ LYS 50 2HZ LYS 50 -4.666 18.417 -40.243 351 3HZ LYS 50 3HZ LYS 50 -5.871 19.272 -39.506 352 H GLY 51 H GLY 51 -3.141 16.380 -32.713 353 1HA GLY 51 1HA GLY 51 -3.784 14.127 -33.792 354 2HA GLY 51 2HA GLY 51 -2.332 14.321 -34.794 355 H ARG 52 H ARG 52 -3.332 14.162 -31.388 356 HA ARG 52 HA ARG 52 -1.316 12.178 -30.773 357 1HB ARG 52 1HB ARG 52 0.233 13.399 -29.576 358 2HB ARG 52 2HB ARG 52 -0.166 14.637 -30.752 359 1HG ARG 52 1HG ARG 52 -1.259 14.413 -27.916 360 2HG ARG 52 2HG ARG 52 -0.076 15.505 -28.564 361 1HD ARG 52 1HD ARG 52 -1.685 16.774 -29.746 362 2HD ARG 52 2HD ARG 52 -2.837 15.490 -29.911 363 HE ARG 52 HE ARG 52 -2.593 16.133 -27.157 364 1HH1 ARG 52 2HH2 ARG 52 -3.851 17.427 -30.055 365 2HH1 ARG 52 1HH2 ARG 52 -5.149 18.348 -29.287 366 1HH2 ARG 52 2HH1 ARG 52 -4.161 17.334 -26.139 367 2HH2 ARG 52 1HH1 ARG 52 -5.295 18.288 -27.055 368 H THR 53 H THR 53 -1.386 11.667 -28.399 369 HA THR 53 HA THR 53 -3.697 12.719 -26.903 370 HB THR 53 HB THR 53 -3.751 10.018 -28.162 371 HG1 THR 53 HG1 THR 53 -4.889 11.893 -28.912 372 1HG2 THR 53 1HG2 THR 53 -5.220 10.893 -25.627 373 2HG2 THR 53 2HG2 THR 53 -5.634 9.478 -26.646 374 3HG2 THR 53 3HG2 THR 53 -4.092 9.510 -25.767 375 HA PRO 54 HA PRO 54 -0.309 11.608 -24.120 376 1HB PRO 54 1HB PRO 54 -1.114 13.334 -22.042 377 2HB PRO 54 2HB PRO 54 -0.066 13.782 -23.418 378 1HG PRO 54 1HG PRO 54 -2.884 14.493 -22.910 379 2HG PRO 54 2HG PRO 54 -1.661 15.294 -23.918 380 1HD PRO 54 1HD PRO 54 -3.753 13.511 -24.743 381 2HD PRO 54 2HD PRO 54 -2.473 14.216 -25.779 382 H ILE 55 H ILE 55 -0.317 10.937 -21.783 383 HA ILE 55 HA ILE 55 -2.503 9.004 -21.424 384 HB ILE 55 HB ILE 55 -0.105 9.367 -19.633 385 1HG1 ILE 55 1HG1 ILE 55 -0.306 7.919 -22.314 386 2HG1 ILE 55 2HG1 ILE 55 0.837 9.159 -21.806 387 1HG2 ILE 55 1HG2 ILE 55 -1.234 6.686 -20.249 388 2HG2 ILE 55 2HG2 ILE 55 -0.744 7.447 -18.722 389 3HG2 ILE 55 3HG2 ILE 55 -2.358 7.734 -19.396 390 1HD1 ILE 55 1HD1 ILE 55 2.165 7.345 -21.644 391 2HD1 ILE 55 2HD1 ILE 55 1.535 7.511 -19.987 392 3HD1 ILE 55 3HD1 ILE 55 0.857 6.283 -21.089 393 H LYS 56 H LYS 56 -4.105 9.185 -19.978 394 HA LYS 56 HA LYS 56 -4.320 11.742 -18.440 395 1HB LYS 56 1HB LYS 56 -6.248 11.046 -19.687 396 2HB LYS 56 2HB LYS 56 -6.266 9.448 -18.954 397 1HG LYS 56 1HG LYS 56 -6.430 11.890 -17.157 398 2HG LYS 56 2HG LYS 56 -7.840 11.473 -18.091 399 1HD LYS 56 1HD LYS 56 -6.732 9.055 -16.812 400 2HD LYS 56 2HD LYS 56 -7.018 10.315 -15.610 401 1HE LYS 56 1HE LYS 56 -9.333 10.551 -16.326 402 2HE LYS 56 2HE LYS 56 -9.044 9.481 -17.708 403 1HZ LYS 56 1HZ LYS 56 -9.920 8.004 -16.194 404 2HZ LYS 56 2HZ LYS 56 -8.332 7.842 -15.822 405 3HZ LYS 56 3HZ LYS 56 -9.303 8.768 -14.874 406 H PHE 57 H PHE 57 -4.513 11.843 -16.298 407 HA PHE 57 HA PHE 57 -3.801 9.448 -14.584 408 1HB PHE 57 1HB PHE 57 -2.699 12.242 -14.165 409 2HB PHE 57 2HB PHE 57 -2.188 10.736 -13.401 410 HD1 PHE 57 HD1 PHE 57 -1.873 12.978 -16.327 411 HD2 PHE 57 HD2 PHE 57 -0.931 9.031 -14.810 412 HE1 PHE 57 HE1 PHE 57 -0.148 12.744 -18.021 413 HE2 PHE 57 HE2 PHE 57 0.850 8.823 -16.564 414 HZ PHE 57 HZ PHE 57 1.202 10.661 -18.174 415 H GLY 58 H GLY 58 -4.902 12.828 -14.493 416 1HA GLY 58 1HA GLY 58 -7.162 13.343 -13.520 417 2HA GLY 58 2HA GLY 58 -6.760 12.186 -12.232 418 H LYS 59 H LYS 59 -3.893 13.698 -12.910 419 HA LYS 59 HA LYS 59 -4.262 15.616 -10.607 420 1HB LYS 59 1HB LYS 59 -1.831 14.149 -11.822 421 2HB LYS 59 2HB LYS 59 -1.630 15.603 -10.870 422 1HG LYS 59 1HG LYS 59 -1.615 14.219 -9.074 423 2HG LYS 59 2HG LYS 59 -3.349 14.321 -9.207 424 1HD LYS 59 1HD LYS 59 -2.491 12.203 -10.995 425 2HD LYS 59 2HD LYS 59 -1.635 12.002 -9.475 426 1HE LYS 59 1HE LYS 59 -4.643 12.488 -9.641 427 2HE LYS 59 2HE LYS 59 -3.942 10.873 -9.806 428 1HZ LYS 59 1HZ LYS 59 -2.749 11.927 -7.580 429 2HZ LYS 59 2HZ LYS 59 -4.307 12.403 -7.414 430 3HZ LYS 59 3HZ LYS 59 -3.945 10.803 -7.578 431 H SER 60 H SER 60 -4.239 17.632 -10.865 432 HA SER 60 HA SER 60 -4.363 18.799 -13.495 433 1HB SER 60 1HB SER 60 -4.692 20.849 -12.466 434 2HB SER 60 2HB SER 60 -5.440 19.678 -11.361 435 HG SER 60 HG SER 60 -3.636 19.908 -9.993 436 H ASP 61 H ASP 61 -1.689 17.832 -11.600 437 HA ASP 61 HA ASP 61 0.244 19.750 -12.654 438 1HB ASP 61 1HB ASP 61 1.033 17.193 -11.287 439 2HB ASP 61 2HB ASP 61 1.761 18.787 -11.218 440 H CYS 62 H CYS 62 -0.353 16.259 -12.884 441 HA CYS 62 HA CYS 62 1.536 15.886 -15.095 442 1HB CYS 62 1HB CYS 62 0.805 14.226 -13.186 443 2HB CYS 62 2HB CYS 62 -0.574 13.876 -14.262 444 H ASP 63 H ASP 63 -1.656 16.962 -14.815 445 HA ASP 63 HA ASP 63 -2.512 16.283 -17.584 446 1HB ASP 63 1HB ASP 63 -4.200 16.272 -15.830 447 2HB ASP 63 2HB ASP 63 -3.723 17.901 -15.329 448 H ARG 64 H ARG 64 -1.407 19.095 -15.632 449 HA ARG 64 HA ARG 64 -1.910 21.018 -17.522 450 1HB ARG 64 1HB ARG 64 -0.958 22.330 -15.960 451 2HB ARG 64 2HB ARG 64 -0.506 20.868 -15.097 452 1HG ARG 64 1HG ARG 64 1.644 20.715 -16.184 453 2HG ARG 64 2HG ARG 64 1.277 22.245 -17.053 454 1HD ARG 64 1HD ARG 64 2.744 22.402 -15.068 455 2HD ARG 64 2HD ARG 64 1.396 23.566 -15.330 456 HE ARG 64 HE ARG 64 0.814 21.229 -13.674 457 1HH1 ARG 64 2HH2 ARG 64 1.755 24.518 -13.710 458 2HH1 ARG 64 1HH2 ARG 64 1.306 24.827 -12.031 459 1HH2 ARG 64 2HH1 ARG 64 0.209 21.577 -11.545 460 2HH2 ARG 64 1HH1 ARG 64 0.420 23.137 -10.830 461 HA PRO 65 HA PRO 65 0.937 20.370 -20.732 462 1HB PRO 65 1HB PRO 65 1.540 22.989 -21.526 463 2HB PRO 65 2HB PRO 65 0.086 22.017 -21.967 464 1HG PRO 65 1HG PRO 65 0.301 24.293 -20.087 465 2HG PRO 65 2HG PRO 65 -1.141 23.619 -20.932 466 1HD PRO 65 1HD PRO 65 -0.302 23.184 -18.238 467 2HD PRO 65 2HD PRO 65 -1.709 22.461 -19.078 468 HA PRO 66 HA PRO 66 4.996 20.759 -18.805 469 1HB PRO 66 1HB PRO 66 6.536 19.818 -20.965 470 2HB PRO 66 2HB PRO 66 5.605 18.790 -19.798 471 1HG PRO 66 1HG PRO 66 4.975 19.372 -22.634 472 2HG PRO 66 2HG PRO 66 4.464 18.017 -21.563 473 1HD PRO 66 1HD PRO 66 3.043 20.399 -22.208 474 2HD PRO 66 2HD PRO 66 2.556 19.060 -21.085 475 H LYS 67 H LYS 67 7.150 21.741 -19.385 476 HA LYS 67 HA LYS 67 7.055 23.960 -21.411 477 1HB LYS 67 1HB LYS 67 7.114 24.271 -18.400 478 2HB LYS 67 2HB LYS 67 8.097 25.362 -19.326 479 1HG LYS 67 1HG LYS 67 5.483 25.201 -20.618 480 2HG LYS 67 2HG LYS 67 5.291 25.591 -18.939 481 1HD LYS 67 1HD LYS 67 7.058 27.365 -19.208 482 2HD LYS 67 2HD LYS 67 7.025 27.043 -20.962 483 1HE LYS 67 1HE LYS 67 5.000 28.029 -21.261 484 2HE LYS 67 2HE LYS 67 4.336 27.387 -19.761 485 1HZ LYS 67 1HZ LYS 67 4.720 29.380 -18.798 486 2HZ LYS 67 2HZ LYS 67 6.330 29.251 -19.128 487 3HZ LYS 67 3HZ LYS 67 5.334 29.973 -20.202 488 H HIS 68 H HIS 68 8.389 22.221 -22.339 489 HA HIS 68 HA HIS 68 11.128 21.940 -21.084 490 1HB HIS 68 1HB HIS 68 10.174 19.911 -22.055 491 2HB HIS 68 2HB HIS 68 9.787 20.745 -23.546 492 HD1 HIS 68 HD1 HIS 68 11.676 21.160 -25.275 493 HD2 HIS 68 HD2 HIS 68 12.841 19.236 -21.687 494 HE1 HIS 68 HE1 HIS 68 14.084 20.155 -25.640 495 HE2 HIS 68 HE2 HIS 68 14.654 18.957 -23.354 496 H SER 69 H SER 69 13.011 22.528 -22.270 497 HA SER 69 HA SER 69 12.724 24.522 -24.457 498 1HB SER 69 1HB SER 69 13.980 26.201 -23.382 499 2HB SER 69 2HB SER 69 12.741 25.737 -22.192 500 HG SER 69 HG SER 69 14.738 25.742 -21.171 501 H LYS 70 H LYS 70 15.276 25.345 -24.614 502 HA LYS 70 HA LYS 70 16.654 22.844 -25.533 503 1HB LYS 70 1HB LYS 70 16.464 25.608 -26.436 504 2HB LYS 70 2HB LYS 70 18.137 25.164 -26.321 505 1HG LYS 70 1HG LYS 70 18.059 23.536 -27.909 506 2HG LYS 70 2HG LYS 70 16.393 23.086 -27.589 507 1HD LYS 70 1HD LYS 70 15.855 24.135 -29.447 508 2HD LYS 70 2HD LYS 70 15.938 25.614 -28.523 509 1HE LYS 70 1HE LYS 70 18.564 24.625 -29.575 510 2HE LYS 70 2HE LYS 70 17.370 25.028 -30.812 511 1HZ LYS 70 1HZ LYS 70 17.938 27.160 -30.479 512 2HZ LYS 70 2HZ LYS 70 17.266 27.084 -28.985 513 3HZ LYS 70 3HZ LYS 70 18.868 26.805 -29.161 514 H ASP 71 H ASP 71 16.870 22.253 -23.334 515 HA ASP 71 HA ASP 71 19.584 22.529 -22.405 516 1HB ASP 71 1HB ASP 71 19.188 24.676 -21.584 517 2HB ASP 71 2HB ASP 71 17.518 24.303 -21.152 518 H GLY 72 H GLY 72 16.250 22.044 -21.312 519 1HA GLY 72 1HA GLY 72 15.597 19.651 -20.936 520 2HA GLY 72 2HA GLY 72 17.102 19.538 -19.966 521 H ASN 73 H ASN 73 17.254 21.179 -18.176 522 HA ASN 73 HA ASN 73 14.687 21.672 -16.749 523 1HB ASN 73 1HB ASN 73 16.123 21.125 -14.676 524 2HB ASN 73 2HB ASN 73 15.555 19.749 -15.579 525 1HD2 ASN 73 1HD2 ASN 73 17.096 19.103 -17.285 526 2HD2 ASN 73 2HD2 ASN 73 18.844 19.011 -16.798 527 H GLY 74 H GLY 74 15.513 23.565 -18.270 528 1HA GLY 74 1HA GLY 74 17.516 25.246 -17.277 529 2HA GLY 74 2HA GLY 74 16.163 25.803 -18.286 530 H LYS 75 H LYS 75 14.782 27.147 -17.364 531 HA LYS 75 HA LYS 75 15.082 28.063 -14.606 532 1HB LYS 75 1HB LYS 75 12.938 28.437 -16.760 533 2HB LYS 75 2HB LYS 75 12.679 29.062 -15.134 534 1HG LYS 75 1HG LYS 75 15.277 29.942 -15.752 535 2HG LYS 75 2HG LYS 75 14.394 30.113 -17.281 536 1HD LYS 75 1HD LYS 75 12.646 31.418 -16.121 537 2HD LYS 75 2HD LYS 75 13.464 31.132 -14.559 538 1HE LYS 75 1HE LYS 75 15.493 32.270 -15.449 539 2HE LYS 75 2HE LYS 75 14.603 32.674 -16.922 540 1HZ LYS 75 1HZ LYS 75 13.608 34.374 -15.837 541 2HZ LYS 75 2HZ LYS 75 13.156 33.421 -14.577 542 3HZ LYS 75 3HZ LYS 75 14.629 34.129 -14.573 543 H THR 76 H THR 76 11.937 27.020 -15.515 544 HA THR 76 HA THR 76 12.026 25.001 -13.291 545 HB THR 76 HB THR 76 10.877 27.415 -12.849 546 HG1 THR 76 HG1 THR 76 10.227 24.846 -11.965 547 1HG2 THR 76 1HG2 THR 76 8.950 26.647 -14.575 548 2HG2 THR 76 2HG2 THR 76 8.399 25.738 -13.147 549 3HG2 THR 76 3HG2 THR 76 8.551 27.493 -13.059 550 H ASP 77 H ASP 77 12.032 24.971 -16.365 551 HA ASP 77 HA ASP 77 9.888 24.280 -17.701 552 1HB ASP 77 1HB ASP 77 12.516 22.717 -17.477 553 2HB ASP 77 2HB ASP 77 11.286 22.455 -18.706 554 H HIS 78 H HIS 78 8.102 23.381 -16.730 555 HA HIS 78 HA HIS 78 8.479 21.016 -14.924 556 1HB HIS 78 1HB HIS 78 5.997 21.236 -14.594 557 2HB HIS 78 2HB HIS 78 7.004 22.537 -13.999 558 HD1 HIS 78 HD1 HIS 78 4.271 21.824 -16.459 559 HD2 HIS 78 HD2 HIS 78 7.035 24.861 -15.518 560 HE1 HIS 78 HE1 HIS 78 3.320 23.995 -17.490 561 HE2 HIS 78 HE2 HIS 78 5.028 25.839 -16.972 562 H TYR 79 H TYR 79 9.435 20.130 -17.030 563 HA TYR 79 HA TYR 79 7.516 19.036 -18.940 564 1HB TYR 79 1HB TYR 79 9.416 18.265 -20.078 565 2HB TYR 79 2HB TYR 79 9.667 19.934 -19.659 566 HD1 TYR 79 HD1 TYR 79 10.835 16.415 -18.962 567 HD2 TYR 79 HD2 TYR 79 11.324 20.557 -18.038 568 HE1 TYR 79 HE1 TYR 79 12.943 15.961 -17.799 569 HE2 TYR 79 HE2 TYR 79 13.289 20.067 -16.669 570 HH TYR 79 HH TYR 79 14.281 16.863 -15.979 571 H LEU 80 H LEU 80 6.771 16.957 -18.987 572 HA LEU 80 HA LEU 80 7.044 15.353 -16.520 573 1HB LEU 80 1HB LEU 80 5.703 14.971 -19.249 574 2HB LEU 80 2HB LEU 80 5.753 13.663 -18.088 575 HG LEU 80 HG LEU 80 4.839 16.320 -17.008 576 1HD1 LEU 80 1HD1 LEU 80 2.706 16.331 -17.885 577 2HD1 LEU 80 2HD1 LEU 80 3.640 15.873 -19.316 578 3HD1 LEU 80 3HD1 LEU 80 2.757 14.631 -18.380 579 1HD2 LEU 80 1HD2 LEU 80 3.367 14.857 -15.816 580 2HD2 LEU 80 2HD2 LEU 80 3.961 13.425 -16.659 581 3HD2 LEU 80 3HD2 LEU 80 5.063 14.329 -15.606 582 H LEU 81 H LEU 81 8.613 13.847 -16.178 583 HA LEU 81 HA LEU 81 10.173 12.836 -18.556 584 1HB LEU 81 1HB LEU 81 11.577 14.301 -17.616 585 2HB LEU 81 2HB LEU 81 11.073 14.070 -15.960 586 HG LEU 81 HG LEU 81 12.419 11.713 -17.338 587 1HD1 LEU 81 1HD1 LEU 81 14.472 12.684 -17.309 588 2HD1 LEU 81 2HD1 LEU 81 13.684 14.165 -17.413 589 3HD1 LEU 81 3HD1 LEU 81 14.159 13.549 -15.800 590 1HD2 LEU 81 1HD2 LEU 81 11.413 12.230 -14.803 591 2HD2 LEU 81 2HD2 LEU 81 12.126 10.771 -15.474 592 3HD2 LEU 81 3HD2 LEU 81 13.182 11.982 -14.733 593 H GLU 82 H GLU 82 10.576 10.774 -18.647 594 HA GLU 82 HA GLU 82 9.227 9.114 -16.560 595 1HB GLU 82 1HB GLU 82 9.110 7.368 -18.197 596 2HB GLU 82 2HB GLU 82 8.410 8.863 -18.886 597 1HG GLU 82 1HG GLU 82 11.307 8.198 -19.406 598 2HG GLU 82 2HG GLU 82 10.113 7.142 -20.039 599 H PHE 83 H PHE 83 10.162 7.008 -16.068 600 HA PHE 83 HA PHE 83 13.081 6.844 -16.528 601 1HB PHE 83 1HB PHE 83 12.440 8.191 -14.376 602 2HB PHE 83 2HB PHE 83 11.995 6.584 -13.762 603 HD1 PHE 83 HD1 PHE 83 13.438 5.875 -12.171 604 HD2 PHE 83 HD2 PHE 83 14.865 7.520 -15.843 605 HE1 PHE 83 HE1 PHE 83 15.862 5.483 -11.494 606 HE2 PHE 83 HE2 PHE 83 17.239 7.046 -15.123 607 HZ PHE 83 HZ PHE 83 17.621 6.311 -12.921 608 HA PRO 84 HA PRO 84 11.804 2.533 -16.671 609 1HB PRO 84 1HB PRO 84 14.290 1.444 -17.104 610 2HB PRO 84 2HB PRO 84 13.221 2.111 -18.400 611 1HG PRO 84 1HG PRO 84 15.667 3.209 -17.225 612 2HG PRO 84 2HG PRO 84 14.863 3.600 -18.768 613 1HD PRO 84 1HD PRO 84 14.854 5.034 -16.284 614 2HD PRO 84 2HD PRO 84 13.867 5.400 -17.759 615 H THR 85 H THR 85 11.235 1.509 -15.025 616 HA THR 85 HA THR 85 13.134 1.095 -12.736 617 HB THR 85 HB THR 85 11.590 2.535 -11.789 618 HG1 THR 85 HG1 THR 85 10.330 0.061 -11.561 619 1HG2 THR 85 1HG2 THR 85 9.504 1.263 -13.612 620 2HG2 THR 85 2HG2 THR 85 9.015 2.104 -12.132 621 3HG2 THR 85 3HG2 THR 85 9.928 2.973 -13.378 622 H PHE 86 H PHE 86 13.801 -0.862 -12.728 623 HA PHE 86 HA PHE 86 12.261 -3.044 -13.905 624 1HB PHE 86 1HB PHE 86 14.836 -3.072 -12.280 625 2HB PHE 86 2HB PHE 86 14.256 -4.389 -13.303 626 HD1 PHE 86 HD1 PHE 86 16.464 -1.713 -13.182 627 HD2 PHE 86 HD2 PHE 86 13.599 -3.618 -15.833 628 HE1 PHE 86 HE1 PHE 86 17.714 -0.999 -15.209 629 HE2 PHE 86 HE2 PHE 86 14.808 -2.722 -17.773 630 HZ PHE 86 HZ PHE 86 16.885 -1.301 -17.366 631 HA PRO 87 HA PRO 87 10.388 -4.546 -10.201 632 1HB PRO 87 1HB PRO 87 10.441 -7.306 -10.650 633 2HB PRO 87 2HB PRO 87 9.289 -6.131 -11.381 634 1HG PRO 87 1HG PRO 87 11.524 -7.546 -12.695 635 2HG PRO 87 2HG PRO 87 10.049 -6.768 -13.378 636 1HD PRO 87 1HD PRO 87 12.698 -5.761 -13.264 637 2HD PRO 87 2HD PRO 87 11.237 -4.917 -13.872 638 H ASP 88 H ASP 88 13.306 -6.426 -11.173 639 HA ASP 88 HA ASP 88 14.118 -7.694 -8.992 640 1HB ASP 88 1HB ASP 88 16.084 -5.895 -10.326 641 2HB ASP 88 2HB ASP 88 16.343 -7.509 -9.728 642 H GLY 89 H GLY 89 14.005 -4.279 -9.384 643 1HA GLY 89 1HA GLY 89 13.850 -2.637 -7.782 644 2HA GLY 89 2HA GLY 89 14.422 -3.795 -6.539 645 H HIS 90 H HIS 90 16.317 -3.880 -9.254 646 HA HIS 90 HA HIS 90 18.555 -2.604 -7.864 647 1HB HIS 90 1HB HIS 90 19.986 -3.607 -9.442 648 2HB HIS 90 2HB HIS 90 18.762 -4.800 -9.045 649 HD1 HIS 90 HD1 HIS 90 17.968 -6.151 -11.223 650 HD2 HIS 90 HD2 HIS 90 19.179 -2.144 -11.944 651 HE1 HIS 90 HE1 HIS 90 17.707 -5.784 -13.652 652 HE2 HIS 90 HE2 HIS 90 18.355 -3.412 -14.181 653 H ASP 91 H ASP 91 19.226 -0.644 -8.221 654 HA ASP 91 HA ASP 91 17.798 1.315 -9.769 655 1HB ASP 91 1HB ASP 91 19.151 1.857 -7.794 656 2HB ASP 91 2HB ASP 91 20.620 1.198 -8.589 657 H TYR 92 H TYR 92 17.551 0.838 -11.849 658 HA TYR 92 HA TYR 92 18.968 -0.411 -13.732 659 1HB TYR 92 1HB TYR 92 16.924 0.853 -14.306 660 2HB TYR 92 2HB TYR 92 17.648 2.329 -13.850 661 HD1 TYR 92 HD1 TYR 92 17.347 3.537 -15.824 662 HD2 TYR 92 HD2 TYR 92 19.468 -0.253 -16.034 663 HE1 TYR 92 HE1 TYR 92 18.040 3.962 -18.158 664 HE2 TYR 92 HE2 TYR 92 20.129 0.215 -18.318 665 HH TYR 92 HH TYR 92 19.656 3.151 -19.861 666 H LYS 93 H LYS 93 20.982 -0.346 -14.662 667 HA LYS 93 HA LYS 93 22.963 1.520 -13.689 668 1HB LYS 93 1HB LYS 93 24.377 0.414 -15.447 669 2HB LYS 93 2HB LYS 93 23.719 -0.656 -14.206 670 1HG LYS 93 1HG LYS 93 22.393 -1.830 -15.665 671 2HG LYS 93 2HG LYS 93 21.965 -0.412 -16.631 672 1HD LYS 93 1HD LYS 93 23.345 -1.955 -17.895 673 2HD LYS 93 2HD LYS 93 24.049 -0.347 -17.743 674 1HE LYS 93 1HE LYS 93 25.033 -1.897 -15.569 675 2HE LYS 93 2HE LYS 93 24.910 -3.054 -16.896 676 1HZ LYS 93 1HZ LYS 93 26.961 -2.114 -17.341 677 2HZ LYS 93 2HZ LYS 93 26.046 -0.993 -18.148 678 3HZ LYS 93 3HZ LYS 93 26.579 -0.671 -16.636 679 H PHE 94 H PHE 94 21.373 3.281 -14.351 680 HA PHE 94 HA PHE 94 21.396 4.280 -17.098 681 1HB PHE 94 1HB PHE 94 20.330 6.260 -15.977 682 2HB PHE 94 2HB PHE 94 19.462 4.755 -15.833 683 HD1 PHE 94 HD1 PHE 94 18.682 4.087 -13.783 684 HD2 PHE 94 HD2 PHE 94 21.993 6.845 -13.891 685 HE1 PHE 94 HE1 PHE 94 18.533 4.313 -11.397 686 HE2 PHE 94 HE2 PHE 94 21.903 7.018 -11.431 687 HZ PHE 94 HZ PHE 94 20.155 5.801 -10.159 688 H ASP 95 H ASP 95 23.725 4.106 -14.747 689 HA ASP 95 HA ASP 95 24.971 6.761 -15.236 690 1HB ASP 95 1HB ASP 95 24.761 5.197 -12.969 691 2HB ASP 95 2HB ASP 95 26.322 4.668 -13.591 692 H SER 96 H SER 96 25.427 3.301 -15.776 693 HA SER 96 HA SER 96 28.069 3.633 -17.047 694 1HB SER 96 1HB SER 96 26.202 1.251 -16.887 695 2HB SER 96 2HB SER 96 27.824 1.222 -17.637 696 HG SER 96 HG SER 96 28.712 1.490 -15.619 697 H LYS 97 H LYS 97 27.750 4.978 -18.715 698 HA LYS 97 HA LYS 97 25.731 4.811 -20.727 699 1HB LYS 97 1HB LYS 97 26.948 6.350 -21.956 700 2HB LYS 97 2HB LYS 97 27.589 6.615 -20.328 701 1HG LYS 97 1HG LYS 97 29.569 5.208 -20.962 702 2HG LYS 97 2HG LYS 97 28.821 5.017 -22.592 703 1HD LYS 97 1HD LYS 97 28.889 7.355 -22.990 704 2HD LYS 97 2HD LYS 97 29.760 7.605 -21.449 705 1HE LYS 97 1HE LYS 97 30.914 5.432 -23.144 706 2HE LYS 97 2HE LYS 97 30.839 6.975 -23.996 707 1HZ LYS 97 1HZ LYS 97 31.798 7.763 -21.657 708 2HZ LYS 97 2HZ LYS 97 32.443 6.266 -21.656 709 3HZ LYS 97 3HZ LYS 97 32.790 7.324 -22.879 710 H LYS 98 H LYS 98 28.875 3.265 -20.652 711 HA LYS 98 HA LYS 98 27.842 1.233 -22.432 712 1HB LYS 98 1HB LYS 98 29.602 3.225 -23.499 713 2HB LYS 98 2HB LYS 98 30.490 1.704 -23.412 714 1HG LYS 98 1HG LYS 98 28.296 0.652 -24.462 715 2HG LYS 98 2HG LYS 98 27.841 2.304 -24.825 716 1HD LYS 98 1HD LYS 98 30.590 1.251 -25.586 717 2HD LYS 98 2HD LYS 98 29.199 0.736 -26.524 718 1HE LYS 98 1HE LYS 98 29.111 2.667 -27.650 719 2HE LYS 98 2HE LYS 98 28.938 3.566 -26.145 720 1HZ LYS 98 1HZ LYS 98 30.930 4.400 -26.935 721 2HZ LYS 98 2HZ LYS 98 31.528 3.126 -26.064 722 3HZ LYS 98 3HZ LYS 98 31.372 3.013 -27.684 723 HA PRO 99 HA PRO 99 28.049 -0.736 -22.886 724 1HB PRO 99 1HB PRO 99 27.235 -3.037 -21.691 725 2HB PRO 99 2HB PRO 99 28.610 -2.818 -22.816 726 1HG PRO 99 1HG PRO 99 28.655 -3.240 -19.875 727 2HG PRO 99 2HG PRO 99 29.929 -3.566 -21.101 728 1HD PRO 99 1HD PRO 99 29.723 -1.312 -19.310 729 2HD PRO 99 2HD PRO 99 30.949 -1.571 -20.585 730 H LYS 100 H LYS 100 25.672 -1.449 -22.557 731 HA LYS 100 HA LYS 100 24.425 -0.186 -20.161 732 1HB LYS 100 1HB LYS 100 22.939 1.111 -21.360 733 2HB LYS 100 2HB LYS 100 24.510 1.458 -22.035 734 1HG LYS 100 1HG LYS 100 24.099 0.562 -24.081 735 2HG LYS 100 2HG LYS 100 23.101 -0.729 -23.536 736 1HD LYS 100 1HD LYS 100 21.409 0.385 -24.431 737 2HD LYS 100 2HD LYS 100 21.326 1.091 -22.840 738 1HE LYS 100 1HE LYS 100 21.170 2.747 -24.695 739 2HE LYS 100 2HE LYS 100 22.500 3.086 -23.556 740 1HZ LYS 100 1HZ LYS 100 24.053 2.457 -25.087 741 2HZ LYS 100 2HZ LYS 100 23.056 1.456 -25.913 742 3HZ LYS 100 3HZ LYS 100 22.951 3.087 -26.138 743 H GLU 101 H GLU 101 22.451 -1.101 -19.596 744 HA GLU 101 HA GLU 101 21.923 -3.794 -20.828 745 1HB GLU 101 1HB GLU 101 22.496 -3.911 -18.516 746 2HB GLU 101 2HB GLU 101 21.276 -2.693 -18.066 747 1HG GLU 101 1HG GLU 101 19.470 -4.120 -18.644 748 2HG GLU 101 2HG GLU 101 20.573 -5.314 -19.397 749 H ASN 102 H ASN 102 19.671 -4.362 -20.880 750 HA ASN 102 HA ASN 102 18.019 -2.926 -22.509 751 1HB ASN 102 1HB ASN 102 17.357 -5.153 -21.987 752 2HB ASN 102 2HB ASN 102 17.368 -4.855 -20.232 753 1HD2 ASN 102 1HD2 ASN 102 15.774 -3.326 -19.406 754 2HD2 ASN 102 2HD2 ASN 102 14.220 -3.201 -20.264 755 HA PRO 103 HA PRO 103 16.743 0.557 -20.010 756 1HB PRO 103 1HB PRO 103 14.573 1.384 -21.549 757 2HB PRO 103 2HB PRO 103 16.318 1.679 -21.902 758 1HG PRO 103 1HG PRO 103 14.454 -0.229 -23.254 759 2HG PRO 103 2HG PRO 103 15.950 0.574 -23.868 760 1HD PRO 103 1HD PRO 103 15.631 -2.038 -22.853 761 2HD PRO 103 2HD PRO 103 17.161 -1.245 -23.343 762 H GLY 104 H GLY 104 13.671 -0.808 -21.343 763 1HA GLY 104 1HA GLY 104 12.550 -2.339 -19.604 764 2HA GLY 104 2HA GLY 104 12.653 -0.973 -18.496 765 HA PRO 105 HA PRO 105 9.057 -0.387 -21.550 766 1HB PRO 105 1HB PRO 105 7.034 -2.045 -20.525 767 2HB PRO 105 2HB PRO 105 8.099 -2.422 -21.904 768 1HG PRO 105 1HG PRO 105 8.144 -3.492 -19.136 769 2HG PRO 105 2HG PRO 105 8.821 -4.190 -20.632 770 1HD PRO 105 1HD PRO 105 10.226 -2.798 -18.560 771 2HD PRO 105 2HD PRO 105 10.849 -3.387 -20.136 772 H ALA 106 H ALA 106 7.993 -1.478 -18.264 773 HA ALA 106 HA ALA 106 6.359 0.793 -17.800 774 1HB ALA 106 1HB ALA 106 6.227 -1.349 -16.725 775 2HB ALA 106 2HB ALA 106 7.760 -1.001 -15.833 776 3HB ALA 106 3HB ALA 106 6.332 -0.021 -15.530 777 H ARG 107 H ARG 107 6.754 2.716 -17.071 778 HA ARG 107 HA ARG 107 9.323 3.323 -15.725 779 1HB ARG 107 1HB ARG 107 8.230 4.864 -18.154 780 2HB ARG 107 2HB ARG 107 9.617 5.329 -17.174 781 1HG ARG 107 1HG ARG 107 10.357 2.763 -17.919 782 2HG ARG 107 2HG ARG 107 9.326 3.161 -19.217 783 1HD ARG 107 1HD ARG 107 11.099 5.433 -18.793 784 2HD ARG 107 2HD ARG 107 12.043 3.955 -18.669 785 HE ARG 107 HE ARG 107 11.966 3.660 -20.843 786 1HH1 ARG 107 2HH2 ARG 107 9.103 5.294 -19.968 787 2HH1 ARG 107 1HH2 ARG 107 8.486 5.582 -21.560 788 1HH2 ARG 107 2HH1 ARG 107 11.257 3.941 -22.940 789 2HH2 ARG 107 1HH1 ARG 107 9.722 4.788 -23.223 790 H VAL 108 H VAL 108 9.330 5.134 -14.469 791 HA VAL 108 HA VAL 108 6.645 5.878 -13.415 792 HB VAL 108 HB VAL 108 8.262 5.223 -11.793 793 1HG1 VAL 108 1HG1 VAL 108 10.402 5.493 -12.620 794 2HG1 VAL 108 2HG1 VAL 108 10.127 7.180 -13.147 795 3HG1 VAL 108 3HG1 VAL 108 10.261 6.865 -11.474 796 1HG2 VAL 108 1HG2 VAL 108 6.713 7.190 -11.453 797 2HG2 VAL 108 2HG2 VAL 108 8.087 7.082 -10.311 798 3HG2 VAL 108 3HG2 VAL 108 8.108 8.255 -11.639 799 H ILE 109 H ILE 109 5.626 7.587 -14.097 800 HA ILE 109 HA ILE 109 7.162 9.766 -15.533 801 HB ILE 109 HB ILE 109 4.411 8.640 -15.866 802 1HG1 ILE 109 1HG1 ILE 109 4.995 8.444 -18.118 803 2HG1 ILE 109 2HG1 ILE 109 6.443 9.467 -17.973 804 1HG2 ILE 109 1HG2 ILE 109 3.906 10.964 -15.782 805 2HG2 ILE 109 2HG2 ILE 109 5.384 11.418 -16.659 806 3HG2 ILE 109 3HG2 ILE 109 4.032 10.607 -17.493 807 1HD1 ILE 109 1HD1 ILE 109 7.577 7.778 -16.724 808 2HD1 ILE 109 2HD1 ILE 109 6.092 6.813 -16.563 809 3HD1 ILE 109 3HD1 ILE 109 6.972 6.974 -18.123 810 H TYR 110 H TYR 110 7.564 11.439 -14.414 811 HA TYR 110 HA TYR 110 5.491 12.432 -12.512 812 1HB TYR 110 1HB TYR 110 7.157 12.732 -10.828 813 2HB TYR 110 2HB TYR 110 7.160 11.063 -11.314 814 HD1 TYR 110 HD1 TYR 110 9.257 10.024 -11.817 815 HD2 TYR 110 HD2 TYR 110 8.952 14.302 -12.119 816 HE1 TYR 110 HE1 TYR 110 11.686 10.212 -12.199 817 HE2 TYR 110 HE2 TYR 110 11.294 14.502 -12.623 818 HH TYR 110 HH TYR 110 13.374 11.644 -12.773 819 H THR 111 H THR 111 5.457 14.597 -12.278 820 HA THR 111 HA THR 111 6.606 16.130 -14.497 821 HB THR 111 HB THR 111 5.166 17.837 -13.900 822 HG1 THR 111 HG1 THR 111 5.821 18.057 -11.704 823 1HG2 THR 111 1HG2 THR 111 3.320 15.953 -12.489 824 2HG2 THR 111 2HG2 THR 111 3.168 16.802 -14.052 825 3HG2 THR 111 3HG2 THR 111 4.000 15.245 -13.882 826 H TYR 112 H TYR 112 7.959 17.991 -14.276 827 HA TYR 112 HA TYR 112 9.716 17.750 -11.891 828 1HB TYR 112 1HB TYR 112 10.986 17.378 -13.655 829 2HB TYR 112 2HB TYR 112 10.137 18.481 -14.728 830 HD1 TYR 112 HD1 TYR 112 13.186 18.045 -13.102 831 HD2 TYR 112 HD2 TYR 112 10.284 21.100 -13.887 832 HE1 TYR 112 HE1 TYR 112 14.903 19.843 -12.674 833 HE2 TYR 112 HE2 TYR 112 11.945 22.808 -13.590 834 HH TYR 112 HH TYR 112 14.114 23.245 -12.489 835 HA PRO 113 HA PRO 113 11.439 18.980 -11.108 836 1HB PRO 113 1HB PRO 113 11.901 20.156 -8.691 837 2HB PRO 113 2HB PRO 113 12.564 20.685 -10.265 838 1HG PRO 113 1HG PRO 113 10.400 21.923 -8.636 839 2HG PRO 113 2HG PRO 113 11.452 22.660 -9.886 840 1HD PRO 113 1HD PRO 113 8.708 21.809 -10.212 841 2HD PRO 113 2HD PRO 113 9.822 22.345 -11.483 842 H ASN 114 H ASN 114 9.012 19.965 -8.737 843 HA ASN 114 HA ASN 114 9.146 17.845 -6.910 844 1HB ASN 114 1HB ASN 114 7.554 19.881 -6.789 845 2HB ASN 114 2HB ASN 114 6.536 19.060 -7.978 846 1HD2 ASN 114 1HD2 ASN 114 4.869 19.102 -6.310 847 2HD2 ASN 114 2HD2 ASN 114 4.942 17.856 -5.053 848 H LYS 115 H LYS 115 9.364 15.790 -7.578 849 HA LYS 115 HA LYS 115 8.335 14.596 -9.924 850 1HB LYS 115 1HB LYS 115 9.622 13.590 -7.375 851 2HB LYS 115 2HB LYS 115 8.867 12.398 -8.437 852 1HG LYS 115 1HG LYS 115 10.437 12.432 -9.889 853 2HG LYS 115 2HG LYS 115 10.526 14.232 -9.967 854 1HD LYS 115 1HD LYS 115 11.875 12.467 -7.920 855 2HD LYS 115 2HD LYS 115 12.598 12.999 -9.445 856 1HE LYS 115 1HE LYS 115 13.196 14.926 -8.401 857 2HE LYS 115 2HE LYS 115 11.505 15.377 -8.584 858 1HZ LYS 115 1HZ LYS 115 12.918 14.405 -6.231 859 2HZ LYS 115 2HZ LYS 115 11.779 15.600 -6.326 860 3HZ LYS 115 3HZ LYS 115 11.331 14.004 -6.381 861 H VAL 116 H VAL 116 6.256 15.382 -9.847 862 HA VAL 116 HA VAL 116 4.313 14.376 -7.908 863 HB VAL 116 HB VAL 116 4.015 15.822 -10.524 864 1HG1 VAL 116 1HG1 VAL 116 1.909 14.477 -8.968 865 2HG1 VAL 116 2HG1 VAL 116 1.526 16.162 -9.337 866 3HG1 VAL 116 3HG1 VAL 116 1.943 15.060 -10.645 867 1HG2 VAL 116 1HG2 VAL 116 4.186 16.688 -7.683 868 2HG2 VAL 116 2HG2 VAL 116 4.679 17.522 -9.176 869 3HG2 VAL 116 3HG2 VAL 116 3.012 17.570 -8.688 870 H PHE 117 H PHE 117 5.252 12.247 -8.269 871 HA PHE 117 HA PHE 117 5.136 10.423 -10.255 872 1HB PHE 117 1HB PHE 117 5.692 9.761 -8.009 873 2HB PHE 117 2HB PHE 117 4.078 10.225 -7.427 874 HD1 PHE 117 HD1 PHE 117 5.761 7.914 -9.768 875 HD2 PHE 117 HD2 PHE 117 2.342 8.675 -7.276 876 HE1 PHE 117 HE1 PHE 117 4.885 5.645 -10.311 877 HE2 PHE 117 HE2 PHE 117 1.517 6.413 -7.675 878 HZ PHE 117 HZ PHE 117 2.740 4.937 -9.332 879 H CYS 118 H CYS 118 3.743 10.460 -11.937 880 HA CYS 118 HA CYS 118 0.917 10.942 -11.482 881 1HB CYS 118 1HB CYS 118 2.147 10.072 -14.113 882 2HB CYS 118 2HB CYS 118 0.686 11.002 -13.773 883 H GLY 119 H GLY 119 3.020 8.308 -12.558 884 1HA GLY 119 1HA GLY 119 1.893 6.184 -11.317 885 2HA GLY 119 2HA GLY 119 0.882 6.358 -12.778 886 H ILE 120 H ILE 120 1.596 4.518 -13.856 887 HA ILE 120 HA ILE 120 4.493 4.490 -14.564 888 HB ILE 120 HB ILE 120 2.858 2.034 -13.967 889 1HG1 ILE 120 1HG1 ILE 120 3.444 3.623 -11.861 890 2HG1 ILE 120 2HG1 ILE 120 3.478 1.886 -11.889 891 1HG2 ILE 120 1HG2 ILE 120 5.014 0.914 -14.027 892 2HG2 ILE 120 2HG2 ILE 120 4.804 1.797 -15.567 893 3HG2 ILE 120 3HG2 ILE 120 5.857 2.445 -14.341 894 1HD1 ILE 120 1HD1 ILE 120 5.905 3.580 -12.274 895 2HD1 ILE 120 2HD1 ILE 120 5.287 2.877 -10.735 896 3HD1 ILE 120 3HD1 ILE 120 5.831 1.787 -12.011 897 H ILE 121 H ILE 121 4.760 4.213 -16.675 898 HA ILE 121 HA ILE 121 2.349 3.533 -18.329 899 HB ILE 121 HB ILE 121 2.824 5.219 -19.836 900 1HG1 ILE 121 1HG1 ILE 121 5.479 5.663 -18.494 901 2HG1 ILE 121 2HG1 ILE 121 5.351 4.792 -19.986 902 1HG2 ILE 121 1HG2 ILE 121 3.305 6.378 -17.038 903 2HG2 ILE 121 2HG2 ILE 121 3.072 7.388 -18.433 904 3HG2 ILE 121 3HG2 ILE 121 1.806 6.265 -18.023 905 1HD1 ILE 121 1HD1 ILE 121 4.009 7.285 -20.348 906 2HD1 ILE 121 2HD1 ILE 121 5.748 7.507 -19.910 907 3HD1 ILE 121 3HD1 ILE 121 5.294 6.538 -21.278 908 H ALA 122 H ALA 122 2.772 2.528 -20.301 909 HA ALA 122 HA ALA 122 5.383 1.668 -21.106 910 1HB ALA 122 1HB ALA 122 4.601 0.236 -18.871 911 2HB ALA 122 2HB ALA 122 3.991 -0.802 -20.165 912 3HB ALA 122 3HB ALA 122 5.706 -0.337 -20.113 913 H HIS 123 H HIS 123 5.294 0.104 -22.889 914 HA HIS 123 HA HIS 123 2.798 0.479 -24.428 915 1HB HIS 123 1HB HIS 123 5.293 -0.797 -25.617 916 2HB HIS 123 2HB HIS 123 4.042 0.157 -26.381 917 HD1 HIS 123 HD1 HIS 123 4.700 2.627 -26.825 918 HD2 HIS 123 HD2 HIS 123 6.976 0.661 -23.844 919 HE1 HIS 123 HE1 HIS 123 6.598 4.245 -26.158 920 HE2 HIS 123 HE2 HIS 123 7.926 3.053 -24.253 921 H THR 124 H THR 124 1.485 -0.925 -23.481 922 HA THR 124 HA THR 124 2.168 -3.859 -23.521 923 HB THR 124 HB THR 124 -0.061 -3.930 -22.187 924 HG1 THR 124 HG1 THR 124 -0.438 -1.771 -23.017 925 1HG2 THR 124 1HG2 THR 124 1.790 -2.165 -20.634 926 2HG2 THR 124 2HG2 THR 124 1.083 -3.750 -20.266 927 3HG2 THR 124 3HG2 THR 124 2.521 -3.644 -21.301 928 H LYS 125 H LYS 125 1.920 -2.796 -25.920 929 HA LYS 125 HA LYS 125 -0.683 -3.891 -26.982 930 1HB LYS 125 1HB LYS 125 -0.294 -1.445 -27.347 931 2HB LYS 125 2HB LYS 125 1.119 -1.837 -28.326 932 1HG LYS 125 1HG LYS 125 -0.128 -2.291 -30.126 933 2HG LYS 125 2HG LYS 125 -1.136 -3.439 -29.270 934 1HD LYS 125 1HD LYS 125 -2.835 -2.092 -28.921 935 2HD LYS 125 2HD LYS 125 -1.865 -0.656 -28.602 936 1HE LYS 125 1HE LYS 125 -1.727 -1.669 -31.389 937 2HE LYS 125 2HE LYS 125 -3.310 -1.068 -30.903 938 1HZ LYS 125 1HZ LYS 125 -0.852 0.558 -30.445 939 2HZ LYS 125 2HZ LYS 125 -1.696 0.704 -31.823 940 3HZ LYS 125 3HZ LYS 125 -2.363 1.114 -30.421 941 H GLU 126 H GLU 126 2.756 -4.236 -26.902 942 HA GLU 126 HA GLU 126 2.672 -6.760 -28.046 943 1HB GLU 126 1HB GLU 126 2.631 -4.727 -30.096 944 2HB GLU 126 2HB GLU 126 4.250 -5.325 -30.049 945 1HG GLU 126 1HG GLU 126 2.683 -7.685 -29.872 946 2HG GLU 126 2HG GLU 126 1.786 -6.625 -30.968 947 H ASN 127 H ASN 127 4.971 -4.171 -28.516 948 HA ASN 127 HA ASN 127 6.704 -5.029 -26.304 949 1HB ASN 127 1HB ASN 127 7.159 -5.833 -29.150 950 2HB ASN 127 2HB ASN 127 8.502 -4.912 -28.486 951 1HD2 ASN 127 1HD2 ASN 127 9.440 -7.092 -29.083 952 2HD2 ASN 127 2HD2 ASN 127 9.465 -8.218 -27.693 953 H GLN 128 H GLN 128 6.400 -2.992 -29.174 954 HA GLN 128 HA GLN 128 6.994 -0.611 -27.637 955 1HB GLN 128 1HB GLN 128 9.221 -1.105 -28.044 956 2HB GLN 128 2HB GLN 128 8.927 -1.742 -29.659 957 1HG GLN 128 1HG GLN 128 8.859 0.331 -30.655 958 2HG GLN 128 2HG GLN 128 8.240 1.161 -29.206 959 1HE2 GLN 128 1HE2 GLN 128 11.090 -0.289 -30.660 960 2HE2 GLN 128 2HE2 GLN 128 12.227 0.732 -29.749 961 H GLY 129 H GLY 129 4.758 -0.400 -28.188 962 1HA GLY 129 1HA GLY 129 4.451 0.812 -30.965 963 2HA GLY 129 2HA GLY 129 3.189 -0.192 -30.244 964 H GLU 130 H GLU 130 1.791 0.792 -28.942 965 HA GLU 130 HA GLU 130 2.051 3.754 -28.653 966 1HB GLU 130 1HB GLU 130 -0.081 2.114 -29.277 967 2HB GLU 130 2HB GLU 130 -0.383 2.371 -27.577 968 1HG GLU 130 1HG GLU 130 -1.207 4.434 -28.003 969 2HG GLU 130 2HG GLU 130 0.360 4.950 -28.587 970 H LEU 131 H LEU 131 1.369 4.761 -26.537 971 HA LEU 131 HA LEU 131 2.403 3.126 -24.235 972 1HB LEU 131 1HB LEU 131 3.256 5.688 -25.311 973 2HB LEU 131 2HB LEU 131 2.526 5.971 -23.739 974 HG LEU 131 HG LEU 131 4.582 3.765 -24.202 975 1HD1 LEU 131 1HD1 LEU 131 4.942 6.705 -23.601 976 2HD1 LEU 131 2HD1 LEU 131 6.187 5.543 -23.110 977 3HD1 LEU 131 3HD1 LEU 131 5.763 5.801 -24.834 978 1HD2 LEU 131 1HD2 LEU 131 3.222 3.558 -22.233 979 2HD2 LEU 131 2HD2 LEU 131 4.937 3.898 -21.886 980 3HD2 LEU 131 3HD2 LEU 131 3.660 5.190 -21.789 981 H LYS 132 H LYS 132 1.317 3.252 -22.325 982 HA LYS 132 HA LYS 132 -1.146 4.858 -22.060 983 1HB LYS 132 1HB LYS 132 -2.479 2.817 -21.581 984 2HB LYS 132 2HB LYS 132 -2.075 3.022 -23.270 985 1HG LYS 132 1HG LYS 132 -0.898 1.084 -23.399 986 2HG LYS 132 2HG LYS 132 -0.022 1.383 -21.922 987 1HD LYS 132 1HD LYS 132 -1.126 -0.202 -20.924 988 2HD LYS 132 2HD LYS 132 -2.461 0.833 -20.796 989 1HE LYS 132 1HE LYS 132 -2.296 -0.383 -23.522 990 2HE LYS 132 2HE LYS 132 -2.395 -1.600 -22.247 991 1HZ LYS 132 1HZ LYS 132 -4.491 -0.128 -23.257 992 2HZ LYS 132 2HZ LYS 132 -4.520 -1.085 -21.910 993 3HZ LYS 132 3HZ LYS 132 -4.198 0.509 -21.762 994 H LEU 133 H LEU 133 -2.185 4.153 -19.928 995 HA LEU 133 HA LEU 133 -0.023 4.313 -17.913 996 1HB LEU 133 1HB LEU 133 -2.176 5.849 -18.019 997 2HB LEU 133 2HB LEU 133 -3.022 4.474 -17.391 998 HG LEU 133 HG LEU 133 -1.338 4.493 -15.434 999 1HD1 LEU 133 1HD1 LEU 133 -0.643 7.205 -16.614 1000 2HD1 LEU 133 2HD1 LEU 133 -0.068 6.599 -15.048 1001 3HD1 LEU 133 3HD1 LEU 133 0.447 5.817 -16.522 1002 1HD2 LEU 133 1HD2 LEU 133 -2.881 7.090 -15.793 1003 2HD2 LEU 133 2HD2 LEU 133 -3.654 5.542 -15.403 1004 3HD2 LEU 133 3HD2 LEU 133 -2.488 6.271 -14.269 1005 H CYS 134 H CYS 134 0.444 2.763 -16.482 1006 HA CYS 134 HA CYS 134 -0.416 0.015 -16.939 1007 1HB CYS 134 1HB CYS 134 1.042 1.274 -14.605 1008 2HB CYS 134 2HB CYS 134 0.987 -0.407 -14.978 1009 H SER 135 H SER 135 -0.933 -1.111 -14.640 1010 HA SER 135 HA SER 135 -2.979 0.306 -13.072 1011 1HB SER 135 1HB SER 135 -3.661 -1.632 -15.303 1012 2HB SER 135 2HB SER 135 -4.603 -1.693 -13.789 1013 HG SER 135 HG SER 135 -4.751 0.692 -14.157 1014 H HIS 136 H HIS 136 -2.582 -0.419 -11.205 1015 HA HIS 136 HA HIS 136 -0.958 -2.470 -10.349 1016 1HB HIS 136 1HB HIS 136 -3.480 -1.975 -8.800 1017 2HB HIS 136 2HB HIS 136 -1.847 -2.191 -8.242 1018 HD1 HIS 136 HD1 HIS 136 -4.356 0.377 -9.081 1019 HD2 HIS 136 HD2 HIS 136 -0.200 0.099 -8.675 1020 HE1 HIS 136 HE1 HIS 136 -3.498 2.849 -8.777 1021 HE2 HIS 136 HE2 HIS 136 -0.947 2.652 -8.521 Start of MODEL 8 1 1H ALA 1 H1 ALA 1 0.925 -0.912 0.136 2 2H ALA 1 H2 ALA 1 0.568 0.695 -0.030 3 3H ALA 1 H3 ALA 1 1.916 0.258 0.783 4 HA ALA 1 HA ALA 1 1.652 0.779 -1.915 5 1HB ALA 1 1HB ALA 1 3.834 1.239 -1.580 6 2HB ALA 1 2HB ALA 1 3.688 0.645 0.086 7 3HB ALA 1 3HB ALA 1 4.231 -0.445 -1.174 8 H VAL 2 H VAL 2 3.576 -0.996 -3.074 9 HA VAL 2 HA VAL 2 1.896 -2.982 -4.149 10 HB VAL 2 HB VAL 2 3.876 -2.128 -5.269 11 1HG1 VAL 2 1HG1 VAL 2 6.133 -3.028 -4.510 12 2HG1 VAL 2 2HG1 VAL 2 5.480 -1.680 -3.594 13 3HG1 VAL 2 3HG1 VAL 2 5.367 -3.318 -2.922 14 1HG2 VAL 2 1HG2 VAL 2 3.007 -4.452 -5.739 15 2HG2 VAL 2 2HG2 VAL 2 4.697 -4.185 -6.179 16 3HG2 VAL 2 3HG2 VAL 2 4.303 -5.076 -4.702 17 H THR 3 H THR 3 2.037 -5.292 -3.946 18 HA THR 3 HA THR 3 2.186 -6.100 -1.113 19 HB THR 3 HB THR 3 0.751 -6.951 -3.536 20 HG1 THR 3 HG1 THR 3 -0.643 -7.496 -1.822 21 1HG2 THR 3 1HG2 THR 3 2.155 -9.019 -3.258 22 2HG2 THR 3 2HG2 THR 3 1.706 -8.997 -1.539 23 3HG2 THR 3 3HG2 THR 3 0.485 -9.164 -2.891 24 H TRP 4 H TRP 4 4.006 -6.864 -0.238 25 HA TRP 4 HA TRP 4 6.169 -7.787 -1.998 26 1HB TRP 4 1HB TRP 4 5.980 -7.415 1.025 27 2HB TRP 4 2HB TRP 4 7.376 -7.837 0.089 28 HD1 TRP 4 HD1 TRP 4 4.845 -4.928 -0.138 29 HE1 TRP 4 HE1 TRP 4 6.177 -2.726 -0.542 30 HE3 TRP 4 HE3 TRP 4 9.532 -6.817 -0.136 31 HZ2 TRP 4 HZ2 TRP 4 8.907 -1.914 -0.770 32 HZ3 TRP 4 HZ3 TRP 4 11.505 -5.356 -0.395 33 HH2 TRP 4 HH2 TRP 4 11.206 -2.903 -0.692 34 H THR 5 H THR 5 6.815 -9.879 -2.206 35 HA THR 5 HA THR 5 5.302 -11.902 -0.543 36 HB THR 5 HB THR 5 5.325 -11.494 -3.471 37 HG1 THR 5 HG1 THR 5 3.848 -13.004 -1.636 38 1HG2 THR 5 1HG2 THR 5 4.920 -14.064 -3.686 39 2HG2 THR 5 2HG2 THR 5 6.598 -13.465 -3.728 40 3HG2 THR 5 3HG2 THR 5 5.907 -14.211 -2.245 41 H CYS 6 H CYS 6 6.409 -13.559 0.199 42 HA CYS 6 HA CYS 6 9.289 -13.746 -0.569 43 1HB CYS 6 1HB CYS 6 8.120 -13.132 2.050 44 2HB CYS 6 2HB CYS 6 9.016 -14.598 2.090 45 H GLY 7 H GLY 7 7.694 -15.155 -2.060 46 1HA GLY 7 1HA GLY 7 7.005 -17.288 -2.685 47 2HA GLY 7 2HA GLY 7 8.452 -17.818 -1.796 48 H GLY 8 H GLY 8 5.269 -16.453 -0.840 49 1HA GLY 8 1HA GLY 8 4.427 -18.890 0.472 50 2HA GLY 8 2HA GLY 8 4.997 -17.663 1.648 51 H LEU 9 H LEU 9 3.895 -15.593 1.707 52 HA LEU 9 HA LEU 9 1.202 -15.572 0.420 53 1HB LEU 9 1HB LEU 9 1.945 -14.943 3.302 54 2HB LEU 9 2HB LEU 9 0.424 -14.498 2.572 55 HG LEU 9 HG LEU 9 0.749 -17.314 2.018 56 1HD1 LEU 9 1HD1 LEU 9 2.089 -17.916 3.758 57 2HD1 LEU 9 2HD1 LEU 9 1.703 -16.507 4.756 58 3HD1 LEU 9 3HD1 LEU 9 0.573 -17.849 4.670 59 1HD2 LEU 9 1HD2 LEU 9 -1.355 -17.509 3.023 60 2HD2 LEU 9 2HD2 LEU 9 -1.121 -16.093 4.067 61 3HD2 LEU 9 3HD2 LEU 9 -1.353 -15.903 2.314 62 H LEU 10 H LEU 10 0.268 -13.417 0.370 63 HA LEU 10 HA LEU 10 2.308 -11.517 -0.568 64 1HB LEU 10 1HB LEU 10 -0.720 -11.778 -0.777 65 2HB LEU 10 2HB LEU 10 0.035 -10.274 -1.063 66 HG LEU 10 HG LEU 10 1.452 -11.283 -2.903 67 1HD1 LEU 10 1HD1 LEU 10 1.893 -13.473 -2.542 68 2HD1 LEU 10 2HD1 LEU 10 0.329 -13.828 -1.815 69 3HD1 LEU 10 3HD1 LEU 10 0.521 -13.730 -3.569 70 1HD2 LEU 10 1HD2 LEU 10 -1.414 -10.930 -2.943 71 2HD2 LEU 10 2HD2 LEU 10 -0.249 -10.761 -4.266 72 3HD2 LEU 10 3HD2 LEU 10 -1.023 -12.298 -3.978 73 H TYR 11 H TYR 11 3.007 -9.946 0.600 74 HA TYR 11 HA TYR 11 1.730 -9.185 3.181 75 1HB TYR 11 1HB TYR 11 4.598 -9.012 2.190 76 2HB TYR 11 2HB TYR 11 4.034 -8.396 3.714 77 HD1 TYR 11 HD1 TYR 11 5.511 -11.167 2.075 78 HD2 TYR 11 HD2 TYR 11 2.734 -10.156 5.240 79 HE1 TYR 11 HE1 TYR 11 5.875 -13.410 3.148 80 HE2 TYR 11 HE2 TYR 11 3.128 -12.367 6.289 81 HH TYR 11 HH TYR 11 4.260 -14.267 6.204 82 H ASN 12 H ASN 12 0.299 -7.665 2.391 83 HA ASN 12 HA ASN 12 0.948 -5.653 0.512 84 1HB ASN 12 1HB ASN 12 -1.353 -6.290 1.846 85 2HB ASN 12 2HB ASN 12 -0.861 -4.891 2.812 86 1HD2 ASN 12 1HD2 ASN 12 0.532 -3.605 0.559 87 2HD2 ASN 12 2HD2 ASN 12 -0.726 -3.002 -0.471 88 H GLN 13 H GLN 13 2.535 -4.106 0.600 89 HA GLN 13 HA GLN 13 3.872 -3.600 2.946 90 1HB GLN 13 1HB GLN 13 4.487 -2.879 0.567 91 2HB GLN 13 2HB GLN 13 3.390 -1.570 0.728 92 1HG GLN 13 1HG GLN 13 5.922 -1.058 1.143 93 2HG GLN 13 2HG GLN 13 4.775 -0.471 2.368 94 1HE2 GLN 13 1HE2 GLN 13 6.006 -3.786 1.718 95 2HE2 GLN 13 2HE2 GLN 13 6.689 -3.929 3.348 96 H ASN 14 H ASN 14 0.781 -2.547 2.219 97 HA ASN 14 HA ASN 14 0.778 -0.150 3.850 98 1HB ASN 14 1HB ASN 14 -1.068 -1.529 2.066 99 2HB ASN 14 2HB ASN 14 -1.794 -1.603 3.665 100 1HD2 ASN 14 1HD2 ASN 14 -3.462 -0.226 2.891 101 2HD2 ASN 14 2HD2 ASN 14 -3.136 1.501 2.732 102 H LYS 15 H LYS 15 0.723 -3.530 4.481 103 HA LYS 15 HA LYS 15 -0.168 -3.147 7.299 104 1HB LYS 15 1HB LYS 15 -0.368 -5.403 5.321 105 2HB LYS 15 2HB LYS 15 -0.178 -5.807 7.031 106 1HG LYS 15 1HG LYS 15 -2.241 -5.077 7.607 107 2HG LYS 15 2HG LYS 15 -2.202 -3.659 6.609 108 1HD LYS 15 1HD LYS 15 -2.390 -6.248 5.088 109 2HD LYS 15 2HD LYS 15 -3.784 -5.816 6.065 110 1HE LYS 15 1HE LYS 15 -3.833 -3.549 5.052 111 2HE LYS 15 2HE LYS 15 -2.507 -4.028 3.970 112 1HZ LYS 15 1HZ LYS 15 -4.834 -4.320 3.051 113 2HZ LYS 15 2HZ LYS 15 -3.910 -5.676 2.986 114 3HZ LYS 15 3HZ LYS 15 -5.054 -5.531 4.138 115 H ALA 16 H ALA 16 2.419 -4.417 5.130 116 HA ALA 16 HA ALA 16 4.002 -5.474 7.165 117 1HB ALA 16 1HB ALA 16 5.294 -3.930 4.999 118 2HB ALA 16 2HB ALA 16 5.642 -5.568 5.561 119 3HB ALA 16 3HB ALA 16 4.243 -5.284 4.497 120 H GLU 17 H GLU 17 3.728 -2.088 6.064 121 HA GLU 17 HA GLU 17 5.634 -1.212 8.099 122 1HB GLU 17 1HB GLU 17 5.427 0.928 7.153 123 2HB GLU 17 2HB GLU 17 5.415 -0.198 5.793 124 1HG GLU 17 1HG GLU 17 2.841 -0.049 5.882 125 2HG GLU 17 2HG GLU 17 3.028 1.227 7.020 126 H SER 18 H SER 18 2.123 -0.886 7.409 127 HA SER 18 HA SER 18 1.473 0.704 9.639 128 1HB SER 18 1HB SER 18 -0.091 0.355 7.831 129 2HB SER 18 2HB SER 18 -0.227 -1.379 8.301 130 HG SER 18 HG SER 18 -1.940 -0.247 9.093 131 H ASN 19 H ASN 19 1.119 -2.878 9.279 132 HA ASN 19 HA ASN 19 0.333 -3.568 11.831 133 1HB ASN 19 1HB ASN 19 0.745 -5.135 9.822 134 2HB ASN 19 2HB ASN 19 2.444 -5.062 10.386 135 1HD2 ASN 19 1HD2 ASN 19 -0.816 -5.346 11.749 136 2HD2 ASN 19 2HD2 ASN 19 -0.403 -6.758 12.753 137 H SER 20 H SER 20 3.444 -2.417 10.731 138 HA SER 20 HA SER 20 4.750 -3.040 13.265 139 1HB SER 20 1HB SER 20 6.590 -3.032 12.037 140 2HB SER 20 2HB SER 20 5.604 -2.641 10.601 141 HG SER 20 HG SER 20 7.263 -1.137 10.867 142 H HIS 21 H HIS 21 3.501 -0.264 11.472 143 HA HIS 21 HA HIS 21 4.529 1.921 12.810 144 1HB HIS 21 1HB HIS 21 1.743 1.426 11.661 145 2HB HIS 21 2HB HIS 21 2.071 2.869 12.508 146 HD1 HIS 21 HD1 HIS 21 1.626 4.161 10.233 147 HD2 HIS 21 HD2 HIS 21 4.977 1.583 10.305 148 HE1 HIS 21 HE1 HIS 21 3.084 4.756 8.153 149 HE2 HIS 21 HE2 HIS 21 5.086 3.170 8.188 150 H HIS 22 H HIS 22 2.059 -0.379 14.006 151 HA HIS 22 HA HIS 22 1.554 1.104 16.384 152 1HB HIS 22 1HB HIS 22 0.967 -1.789 16.343 153 2HB HIS 22 2HB HIS 22 -0.064 -0.426 16.725 154 HD1 HIS 22 HD1 HIS 22 -0.432 -3.076 14.782 155 HD2 HIS 22 HD2 HIS 22 -0.076 0.978 13.759 156 HE1 HIS 22 HE1 HIS 22 -1.554 -2.825 12.477 157 HE2 HIS 22 HE2 HIS 22 -1.290 -0.310 11.809 158 H ALA 23 H ALA 23 3.493 -1.786 15.526 159 HA ALA 23 HA ALA 23 4.402 -2.673 17.838 160 1HB ALA 23 1HB ALA 23 5.093 -3.095 15.256 161 2HB ALA 23 2HB ALA 23 6.542 -2.255 15.837 162 3HB ALA 23 3HB ALA 23 5.926 -3.713 16.653 163 HA PRO 24 HA PRO 24 6.325 0.912 19.630 164 1HB PRO 24 1HB PRO 24 7.561 -0.387 21.809 165 2HB PRO 24 2HB PRO 24 5.844 0.159 21.723 166 1HG PRO 24 1HG PRO 24 7.001 -2.488 21.521 167 2HG PRO 24 2HG PRO 24 5.291 -2.067 21.963 168 1HD PRO 24 1HD PRO 24 6.233 -3.097 19.482 169 2HD PRO 24 2HD PRO 24 4.626 -2.459 19.848 170 H LEU 25 H LEU 25 8.108 1.868 18.904 171 HA LEU 25 HA LEU 25 10.222 0.482 17.690 172 1HB LEU 25 1HB LEU 25 9.281 3.141 17.781 173 2HB LEU 25 2HB LEU 25 10.816 3.259 18.595 174 HG LEU 25 HG LEU 25 12.052 2.515 16.706 175 1HD1 LEU 25 1HD1 LEU 25 10.987 0.715 15.810 176 2HD1 LEU 25 2HD1 LEU 25 9.421 1.523 15.744 177 3HD1 LEU 25 3HD1 LEU 25 10.826 1.912 14.615 178 1HD2 LEU 25 1HD2 LEU 25 11.023 4.072 14.928 179 2HD2 LEU 25 2HD2 LEU 25 9.848 4.521 16.121 180 3HD2 LEU 25 3HD2 LEU 25 11.589 4.776 16.422 181 H SER 26 H SER 26 10.923 -1.066 19.100 182 HA SER 26 HA SER 26 13.162 -0.351 20.687 183 1HB SER 26 1HB SER 26 10.456 -0.726 21.994 184 2HB SER 26 2HB SER 26 11.892 -1.525 22.767 185 HG SER 26 HG SER 26 11.126 1.077 22.872 186 H ASP 27 H ASP 27 14.110 -2.262 21.698 187 HA ASP 27 HA ASP 27 13.478 -4.712 20.110 188 1HB ASP 27 1HB ASP 27 15.680 -4.430 19.765 189 2HB ASP 27 2HB ASP 27 15.916 -3.543 21.254 190 H GLY 28 H GLY 28 12.791 -6.509 21.122 191 1HA GLY 28 1HA GLY 28 11.742 -7.712 22.819 192 2HA GLY 28 2HA GLY 28 13.384 -7.594 23.550 193 H LYS 29 H LYS 29 10.318 -5.846 23.211 194 HA LYS 29 HA LYS 29 10.297 -5.219 26.068 195 1HB LYS 29 1HB LYS 29 11.032 -3.192 23.984 196 2HB LYS 29 2HB LYS 29 9.777 -2.681 25.099 197 1HG LYS 29 1HG LYS 29 11.534 -3.786 26.896 198 2HG LYS 29 2HG LYS 29 12.665 -3.303 25.639 199 1HD LYS 29 1HD LYS 29 12.412 -1.109 26.082 200 2HD LYS 29 2HD LYS 29 10.660 -1.195 26.307 201 1HE LYS 29 1HE LYS 29 10.729 -1.709 28.524 202 2HE LYS 29 2HE LYS 29 12.308 -2.509 28.427 203 1HZ LYS 29 1HZ LYS 29 12.210 0.350 27.872 204 2HZ LYS 29 2HZ LYS 29 12.126 -0.128 29.452 205 3HZ LYS 29 3HZ LYS 29 13.420 -0.536 28.514 206 H THR 30 H THR 30 8.761 -6.763 24.126 207 HA THR 30 HA THR 30 6.095 -5.488 24.641 208 HB THR 30 HB THR 30 5.423 -6.287 22.424 209 HG1 THR 30 HG1 THR 30 8.066 -7.006 22.082 210 1HG2 THR 30 1HG2 THR 30 7.945 -5.124 21.458 211 2HG2 THR 30 2HG2 THR 30 6.254 -4.594 21.327 212 3HG2 THR 30 3HG2 THR 30 7.206 -4.185 22.770 213 H GLY 31 H GLY 31 4.437 -6.953 25.037 214 1HA GLY 31 1HA GLY 31 4.787 -8.964 26.816 215 2HA GLY 31 2HA GLY 31 3.471 -8.994 25.629 216 H SER 32 H SER 32 4.184 -9.661 23.356 217 HA SER 32 HA SER 32 5.017 -12.412 23.590 218 1HB SER 32 1HB SER 32 3.531 -11.691 21.788 219 2HB SER 32 2HB SER 32 4.811 -10.570 21.138 220 HG SER 32 HG SER 32 5.941 -12.226 20.443 221 H SER 33 H SER 33 6.657 -9.561 22.108 222 HA SER 33 HA SER 33 9.092 -9.676 23.075 223 1HB SER 33 1HB SER 33 8.770 -12.015 21.260 224 2HB SER 33 2HB SER 33 10.266 -11.111 21.058 225 HG SER 33 HG SER 33 10.039 -11.414 23.622 226 H TYR 34 H TYR 34 7.947 -10.224 19.725 227 HA TYR 34 HA TYR 34 9.574 -8.397 18.543 228 1HB TYR 34 1HB TYR 34 6.799 -9.243 17.735 229 2HB TYR 34 2HB TYR 34 7.999 -8.512 16.705 230 HD1 TYR 34 HD1 TYR 34 7.009 -11.555 18.551 231 HD2 TYR 34 HD2 TYR 34 9.889 -9.857 15.835 232 HE1 TYR 34 HE1 TYR 34 7.943 -13.818 18.112 233 HE2 TYR 34 HE2 TYR 34 10.781 -12.175 15.379 234 HH TYR 34 HH TYR 34 9.804 -14.925 17.191 235 HA PRO 35 HA PRO 35 9.485 -6.978 16.815 236 1HB PRO 35 1HB PRO 35 10.644 -4.495 16.547 237 2HB PRO 35 2HB PRO 35 9.226 -5.083 15.676 238 1HG PRO 35 1HG PRO 35 9.353 -3.148 17.905 239 2HG PRO 35 2HG PRO 35 8.100 -3.406 16.679 240 1HD PRO 35 1HD PRO 35 8.100 -4.283 19.420 241 2HD PRO 35 2HD PRO 35 6.843 -4.663 18.211 242 H HIS 36 H HIS 36 11.901 -6.727 16.653 243 HA HIS 36 HA HIS 36 13.215 -6.384 19.238 244 1HB HIS 36 1HB HIS 36 14.355 -8.546 19.075 245 2HB HIS 36 2HB HIS 36 12.630 -8.682 19.425 246 HD1 HIS 36 HD1 HIS 36 14.929 -10.583 17.750 247 HD2 HIS 36 HD2 HIS 36 11.466 -8.648 16.408 248 HE1 HIS 36 HE1 HIS 36 14.118 -11.862 15.641 249 HE2 HIS 36 HE2 HIS 36 11.982 -10.618 14.914 250 H TRP 37 H TRP 37 15.682 -6.833 18.917 251 HA TRP 37 HA TRP 37 16.463 -4.988 16.767 252 1HB TRP 37 1HB TRP 37 17.676 -4.959 18.860 253 2HB TRP 37 2HB TRP 37 17.970 -6.678 18.775 254 HD1 TRP 37 HD1 TRP 37 18.742 -3.867 16.209 255 HE1 TRP 37 HE1 TRP 37 21.204 -4.088 15.493 256 HE3 TRP 37 HE3 TRP 37 20.013 -7.792 19.099 257 HZ2 TRP 37 HZ2 TRP 37 23.449 -5.736 16.111 258 HZ3 TRP 37 HZ3 TRP 37 22.342 -8.722 19.052 259 HH2 TRP 37 HH2 TRP 37 23.976 -7.692 17.532 260 H PHE 38 H PHE 38 17.403 -5.427 14.908 261 HA PHE 38 HA PHE 38 17.469 -8.239 13.937 262 1HB PHE 38 1HB PHE 38 15.638 -6.723 13.034 263 2HB PHE 38 2HB PHE 38 16.867 -5.654 12.462 264 HD1 PHE 38 HD1 PHE 38 16.114 -9.301 12.299 265 HD2 PHE 38 HD2 PHE 38 17.537 -5.835 10.188 266 HE1 PHE 38 HE1 PHE 38 16.256 -10.647 10.285 267 HE2 PHE 38 HE2 PHE 38 17.614 -7.199 8.097 268 HZ PHE 38 HZ PHE 38 17.124 -9.521 8.144 269 H THR 39 H THR 39 19.672 -8.221 14.755 270 HA THR 39 HA THR 39 21.808 -6.634 14.203 271 HB THR 39 HB THR 39 23.136 -8.678 14.144 272 HG1 THR 39 HG1 THR 39 22.127 -10.644 13.806 273 1HG2 THR 39 1HG2 THR 39 21.241 -8.200 16.084 274 2HG2 THR 39 2HG2 THR 39 20.985 -9.864 15.847 275 3HG2 THR 39 3HG2 THR 39 22.631 -9.315 16.253 276 H ASN 40 H ASN 40 20.013 -8.513 11.852 277 HA ASN 40 HA ASN 40 19.893 -8.381 9.571 278 1HB ASN 40 1HB ASN 40 20.199 -5.848 10.024 279 2HB ASN 40 2HB ASN 40 21.918 -6.096 9.663 280 1HD2 ASN 40 1HD2 ASN 40 22.599 -6.657 7.661 281 2HD2 ASN 40 2HD2 ASN 40 21.588 -6.397 6.222 282 H GLY 41 H GLY 41 22.315 -9.437 11.368 283 1HA GLY 41 1HA GLY 41 23.636 -11.328 10.420 284 2HA GLY 41 2HA GLY 41 24.094 -10.209 9.118 285 H TYR 42 H TYR 42 23.963 -8.165 11.692 286 HA TYR 42 HA TYR 42 26.830 -8.132 12.004 287 1HB TYR 42 1HB TYR 42 24.490 -6.571 13.153 288 2HB TYR 42 2HB TYR 42 26.110 -6.204 13.584 289 HD1 TYR 42 HD1 TYR 42 26.921 -4.344 12.553 290 HD2 TYR 42 HD2 TYR 42 24.312 -6.841 10.222 291 HE1 TYR 42 HE1 TYR 42 27.257 -2.903 10.561 292 HE2 TYR 42 HE2 TYR 42 24.595 -5.367 8.294 293 HH TYR 42 HH TYR 42 25.520 -2.417 8.291 294 H ASP 43 H ASP 43 27.585 -7.661 14.361 295 HA ASP 43 HA ASP 43 26.731 -9.995 16.032 296 1HB ASP 43 1HB ASP 43 29.246 -8.545 15.495 297 2HB ASP 43 2HB ASP 43 28.909 -8.635 17.218 298 H GLY 44 H GLY 44 27.217 -6.472 16.108 299 1HA GLY 44 1HA GLY 44 25.127 -6.021 18.032 300 2HA GLY 44 2HA GLY 44 26.717 -5.929 18.794 301 H ASP 45 H ASP 45 28.227 -4.361 17.918 302 HA ASP 45 HA ASP 45 26.843 -1.926 16.887 303 1HB ASP 45 1HB ASP 45 29.101 -2.494 18.742 304 2HB ASP 45 2HB ASP 45 29.523 -1.318 17.508 305 H GLY 46 H GLY 46 30.024 -3.561 16.539 306 1HA GLY 46 1HA GLY 46 30.693 -2.288 14.073 307 2HA GLY 46 2HA GLY 46 31.463 -3.775 14.744 308 H LYS 47 H LYS 47 31.158 -3.584 12.085 309 HA LYS 47 HA LYS 47 28.778 -4.612 10.989 310 1HB LYS 47 1HB LYS 47 30.032 -5.105 8.998 311 2HB LYS 47 2HB LYS 47 30.458 -3.532 9.655 312 1HG LYS 47 1HG LYS 47 32.270 -5.315 10.946 313 2HG LYS 47 2HG LYS 47 32.084 -5.999 9.334 314 1HD LYS 47 1HD LYS 47 32.436 -3.367 8.661 315 2HD LYS 47 2HD LYS 47 33.233 -3.377 10.252 316 1HE LYS 47 1HE LYS 47 34.455 -5.518 9.316 317 2HE LYS 47 2HE LYS 47 33.861 -4.973 7.736 318 1HZ LYS 47 1HZ LYS 47 35.602 -3.579 7.704 319 2HZ LYS 47 2HZ LYS 47 34.951 -2.756 8.967 320 3HZ LYS 47 3HZ LYS 47 36.036 -3.960 9.248 321 H LEU 48 H LEU 48 29.200 -6.829 9.614 322 HA LEU 48 HA LEU 48 28.750 -8.794 11.642 323 1HB LEU 48 1HB LEU 48 29.379 -9.702 8.849 324 2HB LEU 48 2HB LEU 48 28.159 -10.185 9.982 325 HG LEU 48 HG LEU 48 27.219 -7.662 9.489 326 1HD1 LEU 48 1HD1 LEU 48 27.888 -6.770 7.493 327 2HD1 LEU 48 2HD1 LEU 48 29.389 -7.646 7.817 328 3HD1 LEU 48 3HD1 LEU 48 28.239 -8.370 6.752 329 1HD2 LEU 48 1HD2 LEU 48 25.520 -8.697 8.732 330 2HD2 LEU 48 2HD2 LEU 48 26.299 -9.279 7.284 331 3HD2 LEU 48 3HD2 LEU 48 26.417 -10.229 8.693 332 HA PRO 49 HA PRO 49 32.787 -10.273 12.309 333 1HB PRO 49 1HB PRO 49 32.320 -13.003 12.819 334 2HB PRO 49 2HB PRO 49 32.057 -11.652 13.965 335 1HG PRO 49 1HG PRO 49 30.054 -13.258 12.435 336 2HG PRO 49 2HG PRO 49 29.820 -12.334 13.915 337 1HD PRO 49 1HD PRO 49 29.136 -11.545 11.285 338 2HD PRO 49 2HD PRO 49 29.029 -10.546 12.749 339 H LYS 50 H LYS 50 34.316 -12.166 11.699 340 HA LYS 50 HA LYS 50 34.672 -12.084 8.871 341 1HB LYS 50 1HB LYS 50 36.635 -12.322 9.945 342 2HB LYS 50 2HB LYS 50 36.023 -13.456 11.153 343 1HG LYS 50 1HG LYS 50 36.243 -15.315 9.780 344 2HG LYS 50 2HG LYS 50 36.090 -14.385 8.283 345 1HD LYS 50 1HD LYS 50 38.476 -13.568 9.728 346 2HD LYS 50 2HD LYS 50 38.412 -15.338 9.564 347 1HE LYS 50 1HE LYS 50 37.792 -14.902 7.071 348 2HE LYS 50 2HE LYS 50 38.257 -13.217 7.364 349 1HZ LYS 50 1HZ LYS 50 40.351 -13.901 7.000 350 2HZ LYS 50 2HZ LYS 50 40.289 -14.764 8.400 351 3HZ LYS 50 3HZ LYS 50 39.919 -15.492 6.980 352 H GLY 51 H GLY 51 32.814 -12.746 7.895 353 1HA GLY 51 1HA GLY 51 32.210 -14.749 6.475 354 2HA GLY 51 2HA GLY 51 32.243 -15.701 7.997 355 H ARG 52 H ARG 52 30.464 -13.353 6.092 356 HA ARG 52 HA ARG 52 27.980 -14.223 7.103 357 1HB ARG 52 1HB ARG 52 29.297 -12.059 8.628 358 2HB ARG 52 2HB ARG 52 27.854 -11.474 7.863 359 1HG ARG 52 1HG ARG 52 27.792 -14.120 9.385 360 2HG ARG 52 2HG ARG 52 27.704 -12.612 10.253 361 1HD ARG 52 1HD ARG 52 25.520 -12.665 9.926 362 2HD ARG 52 2HD ARG 52 25.820 -12.238 8.235 363 HE ARG 52 HE ARG 52 26.118 -15.000 8.372 364 1HH1 ARG 52 2HH2 ARG 52 23.584 -12.775 9.070 365 2HH1 ARG 52 1HH2 ARG 52 22.285 -13.880 8.711 366 1HH2 ARG 52 2HH1 ARG 52 24.474 -16.454 7.884 367 2HH2 ARG 52 1HH1 ARG 52 22.824 -15.979 8.041 368 H THR 53 H THR 53 26.182 -13.015 6.191 369 HA THR 53 HA THR 53 26.921 -11.252 3.928 370 HB THR 53 HB THR 53 25.522 -13.879 3.621 371 HG1 THR 53 HG1 THR 53 27.459 -14.333 2.839 372 1HG2 THR 53 1HG2 THR 53 25.761 -13.017 1.120 373 2HG2 THR 53 2HG2 THR 53 24.322 -12.573 2.067 374 3HG2 THR 53 3HG2 THR 53 25.660 -11.411 1.866 375 HA PRO 54 HA PRO 54 23.264 -9.614 6.050 376 1HB PRO 54 1HB PRO 54 23.794 -6.926 5.411 377 2HB PRO 54 2HB PRO 54 24.383 -7.799 6.860 378 1HG PRO 54 1HG PRO 54 25.887 -6.972 4.418 379 2HG PRO 54 2HG PRO 54 26.428 -7.352 6.046 380 1HD PRO 54 1HD PRO 54 26.506 -9.048 3.727 381 2HD PRO 54 2HD PRO 54 27.001 -9.510 5.360 382 H ILE 55 H ILE 55 21.326 -8.913 5.272 383 HA ILE 55 HA ILE 55 20.844 -9.437 2.482 384 HB ILE 55 HB ILE 55 18.948 -8.165 4.522 385 1HG1 ILE 55 1HG1 ILE 55 19.773 -11.072 4.026 386 2HG1 ILE 55 2HG1 ILE 55 19.679 -10.168 5.550 387 1HG2 ILE 55 1HG2 ILE 55 17.237 -8.877 3.046 388 2HG2 ILE 55 2HG2 ILE 55 18.407 -8.107 2.020 389 3HG2 ILE 55 3HG2 ILE 55 18.323 -9.896 2.087 390 1HD1 ILE 55 1HD1 ILE 55 17.129 -9.994 4.887 391 2HD1 ILE 55 2HD1 ILE 55 17.492 -11.463 3.987 392 3HD1 ILE 55 3HD1 ILE 55 17.770 -11.403 5.732 393 H LYS 56 H LYS 56 21.256 -8.091 0.881 394 HA LYS 56 HA LYS 56 21.664 -5.207 1.443 395 1HB LYS 56 1HB LYS 56 23.284 -5.994 0.014 396 2HB LYS 56 2HB LYS 56 22.229 -7.088 -0.865 397 1HG LYS 56 1HG LYS 56 21.885 -4.057 -1.026 398 2HG LYS 56 2HG LYS 56 23.031 -4.923 -2.053 399 1HD LYS 56 1HD LYS 56 20.698 -6.457 -2.349 400 2HD LYS 56 2HD LYS 56 20.061 -4.816 -2.234 401 1HE LYS 56 1HE LYS 56 22.273 -5.671 -4.104 402 2HE LYS 56 2HE LYS 56 20.540 -5.626 -4.529 403 1HZ LYS 56 1HZ LYS 56 20.932 -3.487 -5.037 404 2HZ LYS 56 2HZ LYS 56 21.000 -3.192 -3.416 405 3HZ LYS 56 3HZ LYS 56 22.388 -3.448 -4.252 406 H PHE 57 H PHE 57 20.247 -3.712 1.120 407 HA PHE 57 HA PHE 57 17.645 -4.335 -0.225 408 1HB PHE 57 1HB PHE 57 18.267 -2.059 1.669 409 2HB PHE 57 2HB PHE 57 16.693 -2.709 1.231 410 HD1 PHE 57 HD1 PHE 57 19.830 -3.241 3.226 411 HD2 PHE 57 HD2 PHE 57 15.825 -4.521 2.481 412 HE1 PHE 57 HE1 PHE 57 19.890 -4.670 5.253 413 HE2 PHE 57 HE2 PHE 57 15.922 -6.034 4.529 414 HZ PHE 57 HZ PHE 57 17.949 -6.117 5.834 415 H GLY 58 H GLY 58 19.904 -1.636 0.276 416 1HA GLY 58 1HA GLY 58 20.734 -0.653 -1.944 417 2HA GLY 58 2HA GLY 58 18.990 -0.428 -2.284 418 H LYS 59 H LYS 59 18.977 -0.037 0.896 419 HA LYS 59 HA LYS 59 19.317 2.894 0.685 420 1HB LYS 59 1HB LYS 59 17.744 1.009 2.501 421 2HB LYS 59 2HB LYS 59 18.165 2.599 3.045 422 1HG LYS 59 1HG LYS 59 16.732 2.072 0.400 423 2HG LYS 59 2HG LYS 59 15.893 2.426 1.906 424 1HD LYS 59 1HD LYS 59 15.996 4.580 1.235 425 2HD LYS 59 2HD LYS 59 17.637 4.556 1.844 426 1HE LYS 59 1HE LYS 59 18.607 4.698 -0.171 427 2HE LYS 59 2HE LYS 59 17.538 3.475 -0.861 428 1HZ LYS 59 1HZ LYS 59 15.844 5.483 -0.588 429 2HZ LYS 59 2HZ LYS 59 17.210 6.361 -0.806 430 3HZ LYS 59 3HZ LYS 59 16.736 5.273 -1.959 431 H SER 60 H SER 60 20.718 4.059 1.680 432 HA SER 60 HA SER 60 23.014 2.652 2.792 433 1HB SER 60 1HB SER 60 22.375 5.417 1.899 434 2HB SER 60 2HB SER 60 23.500 5.326 3.273 435 HG SER 60 HG SER 60 24.667 5.188 1.365 436 H ASP 61 H ASP 61 20.055 3.317 4.076 437 HA ASP 61 HA ASP 61 20.905 4.319 6.672 438 1HB ASP 61 1HB ASP 61 18.141 3.239 6.227 439 2HB ASP 61 2HB ASP 61 18.691 4.635 7.156 440 H CYS 62 H CYS 62 19.281 1.414 5.292 441 HA CYS 62 HA CYS 62 19.560 -0.072 7.766 442 1HB CYS 62 1HB CYS 62 19.118 -1.444 5.140 443 2HB CYS 62 2HB CYS 62 18.353 -1.740 6.681 444 H ASP 63 H ASP 63 21.332 0.267 4.684 445 HA ASP 63 HA ASP 63 23.117 -1.932 4.995 446 1HB ASP 63 1HB ASP 63 22.915 -0.706 2.886 447 2HB ASP 63 2HB ASP 63 23.442 0.795 3.684 448 H ARG 64 H ARG 64 23.201 1.455 6.151 449 HA ARG 64 HA ARG 64 25.738 1.583 7.066 450 1HB ARG 64 1HB ARG 64 25.027 3.540 7.972 451 2HB ARG 64 2HB ARG 64 23.454 3.116 7.360 452 1HG ARG 64 1HG ARG 64 22.819 2.026 9.482 453 2HG ARG 64 2HG ARG 64 24.366 2.504 10.151 454 1HD ARG 64 1HD ARG 64 22.436 3.896 10.703 455 2HD ARG 64 2HD ARG 64 24.041 4.624 10.291 456 HE ARG 64 HE ARG 64 22.113 4.295 8.143 457 1HH1 ARG 64 2HH2 ARG 64 23.479 6.473 10.412 458 2HH1 ARG 64 1HH2 ARG 64 22.954 7.938 9.611 459 1HH2 ARG 64 2HH1 ARG 64 21.455 6.165 7.030 460 2HH2 ARG 64 1HH1 ARG 64 21.812 7.723 7.664 461 HA PRO 65 HA PRO 65 26.112 -1.141 10.391 462 1HB PRO 65 1HB PRO 65 27.773 0.239 12.204 463 2HB PRO 65 2HB PRO 65 28.265 -0.667 10.731 464 1HG PRO 65 1HG PRO 65 28.106 2.277 11.134 465 2HG PRO 65 2HG PRO 65 29.032 1.335 9.906 466 1HD PRO 65 1HD PRO 65 26.551 2.716 9.561 467 2HD PRO 65 2HD PRO 65 27.414 1.721 8.363 468 HA PRO 66 HA PRO 66 22.990 0.180 13.322 469 1HB PRO 66 1HB PRO 66 22.864 -2.185 14.819 470 2HB PRO 66 2HB PRO 66 22.059 -1.909 13.225 471 1HG PRO 66 1HG PRO 66 24.428 -3.583 13.808 472 2HG PRO 66 2HG PRO 66 23.278 -3.624 12.410 473 1HD PRO 66 1HD PRO 66 25.869 -2.378 12.554 474 2HD PRO 66 2HD PRO 66 24.665 -2.387 11.194 475 H LYS 67 H LYS 67 22.675 0.221 15.738 476 HA LYS 67 HA LYS 67 25.282 0.327 17.224 477 1HB LYS 67 1HB LYS 67 24.890 2.533 16.345 478 2HB LYS 67 2HB LYS 67 23.306 2.654 17.118 479 1HG LYS 67 1HG LYS 67 24.202 3.301 19.017 480 2HG LYS 67 2HG LYS 67 25.244 1.880 19.105 481 1HD LYS 67 1HD LYS 67 27.087 2.935 18.349 482 2HD LYS 67 2HD LYS 67 26.228 3.903 17.153 483 1HE LYS 67 1HE LYS 67 26.804 5.578 18.572 484 2HE LYS 67 2HE LYS 67 25.191 5.158 19.191 485 1HZ LYS 67 1HZ LYS 67 26.419 3.607 20.742 486 2HZ LYS 67 2HZ LYS 67 27.806 4.318 20.289 487 3HZ LYS 67 3HZ LYS 67 26.644 5.216 21.054 488 H HIS 68 H HIS 68 23.941 -1.784 17.644 489 HA HIS 68 HA HIS 68 21.727 -1.338 19.630 490 1HB HIS 68 1HB HIS 68 21.374 -3.142 18.136 491 2HB HIS 68 2HB HIS 68 23.011 -3.781 18.314 492 HD1 HIS 68 HD1 HIS 68 23.492 -5.361 20.279 493 HD2 HIS 68 HD2 HIS 68 19.603 -3.680 20.273 494 HE1 HIS 68 HE1 HIS 68 22.112 -6.631 22.067 495 HE2 HIS 68 HE2 HIS 68 19.742 -5.581 22.049 496 H SER 69 H SER 69 21.887 -2.535 21.685 497 HA SER 69 HA SER 69 24.562 -2.919 22.812 498 1HB SER 69 1HB SER 69 23.274 -0.355 23.026 499 2HB SER 69 2HB SER 69 23.235 -1.113 24.616 500 HG SER 69 HG SER 69 25.187 -0.179 24.521 501 H LYS 70 H LYS 70 23.837 -2.784 25.504 502 HA LYS 70 HA LYS 70 22.068 -5.180 25.671 503 1HB LYS 70 1HB LYS 70 24.455 -4.260 27.035 504 2HB LYS 70 2HB LYS 70 23.208 -4.361 28.239 505 1HG LYS 70 1HG LYS 70 23.389 -6.666 26.300 506 2HG LYS 70 2HG LYS 70 24.660 -6.481 27.506 507 1HD LYS 70 1HD LYS 70 22.909 -6.383 29.311 508 2HD LYS 70 2HD LYS 70 21.663 -6.605 28.065 509 1HE LYS 70 1HE LYS 70 23.249 -8.710 27.450 510 2HE LYS 70 2HE LYS 70 23.704 -8.556 29.158 511 1HZ LYS 70 1HZ LYS 70 21.680 -10.008 28.560 512 2HZ LYS 70 2HZ LYS 70 21.496 -8.955 29.811 513 3HZ LYS 70 3HZ LYS 70 20.866 -8.594 28.341 514 H ASP 71 H ASP 71 20.301 -3.824 24.960 515 HA ASP 71 HA ASP 71 18.534 -3.292 27.126 516 1HB ASP 71 1HB ASP 71 20.263 -1.027 26.354 517 2HB ASP 71 2HB ASP 71 18.591 -0.657 26.010 518 H GLY 72 H GLY 72 19.461 -2.314 23.820 519 1HA GLY 72 1HA GLY 72 18.045 -3.335 22.011 520 2HA GLY 72 2HA GLY 72 16.647 -2.741 22.963 521 H ASN 73 H ASN 73 16.587 -0.364 23.377 522 HA ASN 73 HA ASN 73 17.748 1.220 21.109 523 1HB ASN 73 1HB ASN 73 15.596 2.602 21.461 524 2HB ASN 73 2HB ASN 73 15.414 1.181 20.599 525 1HD2 ASN 73 1HD2 ASN 73 14.354 2.956 23.138 526 2HD2 ASN 73 2HD2 ASN 73 13.373 1.675 23.911 527 H GLY 74 H GLY 74 19.387 1.199 23.075 528 1HA GLY 74 1HA GLY 74 18.926 2.672 25.445 529 2HA GLY 74 2HA GLY 74 20.485 2.564 24.579 530 H LYS 75 H LYS 75 21.228 4.287 23.524 531 HA LYS 75 HA LYS 75 19.789 6.859 23.924 532 1HB LYS 75 1HB LYS 75 22.517 6.038 22.793 533 2HB LYS 75 2HB LYS 75 21.894 7.684 22.540 534 1HG LYS 75 1HG LYS 75 21.425 7.379 25.244 535 2HG LYS 75 2HG LYS 75 22.908 6.432 25.025 536 1HD LYS 75 1HD LYS 75 23.978 8.379 23.921 537 2HD LYS 75 2HD LYS 75 22.472 9.303 24.038 538 1HE LYS 75 1HE LYS 75 23.444 8.129 26.610 539 2HE LYS 75 2HE LYS 75 24.516 9.351 25.903 540 1HZ LYS 75 1HZ LYS 75 21.868 10.261 25.725 541 2HZ LYS 75 2HZ LYS 75 22.113 9.785 27.269 542 3HZ LYS 75 3HZ LYS 75 23.100 10.917 26.590 543 H THR 76 H THR 76 21.406 6.623 20.951 544 HA THR 76 HA THR 76 18.770 6.839 19.555 545 HB THR 76 HB THR 76 20.743 8.708 19.629 546 HG1 THR 76 HG1 THR 76 18.595 8.806 18.821 547 1HG2 THR 76 1HG2 THR 76 22.151 7.030 18.090 548 2HG2 THR 76 2HG2 THR 76 21.070 7.699 16.850 549 3HG2 THR 76 3HG2 THR 76 22.135 8.773 17.735 550 H ASP 77 H ASP 77 20.350 4.342 20.334 551 HA ASP 77 HA ASP 77 21.771 3.082 18.502 552 1HB ASP 77 1HB ASP 77 19.200 2.000 19.754 553 2HB ASP 77 2HB ASP 77 20.432 1.032 18.974 554 H HIS 78 H HIS 78 21.629 3.422 16.332 555 HA HIS 78 HA HIS 78 18.989 3.571 15.035 556 1HB HIS 78 1HB HIS 78 20.272 4.017 12.974 557 2HB HIS 78 2HB HIS 78 20.654 5.125 14.295 558 HD1 HIS 78 HD1 HIS 78 22.737 5.160 12.309 559 HD2 HIS 78 HD2 HIS 78 22.547 2.178 15.154 560 HE1 HIS 78 HE1 HIS 78 25.176 4.104 12.476 561 HE2 HIS 78 HE2 HIS 78 25.033 2.353 14.272 562 H TYR 79 H TYR 79 20.152 1.116 16.274 563 HA TYR 79 HA TYR 79 20.805 -0.909 14.505 564 1HB TYR 79 1HB TYR 79 20.249 -2.288 16.268 565 2HB TYR 79 2HB TYR 79 20.886 -0.896 17.065 566 HD1 TYR 79 HD1 TYR 79 19.028 -3.034 18.354 567 HD2 TYR 79 HD2 TYR 79 18.083 0.795 16.571 568 HE1 TYR 79 HE1 TYR 79 16.988 -2.786 19.623 569 HE2 TYR 79 HE2 TYR 79 16.155 0.976 17.844 570 HH TYR 79 HH TYR 79 15.252 -1.502 20.227 571 H LEU 80 H LEU 80 19.610 -2.486 13.410 572 HA LEU 80 HA LEU 80 16.961 -1.465 12.511 573 1HB LEU 80 1HB LEU 80 19.022 -3.503 11.715 574 2HB LEU 80 2HB LEU 80 17.382 -3.978 11.391 575 HG LEU 80 HG LEU 80 17.837 -1.181 10.565 576 1HD1 LEU 80 1HD1 LEU 80 19.782 -1.432 9.521 577 2HD1 LEU 80 2HD1 LEU 80 19.866 -3.170 9.805 578 3HD1 LEU 80 3HD1 LEU 80 19.031 -2.588 8.420 579 1HD2 LEU 80 1HD2 LEU 80 16.317 -1.729 8.984 580 2HD2 LEU 80 2HD2 LEU 80 17.075 -3.243 8.638 581 3HD2 LEU 80 3HD2 LEU 80 15.992 -3.073 10.065 582 H LEU 81 H LEU 81 15.026 -2.738 12.612 583 HA LEU 81 HA LEU 81 15.027 -4.851 14.667 584 1HB LEU 81 1HB LEU 81 13.184 -2.430 14.706 585 2HB LEU 81 2HB LEU 81 13.036 -3.757 15.771 586 HG LEU 81 HG LEU 81 15.764 -2.590 15.987 587 1HD1 LEU 81 1HD1 LEU 81 13.526 -0.709 15.848 588 2HD1 LEU 81 2HD1 LEU 81 14.453 -0.595 17.257 589 3HD1 LEU 81 3HD1 LEU 81 15.304 -0.508 15.708 590 1HD2 LEU 81 1HD2 LEU 81 14.224 -2.451 18.345 591 2HD2 LEU 81 2HD2 LEU 81 13.929 -3.933 17.692 592 3HD2 LEU 81 3HD2 LEU 81 15.606 -3.493 17.883 593 H GLU 82 H GLU 82 13.742 -6.444 14.145 594 HA GLU 82 HA GLU 82 12.099 -6.171 11.672 595 1HB GLU 82 1HB GLU 82 12.312 -8.534 11.430 596 2HB GLU 82 2HB GLU 82 13.950 -7.930 11.866 597 1HG GLU 82 1HG GLU 82 12.075 -9.110 13.838 598 2HG GLU 82 2HG GLU 82 13.064 -10.088 12.888 599 H PHE 83 H PHE 83 10.004 -6.837 11.589 600 HA PHE 83 HA PHE 83 8.732 -7.521 14.183 601 1HB PHE 83 1HB PHE 83 8.584 -5.094 13.666 602 2HB PHE 83 2HB PHE 83 7.749 -5.532 12.222 603 HD1 PHE 83 HD1 PHE 83 5.421 -5.640 12.080 604 HD2 PHE 83 HD2 PHE 83 7.433 -6.122 15.874 605 HE1 PHE 83 HE1 PHE 83 3.275 -5.677 13.313 606 HE2 PHE 83 HE2 PHE 83 5.259 -6.104 17.061 607 HZ PHE 83 HZ PHE 83 3.200 -5.835 15.669 608 HA PRO 84 HA PRO 84 6.822 -10.528 11.495 609 1HB PRO 84 1HB PRO 84 5.168 -11.735 13.379 610 2HB PRO 84 2HB PRO 84 6.904 -12.109 13.131 611 1HG PRO 84 1HG PRO 84 5.620 -10.555 15.299 612 2HG PRO 84 2HG PRO 84 7.191 -11.405 15.235 613 1HD PRO 84 1HD PRO 84 6.645 -8.583 14.954 614 2HD PRO 84 2HD PRO 84 8.206 -9.404 14.731 615 H THR 85 H THR 85 5.755 -9.314 10.080 616 HA THR 85 HA THR 85 3.104 -8.339 10.899 617 HB THR 85 HB THR 85 4.623 -6.681 9.934 618 HG1 THR 85 HG1 THR 85 2.535 -7.456 8.221 619 1HG2 THR 85 1HG2 THR 85 5.664 -8.457 8.236 620 2HG2 THR 85 2HG2 THR 85 4.279 -7.985 7.236 621 3HG2 THR 85 3HG2 THR 85 5.471 -6.786 7.743 622 H PHE 86 H PHE 86 1.440 -9.536 10.519 623 HA PHE 86 HA PHE 86 1.618 -11.722 8.604 624 1HB PHE 86 1HB PHE 86 -0.710 -10.680 10.273 625 2HB PHE 86 2HB PHE 86 -0.658 -12.251 9.499 626 HD1 PHE 86 HD1 PHE 86 -0.210 -10.627 12.540 627 HD2 PHE 86 HD2 PHE 86 1.591 -13.695 10.074 628 HE1 PHE 86 HE1 PHE 86 0.738 -11.777 14.527 629 HE2 PHE 86 HE2 PHE 86 2.572 -14.720 12.093 630 HZ PHE 86 HZ PHE 86 2.203 -13.639 14.333 631 HA PRO 87 HA PRO 87 -0.464 -9.738 5.273 632 1HB PRO 87 1HB PRO 87 -1.896 -11.879 4.161 633 2HB PRO 87 2HB PRO 87 -0.134 -11.575 3.998 634 1HG PRO 87 1HG PRO 87 -1.459 -13.659 5.588 635 2HG PRO 87 2HG PRO 87 0.223 -13.579 4.934 636 1HD PRO 87 1HD PRO 87 -0.666 -13.034 7.579 637 2HD PRO 87 2HD PRO 87 0.983 -12.839 6.937 638 H ASP 88 H ASP 88 -2.613 -11.967 7.115 639 HA ASP 88 HA ASP 88 -5.112 -11.123 6.504 640 1HB ASP 88 1HB ASP 88 -3.773 -11.907 9.051 641 2HB ASP 88 2HB ASP 88 -5.326 -11.103 9.231 642 H GLY 89 H GLY 89 -2.649 -9.269 8.173 643 1HA GLY 89 1HA GLY 89 -2.458 -7.003 8.402 644 2HA GLY 89 2HA GLY 89 -4.162 -6.824 7.831 645 H HIS 90 H HIS 90 -3.688 -9.143 10.274 646 HA HIS 90 HA HIS 90 -5.261 -7.521 12.131 647 1HB HIS 90 1HB HIS 90 -5.471 -9.538 13.438 648 2HB HIS 90 2HB HIS 90 -5.786 -9.897 11.740 649 HD1 HIS 90 HD1 HIS 90 -4.656 -11.994 10.859 650 HD2 HIS 90 HD2 HIS 90 -2.712 -10.278 14.199 651 HE1 HIS 90 HE1 HIS 90 -2.689 -13.558 11.451 652 HE2 HIS 90 HE2 HIS 90 -1.516 -12.513 13.487 653 H ASP 91 H ASP 91 -4.460 -6.395 13.769 654 HA ASP 91 HA ASP 91 -1.699 -5.864 14.108 655 1HB ASP 91 1HB ASP 91 -3.638 -4.412 14.856 656 2HB ASP 91 2HB ASP 91 -3.942 -5.580 16.162 657 H TYR 92 H TYR 92 -0.622 -7.899 14.257 658 HA TYR 92 HA TYR 92 -1.000 -10.085 15.681 659 1HB TYR 92 1HB TYR 92 1.009 -9.686 14.361 660 2HB TYR 92 2HB TYR 92 1.468 -8.369 15.314 661 HD1 TYR 92 HD1 TYR 92 0.299 -11.740 16.619 662 HD2 TYR 92 HD2 TYR 92 3.615 -8.996 16.089 663 HE1 TYR 92 HE1 TYR 92 1.692 -13.149 18.061 664 HE2 TYR 92 HE2 TYR 92 4.993 -10.476 17.568 665 HH TYR 92 HH TYR 92 3.801 -12.797 19.452 666 H LYS 93 H LYS 93 -0.961 -10.796 17.788 667 HA LYS 93 HA LYS 93 -1.182 -8.744 19.850 668 1HB LYS 93 1HB LYS 93 -1.552 -10.792 21.314 669 2HB LYS 93 2HB LYS 93 -2.746 -10.455 20.047 670 1HG LYS 93 1HG LYS 93 -2.009 -12.245 18.673 671 2HG LYS 93 2HG LYS 93 -0.434 -12.354 19.479 672 1HD LYS 93 1HD LYS 93 -1.864 -14.229 20.142 673 2HD LYS 93 2HD LYS 93 -1.496 -13.147 21.519 674 1HE LYS 93 1HE LYS 93 -3.771 -12.008 20.844 675 2HE LYS 93 2HE LYS 93 -4.073 -13.526 19.972 676 1HZ LYS 93 1HZ LYS 93 -3.123 -14.177 22.480 677 2HZ LYS 93 2HZ LYS 93 -4.181 -12.967 22.755 678 3HZ LYS 93 3HZ LYS 93 -4.682 -14.323 21.947 679 H PHE 94 H PHE 94 1.074 -8.079 19.198 680 HA PHE 94 HA PHE 94 3.249 -9.687 20.307 681 1HB PHE 94 1HB PHE 94 4.563 -7.637 19.648 682 2HB PHE 94 2HB PHE 94 3.798 -8.465 18.358 683 HD1 PHE 94 HD1 PHE 94 3.654 -5.424 20.431 684 HD2 PHE 94 HD2 PHE 94 2.023 -7.508 17.090 685 HE1 PHE 94 HE1 PHE 94 2.450 -3.353 19.705 686 HE2 PHE 94 HE2 PHE 94 0.782 -5.507 16.368 687 HZ PHE 94 HZ PHE 94 0.985 -3.416 17.670 688 H ASP 95 H ASP 95 0.963 -7.513 21.502 689 HA ASP 95 HA ASP 95 2.717 -6.401 23.619 690 1HB ASP 95 1HB ASP 95 0.445 -5.450 22.217 691 2HB ASP 95 2HB ASP 95 -0.200 -5.915 23.788 692 H SER 96 H SER 96 0.122 -8.741 23.053 693 HA SER 96 HA SER 96 -0.298 -9.249 25.924 694 1HB SER 96 1HB SER 96 -1.575 -10.131 23.357 695 2HB SER 96 2HB SER 96 -1.641 -11.262 24.723 696 HG SER 96 HG SER 96 -2.305 -8.562 25.139 697 H LYS 97 H LYS 97 1.243 -10.261 26.938 698 HA LYS 97 HA LYS 97 3.195 -11.981 25.750 699 1HB LYS 97 1HB LYS 97 4.029 -12.286 27.878 700 2HB LYS 97 2HB LYS 97 3.126 -10.785 28.087 701 1HG LYS 97 1HG LYS 97 1.219 -12.048 29.053 702 2HG LYS 97 2HG LYS 97 2.137 -13.580 28.851 703 1HD LYS 97 1HD LYS 97 3.829 -12.944 30.334 704 2HD LYS 97 2HD LYS 97 3.091 -11.325 30.535 705 1HE LYS 97 1HE LYS 97 0.938 -12.983 31.094 706 2HE LYS 97 2HE LYS 97 2.283 -13.992 31.664 707 1HZ LYS 97 1HZ LYS 97 1.765 -11.179 32.471 708 2HZ LYS 97 2HZ LYS 97 1.480 -12.492 33.413 709 3HZ LYS 97 3HZ LYS 97 3.020 -12.080 32.993 710 H LYS 98 H LYS 98 0.187 -12.778 27.482 711 HA LYS 98 HA LYS 98 0.160 -15.268 26.062 712 1HB LYS 98 1HB LYS 98 1.122 -16.107 27.870 713 2HB LYS 98 2HB LYS 98 0.218 -15.110 29.033 714 1HG LYS 98 1HG LYS 98 -1.633 -16.486 29.017 715 2HG LYS 98 2HG LYS 98 -1.427 -17.004 27.357 716 1HD LYS 98 1HD LYS 98 0.589 -18.343 28.006 717 2HD LYS 98 2HD LYS 98 0.163 -17.992 29.696 718 1HE LYS 98 1HE LYS 98 -2.213 -18.871 28.251 719 2HE LYS 98 2HE LYS 98 -0.905 -20.010 27.894 720 1HZ LYS 98 1HZ LYS 98 -2.408 -20.107 30.113 721 2HZ LYS 98 2HZ LYS 98 -0.891 -20.734 30.022 722 3HZ LYS 98 3HZ LYS 98 -1.129 -19.247 30.671 723 HA PRO 99 HA PRO 99 -1.117 -16.652 25.339 724 1HB PRO 99 1HB PRO 99 -2.677 -16.856 23.123 725 2HB PRO 99 2HB PRO 99 -2.913 -17.707 24.693 726 1HG PRO 99 1HG PRO 99 -4.465 -15.475 23.572 727 2HG PRO 99 2HG PRO 99 -4.935 -16.614 24.816 728 1HD PRO 99 1HD PRO 99 -4.021 -13.882 25.184 729 2HD PRO 99 2HD PRO 99 -4.411 -15.085 26.459 730 H LYS 100 H LYS 100 -0.314 -16.844 22.973 731 HA LYS 100 HA LYS 100 0.268 -14.217 21.757 732 1HB LYS 100 1HB LYS 100 2.127 -14.135 22.997 733 2HB LYS 100 2HB LYS 100 2.253 -15.888 23.216 734 1HG LYS 100 1HG LYS 100 2.962 -16.110 20.815 735 2HG LYS 100 2HG LYS 100 2.897 -14.334 20.675 736 1HD LYS 100 1HD LYS 100 4.610 -14.257 22.486 737 2HD LYS 100 2HD LYS 100 4.633 -15.966 22.632 738 1HE LYS 100 1HE LYS 100 5.135 -14.666 19.906 739 2HE LYS 100 2HE LYS 100 6.438 -14.835 21.088 740 1HZ LYS 100 1HZ LYS 100 4.781 -17.006 19.969 741 2HZ LYS 100 2HZ LYS 100 6.386 -16.738 19.630 742 3HZ LYS 100 3HZ LYS 100 5.923 -17.215 21.145 743 H GLU 101 H GLU 101 0.427 -14.322 19.608 744 HA GLU 101 HA GLU 101 -0.180 -16.954 18.400 745 1HB GLU 101 1HB GLU 101 -1.172 -14.421 17.914 746 2HB GLU 101 2HB GLU 101 0.058 -14.538 16.653 747 1HG GLU 101 1HG GLU 101 -0.967 -16.449 15.677 748 2HG GLU 101 2HG GLU 101 -1.858 -16.844 17.154 749 H ASN 102 H ASN 102 1.085 -17.922 16.867 750 HA ASN 102 HA ASN 102 3.772 -17.997 17.147 751 1HB ASN 102 1HB ASN 102 1.866 -18.887 15.113 752 2HB ASN 102 2HB ASN 102 3.322 -18.313 14.327 753 1HD2 ASN 102 1HD2 ASN 102 2.228 -20.391 16.963 754 2HD2 ASN 102 2HD2 ASN 102 3.556 -21.558 16.788 755 HA PRO 103 HA PRO 103 5.425 -14.316 15.438 756 1HB PRO 103 1HB PRO 103 7.965 -15.195 14.592 757 2HB PRO 103 2HB PRO 103 7.437 -14.863 16.251 758 1HG PRO 103 1HG PRO 103 7.898 -17.498 14.975 759 2HG PRO 103 2HG PRO 103 7.965 -17.035 16.721 760 1HD PRO 103 1HD PRO 103 5.849 -18.290 15.286 761 2HD PRO 103 2HD PRO 103 5.833 -17.771 16.999 762 H GLY 104 H GLY 104 7.184 -16.374 13.188 763 1HA GLY 104 1HA GLY 104 5.997 -16.890 11.030 764 2HA GLY 104 2HA GLY 104 5.650 -15.140 10.936 765 HA PRO 105 HA PRO 105 10.004 -16.091 9.381 766 1HB PRO 105 1HB PRO 105 9.512 -16.531 6.649 767 2HB PRO 105 2HB PRO 105 9.741 -17.802 7.886 768 1HG PRO 105 1HG PRO 105 7.232 -16.935 6.541 769 2HG PRO 105 2HG PRO 105 7.603 -18.481 7.384 770 1HD PRO 105 1HD PRO 105 6.101 -16.244 8.384 771 2HD PRO 105 2HD PRO 105 6.574 -17.731 9.246 772 H ALA 106 H ALA 106 7.559 -14.735 7.087 773 HA ALA 106 HA ALA 106 9.223 -12.618 6.222 774 1HB ALA 106 1HB ALA 106 7.015 -13.659 5.381 775 2HB ALA 106 2HB ALA 106 6.300 -12.264 6.307 776 3HB ALA 106 3HB ALA 106 7.432 -12.026 4.971 777 H ARG 107 H ARG 107 9.636 -10.661 7.046 778 HA ARG 107 HA ARG 107 7.981 -9.522 9.188 779 1HB ARG 107 1HB ARG 107 10.951 -10.234 9.510 780 2HB ARG 107 2HB ARG 107 10.087 -9.076 10.530 781 1HG ARG 107 1HG ARG 107 8.409 -11.239 10.711 782 2HG ARG 107 2HG ARG 107 9.870 -12.074 10.415 783 1HD ARG 107 1HD ARG 107 10.329 -10.008 12.414 784 2HD ARG 107 2HD ARG 107 8.855 -10.852 12.810 785 HE ARG 107 HE ARG 107 10.020 -12.634 13.488 786 1HH1 ARG 107 2HH2 ARG 107 11.897 -11.021 11.093 787 2HH1 ARG 107 1HH2 ARG 107 13.270 -12.058 11.180 788 1HH2 ARG 107 2HH1 ARG 107 11.771 -14.020 13.652 789 2HH2 ARG 107 1HH1 ARG 107 13.179 -13.767 12.664 790 H VAL 108 H VAL 108 8.211 -7.335 9.438 791 HA VAL 108 HA VAL 108 9.323 -5.948 7.076 792 HB VAL 108 HB VAL 108 7.101 -5.388 7.804 793 1HG1 VAL 108 1HG1 VAL 108 6.820 -4.166 10.007 794 2HG1 VAL 108 2HG1 VAL 108 7.049 -5.896 10.114 795 3HG1 VAL 108 3HG1 VAL 108 8.367 -4.714 10.460 796 1HG2 VAL 108 1HG2 VAL 108 7.607 -2.848 8.379 797 2HG2 VAL 108 2HG2 VAL 108 9.257 -3.326 8.019 798 3HG2 VAL 108 3HG2 VAL 108 7.916 -3.593 6.842 799 H ILE 109 H ILE 109 11.305 -5.269 6.968 800 HA ILE 109 HA ILE 109 12.770 -4.756 9.521 801 HB ILE 109 HB ILE 109 13.730 -5.242 6.674 802 1HG1 ILE 109 1HG1 ILE 109 13.053 -7.372 7.399 803 2HG1 ILE 109 2HG1 ILE 109 14.769 -7.333 7.879 804 1HG2 ILE 109 1HG2 ILE 109 15.174 -3.801 7.821 805 2HG2 ILE 109 2HG2 ILE 109 15.299 -4.937 9.227 806 3HG2 ILE 109 3HG2 ILE 109 15.990 -5.326 7.644 807 1HD1 ILE 109 1HD1 ILE 109 13.707 -8.178 9.688 808 2HD1 ILE 109 2HD1 ILE 109 13.872 -6.464 10.158 809 3HD1 ILE 109 3HD1 ILE 109 12.318 -7.097 9.590 810 H TYR 110 H TYR 110 13.725 -2.918 10.037 811 HA TYR 110 HA TYR 110 13.785 -0.693 8.182 812 1HB TYR 110 1HB TYR 110 12.132 0.642 9.404 813 2HB TYR 110 2HB TYR 110 11.360 -0.814 8.826 814 HD1 TYR 110 HD1 TYR 110 10.087 -2.153 10.276 815 HD2 TYR 110 HD2 TYR 110 13.038 0.495 11.944 816 HE1 TYR 110 HE1 TYR 110 9.323 -2.654 12.612 817 HE2 TYR 110 HE2 TYR 110 12.364 -0.039 14.185 818 HH TYR 110 HH TYR 110 9.485 -2.019 14.796 819 H THR 111 H THR 111 14.904 1.051 9.025 820 HA THR 111 HA THR 111 16.665 0.388 11.292 821 HB THR 111 HB THR 111 18.076 1.980 10.391 822 HG1 THR 111 HG1 THR 111 15.696 3.225 9.609 823 1HG2 THR 111 1HG2 THR 111 17.158 0.321 8.476 824 2HG2 THR 111 2HG2 THR 111 16.463 1.815 7.837 825 3HG2 THR 111 3HG2 THR 111 18.188 1.686 8.108 826 H TYR 112 H TYR 112 17.208 2.094 12.908 827 HA TYR 112 HA TYR 112 14.691 3.355 13.747 828 1HB TYR 112 1HB TYR 112 15.129 1.683 15.222 829 2HB TYR 112 2HB TYR 112 16.863 2.012 15.228 830 HD1 TYR 112 HD1 TYR 112 13.981 2.302 17.154 831 HD2 TYR 112 HD2 TYR 112 17.539 4.494 16.179 832 HE1 TYR 112 HE1 TYR 112 13.727 3.717 19.214 833 HE2 TYR 112 HE2 TYR 112 17.327 5.837 18.165 834 HH TYR 112 HH TYR 112 15.383 5.026 20.717 835 HA PRO 113 HA PRO 113 14.142 4.685 15.410 836 1HB PRO 113 1HB PRO 113 13.058 7.179 15.454 837 2HB PRO 113 2HB PRO 113 14.078 6.460 16.746 838 1HG PRO 113 1HG PRO 113 14.784 8.555 14.751 839 2HG PRO 113 2HG PRO 113 15.554 8.180 16.334 840 1HD PRO 113 1HD PRO 113 16.515 7.446 13.702 841 2HD PRO 113 2HD PRO 113 17.189 6.951 15.272 842 H ASN 114 H ASN 114 14.323 7.137 12.864 843 HA ASN 114 HA ASN 114 11.854 6.827 11.712 844 1HB ASN 114 1HB ASN 114 14.626 7.468 10.693 845 2HB ASN 114 2HB ASN 114 13.535 6.869 9.461 846 1HD2 ASN 114 1HD2 ASN 114 14.361 9.236 9.014 847 2HD2 ASN 114 2HD2 ASN 114 13.096 10.434 9.370 848 H LYS 115 H LYS 115 10.774 5.061 11.282 849 HA LYS 115 HA LYS 115 11.999 2.519 10.834 850 1HB LYS 115 1HB LYS 115 9.287 3.635 11.127 851 2HB LYS 115 2HB LYS 115 9.230 2.304 10.019 852 1HG LYS 115 1HG LYS 115 9.735 0.738 11.454 853 2HG LYS 115 2HG LYS 115 10.828 1.775 12.429 854 1HD LYS 115 1HD LYS 115 7.811 1.651 12.506 855 2HD LYS 115 2HD LYS 115 8.918 1.061 13.685 856 1HE LYS 115 1HE LYS 115 8.845 3.173 14.673 857 2HE LYS 115 2HE LYS 115 9.832 3.707 13.323 858 1HZ LYS 115 1HZ LYS 115 7.046 3.480 12.737 859 2HZ LYS 115 2HZ LYS 115 7.360 4.619 13.893 860 3HZ LYS 115 3HZ LYS 115 8.078 4.719 12.395 861 H VAL 116 H VAL 116 13.359 3.525 9.137 862 HA VAL 116 HA VAL 116 12.328 4.044 6.508 863 HB VAL 116 HB VAL 116 15.091 3.548 7.661 864 1HG1 VAL 116 1HG1 VAL 116 14.251 3.354 4.810 865 2HG1 VAL 116 2HG1 VAL 116 15.562 4.456 5.081 866 3HG1 VAL 116 3HG1 VAL 116 15.722 2.786 5.630 867 1HG2 VAL 116 1HG2 VAL 116 13.444 5.861 7.319 868 2HG2 VAL 116 2HG2 VAL 116 15.125 5.758 7.904 869 3HG2 VAL 116 3HG2 VAL 116 14.778 6.030 6.199 870 H PHE 117 H PHE 117 10.911 2.107 6.709 871 HA PHE 117 HA PHE 117 11.452 -0.502 6.690 872 1HB PHE 117 1HB PHE 117 9.218 0.308 6.350 873 2HB PHE 117 2HB PHE 117 9.706 1.149 4.868 874 HD1 PHE 117 HD1 PHE 117 9.537 -2.223 6.287 875 HD2 PHE 117 HD2 PHE 117 9.438 0.163 2.765 876 HE1 PHE 117 HE1 PHE 117 8.885 -4.254 4.992 877 HE2 PHE 117 HE2 PHE 117 8.792 -1.801 1.443 878 HZ PHE 117 HZ PHE 117 8.579 -4.005 2.466 879 H CYS 118 H CYS 118 12.924 -1.733 5.749 880 HA CYS 118 HA CYS 118 14.153 -0.793 3.225 881 1HB CYS 118 1HB CYS 118 15.151 -2.124 5.584 882 2HB CYS 118 2HB CYS 118 15.272 -3.216 4.239 883 H GLY 119 H GLY 119 12.414 -3.559 4.662 884 1HA GLY 119 1HA GLY 119 10.825 -4.282 2.612 885 2HA GLY 119 2HA GLY 119 12.327 -5.030 2.137 886 H ILE 120 H ILE 120 10.857 -6.961 2.381 887 HA ILE 120 HA ILE 120 10.816 -7.844 5.232 888 HB ILE 120 HB ILE 120 8.990 -8.497 2.871 889 1HG1 ILE 120 1HG1 ILE 120 7.301 -7.980 4.904 890 2HG1 ILE 120 2HG1 ILE 120 8.705 -7.130 5.537 891 1HG2 ILE 120 1HG2 ILE 120 8.627 -9.871 5.528 892 2HG2 ILE 120 2HG2 ILE 120 8.083 -10.328 3.879 893 3HG2 ILE 120 3HG2 ILE 120 9.698 -10.618 4.374 894 1HD1 ILE 120 1HD1 ILE 120 8.827 -5.877 3.357 895 2HD1 ILE 120 2HD1 ILE 120 7.354 -6.663 2.847 896 3HD1 ILE 120 3HD1 ILE 120 7.359 -5.584 4.256 897 H ILE 121 H ILE 121 11.661 -9.812 5.749 898 HA ILE 121 HA ILE 121 13.251 -11.059 3.533 899 HB ILE 121 HB ILE 121 15.016 -11.495 4.977 900 1HG1 ILE 121 1HG1 ILE 121 13.302 -10.642 7.359 901 2HG1 ILE 121 2HG1 ILE 121 13.665 -12.336 6.914 902 1HG2 ILE 121 1HG2 ILE 121 13.921 -8.655 5.546 903 2HG2 ILE 121 2HG2 ILE 121 15.475 -9.148 6.064 904 3HG2 ILE 121 3HG2 ILE 121 15.089 -9.187 4.335 905 1HD1 ILE 121 1HD1 ILE 121 15.143 -10.595 8.407 906 2HD1 ILE 121 2HD1 ILE 121 15.541 -12.289 8.063 907 3HD1 ILE 121 3HD1 ILE 121 16.147 -11.025 7.004 908 H ALA 122 H ALA 122 13.547 -13.340 3.648 909 HA ALA 122 HA ALA 122 12.210 -14.992 5.581 910 1HB ALA 122 1HB ALA 122 10.185 -15.563 4.542 911 2HB ALA 122 2HB ALA 122 10.271 -13.888 4.069 912 3HB ALA 122 3HB ALA 122 10.816 -15.148 2.935 913 H HIS 123 H HIS 123 12.296 -17.267 4.938 914 HA HIS 123 HA HIS 123 14.633 -17.739 3.240 915 1HB HIS 123 1HB HIS 123 13.399 -19.989 4.791 916 2HB HIS 123 2HB HIS 123 15.089 -19.593 4.456 917 HD1 HIS 123 HD1 HIS 123 16.378 -18.463 6.344 918 HD2 HIS 123 HD2 HIS 123 12.157 -18.420 6.811 919 HE1 HIS 123 HE1 HIS 123 15.893 -17.471 8.691 920 HE2 HIS 123 HE2 HIS 123 13.305 -17.431 8.954 921 H THR 124 H THR 124 13.814 -17.474 1.208 922 HA THR 124 HA THR 124 11.672 -19.359 0.360 923 HB THR 124 HB THR 124 11.849 -17.760 -1.712 924 HG1 THR 124 HG1 THR 124 12.630 -15.676 -0.829 925 1HG2 THR 124 1HG2 THR 124 10.693 -15.929 -0.460 926 2HG2 THR 124 2HG2 THR 124 10.038 -17.582 -0.287 927 3HG2 THR 124 3HG2 THR 124 10.941 -16.849 1.033 928 H LYS 125 H LYS 125 13.962 -20.579 0.974 929 HA LYS 125 HA LYS 125 15.205 -21.223 -1.691 930 1HB LYS 125 1HB LYS 125 16.761 -20.339 0.062 931 2HB LYS 125 2HB LYS 125 16.352 -21.709 1.100 932 1HG LYS 125 1HG LYS 125 18.095 -22.780 0.073 933 2HG LYS 125 2HG LYS 125 17.038 -23.007 -1.285 934 1HD LYS 125 1HD LYS 125 18.924 -22.120 -2.225 935 2HD LYS 125 2HD LYS 125 17.752 -20.788 -2.233 936 1HE LYS 125 1HE LYS 125 18.935 -19.539 -0.713 937 2HE LYS 125 2HE LYS 125 19.367 -20.952 0.262 938 1HZ LYS 125 1HZ LYS 125 20.937 -19.673 -1.713 939 2HZ LYS 125 2HZ LYS 125 21.367 -20.844 -0.625 940 3HZ LYS 125 3HZ LYS 125 20.740 -21.266 -2.076 941 H GLU 126 H GLU 126 13.252 -22.374 0.936 942 HA GLU 126 HA GLU 126 12.447 -24.626 -0.546 943 1HB GLU 126 1HB GLU 126 14.909 -25.063 0.926 944 2HB GLU 126 2HB GLU 126 13.640 -25.843 1.823 945 1HG GLU 126 1HG GLU 126 13.050 -26.557 -0.842 946 2HG GLU 126 2HG GLU 126 14.811 -26.533 -0.794 947 H ASN 127 H ASN 127 13.054 -24.096 2.921 948 HA ASN 127 HA ASN 127 10.241 -23.493 3.416 949 1HB ASN 127 1HB ASN 127 11.053 -26.203 3.547 950 2HB ASN 127 2HB ASN 127 11.191 -25.670 5.219 951 1HD2 ASN 127 1HD2 ASN 127 9.113 -26.587 2.742 952 2HD2 ASN 127 2HD2 ASN 127 7.580 -26.296 3.599 953 H GLN 128 H GLN 128 13.421 -24.289 4.788 954 HA GLN 128 HA GLN 128 13.424 -21.876 6.351 955 1HB GLN 128 1HB GLN 128 12.249 -23.037 7.973 956 2HB GLN 128 2HB GLN 128 13.043 -24.586 7.632 957 1HG GLN 128 1HG GLN 128 14.898 -24.105 8.894 958 2HG GLN 128 2HG GLN 128 14.824 -22.354 8.614 959 1HE2 GLN 128 1HE2 GLN 128 14.732 -24.535 10.892 960 2HE2 GLN 128 2HE2 GLN 128 13.632 -23.740 12.043 961 H GLY 129 H GLY 129 15.154 -21.572 4.774 962 1HA GLY 129 1HA GLY 129 17.706 -22.879 5.753 963 2HA GLY 129 2HA GLY 129 17.341 -22.666 4.025 964 H GLU 130 H GLU 130 18.014 -20.825 3.125 965 HA GLU 130 HA GLU 130 19.163 -18.745 4.873 966 1HB GLU 130 1HB GLU 130 19.608 -19.695 2.066 967 2HB GLU 130 2HB GLU 130 19.682 -17.963 2.305 968 1HG GLU 130 1HG GLU 130 21.898 -18.661 2.703 969 2HG GLU 130 2HG GLU 130 21.230 -18.375 4.312 970 H LEU 131 H LEU 131 18.367 -16.737 5.081 971 HA LEU 131 HA LEU 131 15.799 -16.176 3.791 972 1HB LEU 131 1HB LEU 131 15.866 -14.260 5.576 973 2HB LEU 131 2HB LEU 131 15.355 -15.871 5.973 974 HG LEU 131 HG LEU 131 17.599 -16.392 6.920 975 1HD1 LEU 131 1HD1 LEU 131 18.275 -13.783 5.681 976 2HD1 LEU 131 2HD1 LEU 131 18.894 -13.955 7.285 977 3HD1 LEU 131 3HD1 LEU 131 19.310 -15.173 6.059 978 1HD2 LEU 131 1HD2 LEU 131 16.989 -13.902 8.367 979 2HD2 LEU 131 2HD2 LEU 131 15.601 -14.955 8.098 980 3HD2 LEU 131 3HD2 LEU 131 17.064 -15.570 8.909 981 H LYS 132 H LYS 132 15.401 -14.286 2.718 982 HA LYS 132 HA LYS 132 17.646 -12.421 2.170 983 1HB LYS 132 1HB LYS 132 17.213 -12.690 -0.278 984 2HB LYS 132 2HB LYS 132 18.187 -13.905 0.511 985 1HG LYS 132 1HG LYS 132 16.677 -15.598 0.224 986 2HG LYS 132 2HG LYS 132 15.255 -14.565 0.429 987 1HD LYS 132 1HD LYS 132 16.983 -14.358 -2.042 988 2HD LYS 132 2HD LYS 132 15.678 -15.553 -1.907 989 1HE LYS 132 1HE LYS 132 14.125 -14.014 -2.397 990 2HE LYS 132 2HE LYS 132 14.590 -13.054 -0.994 991 1HZ LYS 132 1HZ LYS 132 16.206 -12.878 -3.451 992 2HZ LYS 132 2HZ LYS 132 14.793 -12.006 -3.296 993 3HZ LYS 132 3HZ LYS 132 15.954 -11.749 -2.247 994 H LEU 133 H LEU 133 16.863 -10.660 0.717 995 HA LEU 133 HA LEU 133 14.467 -9.596 1.915 996 1HB LEU 133 1HB LEU 133 16.638 -8.394 0.860 997 2HB LEU 133 2HB LEU 133 15.745 -8.434 -0.616 998 HG LEU 133 HG LEU 133 13.901 -7.149 0.499 999 1HD1 LEU 133 1HD1 LEU 133 14.459 -6.113 2.757 1000 2HD1 LEU 133 2HD1 LEU 133 14.018 -7.770 2.801 1001 3HD1 LEU 133 3HD1 LEU 133 15.724 -7.383 2.881 1002 1HD2 LEU 133 1HD2 LEU 133 15.063 -5.054 0.523 1003 2HD2 LEU 133 2HD2 LEU 133 16.631 -5.884 0.857 1004 3HD2 LEU 133 3HD2 LEU 133 15.848 -6.056 -0.690 1005 H CYS 134 H CYS 134 12.431 -9.629 1.192 1006 HA CYS 134 HA CYS 134 11.522 -11.502 -0.701 1007 1HB CYS 134 1HB CYS 134 10.131 -8.998 0.355 1008 2HB CYS 134 2HB CYS 134 9.359 -10.314 -0.480 1009 H SER 135 H SER 135 9.803 -10.426 -2.386 1010 HA SER 135 HA SER 135 10.953 -8.196 -3.908 1011 1HB SER 135 1HB SER 135 11.623 -11.038 -4.644 1012 2HB SER 135 2HB SER 135 11.182 -9.925 -5.966 1013 HG SER 135 HG SER 135 13.305 -9.610 -5.765 1014 H HIS 136 H HIS 136 9.185 -7.269 -4.548 1015 HA HIS 136 HA HIS 136 6.690 -8.783 -5.068 1016 1HB HIS 136 1HB HIS 136 5.863 -6.350 -5.426 1017 2HB HIS 136 2HB HIS 136 6.195 -6.936 -3.812 1018 HD1 HIS 136 HD1 HIS 136 8.780 -5.620 -6.213 1019 HD2 HIS 136 HD2 HIS 136 6.914 -4.827 -2.566 1020 HE1 HIS 136 HE1 HIS 136 10.088 -3.580 -5.148 1021 HE2 HIS 136 HE2 HIS 136 8.909 -3.103 -2.869 Start of MODEL 9 1 1H ALA 1 H1 ALA 1 0.937 0.855 0.065 2 2H ALA 1 H2 ALA 1 1.927 -0.280 0.772 3 3H ALA 1 H3 ALA 1 0.601 -0.759 -0.017 4 HA ALA 1 HA ALA 1 3.141 -0.275 -1.104 5 1HB ALA 1 1HB ALA 1 0.418 -1.006 -2.266 6 2HB ALA 1 2HB ALA 1 1.928 -0.976 -3.225 7 3HB ALA 1 3HB ALA 1 1.763 -2.103 -1.835 8 H VAL 2 H VAL 2 0.217 1.021 -2.665 9 HA VAL 2 HA VAL 2 1.344 2.981 -4.118 10 HB VAL 2 HB VAL 2 -1.124 2.231 -3.909 11 1HG1 VAL 2 1HG1 VAL 2 -1.170 4.593 -2.075 12 2HG1 VAL 2 2HG1 VAL 2 -2.581 3.713 -2.595 13 3HG1 VAL 2 3HG1 VAL 2 -1.429 2.890 -1.530 14 1HG2 VAL 2 1HG2 VAL 2 -0.228 3.937 -5.514 15 2HG2 VAL 2 2HG2 VAL 2 -1.890 4.242 -5.021 16 3HG2 VAL 2 3HG2 VAL 2 -0.578 5.217 -4.344 17 H THR 3 H THR 3 2.316 4.908 -3.862 18 HA THR 3 HA THR 3 2.886 5.741 -1.067 19 HB THR 3 HB THR 3 4.100 6.145 -3.761 20 HG1 THR 3 HG1 THR 3 4.994 5.688 -1.145 21 1HG2 THR 3 1HG2 THR 3 4.680 7.829 -1.335 22 2HG2 THR 3 2HG2 THR 3 5.461 7.729 -2.968 23 3HG2 THR 3 3HG2 THR 3 3.876 8.460 -2.807 24 H TRP 4 H TRP 4 1.550 7.082 -0.071 25 HA TRP 4 HA TRP 4 -0.256 8.791 -1.652 26 1HB TRP 4 1HB TRP 4 0.100 8.323 1.344 27 2HB TRP 4 2HB TRP 4 -1.097 9.283 0.546 28 HD1 TRP 4 HD1 TRP 4 0.027 5.626 0.217 29 HE1 TRP 4 HE1 TRP 4 -2.103 4.175 -0.061 30 HE3 TRP 4 HE3 TRP 4 -3.529 9.182 0.540 31 HZ2 TRP 4 HZ2 TRP 4 -4.911 4.479 -0.058 32 HZ3 TRP 4 HZ3 TRP 4 -5.928 8.638 0.566 33 HH2 TRP 4 HH2 TRP 4 -6.653 6.228 0.358 34 H THR 5 H THR 5 -0.041 10.941 -1.848 35 HA THR 5 HA THR 5 2.254 12.216 -0.398 36 HB THR 5 HB THR 5 1.726 11.949 -3.296 37 HG1 THR 5 HG1 THR 5 3.883 12.649 -1.713 38 1HG2 THR 5 1HG2 THR 5 2.775 14.596 -2.180 39 2HG2 THR 5 2HG2 THR 5 2.765 14.077 -3.891 40 3HG2 THR 5 3HG2 THR 5 1.231 14.387 -3.082 41 H CYS 6 H CYS 6 2.003 14.133 0.361 42 HA CYS 6 HA CYS 6 -0.574 15.604 -0.152 43 1HB CYS 6 1HB CYS 6 0.208 14.264 2.377 44 2HB CYS 6 2HB CYS 6 -0.014 15.990 2.548 45 H GLY 7 H GLY 7 2.160 16.072 2.122 46 1HA GLY 7 1HA GLY 7 2.407 18.871 1.194 47 2HA GLY 7 2HA GLY 7 3.320 18.105 2.497 48 H GLY 8 H GLY 8 2.927 17.062 -0.910 49 1HA GLY 8 1HA GLY 8 4.536 16.692 -2.603 50 2HA GLY 8 2HA GLY 8 5.604 17.850 -1.752 51 H LEU 9 H LEU 9 4.702 15.472 0.398 52 HA LEU 9 HA LEU 9 7.301 14.049 0.048 53 1HB LEU 9 1HB LEU 9 5.696 13.768 2.555 54 2HB LEU 9 2HB LEU 9 7.400 13.706 2.292 55 HG LEU 9 HG LEU 9 6.793 16.382 1.623 56 1HD1 LEU 9 1HD1 LEU 9 5.473 16.128 4.304 57 2HD1 LEU 9 2HD1 LEU 9 5.163 17.263 3.083 58 3HD1 LEU 9 3HD1 LEU 9 4.468 15.627 2.901 59 1HD2 LEU 9 1HD2 LEU 9 8.675 15.390 2.995 60 2HD2 LEU 9 2HD2 LEU 9 8.110 17.023 3.284 61 3HD2 LEU 9 3HD2 LEU 9 7.641 15.714 4.410 62 H LEU 10 H LEU 10 7.343 11.885 -0.101 63 HA LEU 10 HA LEU 10 4.783 10.560 -0.873 64 1HB LEU 10 1HB LEU 10 7.768 10.097 -1.320 65 2HB LEU 10 2HB LEU 10 6.707 8.761 -1.427 66 HG LEU 10 HG LEU 10 5.306 10.058 -3.198 67 1HD1 LEU 10 1HD1 LEU 10 7.530 12.077 -3.109 68 2HD1 LEU 10 2HD1 LEU 10 6.053 12.010 -4.185 69 3HD1 LEU 10 3HD1 LEU 10 5.904 12.307 -2.497 70 1HD2 LEU 10 1HD2 LEU 10 8.090 9.045 -3.497 71 2HD2 LEU 10 2HD2 LEU 10 6.666 8.739 -4.504 72 3HD2 LEU 10 3HD2 LEU 10 7.596 10.185 -4.766 73 H TYR 11 H TYR 11 3.810 9.261 0.408 74 HA TYR 11 HA TYR 11 5.117 8.145 2.881 75 1HB TYR 11 1HB TYR 11 2.250 9.016 2.424 76 2HB TYR 11 2HB TYR 11 2.907 8.334 3.901 77 HD1 TYR 11 HD1 TYR 11 2.209 11.358 2.103 78 HD2 TYR 11 HD2 TYR 11 4.956 9.581 4.970 79 HE1 TYR 11 HE1 TYR 11 2.910 13.615 2.864 80 HE2 TYR 11 HE2 TYR 11 5.520 11.844 5.785 81 HH TYR 11 HH TYR 11 5.159 14.009 5.616 82 H ASN 12 H ASN 12 5.626 6.125 2.288 83 HA ASN 12 HA ASN 12 4.118 4.448 0.467 84 1HB ASN 12 1HB ASN 12 6.503 4.145 1.954 85 2HB ASN 12 2HB ASN 12 5.421 3.004 2.749 86 1HD2 ASN 12 1HD2 ASN 12 4.207 1.520 1.337 87 2HD2 ASN 12 2HD2 ASN 12 5.113 1.046 -0.178 88 H GLN 13 H GLN 13 2.013 3.953 0.658 89 HA GLN 13 HA GLN 13 0.555 4.195 2.900 90 1HB GLN 13 1HB GLN 13 -0.424 3.445 0.697 91 2HB GLN 13 2HB GLN 13 0.284 1.896 0.945 92 1HG GLN 13 1HG GLN 13 -2.252 2.136 1.394 93 2HG GLN 13 2HG GLN 13 -1.256 1.209 2.565 94 1HE2 GLN 13 1HE2 GLN 13 -1.703 4.778 2.003 95 2HE2 GLN 13 2HE2 GLN 13 -2.104 4.991 3.717 96 H ASN 14 H ASN 14 2.390 1.310 2.141 97 HA ASN 14 HA ASN 14 1.617 -0.371 4.338 98 1HB ASN 14 1HB ASN 14 3.586 -0.613 2.438 99 2HB ASN 14 2HB ASN 14 4.561 0.056 3.774 100 1HD2 ASN 14 1HD2 ASN 14 5.770 -1.931 3.821 101 2HD2 ASN 14 2HD2 ASN 14 4.925 -3.320 4.565 102 H LYS 15 H LYS 15 3.798 2.464 4.410 103 HA LYS 15 HA LYS 15 4.302 2.198 7.333 104 1HB LYS 15 1HB LYS 15 5.321 3.768 5.029 105 2HB LYS 15 2HB LYS 15 4.998 4.800 6.407 106 1HG LYS 15 1HG LYS 15 6.622 3.846 7.708 107 2HG LYS 15 2HG LYS 15 6.400 2.219 7.067 108 1HD LYS 15 1HD LYS 15 7.403 3.239 4.803 109 2HD LYS 15 2HD LYS 15 8.061 4.431 5.906 110 1HE LYS 15 1HE LYS 15 8.911 2.387 7.283 111 2HE LYS 15 2HE LYS 15 8.392 1.365 5.938 112 1HZ LYS 15 1HZ LYS 15 10.086 3.665 5.263 113 2HZ LYS 15 2HZ LYS 15 10.837 2.504 6.095 114 3HZ LYS 15 3HZ LYS 15 10.143 2.144 4.641 115 H ALA 16 H ALA 16 2.069 3.968 5.172 116 HA ALA 16 HA ALA 16 1.068 5.740 7.225 117 1HB ALA 16 1HB ALA 16 -0.354 4.425 4.972 118 2HB ALA 16 2HB ALA 16 -0.885 5.818 5.832 119 3HB ALA 16 3HB ALA 16 0.609 5.898 4.754 120 H GLU 17 H GLU 17 0.210 2.359 6.335 121 HA GLU 17 HA GLU 17 -1.717 2.205 8.609 122 1HB GLU 17 1HB GLU 17 -1.934 -0.165 7.871 123 2HB GLU 17 2HB GLU 17 -2.454 1.076 6.692 124 1HG GLU 17 1HG GLU 17 -0.572 0.730 5.351 125 2HG GLU 17 2HG GLU 17 0.300 -0.179 6.611 126 H SER 18 H SER 18 1.477 0.938 7.725 127 HA SER 18 HA SER 18 1.818 -0.765 10.026 128 1HB SER 18 1HB SER 18 3.171 -1.125 8.034 129 2HB SER 18 2HB SER 18 3.988 0.444 8.335 130 HG SER 18 HG SER 18 4.963 -1.562 9.043 131 H ASN 19 H ASN 19 3.337 2.447 9.221 132 HA ASN 19 HA ASN 19 4.596 2.988 11.686 133 1HB ASN 19 1HB ASN 19 4.626 4.396 9.483 134 2HB ASN 19 2HB ASN 19 3.128 5.100 10.177 135 1HD2 ASN 19 1HD2 ASN 19 6.371 4.084 11.294 136 2HD2 ASN 19 2HD2 ASN 19 6.626 5.661 12.115 137 H SER 20 H SER 20 1.235 3.059 10.842 138 HA SER 20 HA SER 20 0.424 4.275 13.409 139 1HB SER 20 1HB SER 20 -1.364 4.869 12.295 140 2HB SER 20 2HB SER 20 -0.721 4.014 10.862 141 HG SER 20 HG SER 20 -2.160 2.605 11.037 142 H HIS 21 H HIS 21 0.394 1.103 11.851 143 HA HIS 21 HA HIS 21 -1.226 -0.427 13.544 144 1HB HIS 21 1HB HIS 21 1.325 -1.110 12.012 145 2HB HIS 21 2HB HIS 21 0.746 -2.229 13.146 146 HD1 HIS 21 HD1 HIS 21 0.392 -3.860 11.056 147 HD2 HIS 21 HD2 HIS 21 -1.997 -0.383 11.217 148 HE1 HIS 21 HE1 HIS 21 -1.540 -4.223 9.348 149 HE2 HIS 21 HE2 HIS 21 -2.963 -2.070 9.401 150 H HIS 22 H HIS 22 2.042 0.821 14.239 151 HA HIS 22 HA HIS 22 2.267 -0.554 16.736 152 1HB HIS 22 1HB HIS 22 3.849 1.903 16.295 153 2HB HIS 22 2HB HIS 22 4.354 0.297 16.749 154 HD1 HIS 22 HD1 HIS 22 5.610 2.371 14.704 155 HD2 HIS 22 HD2 HIS 22 3.467 -1.160 13.936 156 HE1 HIS 22 HE1 HIS 22 6.229 1.597 12.225 157 HE2 HIS 22 HE2 HIS 22 4.851 -0.579 11.782 158 H ALA 23 H ALA 23 1.384 2.752 15.681 159 HA ALA 23 HA ALA 23 1.146 4.133 17.930 160 1HB ALA 23 1HB ALA 23 0.371 4.579 15.400 161 2HB ALA 23 2HB ALA 23 -1.219 4.326 16.159 162 3HB ALA 23 3HB ALA 23 -0.049 5.534 16.778 163 HA PRO 24 HA PRO 24 -1.658 1.658 20.353 164 1HB PRO 24 1HB PRO 24 -2.191 3.573 22.373 165 2HB PRO 24 2HB PRO 24 -0.754 2.465 22.275 166 1HG PRO 24 1HG PRO 24 -1.053 5.295 21.709 167 2HG PRO 24 2HG PRO 24 0.490 4.407 22.154 168 1HD PRO 24 1HD PRO 24 -0.313 5.360 19.610 169 2HD PRO 24 2HD PRO 24 1.030 4.256 19.988 170 H LEU 25 H LEU 25 -3.738 1.329 19.942 171 HA LEU 25 HA LEU 25 -5.416 3.145 18.612 172 1HB LEU 25 1HB LEU 25 -5.393 0.350 19.139 173 2HB LEU 25 2HB LEU 25 -6.775 0.893 20.037 174 HG LEU 25 HG LEU 25 -7.890 1.726 18.118 175 1HD1 LEU 25 1HD1 LEU 25 -6.492 2.785 16.923 176 2HD1 LEU 25 2HD1 LEU 25 -5.212 1.532 16.793 177 3HD1 LEU 25 3HD1 LEU 25 -6.800 1.526 15.859 178 1HD2 LEU 25 1HD2 LEU 25 -6.555 -0.946 17.600 179 2HD2 LEU 25 2HD2 LEU 25 -8.134 -0.630 18.375 180 3HD2 LEU 25 3HD2 LEU 25 -7.963 -0.300 16.671 181 H SER 26 H SER 26 -5.353 5.009 19.805 182 HA SER 26 HA SER 26 -7.602 5.468 21.589 183 1HB SER 26 1HB SER 26 -4.842 4.971 22.686 184 2HB SER 26 2HB SER 26 -5.765 6.347 23.332 185 HG SER 26 HG SER 26 -6.028 3.787 23.889 186 H ASP 27 H ASP 27 -7.796 7.664 22.061 187 HA ASP 27 HA ASP 27 -6.348 9.481 20.195 188 1HB ASP 27 1HB ASP 27 -8.569 9.805 19.876 189 2HB ASP 27 2HB ASP 27 -8.936 9.447 21.552 190 H GLY 28 H GLY 28 -4.634 10.441 20.972 191 1HA GLY 28 1HA GLY 28 -3.248 11.621 22.434 192 2HA GLY 28 2HA GLY 28 -4.756 12.264 23.158 193 H LYS 29 H LYS 29 -2.871 9.292 23.026 194 HA LYS 29 HA LYS 29 -2.993 9.050 26.022 195 1HB LYS 29 1HB LYS 29 -4.730 7.691 25.361 196 2HB LYS 29 2HB LYS 29 -3.800 6.949 24.037 197 1HG LYS 29 1HG LYS 29 -2.540 5.593 25.454 198 2HG LYS 29 2HG LYS 29 -2.831 6.655 26.866 199 1HD LYS 29 1HD LYS 29 -5.353 5.748 26.247 200 2HD LYS 29 2HD LYS 29 -4.305 4.328 25.932 201 1HE LYS 29 1HE LYS 29 -3.441 4.351 28.159 202 2HE LYS 29 2HE LYS 29 -3.933 6.030 28.429 203 1HZ LYS 29 1HZ LYS 29 -6.238 5.355 28.319 204 2HZ LYS 29 2HZ LYS 29 -5.815 3.780 28.112 205 3HZ LYS 29 3HZ LYS 29 -5.479 4.566 29.542 206 H THR 30 H THR 30 -1.003 9.741 23.735 207 HA THR 30 HA THR 30 1.184 7.845 24.643 208 HB THR 30 HB THR 30 1.989 7.976 22.542 209 HG1 THR 30 HG1 THR 30 1.666 9.529 21.296 210 1HG2 THR 30 1HG2 THR 30 0.487 6.985 21.257 211 2HG2 THR 30 2HG2 THR 30 -0.565 7.060 22.695 212 3HG2 THR 30 3HG2 THR 30 -0.740 8.265 21.418 213 H GLY 31 H GLY 31 3.132 8.758 25.104 214 1HA GLY 31 1HA GLY 31 3.275 11.057 26.634 215 2HA GLY 31 2HA GLY 31 4.654 10.509 25.682 216 H SER 32 H SER 32 4.313 10.968 23.197 217 HA SER 32 HA SER 32 4.545 13.796 22.896 218 1HB SER 32 1HB SER 32 3.885 11.608 20.864 219 2HB SER 32 2HB SER 32 4.209 13.307 20.429 220 HG SER 32 HG SER 32 6.174 11.768 20.680 221 H SER 33 H SER 33 1.863 11.711 21.816 222 HA SER 33 HA SER 33 -0.304 12.896 22.663 223 1HB SER 33 1HB SER 33 -0.972 14.540 20.755 224 2HB SER 33 2HB SER 33 0.109 15.120 22.010 225 HG SER 33 HG SER 33 0.542 14.740 19.287 226 H TYR 34 H TYR 34 0.817 12.678 19.365 227 HA TYR 34 HA TYR 34 -1.451 11.524 18.318 228 1HB TYR 34 1HB TYR 34 1.417 11.338 17.412 229 2HB TYR 34 2HB TYR 34 0.028 10.781 16.502 230 HD1 TYR 34 HD1 TYR 34 1.975 13.659 17.636 231 HD2 TYR 34 HD2 TYR 34 -1.725 12.477 15.634 232 HE1 TYR 34 HE1 TYR 34 1.665 15.991 16.797 233 HE2 TYR 34 HE2 TYR 34 -1.928 14.789 14.856 234 HH TYR 34 HH TYR 34 0.505 17.323 15.388 235 HA PRO 35 HA PRO 35 -2.014 10.025 16.713 236 1HB PRO 35 1HB PRO 35 -3.897 8.244 16.854 237 2HB PRO 35 2HB PRO 35 -2.522 8.079 15.819 238 1HG PRO 35 1HG PRO 35 -3.188 6.497 18.254 239 2HG PRO 35 2HG PRO 35 -2.079 6.177 16.898 240 1HD PRO 35 1HD PRO 35 -1.535 7.234 19.549 241 2HD PRO 35 2HD PRO 35 -0.308 7.017 18.244 242 H HIS 36 H HIS 36 -4.378 10.602 16.720 243 HA HIS 36 HA HIS 36 -5.571 11.004 19.374 244 1HB HIS 36 1HB HIS 36 -5.724 13.383 19.298 245 2HB HIS 36 2HB HIS 36 -4.037 12.829 19.377 246 HD1 HIS 36 HD1 HIS 36 -4.300 15.621 18.511 247 HD2 HIS 36 HD2 HIS 36 -4.780 12.385 15.911 248 HE1 HIS 36 HE1 HIS 36 -3.840 16.564 16.083 249 HE2 HIS 36 HE2 HIS 36 -4.407 14.517 14.531 250 H TRP 37 H TRP 37 -7.698 12.244 19.149 251 HA TRP 37 HA TRP 37 -9.255 10.865 17.074 252 1HB TRP 37 1HB TRP 37 -10.302 11.518 19.148 253 2HB TRP 37 2HB TRP 37 -9.807 13.157 18.994 254 HD1 TRP 37 HD1 TRP 37 -11.784 10.978 16.450 255 HE1 TRP 37 HE1 TRP 37 -13.886 12.245 15.798 256 HE3 TRP 37 HE3 TRP 37 -11.285 14.899 19.574 257 HZ2 TRP 37 HZ2 TRP 37 -15.267 14.631 16.597 258 HZ3 TRP 37 HZ3 TRP 37 -13.015 16.724 19.652 259 HH2 TRP 37 HH2 TRP 37 -14.924 16.579 18.079 260 H PHE 38 H PHE 38 -10.242 11.781 15.352 261 HA PHE 38 HA PHE 38 -9.035 14.191 14.083 262 1HB PHE 38 1HB PHE 38 -8.264 12.055 12.953 263 2HB PHE 38 2HB PHE 38 -9.884 11.502 12.906 264 HD1 PHE 38 HD1 PHE 38 -8.567 14.944 12.112 265 HD2 PHE 38 HD2 PHE 38 -10.422 11.314 10.731 266 HE1 PHE 38 HE1 PHE 38 -9.006 15.963 9.861 267 HE2 PHE 38 HE2 PHE 38 -10.704 12.303 8.450 268 HZ PHE 38 HZ PHE 38 -10.023 14.598 8.047 269 H THR 39 H THR 39 -10.804 15.218 15.179 270 HA THR 39 HA THR 39 -13.504 15.011 14.904 271 HB THR 39 HB THR 39 -13.580 17.504 14.631 272 HG1 THR 39 HG1 THR 39 -10.929 17.078 14.039 273 1HG2 THR 39 1HG2 THR 39 -11.991 16.155 16.634 274 2HG2 THR 39 2HG2 THR 39 -11.218 17.684 16.288 275 3HG2 THR 39 3HG2 THR 39 -12.920 17.650 16.784 276 H ASN 40 H ASN 40 -11.323 15.597 12.193 277 HA ASN 40 HA ASN 40 -11.752 15.698 9.883 278 1HB ASN 40 1HB ASN 40 -12.299 13.288 10.480 279 2HB ASN 40 2HB ASN 40 -13.932 13.720 10.691 280 1HD2 ASN 40 1HD2 ASN 40 -14.814 12.528 9.052 281 2HD2 ASN 40 2HD2 ASN 40 -14.534 12.957 7.346 282 H GLY 41 H GLY 41 -13.301 17.457 11.767 283 1HA GLY 41 1HA GLY 41 -14.457 19.447 10.841 284 2HA GLY 41 2HA GLY 41 -15.350 18.301 9.832 285 H TYR 42 H TYR 42 -15.827 16.308 11.962 286 HA TYR 42 HA TYR 42 -18.268 17.086 13.076 287 1HB TYR 42 1HB TYR 42 -16.212 15.071 14.073 288 2HB TYR 42 2HB TYR 42 -17.823 15.164 14.659 289 HD1 TYR 42 HD1 TYR 42 -19.656 15.094 12.961 290 HD2 TYR 42 HD2 TYR 42 -15.755 13.524 12.173 291 HE1 TYR 42 HE1 TYR 42 -20.611 13.492 11.153 292 HE2 TYR 42 HE2 TYR 42 -16.670 12.068 10.390 293 HH TYR 42 HH TYR 42 -19.448 12.336 8.856 294 H ASP 43 H ASP 43 -18.879 17.520 15.233 295 HA ASP 43 HA ASP 43 -16.989 19.418 16.579 296 1HB ASP 43 1HB ASP 43 -19.901 18.914 16.484 297 2HB ASP 43 2HB ASP 43 -19.325 19.010 18.146 298 H GLY 44 H GLY 44 -18.525 16.346 17.171 299 1HA GLY 44 1HA GLY 44 -16.485 15.435 19.031 300 2HA GLY 44 2HA GLY 44 -17.976 15.877 19.872 301 H ASP 45 H ASP 45 -19.958 14.857 18.910 302 HA ASP 45 HA ASP 45 -19.448 11.986 18.110 303 1HB ASP 45 1HB ASP 45 -21.154 13.251 20.199 304 2HB ASP 45 2HB ASP 45 -22.098 12.251 19.088 305 H GLY 46 H GLY 46 -22.090 14.335 18.037 306 1HA GLY 46 1HA GLY 46 -23.390 13.213 15.749 307 2HA GLY 46 2HA GLY 46 -23.621 14.897 16.350 308 H LYS 47 H LYS 47 -23.859 15.059 13.958 309 HA LYS 47 HA LYS 47 -21.608 14.958 12.214 310 1HB LYS 47 1HB LYS 47 -24.005 16.737 11.944 311 2HB LYS 47 2HB LYS 47 -22.877 16.261 10.640 312 1HG LYS 47 1HG LYS 47 -23.505 13.920 10.798 313 2HG LYS 47 2HG LYS 47 -24.586 14.255 12.177 314 1HD LYS 47 1HD LYS 47 -25.887 15.815 10.808 315 2HD LYS 47 2HD LYS 47 -24.931 15.349 9.375 316 1HE LYS 47 1HE LYS 47 -25.948 13.349 9.145 317 2HE LYS 47 2HE LYS 47 -25.957 13.017 10.885 318 1HZ LYS 47 1HZ LYS 47 -28.001 13.971 11.135 319 2HZ LYS 47 2HZ LYS 47 -27.758 15.106 9.980 320 3HZ LYS 47 3HZ LYS 47 -28.183 13.581 9.543 321 H LEU 48 H LEU 48 -21.386 17.397 11.020 322 HA LEU 48 HA LEU 48 -19.581 18.666 12.982 323 1HB LEU 48 1HB LEU 48 -19.814 19.884 10.296 324 2HB LEU 48 2HB LEU 48 -18.463 19.440 11.281 325 HG LEU 48 HG LEU 48 -19.123 16.911 10.612 326 1HD1 LEU 48 1HD1 LEU 48 -19.932 18.155 8.002 327 2HD1 LEU 48 2HD1 LEU 48 -20.560 16.711 8.845 328 3HD1 LEU 48 3HD1 LEU 48 -21.124 18.354 9.245 329 1HD2 LEU 48 1HD2 LEU 48 -17.194 17.033 9.750 330 2HD2 LEU 48 2HD2 LEU 48 -17.784 17.845 8.331 331 3HD2 LEU 48 3HD2 LEU 48 -17.278 18.822 9.616 332 HA PRO 49 HA PRO 49 -22.221 21.977 13.974 333 1HB PRO 49 1HB PRO 49 -20.396 24.158 14.123 334 2HB PRO 49 2HB PRO 49 -20.724 22.924 15.348 335 1HG PRO 49 1HG PRO 49 -18.355 23.206 13.523 336 2HG PRO 49 2HG PRO 49 -18.464 22.344 15.056 337 1HD PRO 49 1HD PRO 49 -18.579 21.230 12.463 338 2HD PRO 49 2HD PRO 49 -18.798 20.364 14.004 339 H LYS 50 H LYS 50 -23.072 23.968 13.192 340 HA LYS 50 HA LYS 50 -23.516 24.162 10.416 341 1HB LYS 50 1HB LYS 50 -25.132 25.163 11.581 342 2HB LYS 50 2HB LYS 50 -24.056 25.969 12.722 343 1HG LYS 50 1HG LYS 50 -23.637 27.780 11.356 344 2HG LYS 50 2HG LYS 50 -23.862 26.861 9.866 345 1HD LYS 50 1HD LYS 50 -26.418 26.854 10.966 346 2HD LYS 50 2HD LYS 50 -25.749 28.441 11.407 347 1HE LYS 50 1HE LYS 50 -24.954 27.867 8.683 348 2HE LYS 50 2HE LYS 50 -26.632 27.347 8.811 349 1HZ LYS 50 1HZ LYS 50 -26.066 29.897 10.032 350 2HZ LYS 50 2HZ LYS 50 -25.812 29.907 8.413 351 3HZ LYS 50 3HZ LYS 50 -27.297 29.493 9.017 352 H GLY 51 H GLY 51 -21.690 24.050 9.289 353 1HA GLY 51 1HA GLY 51 -20.376 25.630 7.725 354 2HA GLY 51 2HA GLY 51 -19.900 26.479 9.239 355 H ARG 52 H ARG 52 -19.557 23.467 7.417 356 HA ARG 52 HA ARG 52 -16.826 23.251 8.118 357 1HB ARG 52 1HB ARG 52 -18.804 21.826 9.828 358 2HB ARG 52 2HB ARG 52 -17.729 20.718 9.013 359 1HG ARG 52 1HG ARG 52 -16.782 23.081 10.694 360 2HG ARG 52 2HG ARG 52 -16.888 21.442 11.258 361 1HD ARG 52 1HD ARG 52 -15.276 20.712 9.554 362 2HD ARG 52 2HD ARG 52 -15.165 22.333 8.909 363 HE ARG 52 HE ARG 52 -14.003 21.416 11.438 364 1HH1 ARG 52 2HH2 ARG 52 -14.995 24.199 9.668 365 2HH1 ARG 52 1HH2 ARG 52 -13.909 25.301 10.463 366 1HH2 ARG 52 2HH1 ARG 52 -12.652 22.821 12.499 367 2HH2 ARG 52 1HH1 ARG 52 -12.612 24.507 12.078 368 H THR 53 H THR 53 -15.816 21.332 7.182 369 HA THR 53 HA THR 53 -17.413 20.146 4.969 370 HB THR 53 HB THR 53 -14.897 21.699 4.550 371 HG1 THR 53 HG1 THR 53 -16.399 22.944 3.410 372 1HG2 THR 53 1HG2 THR 53 -16.116 19.503 3.003 373 2HG2 THR 53 2HG2 THR 53 -16.218 21.021 2.115 374 3HG2 THR 53 3HG2 THR 53 -14.638 20.433 2.685 375 HA PRO 54 HA PRO 54 -14.899 16.923 6.973 376 1HB PRO 54 1HB PRO 54 -16.632 14.794 6.339 377 2HB PRO 54 2HB PRO 54 -16.709 15.813 7.800 378 1HG PRO 54 1HG PRO 54 -18.486 15.846 5.386 379 2HG PRO 54 2HG PRO 54 -18.810 16.399 7.039 380 1HD PRO 54 1HD PRO 54 -18.066 17.976 4.750 381 2HD PRO 54 2HD PRO 54 -18.258 18.576 6.417 382 H ILE 55 H ILE 55 -13.538 15.438 6.135 383 HA ILE 55 HA ILE 55 -12.972 15.708 3.301 384 HB ILE 55 HB ILE 55 -11.711 13.742 5.251 385 1HG1 ILE 55 1HG1 ILE 55 -11.205 16.731 4.827 386 2HG1 ILE 55 2HG1 ILE 55 -11.495 15.880 6.328 387 1HG2 ILE 55 1HG2 ILE 55 -10.463 15.164 2.878 388 2HG2 ILE 55 2HG2 ILE 55 -9.935 13.697 3.732 389 3HG2 ILE 55 3HG2 ILE 55 -11.330 13.617 2.667 390 1HD1 ILE 55 1HD1 ILE 55 -9.319 14.572 5.838 391 2HD1 ILE 55 2HD1 ILE 55 -9.000 15.895 4.704 392 3HD1 ILE 55 3HD1 ILE 55 -9.214 16.245 6.428 393 H LYS 56 H LYS 56 -13.905 14.601 1.761 394 HA LYS 56 HA LYS 56 -15.568 12.207 2.406 395 1HB LYS 56 1HB LYS 56 -16.658 13.576 0.934 396 2HB LYS 56 2HB LYS 56 -15.241 14.025 0.009 397 1HG LYS 56 1HG LYS 56 -16.316 11.165 -0.013 398 2HG LYS 56 2HG LYS 56 -16.981 12.420 -1.065 399 1HD LYS 56 1HD LYS 56 -14.295 12.775 -1.577 400 2HD LYS 56 2HD LYS 56 -14.328 11.034 -1.204 401 1HE LYS 56 1HE LYS 56 -16.123 10.713 -2.799 402 2HE LYS 56 2HE LYS 56 -15.963 12.425 -3.300 403 1HZ LYS 56 1HZ LYS 56 -13.792 12.005 -4.098 404 2HZ LYS 56 2HZ LYS 56 -13.628 10.605 -3.254 405 3HZ LYS 56 3HZ LYS 56 -14.603 10.652 -4.580 406 H PHE 57 H PHE 57 -14.953 10.275 2.190 407 HA PHE 57 HA PHE 57 -12.369 9.545 0.765 408 1HB PHE 57 1HB PHE 57 -13.739 7.961 2.912 409 2HB PHE 57 2HB PHE 57 -12.069 7.874 2.354 410 HD1 PHE 57 HD1 PHE 57 -14.545 9.602 4.529 411 HD2 PHE 57 HD2 PHE 57 -10.454 9.608 3.094 412 HE1 PHE 57 HE1 PHE 57 -13.906 11.082 6.380 413 HE2 PHE 57 HE2 PHE 57 -9.831 11.147 5.028 414 HZ PHE 57 HZ PHE 57 -11.584 11.912 6.570 415 H GLY 58 H GLY 58 -15.585 8.276 1.569 416 1HA GLY 58 1HA GLY 58 -16.967 7.437 -0.397 417 2HA GLY 58 2HA GLY 58 -15.509 6.493 -0.830 418 H LYS 59 H LYS 59 -15.517 6.531 2.470 419 HA LYS 59 HA LYS 59 -16.900 3.878 2.609 420 1HB LYS 59 1HB LYS 59 -14.529 5.173 4.022 421 2HB LYS 59 2HB LYS 59 -15.490 4.019 4.947 422 1HG LYS 59 1HG LYS 59 -14.448 3.387 2.145 423 2HG LYS 59 2HG LYS 59 -13.476 3.101 3.584 424 1HD LYS 59 1HD LYS 59 -14.517 1.152 3.961 425 2HD LYS 59 2HD LYS 59 -16.039 1.965 4.203 426 1HE LYS 59 1HE LYS 59 -16.862 0.996 2.365 427 2HE LYS 59 2HE LYS 59 -15.773 2.004 1.413 428 1HZ LYS 59 1HZ LYS 59 -15.591 -0.814 1.985 429 2HZ LYS 59 2HZ LYS 59 -14.838 0.036 0.792 430 3HZ LYS 59 3HZ LYS 59 -14.194 -0.044 2.301 431 H SER 60 H SER 60 -18.478 3.477 3.859 432 HA SER 60 HA SER 60 -20.017 5.775 4.846 433 1HB SER 60 1HB SER 60 -20.910 3.596 3.730 434 2HB SER 60 2HB SER 60 -20.725 2.882 5.361 435 HG SER 60 HG SER 60 -22.628 3.785 5.611 436 H ASP 61 H ASP 61 -17.442 4.056 6.090 437 HA ASP 61 HA ASP 61 -18.316 3.902 8.904 438 1HB ASP 61 1HB ASP 61 -15.546 3.479 7.726 439 2HB ASP 61 2HB ASP 61 -16.141 3.010 9.315 440 H CYS 62 H CYS 62 -15.839 5.586 6.927 441 HA CYS 62 HA CYS 62 -15.163 7.341 9.095 442 1HB CYS 62 1HB CYS 62 -14.533 8.040 6.255 443 2HB CYS 62 2HB CYS 62 -13.548 8.267 7.662 444 H ASP 63 H ASP 63 -17.275 7.449 6.279 445 HA ASP 63 HA ASP 63 -17.984 10.260 6.373 446 1HB ASP 63 1HB ASP 63 -18.456 8.785 4.421 447 2HB ASP 63 2HB ASP 63 -19.539 7.810 5.448 448 H ARG 64 H ARG 64 -19.090 7.337 8.095 449 HA ARG 64 HA ARG 64 -21.444 8.439 9.121 450 1HB ARG 64 1HB ARG 64 -21.574 6.404 10.041 451 2HB ARG 64 2HB ARG 64 -19.978 6.019 9.424 452 1HG ARG 64 1HG ARG 64 -18.904 6.921 11.483 453 2HG ARG 64 2HG ARG 64 -20.550 6.956 12.183 454 1HD ARG 64 1HD ARG 64 -18.999 4.621 11.260 455 2HD ARG 64 2HD ARG 64 -19.498 5.115 12.886 456 HE ARG 64 HE ARG 64 -21.891 4.927 11.505 457 1HH1 ARG 64 2HH2 ARG 64 -19.292 2.741 11.735 458 2HH1 ARG 64 1HH2 ARG 64 -20.245 1.303 11.531 459 1HH2 ARG 64 2HH1 ARG 64 -23.177 3.128 11.178 460 2HH2 ARG 64 1HH1 ARG 64 -22.446 1.552 11.211 461 HA PRO 65 HA PRO 65 -20.130 11.186 12.198 462 1HB PRO 65 1HB PRO 65 -21.981 10.746 14.289 463 2HB PRO 65 2HB PRO 65 -22.187 11.736 12.791 464 1HG PRO 65 1HG PRO 65 -23.325 9.051 13.441 465 2HG PRO 65 2HG PRO 65 -23.887 10.285 12.238 466 1HD PRO 65 1HD PRO 65 -22.379 7.931 11.772 467 2HD PRO 65 2HD PRO 65 -22.834 9.170 10.576 468 HA PRO 66 HA PRO 66 -17.568 8.721 14.991 469 1HB PRO 66 1HB PRO 66 -16.417 10.841 16.443 470 2HB PRO 66 2HB PRO 66 -15.927 10.306 14.782 471 1HG PRO 66 1HG PRO 66 -17.390 12.741 15.537 472 2HG PRO 66 2HG PRO 66 -16.397 12.302 14.089 473 1HD PRO 66 1HD PRO 66 -19.250 12.310 14.313 474 2HD PRO 66 2HD PRO 66 -18.258 11.721 12.964 475 H LYS 67 H LYS 67 -17.047 8.623 17.446 476 HA LYS 67 HA LYS 67 -19.432 9.366 19.046 477 1HB LYS 67 1HB LYS 67 -19.978 7.214 18.261 478 2HB LYS 67 2HB LYS 67 -18.444 6.546 18.892 479 1HG LYS 67 1HG LYS 67 -19.431 6.190 20.842 480 2HG LYS 67 2HG LYS 67 -19.772 7.920 21.058 481 1HD LYS 67 1HD LYS 67 -21.831 7.831 19.950 482 2HD LYS 67 2HD LYS 67 -21.598 6.139 19.471 483 1HE LYS 67 1HE LYS 67 -22.435 5.408 21.390 484 2HE LYS 67 2HE LYS 67 -21.137 6.239 22.272 485 1HZ LYS 67 1HZ LYS 67 -23.282 7.088 23.029 486 2HZ LYS 67 2HZ LYS 67 -22.518 8.286 22.148 487 3HZ LYS 67 3HZ LYS 67 -23.731 7.450 21.488 488 H HIS 68 H HIS 68 -17.502 10.899 19.395 489 HA HIS 68 HA HIS 68 -15.413 9.910 21.185 490 1HB HIS 68 1HB HIS 68 -14.763 11.538 19.515 491 2HB HIS 68 2HB HIS 68 -15.988 12.663 20.142 492 HD1 HIS 68 HD1 HIS 68 -15.447 13.988 22.272 493 HD2 HIS 68 HD2 HIS 68 -12.564 11.125 21.117 494 HE1 HIS 68 HE1 HIS 68 -13.307 14.454 23.681 495 HE2 HIS 68 HE2 HIS 68 -11.546 12.675 22.900 496 H SER 69 H SER 69 -15.274 10.007 23.219 497 HA SER 69 HA SER 69 -17.586 11.324 24.779 498 1HB SER 69 1HB SER 69 -18.065 9.123 25.048 499 2HB SER 69 2HB SER 69 -16.344 8.687 25.064 500 HG SER 69 HG SER 69 -17.742 10.034 27.111 501 H LYS 70 H LYS 70 -14.874 9.891 26.200 502 HA LYS 70 HA LYS 70 -14.254 12.332 27.691 503 1HB LYS 70 1HB LYS 70 -13.613 9.445 27.868 504 2HB LYS 70 2HB LYS 70 -12.148 10.378 28.029 505 1HG LYS 70 1HG LYS 70 -12.792 10.461 30.210 506 2HG LYS 70 2HG LYS 70 -13.642 11.913 29.673 507 1HD LYS 70 1HD LYS 70 -15.738 10.700 29.442 508 2HD LYS 70 2HD LYS 70 -14.907 9.140 29.701 509 1HE LYS 70 1HE LYS 70 -14.198 9.981 31.979 510 2HE LYS 70 2HE LYS 70 -15.252 11.385 31.723 511 1HZ LYS 70 1HZ LYS 70 -16.522 9.763 32.893 512 2HZ LYS 70 2HZ LYS 70 -17.066 9.696 31.338 513 3HZ LYS 70 3HZ LYS 70 -16.043 8.535 31.910 514 H ASP 71 H ASP 71 -11.530 12.427 27.887 515 HA ASP 71 HA ASP 71 -10.911 13.862 25.368 516 1HB ASP 71 1HB ASP 71 -8.978 14.591 26.503 517 2HB ASP 71 2HB ASP 71 -10.352 14.753 27.607 518 H GLY 72 H GLY 72 -11.384 11.207 24.767 519 1HA GLY 72 1HA GLY 72 -8.952 10.496 23.492 520 2HA GLY 72 2HA GLY 72 -9.143 9.419 24.885 521 H ASN 73 H ASN 73 -10.503 7.817 24.693 522 HA ASN 73 HA ASN 73 -12.132 7.460 22.183 523 1HB ASN 73 1HB ASN 73 -11.964 4.991 22.973 524 2HB ASN 73 2HB ASN 73 -10.685 5.705 22.053 525 1HD2 ASN 73 1HD2 ASN 73 -11.297 3.781 24.684 526 2HD2 ASN 73 2HD2 ASN 73 -9.811 4.240 25.591 527 H GLY 74 H GLY 74 -12.406 5.580 25.042 528 1HA GLY 74 1HA GLY 74 -14.090 6.077 26.859 529 2HA GLY 74 2HA GLY 74 -15.207 6.559 25.531 530 H LYS 75 H LYS 75 -16.673 5.121 25.456 531 HA LYS 75 HA LYS 75 -16.368 2.294 26.209 532 1HB LYS 75 1HB LYS 75 -18.637 3.749 24.733 533 2HB LYS 75 2HB LYS 75 -18.731 2.088 25.372 534 1HG LYS 75 1HG LYS 75 -18.635 2.802 27.622 535 2HG LYS 75 2HG LYS 75 -18.011 4.414 27.219 536 1HD LYS 75 1HD LYS 75 -20.142 4.957 26.059 537 2HD LYS 75 2HD LYS 75 -20.790 3.387 26.625 538 1HE LYS 75 1HE LYS 75 -20.136 4.193 28.995 539 2HE LYS 75 2HE LYS 75 -19.859 5.786 28.265 540 1HZ LYS 75 1HZ LYS 75 -22.425 4.281 28.388 541 2HZ LYS 75 2HZ LYS 75 -22.119 5.737 29.063 542 3HZ LYS 75 3HZ LYS 75 -22.222 5.600 27.429 543 H THR 76 H THR 76 -17.629 3.353 23.088 544 HA THR 76 HA THR 76 -15.646 1.547 21.752 545 HB THR 76 HB THR 76 -18.052 0.615 22.115 546 HG1 THR 76 HG1 THR 76 -17.461 -0.694 20.587 547 1HG2 THR 76 1HG2 THR 76 -18.978 2.790 20.683 548 2HG2 THR 76 2HG2 THR 76 -18.702 1.615 19.407 549 3HG2 THR 76 3HG2 THR 76 -19.829 1.228 20.723 550 H ASP 77 H ASP 77 -15.423 4.373 22.085 551 HA ASP 77 HA ASP 77 -16.385 6.133 20.279 552 1HB ASP 77 1HB ASP 77 -14.413 6.248 21.993 553 2HB ASP 77 2HB ASP 77 -13.346 5.866 20.636 554 H HIS 78 H HIS 78 -17.074 5.364 18.338 555 HA HIS 78 HA HIS 78 -15.148 3.854 16.633 556 1HB HIS 78 1HB HIS 78 -16.943 3.441 15.149 557 2HB HIS 78 2HB HIS 78 -17.514 3.159 16.801 558 HD1 HIS 78 HD1 HIS 78 -19.693 3.571 14.805 559 HD2 HIS 78 HD2 HIS 78 -17.674 6.706 16.669 560 HE1 HIS 78 HE1 HIS 78 -21.275 5.726 14.683 561 HE2 HIS 78 HE2 HIS 78 -20.027 7.577 15.822 562 H TYR 79 H TYR 79 -14.989 6.776 17.371 563 HA TYR 79 HA TYR 79 -15.228 8.460 15.109 564 1HB TYR 79 1HB TYR 79 -13.885 9.964 16.411 565 2HB TYR 79 2HB TYR 79 -15.002 9.237 17.461 566 HD1 TYR 79 HD1 TYR 79 -12.712 10.461 18.758 567 HD2 TYR 79 HD2 TYR 79 -12.882 6.381 17.260 568 HE1 TYR 79 HE1 TYR 79 -10.796 9.760 20.080 569 HE2 TYR 79 HE2 TYR 79 -11.089 5.763 18.550 570 HH TYR 79 HH TYR 79 -8.921 7.639 19.706 571 H LEU 80 H LEU 80 -13.246 9.560 14.334 572 HA LEU 80 HA LEU 80 -11.367 7.442 13.253 573 1HB LEU 80 1HB LEU 80 -12.346 10.158 12.215 574 2HB LEU 80 2HB LEU 80 -10.819 9.441 11.696 575 HG LEU 80 HG LEU 80 -12.585 7.271 11.549 576 1HD1 LEU 80 1HD1 LEU 80 -14.045 9.086 9.788 577 2HD1 LEU 80 2HD1 LEU 80 -14.632 7.876 10.993 578 3HD1 LEU 80 3HD1 LEU 80 -14.301 9.511 11.463 579 1HD2 LEU 80 1HD2 LEU 80 -12.199 7.525 9.067 580 2HD2 LEU 80 2HD2 LEU 80 -11.693 9.152 9.380 581 3HD2 LEU 80 3HD2 LEU 80 -10.774 7.721 10.035 582 H LEU 81 H LEU 81 -9.249 7.517 13.618 583 HA LEU 81 HA LEU 81 -8.213 9.889 15.137 584 1HB LEU 81 1HB LEU 81 -8.371 8.390 16.843 585 2HB LEU 81 2HB LEU 81 -8.180 6.955 15.825 586 HG LEU 81 HG LEU 81 -5.836 8.823 16.372 587 1HD1 LEU 81 1HD1 LEU 81 -6.857 6.425 17.905 588 2HD1 LEU 81 2HD1 LEU 81 -5.224 7.068 18.003 589 3HD1 LEU 81 3HD1 LEU 81 -6.527 8.131 18.435 590 1HD2 LEU 81 1HD2 LEU 81 -4.813 6.404 15.983 591 2HD2 LEU 81 2HD2 LEU 81 -6.201 6.498 14.811 592 3HD2 LEU 81 3HD2 LEU 81 -4.907 7.675 14.783 593 H GLU 82 H GLU 82 -6.647 10.823 14.246 594 HA GLU 82 HA GLU 82 -5.384 9.589 11.865 595 1HB GLU 82 1HB GLU 82 -4.462 11.758 11.413 596 2HB GLU 82 2HB GLU 82 -6.220 11.929 11.736 597 1HG GLU 82 1HG GLU 82 -4.146 12.433 13.826 598 2HG GLU 82 2HG GLU 82 -4.337 13.573 12.547 599 H PHE 83 H PHE 83 -3.052 9.795 11.554 600 HA PHE 83 HA PHE 83 -1.478 9.933 14.082 601 1HB PHE 83 1HB PHE 83 -2.254 7.600 13.816 602 2HB PHE 83 2HB PHE 83 -1.504 7.588 12.252 603 HD1 PHE 83 HD1 PHE 83 0.643 6.818 11.843 604 HD2 PHE 83 HD2 PHE 83 -0.484 8.281 15.800 605 HE1 PHE 83 HE1 PHE 83 2.790 6.128 12.833 606 HE2 PHE 83 HE2 PHE 83 1.628 7.494 16.728 607 HZ PHE 83 HZ PHE 83 3.255 6.359 15.106 608 HA PRO 84 HA PRO 84 1.326 11.765 11.019 609 1HB PRO 84 1HB PRO 84 3.482 12.240 12.711 610 2HB PRO 84 2HB PRO 84 2.023 13.283 12.544 611 1HG PRO 84 1HG PRO 84 2.712 11.409 14.704 612 2HG PRO 84 2HG PRO 84 1.663 12.866 14.692 613 1HD PRO 84 1HD PRO 84 1.004 10.073 14.600 614 2HD PRO 84 2HD PRO 84 -0.129 11.459 14.403 615 H THR 85 H THR 85 1.935 10.432 9.562 616 HA THR 85 HA THR 85 3.874 8.325 10.258 617 HB THR 85 HB THR 85 2.060 7.178 9.417 618 HG1 THR 85 HG1 THR 85 3.748 6.505 8.264 619 1HG2 THR 85 1HG2 THR 85 0.545 8.842 8.693 620 2HG2 THR 85 2HG2 THR 85 1.682 9.476 7.481 621 3HG2 THR 85 3HG2 THR 85 0.906 7.912 7.229 622 H PHE 86 H PHE 86 5.826 8.861 9.903 623 HA PHE 86 HA PHE 86 6.520 10.876 7.902 624 1HB PHE 86 1HB PHE 86 8.188 9.138 9.752 625 2HB PHE 86 2HB PHE 86 8.850 10.396 8.744 626 HD1 PHE 86 HD1 PHE 86 6.430 9.807 11.512 627 HD2 PHE 86 HD2 PHE 86 8.876 12.702 9.370 628 HE1 PHE 86 HE1 PHE 86 5.946 11.535 13.230 629 HE2 PHE 86 HE2 PHE 86 8.421 14.381 11.167 630 HZ PHE 86 HZ PHE 86 7.019 13.683 13.133 631 HA PRO 87 HA PRO 87 7.603 8.106 4.629 632 1HB PRO 87 1HB PRO 87 9.785 9.459 3.480 633 2HB PRO 87 2HB PRO 87 8.046 9.856 3.291 634 1HG PRO 87 1HG PRO 87 10.077 11.339 4.822 635 2HG PRO 87 2HG PRO 87 8.483 11.880 4.138 636 1HD PRO 87 1HD PRO 87 9.127 11.148 6.810 637 2HD PRO 87 2HD PRO 87 7.531 11.590 6.161 638 H ASP 88 H ASP 88 10.443 9.393 6.449 639 HA ASP 88 HA ASP 88 12.465 7.631 5.894 640 1HB ASP 88 1HB ASP 88 11.772 8.089 8.741 641 2HB ASP 88 2HB ASP 88 13.379 8.046 8.015 642 H GLY 89 H GLY 89 9.522 6.987 7.610 643 1HA GLY 89 1HA GLY 89 8.448 4.979 8.013 644 2HA GLY 89 2HA GLY 89 9.974 4.141 7.518 645 H HIS 90 H HIS 90 10.842 6.364 9.584 646 HA HIS 90 HA HIS 90 11.460 4.421 11.649 647 1HB HIS 90 1HB HIS 90 12.605 6.205 12.773 648 2HB HIS 90 2HB HIS 90 12.935 6.347 11.048 649 HD1 HIS 90 HD1 HIS 90 12.919 8.828 10.271 650 HD2 HIS 90 HD2 HIS 90 10.325 8.018 13.501 651 HE1 HIS 90 HE1 HIS 90 11.773 11.039 10.820 652 HE2 HIS 90 HE2 HIS 90 10.209 10.639 12.731 653 H ASP 91 H ASP 91 10.292 3.931 13.369 654 HA ASP 91 HA ASP 91 7.521 4.670 13.748 655 1HB ASP 91 1HB ASP 91 8.458 2.593 14.603 656 2HB ASP 91 2HB ASP 91 9.613 3.478 15.625 657 H TYR 92 H TYR 92 7.474 6.933 13.614 658 HA TYR 92 HA TYR 92 8.761 8.916 14.808 659 1HB TYR 92 1HB TYR 92 6.844 9.322 13.540 660 2HB TYR 92 2HB TYR 92 5.807 8.405 14.556 661 HD1 TYR 92 HD1 TYR 92 4.197 9.861 15.347 662 HD2 TYR 92 HD2 TYR 92 8.299 11.147 15.390 663 HE1 TYR 92 HE1 TYR 92 3.570 11.883 16.714 664 HE2 TYR 92 HE2 TYR 92 7.719 13.065 16.730 665 HH TYR 92 HH TYR 92 5.869 14.448 17.094 666 H LYS 93 H LYS 93 8.988 9.889 16.830 667 HA LYS 93 HA LYS 93 8.530 8.080 19.110 668 1HB LYS 93 1HB LYS 93 9.552 10.016 20.383 669 2HB LYS 93 2HB LYS 93 10.573 9.244 19.140 670 1HG LYS 93 1HG LYS 93 10.379 11.067 17.632 671 2HG LYS 93 2HG LYS 93 8.951 11.734 18.439 672 1HD LYS 93 1HD LYS 93 10.910 13.026 18.920 673 2HD LYS 93 2HD LYS 93 10.262 12.306 20.413 674 1HE LYS 93 1HE LYS 93 12.064 10.799 20.504 675 2HE LYS 93 2HE LYS 93 12.439 10.983 18.761 676 1HZ LYS 93 1HZ LYS 93 12.753 13.187 20.681 677 2HZ LYS 93 2HZ LYS 93 13.998 12.185 20.259 678 3HZ LYS 93 3HZ LYS 93 13.304 13.142 19.125 679 H PHE 94 H PHE 94 6.181 8.179 18.348 680 HA PHE 94 HA PHE 94 4.605 10.514 19.248 681 1HB PHE 94 1HB PHE 94 2.749 9.039 18.686 682 2HB PHE 94 2HB PHE 94 3.744 9.365 17.386 683 HD1 PHE 94 HD1 PHE 94 2.673 6.751 19.804 684 HD2 PHE 94 HD2 PHE 94 5.032 7.678 16.345 685 HE1 PHE 94 HE1 PHE 94 3.073 4.304 19.365 686 HE2 PHE 94 HE2 PHE 94 5.507 5.286 15.952 687 HZ PHE 94 HZ PHE 94 4.493 3.594 17.426 688 H ASP 95 H ASP 95 6.228 8.057 20.855 689 HA ASP 95 HA ASP 95 4.157 7.829 23.033 690 1HB ASP 95 1HB ASP 95 5.753 5.904 21.710 691 2HB ASP 95 2HB ASP 95 6.639 6.232 23.195 692 H SER 96 H SER 96 7.311 9.032 22.209 693 HA SER 96 HA SER 96 7.917 9.744 25.067 694 1HB SER 96 1HB SER 96 9.642 9.513 22.580 695 2HB SER 96 2HB SER 96 10.150 10.419 24.045 696 HG SER 96 HG SER 96 10.780 8.218 24.162 697 H LYS 97 H LYS 97 6.982 11.526 25.558 698 HA LYS 97 HA LYS 97 6.513 13.687 23.671 699 1HB LYS 97 1HB LYS 97 5.310 14.735 25.301 700 2HB LYS 97 2HB LYS 97 5.411 13.095 25.989 701 1HG LYS 97 1HG LYS 97 7.369 13.773 27.340 702 2HG LYS 97 2HG LYS 97 7.000 15.462 26.825 703 1HD LYS 97 1HD LYS 97 5.955 15.247 28.878 704 2HD LYS 97 2HD LYS 97 4.627 14.890 27.726 705 1HE LYS 97 1HE LYS 97 5.440 12.374 28.032 706 2HE LYS 97 2HE LYS 97 6.292 12.997 29.452 707 1HZ LYS 97 1HZ LYS 97 3.851 14.018 29.817 708 2HZ LYS 97 2HZ LYS 97 3.421 12.682 28.991 709 3HZ LYS 97 3HZ LYS 97 4.263 12.531 30.401 710 H LYS 98 H LYS 98 8.969 12.914 26.062 711 HA LYS 98 HA LYS 98 10.497 15.295 25.114 712 1HB LYS 98 1HB LYS 98 9.502 15.576 27.404 713 2HB LYS 98 2HB LYS 98 10.809 14.462 27.937 714 1HG LYS 98 1HG LYS 98 12.304 16.144 26.413 715 2HG LYS 98 2HG LYS 98 10.934 17.246 26.667 716 1HD LYS 98 1HD LYS 98 11.196 16.986 29.110 717 2HD LYS 98 2HD LYS 98 12.501 15.793 28.836 718 1HE LYS 98 1HE LYS 98 13.752 17.624 27.567 719 2HE LYS 98 2HE LYS 98 12.518 18.757 28.147 720 1HZ LYS 98 1HZ LYS 98 13.287 17.475 30.412 721 2HZ LYS 98 2HZ LYS 98 14.707 17.537 29.603 722 3HZ LYS 98 3HZ LYS 98 13.893 18.922 29.935 723 HA PRO 99 HA PRO 99 12.122 15.753 24.100 724 1HB PRO 99 1HB PRO 99 13.357 15.147 21.740 725 2HB PRO 99 2HB PRO 99 14.096 15.718 23.280 726 1HG PRO 99 1HG PRO 99 14.200 12.989 22.112 727 2HG PRO 99 2HG PRO 99 15.298 13.762 23.272 728 1HD PRO 99 1HD PRO 99 13.138 11.879 23.753 729 2HD PRO 99 2HD PRO 99 14.194 12.672 24.974 730 H LYS 100 H LYS 100 11.233 16.363 21.852 731 HA LYS 100 HA LYS 100 9.284 14.375 20.761 732 1HB LYS 100 1HB LYS 100 8.652 16.790 22.324 733 2HB LYS 100 2HB LYS 100 8.102 17.052 20.720 734 1HG LYS 100 1HG LYS 100 7.517 14.291 21.828 735 2HG LYS 100 2HG LYS 100 6.666 15.628 22.588 736 1HD LYS 100 1HD LYS 100 6.582 15.958 19.704 737 2HD LYS 100 2HD LYS 100 6.059 14.381 20.102 738 1HE LYS 100 1HE LYS 100 4.292 15.192 21.582 739 2HE LYS 100 2HE LYS 100 5.085 16.735 21.795 740 1HZ LYS 100 1HZ LYS 100 3.805 17.443 20.164 741 2HZ LYS 100 2HZ LYS 100 4.678 16.501 19.119 742 3HZ LYS 100 3HZ LYS 100 3.260 15.921 19.799 743 H GLU 101 H GLU 101 9.214 14.278 18.692 744 HA GLU 101 HA GLU 101 10.913 16.214 17.124 745 1HB GLU 101 1HB GLU 101 11.625 13.924 17.020 746 2HB GLU 101 2HB GLU 101 10.024 13.372 16.472 747 1HG GLU 101 1HG GLU 101 10.198 14.601 14.422 748 2HG GLU 101 2HG GLU 101 11.622 15.505 14.991 749 H ASN 102 H ASN 102 10.014 17.525 15.764 750 HA ASN 102 HA ASN 102 7.413 18.264 15.668 751 1HB ASN 102 1HB ASN 102 9.339 19.406 14.485 752 2HB ASN 102 2HB ASN 102 9.150 18.173 13.186 753 1HD2 ASN 102 1HD2 ASN 102 7.253 18.210 11.840 754 2HD2 ASN 102 2HD2 ASN 102 6.270 19.681 11.849 755 HA PRO 103 HA PRO 103 5.358 14.754 13.767 756 1HB PRO 103 1HB PRO 103 2.840 15.945 13.361 757 2HB PRO 103 2HB PRO 103 3.482 15.220 14.864 758 1HG PRO 103 1HG PRO 103 3.142 18.095 14.101 759 2HG PRO 103 2HG PRO 103 3.204 17.336 15.748 760 1HD PRO 103 1HD PRO 103 5.260 18.707 14.354 761 2HD PRO 103 2HD PRO 103 5.375 17.847 15.923 762 H GLY 104 H GLY 104 3.454 14.917 11.781 763 1HA GLY 104 1HA GLY 104 4.862 16.235 9.504 764 2HA GLY 104 2HA GLY 104 4.266 14.551 9.372 765 HA PRO 105 HA PRO 105 0.888 17.735 8.381 766 1HB PRO 105 1HB PRO 105 1.141 17.832 5.575 767 2HB PRO 105 2HB PRO 105 1.804 19.008 6.745 768 1HG PRO 105 1HG PRO 105 3.225 16.930 5.160 769 2HG PRO 105 2HG PRO 105 3.868 18.439 5.924 770 1HD PRO 105 1HD PRO 105 4.059 15.742 6.898 771 2HD PRO 105 2HD PRO 105 4.592 17.260 7.697 772 H ALA 106 H ALA 106 2.059 14.838 6.578 773 HA ALA 106 HA ALA 106 -0.666 14.035 5.869 774 1HB ALA 106 1HB ALA 106 1.830 12.413 5.555 775 2HB ALA 106 2HB ALA 106 0.343 12.399 4.577 776 3HB ALA 106 3HB ALA 106 1.395 13.815 4.492 777 H ARG 107 H ARG 107 -1.825 12.584 6.885 778 HA ARG 107 HA ARG 107 -0.622 10.858 8.957 779 1HB ARG 107 1HB ARG 107 -2.975 12.804 9.456 780 2HB ARG 107 2HB ARG 107 -2.490 11.466 10.509 781 1HG ARG 107 1HG ARG 107 -0.121 12.798 10.260 782 2HG ARG 107 2HG ARG 107 -1.179 14.129 10.035 783 1HD ARG 107 1HD ARG 107 -1.889 12.363 12.358 784 2HD ARG 107 2HD ARG 107 -0.255 13.014 12.424 785 HE ARG 107 HE ARG 107 -2.692 14.475 12.635 786 1HH1 ARG 107 2HH2 ARG 107 0.637 14.706 11.876 787 2HH1 ARG 107 1HH2 ARG 107 0.818 16.352 12.194 788 1HH2 ARG 107 2HH1 ARG 107 -2.476 16.657 13.166 789 2HH2 ARG 107 1HH1 ARG 107 -0.919 17.381 13.064 790 H VAL 108 H VAL 108 -1.748 9.056 9.461 791 HA VAL 108 HA VAL 108 -3.610 8.157 7.304 792 HB VAL 108 HB VAL 108 -1.831 6.691 7.833 793 1HG1 VAL 108 1HG1 VAL 108 -1.061 7.226 9.991 794 2HG1 VAL 108 2HG1 VAL 108 -2.673 6.911 10.727 795 3HG1 VAL 108 3HG1 VAL 108 -1.768 5.615 10.154 796 1HG2 VAL 108 1HG2 VAL 108 -3.176 5.012 7.484 797 2HG2 VAL 108 2HG2 VAL 108 -3.655 4.914 9.183 798 3HG2 VAL 108 3HG2 VAL 108 -4.600 5.880 8.061 799 H ILE 109 H ILE 109 -5.676 8.386 7.496 800 HA ILE 109 HA ILE 109 -6.911 8.696 10.240 801 HB ILE 109 HB ILE 109 -7.595 9.748 7.513 802 1HG1 ILE 109 1HG1 ILE 109 -7.610 11.836 8.604 803 2HG1 ILE 109 2HG1 ILE 109 -7.568 11.165 10.234 804 1HG2 ILE 109 1HG2 ILE 109 -9.734 10.466 8.402 805 2HG2 ILE 109 2HG2 ILE 109 -9.627 8.782 8.380 806 3HG2 ILE 109 3HG2 ILE 109 -9.356 9.611 9.954 807 1HD1 ILE 109 1HD1 ILE 109 -5.318 10.446 9.910 808 2HD1 ILE 109 2HD1 ILE 109 -5.377 10.816 8.180 809 3HD1 ILE 109 3HD1 ILE 109 -5.306 12.095 9.438 810 H TYR 110 H TYR 110 -7.776 7.016 11.052 811 HA TYR 110 HA TYR 110 -9.323 5.189 9.264 812 1HB TYR 110 1HB TYR 110 -8.230 3.305 10.224 813 2HB TYR 110 2HB TYR 110 -6.994 4.367 9.592 814 HD1 TYR 110 HD1 TYR 110 -5.124 4.921 10.974 815 HD2 TYR 110 HD2 TYR 110 -8.794 3.668 12.860 816 HE1 TYR 110 HE1 TYR 110 -4.046 4.851 13.216 817 HE2 TYR 110 HE2 TYR 110 -7.810 3.722 15.042 818 HH TYR 110 HH TYR 110 -4.312 4.504 15.400 819 H THR 111 H THR 111 -11.035 4.222 10.233 820 HA THR 111 HA THR 111 -12.054 5.549 12.654 821 HB THR 111 HB THR 111 -14.117 4.547 12.106 822 HG1 THR 111 HG1 THR 111 -13.557 2.418 11.938 823 1HG2 THR 111 1HG2 THR 111 -13.305 4.344 9.231 824 2HG2 THR 111 2HG2 THR 111 -14.449 5.469 10.045 825 3HG2 THR 111 3HG2 THR 111 -12.740 5.769 9.958 826 H TYR 112 H TYR 112 -12.840 4.436 14.497 827 HA TYR 112 HA TYR 112 -11.085 2.121 15.108 828 1HB TYR 112 1HB TYR 112 -10.503 3.717 16.522 829 2HB TYR 112 2HB TYR 112 -12.128 4.362 16.693 830 HD1 TYR 112 HD1 TYR 112 -9.662 2.641 18.431 831 HD2 TYR 112 HD2 TYR 112 -13.912 2.567 17.839 832 HE1 TYR 112 HE1 TYR 112 -9.977 1.334 20.553 833 HE2 TYR 112 HE2 TYR 112 -14.265 1.397 19.876 834 HH TYR 112 HH TYR 112 -12.902 1.188 22.143 835 HA PRO 113 HA PRO 113 -10.921 0.705 16.847 836 1HB PRO 113 1HB PRO 113 -11.030 -2.007 17.014 837 2HB PRO 113 2HB PRO 113 -11.470 -0.844 18.312 838 1HG PRO 113 1HG PRO 113 -13.259 -2.507 16.601 839 2HG PRO 113 2HG PRO 113 -13.573 -1.773 18.221 840 1HD PRO 113 1HD PRO 113 -14.472 -0.783 15.648 841 2HD PRO 113 2HD PRO 113 -14.617 0.025 17.227 842 H ASN 114 H ASN 114 -12.468 -1.514 14.573 843 HA ASN 114 HA ASN 114 -10.252 -2.377 13.142 844 1HB ASN 114 1HB ASN 114 -13.041 -2.618 12.805 845 2HB ASN 114 2HB ASN 114 -12.653 -1.578 11.465 846 1HD2 ASN 114 1HD2 ASN 114 -12.751 -2.817 9.749 847 2HD2 ASN 114 2HD2 ASN 114 -11.804 -4.322 9.598 848 H LYS 115 H LYS 115 -8.665 -1.086 12.480 849 HA LYS 115 HA LYS 115 -8.878 1.662 11.800 850 1HB LYS 115 1HB LYS 115 -6.715 -0.479 11.563 851 2HB LYS 115 2HB LYS 115 -6.454 1.075 10.741 852 1HG LYS 115 1HG LYS 115 -5.939 2.086 12.535 853 2HG LYS 115 2HG LYS 115 -7.390 1.498 13.459 854 1HD LYS 115 1HD LYS 115 -4.807 0.014 13.088 855 2HD LYS 115 2HD LYS 115 -5.124 1.143 14.408 856 1HE LYS 115 1HE LYS 115 -6.104 -0.570 15.495 857 2HE LYS 115 2HE LYS 115 -7.497 -0.260 14.468 858 1HZ LYS 115 1HZ LYS 115 -6.460 -2.627 14.587 859 2HZ LYS 115 2HZ LYS 115 -6.915 -2.050 13.099 860 3HZ LYS 115 3HZ LYS 115 -5.340 -2.011 13.534 861 H VAL 116 H VAL 116 -10.675 1.468 10.456 862 HA VAL 116 HA VAL 116 -10.480 0.316 7.779 863 HB VAL 116 HB VAL 116 -12.420 2.224 9.061 864 1HG1 VAL 116 1HG1 VAL 116 -13.005 2.942 7.070 865 2HG1 VAL 116 2HG1 VAL 116 -12.127 1.651 6.198 866 3HG1 VAL 116 3HG1 VAL 116 -13.747 1.382 6.767 867 1HG2 VAL 116 1HG2 VAL 116 -13.583 0.389 9.696 868 2HG2 VAL 116 2HG2 VAL 116 -13.512 -0.333 8.088 869 3HG2 VAL 116 3HG2 VAL 116 -12.180 -0.591 9.217 870 H PHE 117 H PHE 117 -8.323 1.353 7.648 871 HA PHE 117 HA PHE 117 -7.519 3.915 7.276 872 1HB PHE 117 1HB PHE 117 -6.019 2.075 6.886 873 2HB PHE 117 2HB PHE 117 -7.048 1.449 5.585 874 HD1 PHE 117 HD1 PHE 117 -4.905 4.291 6.512 875 HD2 PHE 117 HD2 PHE 117 -6.854 2.132 3.329 876 HE1 PHE 117 HE1 PHE 117 -3.641 5.664 4.840 877 HE2 PHE 117 HE2 PHE 117 -5.625 3.410 1.664 878 HZ PHE 117 HZ PHE 117 -4.075 5.290 2.472 879 H CYS 118 H CYS 118 -8.822 5.504 6.571 880 HA CYS 118 HA CYS 118 -10.496 5.088 4.215 881 1HB CYS 118 1HB CYS 118 -10.504 6.838 6.506 882 2HB CYS 118 2HB CYS 118 -10.313 7.853 5.062 883 H GLY 119 H GLY 119 -7.549 6.821 5.111 884 1HA GLY 119 1HA GLY 119 -6.151 6.621 2.832 885 2HA GLY 119 2HA GLY 119 -7.187 8.048 2.513 886 H ILE 120 H ILE 120 -5.535 9.556 2.566 887 HA ILE 120 HA ILE 120 -4.176 9.900 5.237 888 HB ILE 120 HB ILE 120 -2.893 10.374 2.540 889 1HG1 ILE 120 1HG1 ILE 120 -3.366 7.803 3.211 890 2HG1 ILE 120 2HG1 ILE 120 -1.973 8.451 2.441 891 1HG2 ILE 120 1HG2 ILE 120 -0.829 10.628 3.853 892 2HG2 ILE 120 2HG2 ILE 120 -2.023 11.745 4.558 893 3HG2 ILE 120 3HG2 ILE 120 -1.703 10.256 5.357 894 1HD1 ILE 120 1HD1 ILE 120 -2.127 7.938 5.346 895 2HD1 ILE 120 2HD1 ILE 120 -1.512 6.835 4.039 896 3HD1 ILE 120 3HD1 ILE 120 -0.646 8.338 4.368 897 H ILE 121 H ILE 121 -4.077 11.944 5.886 898 HA ILE 121 HA ILE 121 -5.354 14.003 4.088 899 HB ILE 121 HB ILE 121 -6.713 14.806 5.810 900 1HG1 ILE 121 1HG1 ILE 121 -5.070 13.223 7.795 901 2HG1 ILE 121 2HG1 ILE 121 -4.952 14.922 7.595 902 1HG2 ILE 121 1HG2 ILE 121 -6.676 11.741 6.149 903 2HG2 ILE 121 2HG2 ILE 121 -7.963 12.762 6.749 904 3HG2 ILE 121 3HG2 ILE 121 -7.684 12.769 5.067 905 1HD1 ILE 121 1HD1 ILE 121 -6.837 13.681 9.317 906 2HD1 ILE 121 2HD1 ILE 121 -6.576 15.338 9.044 907 3HD1 ILE 121 3HD1 ILE 121 -7.672 14.541 7.951 908 H ALA 122 H ALA 122 -4.744 16.164 4.532 909 HA ALA 122 HA ALA 122 -2.715 16.921 6.412 910 1HB ALA 122 1HB ALA 122 -1.479 15.382 4.503 911 2HB ALA 122 2HB ALA 122 -1.533 16.959 3.644 912 3HB ALA 122 3HB ALA 122 -0.693 16.792 5.159 913 H HIS 123 H HIS 123 -1.895 19.084 5.945 914 HA HIS 123 HA HIS 123 -3.968 20.669 4.555 915 1HB HIS 123 1HB HIS 123 -1.722 21.947 6.173 916 2HB HIS 123 2HB HIS 123 -3.359 22.472 5.912 917 HD1 HIS 123 HD1 HIS 123 -4.972 22.029 7.879 918 HD2 HIS 123 HD2 HIS 123 -1.479 19.609 7.819 919 HE1 HIS 123 HE1 HIS 123 -4.991 20.623 10.074 920 HE2 HIS 123 HE2 HIS 123 -2.876 19.097 9.989 921 H THR 124 H THR 124 -3.488 20.420 2.453 922 HA THR 124 HA THR 124 -0.794 21.287 1.465 923 HB THR 124 HB THR 124 -1.846 20.266 -0.711 924 HG1 THR 124 HG1 THR 124 -3.301 18.565 0.009 925 1HG2 THR 124 1HG2 THR 124 -0.198 19.139 0.918 926 2HG2 THR 124 2HG2 THR 124 -1.615 18.276 1.584 927 3HG2 THR 124 3HG2 THR 124 -1.237 18.133 -0.152 928 H LYS 125 H LYS 125 -2.203 23.237 2.511 929 HA LYS 125 HA LYS 125 -3.155 24.876 0.144 930 1HB LYS 125 1HB LYS 125 -4.877 24.448 1.942 931 2HB LYS 125 2HB LYS 125 -3.848 25.302 3.090 932 1HG LYS 125 1HG LYS 125 -4.931 27.182 2.463 933 2HG LYS 125 2HG LYS 125 -4.033 27.158 0.958 934 1HD LYS 125 1HD LYS 125 -5.654 26.039 -0.272 935 2HD LYS 125 2HD LYS 125 -6.636 25.663 1.172 936 1HE LYS 125 1HE LYS 125 -5.953 28.529 0.451 937 2HE LYS 125 2HE LYS 125 -7.305 27.696 -0.326 938 1HZ LYS 125 1HZ LYS 125 -7.236 28.791 2.307 939 2HZ LYS 125 2HZ LYS 125 -8.517 28.155 1.515 940 3HZ LYS 125 3HZ LYS 125 -7.559 27.218 2.452 941 H GLU 126 H GLU 126 -0.761 24.543 2.645 942 HA GLU 126 HA GLU 126 0.954 26.421 1.453 943 1HB GLU 126 1HB GLU 126 -1.039 27.665 3.163 944 2HB GLU 126 2HB GLU 126 0.445 27.689 4.050 945 1HG GLU 126 1HG GLU 126 0.663 28.460 1.137 946 2HG GLU 126 2HG GLU 126 -0.281 29.522 2.173 947 H ASN 127 H ASN 127 0.214 25.645 4.790 948 HA ASN 127 HA ASN 127 2.479 23.766 4.974 949 1HB ASN 127 1HB ASN 127 2.874 26.546 5.634 950 2HB ASN 127 2HB ASN 127 2.658 25.716 7.178 951 1HD2 ASN 127 1HD2 ASN 127 4.409 24.820 8.053 952 2HD2 ASN 127 2HD2 ASN 127 5.858 24.419 7.065 953 H GLN 128 H GLN 128 0.091 25.609 6.778 954 HA GLN 128 HA GLN 128 -1.133 23.250 7.884 955 1HB GLN 128 1HB GLN 128 0.902 24.805 9.421 956 2HB GLN 128 2HB GLN 128 -0.606 24.671 10.291 957 1HG GLN 128 1HG GLN 128 0.121 22.062 9.119 958 2HG GLN 128 2HG GLN 128 1.357 22.715 10.192 959 1HE2 GLN 128 1HE2 GLN 128 -2.231 22.622 10.038 960 2HE2 GLN 128 2HE2 GLN 128 -2.388 22.131 11.746 961 H GLY 129 H GLY 129 -2.742 24.185 6.542 962 1HA GLY 129 1HA GLY 129 -4.301 26.339 8.011 963 2HA GLY 129 2HA GLY 129 -4.215 26.218 6.240 964 H GLU 130 H GLU 130 -5.703 24.986 5.250 965 HA GLU 130 HA GLU 130 -7.768 23.685 6.926 966 1HB GLU 130 1HB GLU 130 -7.530 24.700 4.126 967 2HB GLU 130 2HB GLU 130 -8.296 23.141 4.196 968 1HG GLU 130 1HG GLU 130 -10.123 24.563 4.507 969 2HG GLU 130 2HG GLU 130 -9.741 24.018 6.142 970 H LEU 131 H LEU 131 -8.591 21.511 6.367 971 HA LEU 131 HA LEU 131 -6.264 19.634 5.883 972 1HB LEU 131 1HB LEU 131 -8.410 19.800 7.897 973 2HB LEU 131 2HB LEU 131 -8.524 18.270 7.032 974 HG LEU 131 HG LEU 131 -5.927 19.313 8.162 975 1HD1 LEU 131 1HD1 LEU 131 -8.010 18.817 9.834 976 2HD1 LEU 131 2HD1 LEU 131 -7.378 17.201 9.659 977 3HD1 LEU 131 3HD1 LEU 131 -6.326 18.451 10.263 978 1HD2 LEU 131 1HD2 LEU 131 -5.561 17.628 6.492 979 2HD2 LEU 131 2HD2 LEU 131 -5.285 16.968 8.114 980 3HD2 LEU 131 3HD2 LEU 131 -6.826 16.663 7.203 981 H LYS 132 H LYS 132 -6.510 17.985 4.495 982 HA LYS 132 HA LYS 132 -8.976 17.528 2.943 983 1HB LYS 132 1HB LYS 132 -7.741 17.992 0.795 984 2HB LYS 132 2HB LYS 132 -8.287 19.378 1.732 985 1HG LYS 132 1HG LYS 132 -5.905 19.595 2.667 986 2HG LYS 132 2HG LYS 132 -5.431 18.337 1.501 987 1HD LYS 132 1HD LYS 132 -6.916 20.964 0.832 988 2HD LYS 132 2HD LYS 132 -5.201 20.920 1.020 989 1HE LYS 132 1HE LYS 132 -4.915 20.185 -1.080 990 2HE LYS 132 2HE LYS 132 -5.724 18.675 -0.667 991 1HZ LYS 132 1HZ LYS 132 -7.711 19.464 -1.484 992 2HZ LYS 132 2HZ LYS 132 -7.305 21.052 -1.269 993 3HZ LYS 132 3HZ LYS 132 -6.659 20.217 -2.526 994 H LEU 133 H LEU 133 -8.453 15.920 1.187 995 HA LEU 133 HA LEU 133 -6.918 13.750 2.517 996 1HB LEU 133 1HB LEU 133 -9.336 13.545 1.500 997 2HB LEU 133 2HB LEU 133 -8.568 13.547 -0.048 998 HG LEU 133 HG LEU 133 -7.181 11.524 0.831 999 1HD1 LEU 133 1HD1 LEU 133 -9.281 11.701 3.007 1000 2HD1 LEU 133 2HD1 LEU 133 -8.195 10.286 2.776 1001 3HD1 LEU 133 3HD1 LEU 133 -7.581 11.849 3.240 1002 1HD2 LEU 133 1HD2 LEU 133 -10.217 11.122 0.831 1003 2HD2 LEU 133 2HD2 LEU 133 -9.250 11.393 -0.628 1004 3HD2 LEU 133 3HD2 LEU 133 -8.950 9.958 0.365 1005 H CYS 134 H CYS 134 -5.183 12.760 1.585 1006 HA CYS 134 HA CYS 134 -3.472 14.291 -0.201 1007 1HB CYS 134 1HB CYS 134 -3.344 11.392 0.766 1008 2HB CYS 134 2HB CYS 134 -2.043 12.226 0.007 1009 H SER 135 H SER 135 -2.380 12.669 -1.899 1010 HA SER 135 HA SER 135 -4.593 11.686 -3.734 1011 1HB SER 135 1HB SER 135 -3.362 12.742 -5.582 1012 2HB SER 135 2HB SER 135 -4.189 13.889 -4.483 1013 HG SER 135 HG SER 135 -2.294 14.643 -3.841 1014 H HIS 136 H HIS 136 -4.201 9.626 -3.582 1015 HA HIS 136 HA HIS 136 -1.437 8.564 -4.114 1016 1HB HIS 136 1HB HIS 136 -2.070 6.541 -3.045 1017 2HB HIS 136 2HB HIS 136 -2.419 7.917 -2.013 1018 HD1 HIS 136 HD1 HIS 136 -5.133 8.674 -2.058 1019 HD2 HIS 136 HD2 HIS 136 -4.089 4.859 -3.377 1020 HE1 HIS 136 HE1 HIS 136 -7.324 7.308 -2.062 1021 HE2 HIS 136 HE2 HIS 136 -6.672 4.932 -2.839 Start of MODEL 10 1 1H ALA 1 H1 ALA 1 1.461 -0.906 0.452 2 2H ALA 1 H2 ALA 1 0.342 0.109 -0.220 3 3H ALA 1 H3 ALA 1 1.665 0.741 0.574 4 HA ALA 1 HA ALA 1 1.368 0.172 -2.075 5 1HB ALA 1 1HB ALA 1 4.099 0.785 -1.349 6 2HB ALA 1 2HB ALA 1 2.895 1.829 -2.074 7 3HB ALA 1 3HB ALA 1 2.993 1.705 -0.315 8 H VAL 2 H VAL 2 4.054 -0.580 -2.781 9 HA VAL 2 HA VAL 2 3.719 -3.425 -2.767 10 HB VAL 2 HB VAL 2 4.613 -2.286 -4.688 11 1HG1 VAL 2 1HG1 VAL 2 5.660 -0.329 -3.934 12 2HG1 VAL 2 2HG1 VAL 2 6.661 -1.203 -2.756 13 3HG1 VAL 2 3HG1 VAL 2 6.975 -1.326 -4.503 14 1HG2 VAL 2 1HG2 VAL 2 6.849 -3.870 -3.399 15 2HG2 VAL 2 2HG2 VAL 2 5.418 -4.589 -4.162 16 3HG2 VAL 2 3HG2 VAL 2 6.555 -3.646 -5.131 17 H THR 3 H THR 3 5.206 -4.982 -1.901 18 HA THR 3 HA THR 3 6.187 -4.187 0.735 19 HB THR 3 HB THR 3 5.506 -6.768 -0.660 20 HG1 THR 3 HG1 THR 3 4.178 -6.792 1.192 21 1HG2 THR 3 1HG2 THR 3 6.220 -7.873 1.383 22 2HG2 THR 3 2HG2 THR 3 7.621 -7.265 0.471 23 3HG2 THR 3 3HG2 THR 3 7.052 -6.417 1.930 24 H TRP 4 H TRP 4 8.226 -3.546 1.083 25 HA TRP 4 HA TRP 4 10.202 -4.057 -0.985 26 1HB TRP 4 1HB TRP 4 10.335 -2.452 1.585 27 2HB TRP 4 2HB TRP 4 11.546 -2.552 0.349 28 HD1 TRP 4 HD1 TRP 4 7.760 -1.749 0.102 29 HE1 TRP 4 HE1 TRP 4 7.472 0.369 -1.324 30 HE3 TRP 4 HE3 TRP 4 12.643 -0.754 -0.762 31 HZ2 TRP 4 HZ2 TRP 4 9.122 2.284 -2.626 32 HZ3 TRP 4 HZ3 TRP 4 13.280 1.237 -2.096 33 HH2 TRP 4 HH2 TRP 4 11.561 2.749 -3.015 34 H THR 5 H THR 5 11.947 -5.446 -0.747 35 HA THR 5 HA THR 5 12.041 -6.970 1.810 36 HB THR 5 HB THR 5 11.986 -7.837 -1.050 37 HG1 THR 5 HG1 THR 5 11.079 -8.749 1.478 38 1HG2 THR 5 1HG2 THR 5 13.985 -8.981 -0.515 39 2HG2 THR 5 2HG2 THR 5 13.531 -9.136 1.209 40 3HG2 THR 5 3HG2 THR 5 12.727 -10.127 -0.021 41 H CYS 6 H CYS 6 13.911 -7.159 2.819 42 HA CYS 6 HA CYS 6 16.303 -6.104 1.382 43 1HB CYS 6 1HB CYS 6 15.955 -5.877 4.351 44 2HB CYS 6 2HB CYS 6 17.018 -5.037 3.263 45 H GLY 7 H GLY 7 15.950 -8.628 0.901 46 1HA GLY 7 1HA GLY 7 16.548 -10.822 1.341 47 2HA GLY 7 2HA GLY 7 18.102 -10.047 1.720 48 H GLY 8 H GLY 8 14.874 -10.549 3.267 49 1HA GLY 8 1HA GLY 8 15.804 -12.080 5.428 50 2HA GLY 8 2HA GLY 8 15.846 -10.379 5.938 51 H LEU 9 H LEU 9 13.834 -9.106 5.775 52 HA LEU 9 HA LEU 9 11.404 -10.824 5.839 53 1HB LEU 9 1HB LEU 9 12.247 -8.602 7.727 54 2HB LEU 9 2HB LEU 9 10.589 -9.207 7.623 55 HG LEU 9 HG LEU 9 12.791 -11.215 8.110 56 1HD1 LEU 9 1HD1 LEU 9 12.175 -8.963 9.903 57 2HD1 LEU 9 2HD1 LEU 9 11.962 -10.541 10.672 58 3HD1 LEU 9 3HD1 LEU 9 13.506 -10.120 9.917 59 1HD2 LEU 9 1HD2 LEU 9 11.101 -12.485 9.098 60 2HD2 LEU 9 2HD2 LEU 9 10.043 -11.085 9.379 61 3HD2 LEU 9 3HD2 LEU 9 10.279 -11.720 7.735 62 H LEU 10 H LEU 10 9.419 -9.676 5.353 63 HA LEU 10 HA LEU 10 9.908 -7.783 3.161 64 1HB LEU 10 1HB LEU 10 7.670 -9.597 4.051 65 2HB LEU 10 2HB LEU 10 7.263 -8.161 3.200 66 HG LEU 10 HG LEU 10 8.738 -8.832 1.317 67 1HD1 LEU 10 1HD1 LEU 10 10.218 -10.305 2.914 68 2HD1 LEU 10 2HD1 LEU 10 9.059 -11.565 2.529 69 3HD1 LEU 10 3HD1 LEU 10 10.012 -10.766 1.265 70 1HD2 LEU 10 1HD2 LEU 10 6.865 -9.693 0.491 71 2HD2 LEU 10 2HD2 LEU 10 7.311 -11.247 1.137 72 3HD2 LEU 10 3HD2 LEU 10 6.304 -10.157 2.112 73 H TYR 11 H TYR 11 9.523 -5.689 3.328 74 HA TYR 11 HA TYR 11 8.358 -4.548 5.742 75 1HB TYR 11 1HB TYR 11 10.458 -3.546 3.778 76 2HB TYR 11 2HB TYR 11 9.806 -2.586 5.095 77 HD1 TYR 11 HD1 TYR 11 12.443 -4.665 4.120 78 HD2 TYR 11 HD2 TYR 11 9.950 -3.796 7.502 79 HE1 TYR 11 HE1 TYR 11 14.195 -5.604 5.673 80 HE2 TYR 11 HE2 TYR 11 11.708 -4.709 9.032 81 HH TYR 11 HH TYR 11 13.746 -5.496 9.202 82 H ASN 12 H ASN 12 6.216 -4.438 5.065 83 HA ASN 12 HA ASN 12 5.381 -3.589 2.542 84 1HB ASN 12 1HB ASN 12 4.097 -4.424 4.850 85 2HB ASN 12 2HB ASN 12 3.681 -2.715 4.842 86 1HD2 ASN 12 1HD2 ASN 12 3.491 -2.079 2.245 87 2HD2 ASN 12 2HD2 ASN 12 2.190 -3.016 1.478 88 H GLN 13 H GLN 13 5.605 -1.637 1.530 89 HA GLN 13 HA GLN 13 6.895 0.534 2.507 90 1HB GLN 13 1HB GLN 13 6.134 0.334 0.176 91 2HB GLN 13 2HB GLN 13 4.493 0.490 0.714 92 1HG GLN 13 1HG GLN 13 4.716 2.777 0.328 93 2HG GLN 13 2HG GLN 13 5.681 2.830 1.772 94 1HE2 GLN 13 1HE2 GLN 13 7.896 1.384 0.992 95 2HE2 GLN 13 2HE2 GLN 13 8.728 2.313 -0.187 96 H ASN 14 H ASN 14 3.283 0.249 2.578 97 HA ASN 14 HA ASN 14 2.597 2.492 3.868 98 1HB ASN 14 1HB ASN 14 1.242 0.221 3.308 99 2HB ASN 14 2HB ASN 14 1.469 -0.041 5.036 100 1HD2 ASN 14 1HD2 ASN 14 -1.001 0.097 4.381 101 2HD2 ASN 14 2HD2 ASN 14 -1.710 1.664 4.748 102 H LYS 15 H LYS 15 4.176 -0.347 5.308 103 HA LYS 15 HA LYS 15 4.042 0.629 8.004 104 1HB LYS 15 1HB LYS 15 4.702 -1.854 6.663 105 2HB LYS 15 2HB LYS 15 6.025 -1.424 7.738 106 1HG LYS 15 1HG LYS 15 4.710 -1.571 9.618 107 2HG LYS 15 2HG LYS 15 3.225 -1.105 8.808 108 1HD LYS 15 1HD LYS 15 4.183 -3.641 7.682 109 2HD LYS 15 2HD LYS 15 4.081 -3.742 9.395 110 1HE LYS 15 1HE LYS 15 1.721 -2.444 8.907 111 2HE LYS 15 2HE LYS 15 1.903 -3.365 7.404 112 1HZ LYS 15 1HZ LYS 15 1.670 -5.329 8.528 113 2HZ LYS 15 2HZ LYS 15 2.393 -4.803 9.903 114 3HZ LYS 15 3HZ LYS 15 0.830 -4.390 9.597 115 H ALA 16 H ALA 16 6.584 0.310 5.483 116 HA ALA 16 HA ALA 16 8.701 1.370 6.940 117 1HB ALA 16 1HB ALA 16 9.733 1.654 4.875 118 2HB ALA 16 2HB ALA 16 8.622 0.315 4.564 119 3HB ALA 16 3HB ALA 16 8.190 1.941 4.013 120 H GLU 17 H GLU 17 5.955 2.973 5.371 121 HA GLU 17 HA GLU 17 7.049 5.606 5.963 122 1HB GLU 17 1HB GLU 17 5.146 6.471 4.766 123 2HB GLU 17 2HB GLU 17 5.881 5.162 3.825 124 1HG GLU 17 1HG GLU 17 4.169 3.661 4.685 125 2HG GLU 17 2HG GLU 17 3.363 4.964 5.545 126 H SER 18 H SER 18 4.317 3.527 6.938 127 HA SER 18 HA SER 18 3.088 5.283 8.680 128 1HB SER 18 1HB SER 18 1.915 3.307 7.976 129 2HB SER 18 2HB SER 18 3.140 2.265 8.723 130 HG SER 18 HG SER 18 0.940 3.266 9.787 131 H ASN 19 H ASN 19 5.945 3.273 8.983 132 HA ASN 19 HA ASN 19 6.096 3.263 11.798 133 1HB ASN 19 1HB ASN 19 7.345 1.688 10.161 134 2HB ASN 19 2HB ASN 19 8.445 3.022 9.850 135 1HD2 ASN 19 1HD2 ASN 19 6.946 1.091 12.411 136 2HD2 ASN 19 2HD2 ASN 19 8.335 1.111 13.498 137 H SER 20 H SER 20 7.741 5.103 9.161 138 HA SER 20 HA SER 20 9.050 6.860 11.018 139 1HB SER 20 1HB SER 20 10.353 7.020 9.222 140 2HB SER 20 2HB SER 20 9.105 6.314 8.168 141 HG SER 20 HG SER 20 8.318 8.269 7.735 142 H HIS 21 H HIS 21 5.906 6.626 9.801 143 HA HIS 21 HA HIS 21 5.202 9.310 9.409 144 1HB HIS 21 1HB HIS 21 3.760 6.785 9.882 145 2HB HIS 21 2HB HIS 21 2.878 8.175 10.336 146 HD1 HIS 21 HD1 HIS 21 1.170 7.783 8.388 147 HD2 HIS 21 HD2 HIS 21 5.172 8.382 7.176 148 HE1 HIS 21 HE1 HIS 21 1.115 8.211 5.844 149 HE2 HIS 21 HE2 HIS 21 3.571 8.610 5.130 150 H HIS 22 H HIS 22 4.976 7.230 12.379 151 HA HIS 22 HA HIS 22 4.122 9.436 13.962 152 1HB HIS 22 1HB HIS 22 5.325 7.093 15.305 153 2HB HIS 22 2HB HIS 22 3.790 7.883 15.570 154 HD1 HIS 22 HD1 HIS 22 4.789 4.711 14.935 155 HD2 HIS 22 HD2 HIS 22 2.249 7.299 12.805 156 HE1 HIS 22 HE1 HIS 22 3.313 3.202 13.466 157 HE2 HIS 22 HE2 HIS 22 1.733 4.799 12.187 158 H ALA 23 H ALA 23 7.216 7.722 13.360 159 HA ALA 23 HA ALA 23 8.832 8.702 15.203 160 1HB ALA 23 1HB ALA 23 9.815 8.922 12.382 161 2HB ALA 23 2HB ALA 23 10.558 8.207 13.811 162 3HB ALA 23 3HB ALA 23 9.233 7.373 12.995 163 HA PRO 24 HA PRO 24 8.494 13.097 14.778 164 1HB PRO 24 1HB PRO 24 10.513 13.802 16.590 165 2HB PRO 24 2HB PRO 24 8.831 13.376 17.025 166 1HG PRO 24 1HG PRO 24 11.291 11.817 17.314 167 2HG PRO 24 2HG PRO 24 9.737 11.600 18.180 168 1HD PRO 24 1HD PRO 24 10.761 10.020 16.026 169 2HD PRO 24 2HD PRO 24 9.163 9.928 16.767 170 H LEU 25 H LEU 25 9.207 14.345 13.201 171 HA LEU 25 HA LEU 25 11.473 13.671 11.725 172 1HB LEU 25 1HB LEU 25 9.259 15.246 11.333 173 2HB LEU 25 2HB LEU 25 10.497 16.474 11.536 174 HG LEU 25 HG LEU 25 11.685 15.798 9.632 175 1HD1 LEU 25 1HD1 LEU 25 10.894 13.696 8.323 176 2HD1 LEU 25 2HD1 LEU 25 11.929 13.520 9.736 177 3HD1 LEU 25 3HD1 LEU 25 10.238 13.212 9.931 178 1HD2 LEU 25 1HD2 LEU 25 8.871 16.368 9.470 179 2HD2 LEU 25 2HD2 LEU 25 10.164 16.771 8.408 180 3HD2 LEU 25 3HD2 LEU 25 9.297 15.238 8.186 181 H SER 26 H SER 26 13.263 13.446 13.011 182 HA SER 26 HA SER 26 14.848 15.741 13.308 183 1HB SER 26 1HB SER 26 13.074 15.130 15.560 184 2HB SER 26 2HB SER 26 14.755 14.953 16.043 185 HG SER 26 HG SER 26 13.343 17.220 15.369 186 H ASP 27 H ASP 27 16.905 15.157 14.600 187 HA ASP 27 HA ASP 27 17.477 12.295 14.211 188 1HB ASP 27 1HB ASP 27 18.868 13.287 12.693 189 2HB ASP 27 2HB ASP 27 18.968 14.778 13.581 190 H GLY 28 H GLY 28 18.327 11.213 15.927 191 1HA GLY 28 1HA GLY 28 18.777 10.792 18.140 192 2HA GLY 28 2HA GLY 28 19.999 12.074 17.893 193 H LYS 29 H LYS 29 16.465 11.704 18.430 194 HA LYS 29 HA LYS 29 16.580 13.487 20.708 195 1HB LYS 29 1HB LYS 29 15.673 14.442 18.028 196 2HB LYS 29 2HB LYS 29 14.551 14.765 19.339 197 1HG LYS 29 1HG LYS 29 16.878 15.516 20.572 198 2HG LYS 29 2HG LYS 29 17.316 15.837 18.900 199 1HD LYS 29 1HD LYS 29 15.990 17.655 18.799 200 2HD LYS 29 2HD LYS 29 14.602 16.837 19.505 201 1HE LYS 29 1HE LYS 29 15.078 17.450 21.662 202 2HE LYS 29 2HE LYS 29 16.830 17.409 21.409 203 1HZ LYS 29 1HZ LYS 29 15.101 19.624 21.245 204 2HZ LYS 29 2HZ LYS 29 16.760 19.583 21.147 205 3HZ LYS 29 3HZ LYS 29 15.852 19.410 19.787 206 H THR 30 H THR 30 15.997 10.734 20.283 207 HA THR 30 HA THR 30 13.261 10.721 21.386 208 HB THR 30 HB THR 30 12.957 8.614 19.877 209 HG1 THR 30 HG1 THR 30 14.517 8.398 18.420 210 1HG2 THR 30 1HG2 THR 30 11.923 10.928 19.436 211 2HG2 THR 30 2HG2 THR 30 13.278 11.181 18.320 212 3HG2 THR 30 3HG2 THR 30 12.145 9.857 18.034 213 H GLY 31 H GLY 31 12.788 8.864 22.656 214 1HA GLY 31 1HA GLY 31 14.503 8.238 24.606 215 2HA GLY 31 2HA GLY 31 13.306 7.076 24.007 216 H SER 32 H SER 32 13.927 5.692 22.159 217 HA SER 32 HA SER 32 16.285 4.340 22.690 218 1HB SER 32 1HB SER 32 14.489 3.266 21.459 219 2HB SER 32 2HB SER 32 14.636 4.451 20.138 220 HG SER 32 HG SER 32 16.771 3.642 19.697 221 H SER 33 H SER 33 15.604 6.548 19.933 222 HA SER 33 HA SER 33 17.728 8.124 19.942 223 1HB SER 33 1HB SER 33 19.568 6.791 19.830 224 2HB SER 33 2HB SER 33 18.656 5.401 19.247 225 HG SER 33 HG SER 33 19.687 5.768 17.484 226 H TYR 34 H TYR 34 16.545 5.674 17.590 227 HA TYR 34 HA TYR 34 16.574 7.274 15.415 228 1HB TYR 34 1HB TYR 34 14.638 5.042 16.092 229 2HB TYR 34 2HB TYR 34 15.029 5.575 14.480 230 HD1 TYR 34 HD1 TYR 34 16.214 3.702 17.398 231 HD2 TYR 34 HD2 TYR 34 17.176 4.995 13.443 232 HE1 TYR 34 HE1 TYR 34 18.107 2.052 17.331 233 HE2 TYR 34 HE2 TYR 34 19.112 3.377 13.424 234 HH TYR 34 HH TYR 34 19.531 0.987 15.888 235 HA PRO 35 HA PRO 35 15.380 7.463 13.590 236 1HB PRO 35 1HB PRO 35 14.831 9.725 12.114 237 2HB PRO 35 2HB PRO 35 13.833 8.268 12.120 238 1HG PRO 35 1HG PRO 35 13.307 10.875 13.399 239 2HG PRO 35 2HG PRO 35 12.160 9.576 13.000 240 1HD PRO 35 1HD PRO 35 13.247 10.221 15.590 241 2HD PRO 35 2HD PRO 35 12.206 8.842 15.180 242 H HIS 36 H HIS 36 17.146 8.554 12.314 243 HA HIS 36 HA HIS 36 18.474 10.672 13.810 244 1HB HIS 36 1HB HIS 36 20.564 9.424 13.988 245 2HB HIS 36 2HB HIS 36 19.292 8.760 14.996 246 HD1 HIS 36 HD1 HIS 36 21.969 7.417 13.462 247 HD2 HIS 36 HD2 HIS 36 17.871 6.804 12.771 248 HE1 HIS 36 HE1 HIS 36 21.735 5.093 12.358 249 HE2 HIS 36 HE2 HIS 36 19.203 4.774 12.002 250 H TRP 37 H TRP 37 20.427 11.466 12.654 251 HA TRP 37 HA TRP 37 19.740 11.961 9.931 252 1HB TRP 37 1HB TRP 37 21.082 13.521 11.145 253 2HB TRP 37 2HB TRP 37 22.280 12.331 11.516 254 HD1 TRP 37 HD1 TRP 37 20.852 13.217 8.013 255 HE1 TRP 37 HE1 TRP 37 22.799 13.801 6.434 256 HE3 TRP 37 HE3 TRP 37 24.586 12.874 11.385 257 HZ2 TRP 37 HZ2 TRP 37 25.623 14.109 6.636 258 HZ3 TRP 37 HZ3 TRP 37 26.939 13.314 10.673 259 HH2 TRP 37 HH2 TRP 37 27.408 13.893 8.329 260 H PHE 38 H PHE 38 20.311 10.986 8.067 261 HA PHE 38 HA PHE 38 21.691 8.417 8.247 262 1HB PHE 38 1HB PHE 38 19.336 8.353 7.416 263 2HB PHE 38 2HB PHE 38 19.682 9.617 6.305 264 HD1 PHE 38 HD1 PHE 38 21.395 6.398 7.171 265 HD2 PHE 38 HD2 PHE 38 19.683 8.844 4.120 266 HE1 PHE 38 HE1 PHE 38 22.032 4.729 5.432 267 HE2 PHE 38 HE2 PHE 38 20.265 7.156 2.415 268 HZ PHE 38 HZ PHE 38 21.403 5.072 3.044 269 H THR 39 H THR 39 23.756 9.627 8.230 270 HA THR 39 HA THR 39 24.757 11.395 6.448 271 HB THR 39 HB THR 39 26.883 9.928 6.625 272 HG1 THR 39 HG1 THR 39 26.463 8.187 8.206 273 1HG2 THR 39 1HG2 THR 39 26.149 9.805 9.408 274 2HG2 THR 39 2HG2 THR 39 27.171 11.016 8.607 275 3HG2 THR 39 3HG2 THR 39 25.423 11.231 8.717 276 H ASN 40 H ASN 40 23.819 8.058 5.699 277 HA ASN 40 HA ASN 40 23.660 6.936 3.753 278 1HB ASN 40 1HB ASN 40 22.053 8.792 3.251 279 2HB ASN 40 2HB ASN 40 23.306 9.754 2.624 280 1HD2 ASN 40 1HD2 ASN 40 22.095 9.835 0.688 281 2HD2 ASN 40 2HD2 ASN 40 22.204 8.528 -0.485 282 H GLY 41 H GLY 41 26.319 8.202 4.649 283 1HA GLY 41 1HA GLY 41 28.356 7.356 3.600 284 2HA GLY 41 2HA GLY 41 27.743 7.977 2.066 285 H TYR 42 H TYR 42 26.666 10.478 2.967 286 HA TYR 42 HA TYR 42 28.815 12.164 2.682 287 1HB TYR 42 1HB TYR 42 26.194 12.590 4.129 288 2HB TYR 42 2HB TYR 42 27.198 13.873 3.517 289 HD1 TYR 42 HD1 TYR 42 27.799 13.466 0.934 290 HD2 TYR 42 HD2 TYR 42 24.295 12.065 2.808 291 HE1 TYR 42 HE1 TYR 42 26.644 13.330 -1.348 292 HE2 TYR 42 HE2 TYR 42 23.114 11.984 0.617 293 HH TYR 42 HH TYR 42 24.712 12.136 -2.332 294 H ASP 43 H ASP 43 30.071 13.435 4.083 295 HA ASP 43 HA ASP 43 30.482 12.206 6.700 296 1HB ASP 43 1HB ASP 43 31.971 13.929 4.837 297 2HB ASP 43 2HB ASP 43 31.982 14.625 6.441 298 H GLY 44 H GLY 44 29.219 15.224 5.270 299 1HA GLY 44 1HA GLY 44 27.718 15.841 7.651 300 2HA GLY 44 2HA GLY 44 29.069 16.944 7.370 301 H ASP 45 H ASP 45 28.941 18.494 5.701 302 HA ASP 45 HA ASP 45 26.295 18.847 4.607 303 1HB ASP 45 1HB ASP 45 28.365 20.723 3.702 304 2HB ASP 45 2HB ASP 45 26.870 21.009 4.569 305 H GLY 46 H GLY 46 26.451 19.837 2.231 306 1HA GLY 46 1HA GLY 46 26.541 19.113 0.036 307 2HA GLY 46 2HA GLY 46 28.268 19.314 0.304 308 H LYS 47 H LYS 47 28.672 17.619 -1.214 309 HA LYS 47 HA LYS 47 27.645 15.003 -0.788 310 1HB LYS 47 1HB LYS 47 29.160 14.304 -2.534 311 2HB LYS 47 2HB LYS 47 28.387 15.816 -3.001 312 1HG LYS 47 1HG LYS 47 30.326 17.050 -2.839 313 2HG LYS 47 2HG LYS 47 30.986 16.114 -1.507 314 1HD LYS 47 1HD LYS 47 31.778 14.379 -2.885 315 2HD LYS 47 2HD LYS 47 30.736 14.828 -4.235 316 1HE LYS 47 1HE LYS 47 32.391 16.060 -5.109 317 2HE LYS 47 2HE LYS 47 32.280 17.153 -3.721 318 1HZ LYS 47 1HZ LYS 47 34.506 16.067 -4.134 319 2HZ LYS 47 2HZ LYS 47 33.919 15.947 -2.583 320 3HZ LYS 47 3HZ LYS 47 33.831 14.653 -3.588 321 H LEU 48 H LEU 48 29.751 13.276 -0.868 322 HA LEU 48 HA LEU 48 30.691 13.485 1.884 323 1HB LEU 48 1HB LEU 48 31.572 11.104 0.529 324 2HB LEU 48 2HB LEU 48 30.528 11.294 1.909 325 HG LEU 48 HG LEU 48 28.692 11.772 0.080 326 1HD1 LEU 48 1HD1 LEU 48 30.190 9.952 -1.680 327 2HD1 LEU 48 2HD1 LEU 48 29.083 11.282 -2.069 328 3HD1 LEU 48 3HD1 LEU 48 30.775 11.615 -1.644 329 1HD2 LEU 48 1HD2 LEU 48 27.962 9.958 0.932 330 2HD2 LEU 48 2HD2 LEU 48 28.836 9.039 -0.233 331 3HD2 LEU 48 3HD2 LEU 48 29.602 9.415 1.298 332 HA PRO 49 HA PRO 49 34.831 14.375 0.920 333 1HB PRO 49 1HB PRO 49 36.338 12.526 2.402 334 2HB PRO 49 2HB PRO 49 35.539 13.970 3.066 335 1HG PRO 49 1HG PRO 49 34.762 11.108 3.298 336 2HG PRO 49 2HG PRO 49 34.317 12.503 4.299 337 1HD PRO 49 1HD PRO 49 32.756 11.224 2.302 338 2HD PRO 49 2HD PRO 49 32.306 12.663 3.208 339 H LYS 50 H LYS 50 37.156 13.107 0.514 340 HA LYS 50 HA LYS 50 36.718 11.931 -2.077 341 1HB LYS 50 1HB LYS 50 38.562 13.292 -2.036 342 2HB LYS 50 2HB LYS 50 39.104 12.728 -0.454 343 1HG LYS 50 1HG LYS 50 39.907 10.641 -1.363 344 2HG LYS 50 2HG LYS 50 39.063 10.889 -2.888 345 1HD LYS 50 1HD LYS 50 40.814 12.066 -3.710 346 2HD LYS 50 2HD LYS 50 40.891 13.091 -2.271 347 1HE LYS 50 1HE LYS 50 41.864 10.690 -1.277 348 2HE LYS 50 2HE LYS 50 42.444 10.629 -2.947 349 1HZ LYS 50 1HZ LYS 50 42.803 13.200 -1.738 350 2HZ LYS 50 2HZ LYS 50 43.588 12.017 -0.903 351 3HZ LYS 50 3HZ LYS 50 43.907 12.249 -2.508 352 H GLY 51 H GLY 51 35.562 10.054 -1.805 353 1HA GLY 51 1HA GLY 51 36.189 7.643 -1.959 354 2HA GLY 51 2HA GLY 51 37.032 7.840 -0.413 355 H ARG 52 H ARG 52 33.915 7.515 -2.000 356 HA ARG 52 HA ARG 52 32.739 6.342 0.221 357 1HB ARG 52 1HB ARG 52 32.616 9.282 0.205 358 2HB ARG 52 2HB ARG 52 31.036 8.567 0.108 359 1HG ARG 52 1HG ARG 52 32.998 7.560 2.172 360 2HG ARG 52 2HG ARG 52 32.075 9.011 2.489 361 1HD ARG 52 1HD ARG 52 30.077 7.775 2.489 362 2HD ARG 52 2HD ARG 52 30.671 6.488 1.555 363 HE ARG 52 HE ARG 52 30.997 6.887 4.449 364 1HH1 ARG 52 2HH2 ARG 52 32.083 5.148 1.645 365 2HH1 ARG 52 1HH2 ARG 52 32.765 3.825 2.512 366 1HH2 ARG 52 2HH1 ARG 52 31.883 5.151 5.617 367 2HH2 ARG 52 1HH1 ARG 52 32.650 3.836 4.795 368 H THR 53 H THR 53 30.517 5.682 -0.201 369 HA THR 53 HA THR 53 29.527 6.304 -2.889 370 HB THR 53 HB THR 53 30.361 3.614 -1.907 371 HG1 THR 53 HG1 THR 53 31.765 4.889 -3.207 372 1HG2 THR 53 1HG2 THR 53 28.093 3.232 -2.762 373 2HG2 THR 53 2HG2 THR 53 28.406 4.321 -4.135 374 3HG2 THR 53 3HG2 THR 53 29.258 2.765 -4.011 375 HA PRO 54 HA PRO 54 26.091 6.464 -0.028 376 1HB PRO 54 1HB PRO 54 24.582 8.277 -1.553 377 2HB PRO 54 2HB PRO 54 25.800 8.765 -0.371 378 1HG PRO 54 1HG PRO 54 25.991 8.860 -3.283 379 2HG PRO 54 2HG PRO 54 26.947 9.729 -2.040 380 1HD PRO 54 1HD PRO 54 27.733 7.424 -3.566 381 2HD PRO 54 2HD PRO 54 28.636 8.212 -2.267 382 H ILE 55 H ILE 55 23.586 6.367 -0.517 383 HA ILE 55 HA ILE 55 23.321 4.068 -2.353 384 HB ILE 55 HB ILE 55 21.411 5.013 -0.190 385 1HG1 ILE 55 1HG1 ILE 55 23.801 3.129 -0.067 386 2HG1 ILE 55 2HG1 ILE 55 23.394 4.475 0.988 387 1HG2 ILE 55 1HG2 ILE 55 20.393 2.869 -0.474 388 2HG2 ILE 55 2HG2 ILE 55 20.533 3.562 -2.060 389 3HG2 ILE 55 3HG2 ILE 55 21.674 2.290 -1.537 390 1HD1 ILE 55 1HD1 ILE 55 21.204 3.025 1.466 391 2HD1 ILE 55 2HD1 ILE 55 22.280 1.723 0.965 392 3HD1 ILE 55 3HD1 ILE 55 22.699 2.746 2.346 393 H LYS 56 H LYS 56 21.944 4.082 -4.050 394 HA LYS 56 HA LYS 56 20.897 6.744 -4.811 395 1HB LYS 56 1HB LYS 56 22.329 5.706 -6.440 396 2HB LYS 56 2HB LYS 56 21.424 4.193 -6.400 397 1HG LYS 56 1HG LYS 56 19.942 6.758 -7.073 398 2HG LYS 56 2HG LYS 56 20.995 6.082 -8.291 399 1HD LYS 56 1HD LYS 56 19.326 3.981 -7.042 400 2HD LYS 56 2HD LYS 56 18.335 5.265 -7.711 401 1HE LYS 56 1HE LYS 56 18.813 4.716 -9.856 402 2HE LYS 56 2HE LYS 56 20.541 4.531 -9.520 403 1HZ LYS 56 1HZ LYS 56 18.438 2.523 -8.970 404 2HZ LYS 56 2HZ LYS 56 19.634 2.417 -10.110 405 3HZ LYS 56 3HZ LYS 56 20.009 2.367 -8.502 406 H PHE 57 H PHE 57 18.760 7.005 -5.524 407 HA PHE 57 HA PHE 57 16.843 4.874 -4.765 408 1HB PHE 57 1HB PHE 57 16.505 7.825 -4.123 409 2HB PHE 57 2HB PHE 57 15.564 6.466 -3.515 410 HD1 PHE 57 HD1 PHE 57 18.784 8.318 -3.289 411 HD2 PHE 57 HD2 PHE 57 16.356 5.226 -1.622 412 HE1 PHE 57 HE1 PHE 57 20.242 8.240 -1.275 413 HE2 PHE 57 HE2 PHE 57 17.862 5.187 0.430 414 HZ PHE 57 HZ PHE 57 19.810 6.617 0.520 415 H GLY 58 H GLY 58 17.232 8.131 -6.249 416 1HA GLY 58 1HA GLY 58 16.675 8.215 -8.679 417 2HA GLY 58 2HA GLY 58 15.177 7.362 -8.268 418 H LYS 59 H LYS 59 15.750 9.285 -5.635 419 HA LYS 59 HA LYS 59 13.913 11.349 -6.663 420 1HB LYS 59 1HB LYS 59 14.705 10.643 -3.838 421 2HB LYS 59 2HB LYS 59 13.486 11.770 -4.282 422 1HG LYS 59 1HG LYS 59 13.182 9.013 -5.405 423 2HG LYS 59 2HG LYS 59 12.841 9.227 -3.713 424 1HD LYS 59 1HD LYS 59 10.916 10.328 -4.074 425 2HD LYS 59 2HD LYS 59 11.611 11.359 -5.318 426 1HE LYS 59 1HE LYS 59 11.448 8.612 -6.301 427 2HE LYS 59 2HE LYS 59 9.872 9.119 -5.675 428 1HZ LYS 59 1HZ LYS 59 10.174 9.734 -8.007 429 2HZ LYS 59 2HZ LYS 59 10.018 11.086 -7.066 430 3HZ LYS 59 3HZ LYS 59 11.504 10.647 -7.628 431 H SER 60 H SER 60 14.385 13.455 -6.754 432 HA SER 60 HA SER 60 17.204 14.088 -6.785 433 1HB SER 60 1HB SER 60 15.939 15.127 -8.486 434 2HB SER 60 2HB SER 60 14.663 15.629 -7.372 435 HG SER 60 HG SER 60 17.210 16.624 -6.868 436 H ASP 61 H ASP 61 14.897 13.891 -4.339 437 HA ASP 61 HA ASP 61 15.828 16.149 -2.814 438 1HB ASP 61 1HB ASP 61 14.148 14.027 -1.546 439 2HB ASP 61 2HB ASP 61 14.028 15.769 -1.447 440 H CYS 62 H CYS 62 15.779 12.533 -2.638 441 HA CYS 62 HA CYS 62 17.451 12.498 -0.322 442 1HB CYS 62 1HB CYS 62 17.193 10.111 -2.112 443 2HB CYS 62 2HB CYS 62 17.219 10.182 -0.370 444 H ASP 63 H ASP 63 17.858 12.227 -3.863 445 HA ASP 63 HA ASP 63 20.547 11.374 -3.881 446 1HB ASP 63 1HB ASP 63 19.254 11.318 -5.922 447 2HB ASP 63 2HB ASP 63 18.885 13.058 -5.795 448 H ARG 64 H ARG 64 18.977 14.594 -3.662 449 HA ARG 64 HA ARG 64 21.187 16.155 -4.076 450 1HB ARG 64 1HB ARG 64 19.723 17.819 -3.566 451 2HB ARG 64 2HB ARG 64 18.548 16.585 -3.224 452 1HG ARG 64 1HG ARG 64 19.386 16.448 -0.847 453 2HG ARG 64 2HG ARG 64 20.287 17.917 -1.232 454 1HD ARG 64 1HD ARG 64 17.323 17.643 -1.530 455 2HD ARG 64 2HD ARG 64 18.125 18.258 -0.112 456 HE ARG 64 HE ARG 64 19.125 19.657 -2.393 457 1HH1 ARG 64 2HH2 ARG 64 16.137 19.371 -0.632 458 2HH1 ARG 64 1HH2 ARG 64 15.578 20.957 -1.023 459 1HH2 ARG 64 2HH1 ARG 64 18.391 21.748 -2.946 460 2HH2 ARG 64 1HH1 ARG 64 16.883 22.308 -2.355 461 HA PRO 65 HA PRO 65 23.661 15.646 -0.555 462 1HB PRO 65 1HB PRO 65 24.762 18.187 -0.221 463 2HB PRO 65 2HB PRO 65 25.317 16.953 -1.392 464 1HG PRO 65 1HG PRO 65 23.774 19.446 -1.880 465 2HG PRO 65 2HG PRO 65 24.709 18.449 -3.035 466 1HD PRO 65 1HD PRO 65 21.865 18.511 -2.687 467 2HD PRO 65 2HD PRO 65 22.793 17.440 -3.750 468 HA PRO 66 HA PRO 66 21.338 16.948 2.926 469 1HB PRO 66 1HB PRO 66 23.066 16.106 4.960 470 2HB PRO 66 2HB PRO 66 21.956 15.037 4.053 471 1HG PRO 66 1HG PRO 66 24.894 15.244 3.822 472 2HG PRO 66 2HG PRO 66 23.758 13.967 3.359 473 1HD PRO 66 1HD PRO 66 24.975 15.907 1.655 474 2HD PRO 66 2HD PRO 66 23.829 14.687 1.184 475 H LYS 67 H LYS 67 21.577 18.203 5.030 476 HA LYS 67 HA LYS 67 23.705 20.250 4.813 477 1HB LYS 67 1HB LYS 67 21.787 21.150 3.591 478 2HB LYS 67 2HB LYS 67 20.737 20.878 4.962 479 1HG LYS 67 1HG LYS 67 21.329 22.901 5.784 480 2HG LYS 67 2HG LYS 67 23.004 22.363 5.925 481 1HD LYS 67 1HD LYS 67 23.453 22.969 3.589 482 2HD LYS 67 2HD LYS 67 21.783 23.534 3.402 483 1HE LYS 67 1HE LYS 67 22.242 25.525 4.362 484 2HE LYS 67 2HE LYS 67 22.956 24.741 5.783 485 1HZ LYS 67 1HZ LYS 67 25.032 24.538 4.609 486 2HZ LYS 67 2HZ LYS 67 24.392 25.156 3.220 487 3HZ LYS 67 3HZ LYS 67 24.563 26.112 4.553 488 H HIS 68 H HIS 68 24.192 18.402 6.507 489 HA HIS 68 HA HIS 68 22.823 19.007 9.068 490 1HB HIS 68 1HB HIS 68 23.194 16.645 8.405 491 2HB HIS 68 2HB HIS 68 24.939 16.926 8.346 492 HD1 HIS 68 HD1 HIS 68 25.949 17.882 10.812 493 HD2 HIS 68 HD2 HIS 68 22.340 15.697 10.811 494 HE1 HIS 68 HE1 HIS 68 25.595 17.033 13.201 495 HE2 HIS 68 HE2 HIS 68 23.341 15.715 13.173 496 H SER 69 H SER 69 24.154 19.423 10.955 497 HA SER 69 HA SER 69 26.839 20.199 10.871 498 1HB SER 69 1HB SER 69 25.071 22.174 9.753 499 2HB SER 69 2HB SER 69 25.690 22.801 11.275 500 HG SER 69 HG SER 69 27.778 22.593 10.486 501 H LYS 70 H LYS 70 23.575 20.791 12.208 502 HA LYS 70 HA LYS 70 24.689 21.337 14.851 503 1HB LYS 70 1HB LYS 70 22.502 22.186 13.550 504 2HB LYS 70 2HB LYS 70 21.764 20.930 14.534 505 1HG LYS 70 1HG LYS 70 21.965 22.146 16.439 506 2HG LYS 70 2HG LYS 70 23.642 22.544 16.126 507 1HD LYS 70 1HD LYS 70 23.132 24.634 15.536 508 2HD LYS 70 2HD LYS 70 22.092 24.104 14.268 509 1HE LYS 70 1HE LYS 70 20.172 23.858 15.789 510 2HE LYS 70 2HE LYS 70 21.209 24.236 17.175 511 1HZ LYS 70 1HZ LYS 70 20.768 26.080 14.904 512 2HZ LYS 70 2HZ LYS 70 19.926 26.149 16.322 513 3HZ LYS 70 3HZ LYS 70 21.560 26.419 16.319 514 H ASP 71 H ASP 71 22.992 20.137 16.587 515 HA ASP 71 HA ASP 71 23.996 17.411 16.443 516 1HB ASP 71 1HB ASP 71 23.535 19.221 18.521 517 2HB ASP 71 2HB ASP 71 22.166 18.178 18.665 518 H GLY 72 H GLY 72 22.159 17.917 14.386 519 1HA GLY 72 1HA GLY 72 20.478 15.890 14.308 520 2HA GLY 72 2HA GLY 72 19.503 16.998 15.243 521 H ASN 73 H ASN 73 18.978 19.090 14.306 522 HA ASN 73 HA ASN 73 19.362 19.302 11.409 523 1HB ASN 73 1HB ASN 73 17.128 18.123 11.990 524 2HB ASN 73 2HB ASN 73 16.594 19.624 12.636 525 1HD2 ASN 73 1HD2 ASN 73 17.026 21.571 11.167 526 2HD2 ASN 73 2HD2 ASN 73 16.645 21.311 9.466 527 H GLY 74 H GLY 74 20.788 20.991 12.289 528 1HA GLY 74 1HA GLY 74 20.272 23.080 13.935 529 2HA GLY 74 2HA GLY 74 21.153 23.292 12.403 530 H LYS 75 H LYS 75 20.122 24.112 10.624 531 HA LYS 75 HA LYS 75 17.704 25.698 11.314 532 1HB LYS 75 1HB LYS 75 19.746 25.773 9.046 533 2HB LYS 75 2HB LYS 75 18.202 26.638 8.937 534 1HG LYS 75 1HG LYS 75 18.950 27.468 11.413 535 2HG LYS 75 2HG LYS 75 20.549 27.184 10.709 536 1HD LYS 75 1HD LYS 75 19.989 28.663 8.805 537 2HD LYS 75 2HD LYS 75 18.344 28.870 9.412 538 1HE LYS 75 1HE LYS 75 20.465 29.494 11.415 539 2HE LYS 75 2HE LYS 75 20.500 30.534 9.982 540 1HZ LYS 75 1HZ LYS 75 18.370 30.240 11.972 541 2HZ LYS 75 2HZ LYS 75 18.969 31.613 11.273 542 3HZ LYS 75 3HZ LYS 75 17.947 30.636 10.432 543 H THR 76 H THR 76 17.965 24.934 8.014 544 HA THR 76 HA THR 76 15.596 23.189 8.263 545 HB THR 76 HB THR 76 15.845 25.517 6.897 546 HG1 THR 76 HG1 THR 76 13.992 24.632 5.819 547 1HG2 THR 76 1HG2 THR 76 17.484 24.101 5.282 548 2HG2 THR 76 2HG2 THR 76 15.917 23.566 4.644 549 3HG2 THR 76 3HG2 THR 76 16.341 25.281 4.619 550 H ASP 77 H ASP 77 18.468 22.344 8.614 551 HA ASP 77 HA ASP 77 19.712 21.187 6.666 552 1HB ASP 77 1HB ASP 77 18.909 19.605 9.112 553 2HB ASP 77 2HB ASP 77 20.260 19.294 8.129 554 H HIS 78 H HIS 78 18.945 20.201 4.838 555 HA HIS 78 HA HIS 78 16.479 18.654 5.004 556 1HB HIS 78 1HB HIS 78 16.712 18.485 2.543 557 2HB HIS 78 2HB HIS 78 16.634 20.127 3.158 558 HD1 HIS 78 HD1 HIS 78 17.763 20.436 0.619 559 HD2 HIS 78 HD2 HIS 78 20.125 18.895 3.702 560 HE1 HIS 78 HE1 HIS 78 20.235 20.736 -0.121 561 HE2 HIS 78 HE2 HIS 78 21.648 19.819 1.809 562 H TYR 79 H TYR 79 19.064 17.794 6.251 563 HA TYR 79 HA TYR 79 20.253 15.676 4.942 564 1HB TYR 79 1HB TYR 79 21.045 15.181 7.118 565 2HB TYR 79 2HB TYR 79 20.931 16.892 7.114 566 HD1 TYR 79 HD1 TYR 79 20.925 15.041 9.581 567 HD2 TYR 79 HD2 TYR 79 17.680 16.840 7.479 568 HE1 TYR 79 HE1 TYR 79 19.476 14.967 11.554 569 HE2 TYR 79 HE2 TYR 79 16.315 16.685 9.358 570 HH TYR 79 HH TYR 79 16.130 16.146 11.446 571 H LEU 80 H LEU 80 19.944 13.429 4.973 572 HA LEU 80 HA LEU 80 17.131 12.700 5.161 573 1HB LEU 80 1HB LEU 80 19.675 11.519 4.125 574 2HB LEU 80 2HB LEU 80 18.457 10.395 4.673 575 HG LEU 80 HG LEU 80 17.146 12.360 3.015 576 1HD1 LEU 80 1HD1 LEU 80 18.507 11.255 0.932 577 2HD1 LEU 80 2HD1 LEU 80 18.774 12.877 1.578 578 3HD1 LEU 80 3HD1 LEU 80 19.803 11.518 2.039 579 1HD2 LEU 80 1HD2 LEU 80 17.576 9.608 2.043 580 2HD2 LEU 80 2HD2 LEU 80 16.732 9.837 3.604 581 3HD2 LEU 80 3HD2 LEU 80 16.092 10.518 2.162 582 H LEU 81 H LEU 81 16.362 10.875 6.418 583 HA LEU 81 HA LEU 81 17.996 10.289 8.788 584 1HB LEU 81 1HB LEU 81 15.120 11.231 8.922 585 2HB LEU 81 2HB LEU 81 16.080 10.706 10.269 586 HG LEU 81 HG LEU 81 17.353 12.948 8.788 587 1HD1 LEU 81 1HD1 LEU 81 14.564 13.281 9.818 588 2HD1 LEU 81 2HD1 LEU 81 15.689 14.590 9.710 589 3HD1 LEU 81 3HD1 LEU 81 15.285 13.723 8.242 590 1HD2 LEU 81 1HD2 LEU 81 16.731 13.532 11.453 591 2HD2 LEU 81 2HD2 LEU 81 17.244 11.922 11.458 592 3HD2 LEU 81 3HD2 LEU 81 18.262 13.102 10.709 593 H GLU 82 H GLU 82 17.876 8.232 9.400 594 HA GLU 82 HA GLU 82 16.058 6.519 7.878 595 1HB GLU 82 1HB GLU 82 17.568 4.716 8.243 596 2HB GLU 82 2HB GLU 82 18.532 6.099 7.726 597 1HG GLU 82 1HG GLU 82 18.153 5.613 10.635 598 2HG GLU 82 2HG GLU 82 19.208 4.629 9.814 599 H PHE 83 H PHE 83 14.759 4.950 8.894 600 HA PHE 83 HA PHE 83 14.638 5.125 11.820 601 1HB PHE 83 1HB PHE 83 12.920 6.524 10.425 602 2HB PHE 83 2HB PHE 83 12.204 4.958 10.124 603 HD1 PHE 83 HD1 PHE 83 10.299 4.616 11.273 604 HD2 PHE 83 HD2 PHE 83 13.575 6.514 13.168 605 HE1 PHE 83 HE1 PHE 83 9.038 4.652 13.472 606 HE2 PHE 83 HE2 PHE 83 12.291 6.633 15.326 607 HZ PHE 83 HZ PHE 83 10.031 5.747 15.394 608 HA PRO 84 HA PRO 84 14.483 0.736 11.303 609 1HB PRO 84 1HB PRO 84 14.096 0.037 13.967 610 2HB PRO 84 2HB PRO 84 15.675 0.425 13.243 611 1HG PRO 84 1HG PRO 84 13.997 2.071 15.054 612 2HG PRO 84 2HG PRO 84 15.733 2.174 14.691 613 1HD PRO 84 1HD PRO 84 13.620 3.835 13.684 614 2HD PRO 84 2HD PRO 84 15.312 3.865 13.211 615 H THR 85 H THR 85 12.697 0.528 10.041 616 HA THR 85 HA THR 85 10.119 0.428 11.409 617 HB THR 85 HB THR 85 10.160 1.730 9.371 618 HG1 THR 85 HG1 THR 85 9.154 -0.852 8.813 619 1HG2 THR 85 1HG2 THR 85 11.882 -0.419 8.376 620 2HG2 THR 85 2HG2 THR 85 10.520 -0.136 7.301 621 3HG2 THR 85 3HG2 THR 85 11.628 1.186 7.722 622 H PHE 86 H PHE 86 9.329 -1.346 12.204 623 HA PHE 86 HA PHE 86 10.554 -3.852 11.514 624 1HB PHE 86 1HB PHE 86 8.334 -2.964 13.404 625 2HB PHE 86 2HB PHE 86 8.810 -4.647 13.254 626 HD1 PHE 86 HD1 PHE 86 10.378 -1.264 13.884 627 HD2 PHE 86 HD2 PHE 86 10.436 -5.476 14.688 628 HE1 PHE 86 HE1 PHE 86 12.219 -0.938 15.531 629 HE2 PHE 86 HE2 PHE 86 12.215 -5.111 16.429 630 HZ PHE 86 HZ PHE 86 13.091 -2.836 16.829 631 HA PRO 87 HA PRO 87 7.442 -5.090 8.666 632 1HB PRO 87 1HB PRO 87 7.660 -7.874 8.896 633 2HB PRO 87 2HB PRO 87 8.779 -6.823 7.995 634 1HG PRO 87 1HG PRO 87 9.252 -8.188 10.547 635 2HG PRO 87 2HG PRO 87 10.423 -7.541 9.358 636 1HD PRO 87 1HD PRO 87 9.610 -6.342 11.835 637 2HD PRO 87 2HD PRO 87 10.683 -5.667 10.608 638 H ASP 88 H ASP 88 7.405 -6.976 11.737 639 HA ASP 88 HA ASP 88 4.912 -7.974 11.777 640 1HB ASP 88 1HB ASP 88 6.180 -8.286 13.738 641 2HB ASP 88 2HB ASP 88 6.515 -6.558 13.903 642 H GLY 89 H GLY 89 5.786 -4.565 11.896 643 1HA GLY 89 1HA GLY 89 4.409 -2.820 11.227 644 2HA GLY 89 2HA GLY 89 2.974 -3.808 11.566 645 H HIS 90 H HIS 90 5.458 -3.912 13.948 646 HA HIS 90 HA HIS 90 3.756 -2.394 15.750 647 1HB HIS 90 1HB HIS 90 4.876 -3.422 17.511 648 2HB HIS 90 2HB HIS 90 4.792 -4.636 16.322 649 HD1 HIS 90 HD1 HIS 90 6.855 -6.010 16.218 650 HD2 HIS 90 HD2 HIS 90 7.584 -1.940 17.094 651 HE1 HIS 90 HE1 HIS 90 9.411 -5.723 16.512 652 HE2 HIS 90 HE2 HIS 90 9.832 -3.202 16.908 653 H ASP 91 H ASP 91 4.155 -0.371 16.448 654 HA ASP 91 HA ASP 91 6.215 1.157 15.181 655 1HB ASP 91 1HB ASP 91 4.195 2.297 15.710 656 2HB ASP 91 2HB ASP 91 4.174 1.674 17.371 657 H TYR 92 H TYR 92 8.278 0.524 15.742 658 HA TYR 92 HA TYR 92 9.313 -0.538 17.968 659 1HB TYR 92 1HB TYR 92 10.538 0.193 15.936 660 2HB TYR 92 2HB TYR 92 10.334 1.832 16.347 661 HD1 TYR 92 HD1 TYR 92 11.431 -1.085 18.458 662 HD2 TYR 92 HD2 TYR 92 12.429 2.746 16.789 663 HE1 TYR 92 HE1 TYR 92 13.615 -1.075 19.710 664 HE2 TYR 92 HE2 TYR 92 14.570 2.732 18.110 665 HH TYR 92 HH TYR 92 16.057 1.182 19.161 666 H LYS 93 H LYS 93 9.971 0.038 20.030 667 HA LYS 93 HA LYS 93 8.608 2.336 21.145 668 1HB LYS 93 1HB LYS 93 9.646 1.485 23.281 669 2HB LYS 93 2HB LYS 93 8.510 0.393 22.483 670 1HG LYS 93 1HG LYS 93 10.164 -1.103 21.796 671 2HG LYS 93 2HG LYS 93 11.403 0.144 21.748 672 1HD LYS 93 1HD LYS 93 12.101 -0.752 23.726 673 2HD LYS 93 2HD LYS 93 10.894 0.202 24.438 674 1HE LYS 93 1HE LYS 93 9.913 -2.418 23.341 675 2HE LYS 93 2HE LYS 93 11.086 -2.579 24.640 676 1HZ LYS 93 1HZ LYS 93 8.934 -0.643 25.002 677 2HZ LYS 93 2HZ LYS 93 8.544 -2.245 25.125 678 3HZ LYS 93 3HZ LYS 93 9.694 -1.589 26.122 679 H PHE 94 H PHE 94 9.936 3.658 19.520 680 HA PHE 94 HA PHE 94 12.658 4.212 20.291 681 1HB PHE 94 1HB PHE 94 12.340 6.032 18.518 682 2HB PHE 94 2HB PHE 94 12.107 4.402 17.964 683 HD1 PHE 94 HD1 PHE 94 9.978 3.653 17.185 684 HD2 PHE 94 HD2 PHE 94 10.359 7.517 18.923 685 HE1 PHE 94 HE1 PHE 94 7.740 4.188 16.390 686 HE2 PHE 94 HE2 PHE 94 8.058 8.099 18.108 687 HZ PHE 94 HZ PHE 94 6.730 6.416 16.855 688 H ASP 95 H ASP 95 9.913 4.841 21.868 689 HA ASP 95 HA ASP 95 10.574 7.646 22.515 690 1HB ASP 95 1HB ASP 95 8.180 6.739 21.858 691 2HB ASP 95 2HB ASP 95 8.163 6.094 23.503 692 H SER 96 H SER 96 10.244 4.329 23.775 693 HA SER 96 HA SER 96 10.952 5.250 26.482 694 1HB SER 96 1HB SER 96 9.845 2.655 25.382 695 2HB SER 96 2HB SER 96 10.555 2.749 26.995 696 HG SER 96 HG SER 96 8.986 4.689 27.160 697 H LYS 97 H LYS 97 13.104 5.713 26.340 698 HA LYS 97 HA LYS 97 14.932 3.950 25.004 699 1HB LYS 97 1HB LYS 97 16.553 5.501 25.473 700 2HB LYS 97 2HB LYS 97 15.104 6.484 25.674 701 1HG LYS 97 1HG LYS 97 15.184 5.945 28.138 702 2HG LYS 97 2HG LYS 97 16.819 5.328 27.807 703 1HD LYS 97 1HD LYS 97 16.978 7.773 26.623 704 2HD LYS 97 2HD LYS 97 15.690 8.116 27.784 705 1HE LYS 97 1HE LYS 97 17.776 6.599 29.127 706 2HE LYS 97 2HE LYS 97 18.549 7.917 28.233 707 1HZ LYS 97 1HZ LYS 97 17.454 9.480 29.472 708 2HZ LYS 97 2HZ LYS 97 16.156 8.532 29.807 709 3HZ LYS 97 3HZ LYS 97 17.573 8.304 30.621 710 H LYS 98 H LYS 98 13.773 4.383 28.338 711 HA LYS 98 HA LYS 98 15.343 2.087 29.071 712 1HB LYS 98 1HB LYS 98 15.779 4.413 30.132 713 2HB LYS 98 2HB LYS 98 14.557 3.841 31.258 714 1HG LYS 98 1HG LYS 98 16.233 2.714 32.297 715 2HG LYS 98 2HG LYS 98 16.166 1.560 30.975 716 1HD LYS 98 1HD LYS 98 17.812 4.064 30.538 717 2HD LYS 98 2HD LYS 98 18.430 2.886 31.671 718 1HE LYS 98 1HE LYS 98 17.415 1.626 29.183 719 2HE LYS 98 2HE LYS 98 18.685 2.819 28.868 720 1HZ LYS 98 1HZ LYS 98 20.017 1.670 30.610 721 2HZ LYS 98 2HZ LYS 98 18.870 0.495 30.699 722 3HZ LYS 98 3HZ LYS 98 19.714 0.718 29.302 723 HA PRO 99 HA PRO 99 15.141 0.174 29.269 724 1HB PRO 99 1HB PRO 99 14.064 -2.006 28.133 725 2HB PRO 99 2HB PRO 99 14.477 -1.788 29.859 726 1HG PRO 99 1HG PRO 99 11.806 -1.815 28.555 727 2HG PRO 99 2HG PRO 99 12.231 -2.087 30.270 728 1HD PRO 99 1HD PRO 99 11.130 0.305 29.094 729 2HD PRO 99 2HD PRO 99 11.658 0.079 30.779 730 H LYS 100 H LYS 100 15.855 -0.868 27.086 731 HA LYS 100 HA LYS 100 14.643 0.706 24.889 732 1HB LYS 100 1HB LYS 100 17.296 0.975 25.945 733 2HB LYS 100 2HB LYS 100 17.468 0.090 24.468 734 1HG LYS 100 1HG LYS 100 15.575 2.137 23.801 735 2HG LYS 100 2HG LYS 100 16.705 2.929 24.855 736 1HD LYS 100 1HD LYS 100 18.100 1.267 22.889 737 2HD LYS 100 2HD LYS 100 17.093 2.448 22.214 738 1HE LYS 100 1HE LYS 100 19.457 3.208 22.676 739 2HE LYS 100 2HE LYS 100 18.198 4.279 23.293 740 1HZ LYS 100 1HZ LYS 100 20.101 3.537 24.841 741 2HZ LYS 100 2HZ LYS 100 18.539 3.612 25.418 742 3HZ LYS 100 3HZ LYS 100 19.191 2.151 25.010 743 H GLU 101 H GLU 101 14.052 -0.374 23.138 744 HA GLU 101 HA GLU 101 14.416 -3.290 23.241 745 1HB GLU 101 1HB GLU 101 12.218 -2.651 22.746 746 2HB GLU 101 2HB GLU 101 12.728 -1.453 21.560 747 1HG GLU 101 1HG GLU 101 11.799 -3.327 20.386 748 2HG GLU 101 2HG GLU 101 13.491 -3.347 20.152 749 H ASN 102 H ASN 102 15.275 -4.503 21.489 750 HA ASN 102 HA ASN 102 17.618 -3.534 20.459 751 1HB ASN 102 1HB ASN 102 16.032 -5.991 20.260 752 2HB ASN 102 2HB ASN 102 16.733 -5.587 18.710 753 1HD2 ASN 102 1HD2 ASN 102 18.144 -7.251 18.702 754 2HD2 ASN 102 2HD2 ASN 102 19.551 -7.330 19.768 755 HA PRO 103 HA PRO 103 16.136 -1.306 16.954 756 1HB PRO 103 1HB PRO 103 18.564 -1.104 15.532 757 2HB PRO 103 2HB PRO 103 18.074 -0.088 16.892 758 1HG PRO 103 1HG PRO 103 20.053 -2.299 16.803 759 2HG PRO 103 2HG PRO 103 19.913 -0.952 17.974 760 1HD PRO 103 1HD PRO 103 19.080 -3.682 18.335 761 2HD PRO 103 2HD PRO 103 18.844 -2.315 19.443 762 H GLY 104 H GLY 104 17.135 -1.504 14.322 763 1HA GLY 104 1HA GLY 104 16.693 -4.292 13.579 764 2HA GLY 104 2HA GLY 104 15.556 -3.085 12.959 765 HA PRO 105 HA PRO 105 19.548 -3.214 10.440 766 1HB PRO 105 1HB PRO 105 18.879 -5.092 8.468 767 2HB PRO 105 2HB PRO 105 19.857 -5.435 9.921 768 1HG PRO 105 1HG PRO 105 17.042 -6.198 9.337 769 2HG PRO 105 2HG PRO 105 18.183 -6.902 10.521 770 1HD PRO 105 1HD PRO 105 16.019 -5.079 11.043 771 2HD PRO 105 2HD PRO 105 17.225 -5.691 12.191 772 H ALA 106 H ALA 106 16.434 -4.047 8.802 773 HA ALA 106 HA ALA 106 16.871 -2.129 6.767 774 1HB ALA 106 1HB ALA 106 15.351 -4.240 7.075 775 2HB ALA 106 2HB ALA 106 14.112 -2.956 7.351 776 3HB ALA 106 3HB ALA 106 15.054 -3.086 5.866 777 H ARG 107 H ARG 107 16.232 -0.039 6.584 778 HA ARG 107 HA ARG 107 14.472 1.054 8.617 779 1HB ARG 107 1HB ARG 107 17.279 2.143 8.062 780 2HB ARG 107 2HB ARG 107 16.056 2.985 8.992 781 1HG ARG 107 1HG ARG 107 16.098 0.559 10.293 782 2HG ARG 107 2HG ARG 107 17.702 0.610 9.728 783 1HD ARG 107 1HD ARG 107 17.107 3.207 10.807 784 2HD ARG 107 2HD ARG 107 16.429 2.044 11.900 785 HE ARG 107 HE ARG 107 18.510 1.573 12.642 786 1HH1 ARG 107 2HH2 ARG 107 18.767 2.535 9.327 787 2HH1 ARG 107 1HH2 ARG 107 20.474 2.404 9.230 788 1HH2 ARG 107 2HH1 ARG 107 20.766 1.386 12.576 789 2HH2 ARG 107 1HH1 ARG 107 21.614 1.736 11.112 790 H VAL 108 H VAL 108 13.391 2.953 7.987 791 HA VAL 108 HA VAL 108 13.307 3.335 5.095 792 HB VAL 108 HB VAL 108 11.215 3.121 6.219 793 1HG1 VAL 108 1HG1 VAL 108 10.575 4.952 7.912 794 2HG1 VAL 108 2HG1 VAL 108 11.586 3.632 8.459 795 3HG1 VAL 108 3HG1 VAL 108 12.270 5.221 8.083 796 1HG2 VAL 108 1HG2 VAL 108 10.165 5.302 5.684 797 2HG2 VAL 108 2HG2 VAL 108 11.753 6.016 5.425 798 3HG2 VAL 108 3HG2 VAL 108 11.287 4.678 4.433 799 H ILE 109 H ILE 109 14.484 4.747 4.046 800 HA ILE 109 HA ILE 109 15.678 6.980 5.601 801 HB ILE 109 HB ILE 109 16.542 5.447 3.164 802 1HG1 ILE 109 1HG1 ILE 109 18.621 5.240 4.475 803 2HG1 ILE 109 2HG1 ILE 109 17.938 6.211 5.757 804 1HG2 ILE 109 1HG2 ILE 109 16.692 7.804 2.641 805 2HG2 ILE 109 2HG2 ILE 109 17.695 8.049 4.101 806 3HG2 ILE 109 3HG2 ILE 109 18.199 7.064 2.698 807 1HD1 ILE 109 1HD1 ILE 109 17.845 3.616 6.005 808 2HD1 ILE 109 2HD1 ILE 109 16.423 4.505 6.367 809 3HD1 ILE 109 3HD1 ILE 109 16.576 3.733 4.775 810 H TYR 110 H TYR 110 14.898 8.945 5.338 811 HA TYR 110 HA TYR 110 13.678 9.663 2.740 812 1HB TYR 110 1HB TYR 110 11.765 10.626 4.012 813 2HB TYR 110 2HB TYR 110 11.888 8.892 4.307 814 HD1 TYR 110 HD1 TYR 110 11.989 8.037 6.495 815 HD2 TYR 110 HD2 TYR 110 12.884 12.157 5.821 816 HE1 TYR 110 HE1 TYR 110 12.072 8.460 8.969 817 HE2 TYR 110 HE2 TYR 110 12.996 12.571 8.242 818 HH TYR 110 HH TYR 110 12.629 9.924 10.551 819 H THR 111 H THR 111 13.341 12.019 2.549 820 HA THR 111 HA THR 111 15.617 13.427 3.759 821 HB THR 111 HB THR 111 15.510 14.787 1.878 822 HG1 THR 111 HG1 THR 111 13.466 15.643 1.995 823 1HG2 THR 111 1HG2 THR 111 13.814 12.709 0.524 824 2HG2 THR 111 2HG2 THR 111 15.342 13.416 0.059 825 3HG2 THR 111 3HG2 THR 111 15.315 12.156 1.197 826 H TYR 112 H TYR 112 15.357 15.652 4.518 827 HA TYR 112 HA TYR 112 12.845 15.891 5.938 828 1HB TYR 112 1HB TYR 112 14.447 15.468 7.524 829 2HB TYR 112 2HB TYR 112 15.663 16.394 6.666 830 HD1 TYR 112 HD1 TYR 112 13.600 16.399 9.480 831 HD2 TYR 112 HD2 TYR 112 15.120 19.025 6.480 832 HE1 TYR 112 HE1 TYR 112 13.148 18.405 10.949 833 HE2 TYR 112 HE2 TYR 112 14.716 20.974 7.895 834 HH TYR 112 HH TYR 112 13.898 21.685 9.813 835 HA PRO 113 HA PRO 113 12.093 17.388 7.306 836 1HB PRO 113 1HB PRO 113 9.796 18.879 7.203 837 2HB PRO 113 2HB PRO 113 11.284 19.355 8.070 838 1HG PRO 113 1HG PRO 113 10.185 20.409 5.517 839 2HG PRO 113 2HG PRO 113 11.365 21.156 6.635 840 1HD PRO 113 1HD PRO 113 11.929 19.840 4.128 841 2HD PRO 113 2HD PRO 113 13.103 20.470 5.295 842 H ASN 114 H ASN 114 10.238 18.236 4.394 843 HA ASN 114 HA ASN 114 8.216 16.466 4.534 844 1HB ASN 114 1HB ASN 114 8.687 17.997 2.581 845 2HB ASN 114 2HB ASN 114 9.961 16.889 2.057 846 1HD2 ASN 114 1HD2 ASN 114 8.421 17.122 0.143 847 2HD2 ASN 114 2HD2 ASN 114 7.187 15.884 -0.008 848 H LYS 115 H LYS 115 8.237 14.355 5.130 849 HA LYS 115 HA LYS 115 10.548 12.730 4.957 850 1HB LYS 115 1HB LYS 115 8.033 12.670 6.206 851 2HB LYS 115 2HB LYS 115 8.063 11.180 5.324 852 1HG LYS 115 1HG LYS 115 9.993 10.393 6.353 853 2HG LYS 115 2HG LYS 115 10.420 12.003 6.971 854 1HD LYS 115 1HD LYS 115 8.089 10.365 7.895 855 2HD LYS 115 2HD LYS 115 9.620 10.615 8.787 856 1HE LYS 115 1HE LYS 115 8.439 12.256 9.792 857 2HE LYS 115 2HE LYS 115 8.908 13.151 8.334 858 1HZ LYS 115 1HZ LYS 115 6.325 12.217 9.138 859 2HZ LYS 115 2HZ LYS 115 6.742 13.427 8.063 860 3HZ LYS 115 3HZ LYS 115 6.702 11.862 7.557 861 H VAL 116 H VAL 116 10.822 13.322 2.598 862 HA VAL 116 HA VAL 116 9.155 12.099 0.648 863 HB VAL 116 HB VAL 116 11.864 13.397 0.607 864 1HG1 VAL 116 1HG1 VAL 116 12.300 12.087 -1.206 865 2HG1 VAL 116 2HG1 VAL 116 10.585 11.746 -1.500 866 3HG1 VAL 116 3HG1 VAL 116 11.319 13.269 -2.033 867 1HG2 VAL 116 1HG2 VAL 116 9.209 14.190 -0.558 868 2HG2 VAL 116 2HG2 VAL 116 10.021 14.893 0.857 869 3HG2 VAL 116 3HG2 VAL 116 10.725 15.102 -0.738 870 H PHE 117 H PHE 117 9.253 10.053 2.072 871 HA PHE 117 HA PHE 117 11.231 8.319 2.454 872 1HB PHE 117 1HB PHE 117 8.903 7.817 2.985 873 2HB PHE 117 2HB PHE 117 8.454 7.909 1.282 874 HD1 PHE 117 HD1 PHE 117 9.293 5.737 3.867 875 HD2 PHE 117 HD2 PHE 117 9.580 6.146 -0.357 876 HE1 PHE 117 HE1 PHE 117 9.715 3.315 3.628 877 HE2 PHE 117 HE2 PHE 117 9.997 3.769 -0.605 878 HZ PHE 117 HZ PHE 117 10.042 2.313 1.389 879 H CYS 118 H CYS 118 12.799 7.376 1.305 880 HA CYS 118 HA CYS 118 12.519 7.435 -1.632 881 1HB CYS 118 1HB CYS 118 14.691 8.010 0.192 882 2HB CYS 118 2HB CYS 118 15.098 6.662 -0.825 883 H GLY 119 H GLY 119 13.185 5.374 1.215 884 1HA GLY 119 1HA GLY 119 11.987 3.079 0.433 885 2HA GLY 119 2HA GLY 119 13.506 2.973 -0.392 886 H ILE 120 H ILE 120 13.917 1.084 0.950 887 HA ILE 120 HA ILE 120 14.759 1.858 3.661 888 HB ILE 120 HB ILE 120 13.485 -0.711 2.692 889 1HG1 ILE 120 1HG1 ILE 120 12.030 -0.148 4.799 890 2HG1 ILE 120 2HG1 ILE 120 12.710 1.457 4.654 891 1HG2 ILE 120 1HG2 ILE 120 14.073 -1.828 4.557 892 2HG2 ILE 120 2HG2 ILE 120 15.538 -0.973 4.345 893 3HG2 ILE 120 3HG2 ILE 120 14.402 -0.397 5.525 894 1HD1 ILE 120 1HD1 ILE 120 11.281 1.929 3.053 895 2HD1 ILE 120 2HD1 ILE 120 11.836 0.630 2.015 896 3HD1 ILE 120 3HD1 ILE 120 10.556 0.305 3.149 897 H ILE 121 H ILE 121 16.752 1.152 4.357 898 HA ILE 121 HA ILE 121 18.436 0.079 2.187 899 HB ILE 121 HB ILE 121 20.273 1.251 3.047 900 1HG1 ILE 121 1HG1 ILE 121 18.644 1.792 5.551 901 2HG1 ILE 121 2HG1 ILE 121 20.004 0.698 5.415 902 1HG2 ILE 121 1HG2 ILE 121 19.348 3.644 3.279 903 2HG2 ILE 121 2HG2 ILE 121 18.951 2.769 1.834 904 3HG2 ILE 121 3HG2 ILE 121 17.757 2.973 3.110 905 1HD1 ILE 121 1HD1 ILE 121 21.171 2.506 6.189 906 2HD1 ILE 121 2HD1 ILE 121 21.225 2.879 4.456 907 3HD1 ILE 121 3HD1 ILE 121 20.010 3.643 5.499 908 H ALA 122 H ALA 122 20.119 -1.442 2.793 909 HA ALA 122 HA ALA 122 20.361 -2.632 5.314 910 1HB ALA 122 1HB ALA 122 17.947 -3.379 3.958 911 2HB ALA 122 2HB ALA 122 19.024 -4.780 3.911 912 3HB ALA 122 3HB ALA 122 18.591 -4.017 5.466 913 H HIS 123 H HIS 123 21.688 -4.593 5.207 914 HA HIS 123 HA HIS 123 23.408 -4.478 2.863 915 1HB HIS 123 1HB HIS 123 24.117 -6.279 5.133 916 2HB HIS 123 2HB HIS 123 25.111 -5.211 4.229 917 HD1 HIS 123 HD1 HIS 123 25.812 -3.046 5.361 918 HD2 HIS 123 HD2 HIS 123 22.389 -4.880 7.075 919 HE1 HIS 123 HE1 HIS 123 25.234 -1.720 7.497 920 HE2 HIS 123 HE2 HIS 123 23.108 -2.797 8.486 921 H THR 124 H THR 124 22.335 -5.550 1.266 922 HA THR 124 HA THR 124 21.495 -8.335 1.801 923 HB THR 124 HB THR 124 20.484 -7.894 -0.601 924 HG1 THR 124 HG1 THR 124 20.916 -5.893 -1.262 925 1HG2 THR 124 1HG2 THR 124 19.381 -6.044 1.542 926 2HG2 THR 124 2HG2 THR 124 18.506 -7.014 0.341 927 3HG2 THR 124 3HG2 THR 124 19.266 -7.803 1.741 928 H LYS 125 H LYS 125 24.142 -8.153 1.950 929 HA LYS 125 HA LYS 125 25.090 -9.152 -0.705 930 1HB LYS 125 1HB LYS 125 26.201 -7.059 0.143 931 2HB LYS 125 2HB LYS 125 26.751 -7.945 1.557 932 1HG LYS 125 1HG LYS 125 28.567 -8.567 0.350 933 2HG LYS 125 2HG LYS 125 27.529 -9.585 -0.625 934 1HD LYS 125 1HD LYS 125 27.073 -7.800 -2.199 935 2HD LYS 125 2HD LYS 125 28.065 -6.670 -1.245 936 1HE LYS 125 1HE LYS 125 30.061 -7.586 -1.920 937 2HE LYS 125 2HE LYS 125 29.409 -9.231 -1.996 938 1HZ LYS 125 1HZ LYS 125 29.675 -7.352 -4.084 939 2HZ LYS 125 2HZ LYS 125 29.249 -8.946 -4.170 940 3HZ LYS 125 3HZ LYS 125 28.090 -7.804 -3.954 941 H GLU 126 H GLU 126 24.457 -9.888 2.648 942 HA GLU 126 HA GLU 126 24.684 -12.622 2.222 943 1HB GLU 126 1HB GLU 126 27.266 -11.442 2.568 944 2HB GLU 126 2HB GLU 126 26.905 -12.115 4.080 945 1HG GLU 126 1HG GLU 126 26.508 -13.686 1.530 946 2HG GLU 126 2HG GLU 126 28.034 -13.668 2.416 947 H ASN 127 H ASN 127 25.880 -10.792 5.041 948 HA ASN 127 HA ASN 127 23.380 -11.400 6.451 949 1HB ASN 127 1HB ASN 127 25.022 -11.514 8.504 950 2HB ASN 127 2HB ASN 127 24.808 -12.941 7.496 951 1HD2 ASN 127 1HD2 ASN 127 26.973 -10.572 8.675 952 2HD2 ASN 127 2HD2 ASN 127 28.405 -11.103 7.775 953 H GLN 128 H GLN 128 26.426 -9.530 6.598 954 HA GLN 128 HA GLN 128 25.030 -7.079 6.831 955 1HB GLN 128 1HB GLN 128 25.773 -8.497 9.299 956 2HB GLN 128 2HB GLN 128 26.594 -6.960 9.188 957 1HG GLN 128 1HG GLN 128 24.043 -6.237 8.404 958 2HG GLN 128 2HG GLN 128 23.713 -7.521 9.549 959 1HE2 GLN 128 1HE2 GLN 128 22.828 -5.122 10.155 960 2HE2 GLN 128 2HE2 GLN 128 23.818 -4.358 11.415 961 H GLY 129 H GLY 129 26.336 -6.841 4.928 962 1HA GLY 129 1HA GLY 129 29.226 -6.327 5.521 963 2HA GLY 129 2HA GLY 129 28.573 -6.808 3.952 964 H GLU 130 H GLU 130 27.939 -5.243 2.531 965 HA GLU 130 HA GLU 130 28.318 -2.479 3.415 966 1HB GLU 130 1HB GLU 130 28.592 -3.988 0.923 967 2HB GLU 130 2HB GLU 130 27.620 -2.550 0.653 968 1HG GLU 130 1HG GLU 130 29.356 -1.110 0.978 969 2HG GLU 130 2HG GLU 130 29.992 -2.003 2.354 970 H LEU 131 H LEU 131 26.787 -0.791 2.986 971 HA LEU 131 HA LEU 131 24.043 -1.774 3.343 972 1HB LEU 131 1HB LEU 131 25.519 0.830 3.785 973 2HB LEU 131 2HB LEU 131 23.769 0.868 3.557 974 HG LEU 131 HG LEU 131 25.234 -0.680 5.671 975 1HD1 LEU 131 1HD1 LEU 131 23.732 1.918 5.806 976 2HD1 LEU 131 2HD1 LEU 131 24.128 0.951 7.245 977 3HD1 LEU 131 3HD1 LEU 131 25.424 1.586 6.225 978 1HD2 LEU 131 1HD2 LEU 131 22.829 -0.885 6.632 979 2HD2 LEU 131 2HD2 LEU 131 22.256 -0.382 5.036 980 3HD2 LEU 131 3HD2 LEU 131 23.159 -1.850 5.191 981 H LYS 132 H LYS 132 22.338 -1.297 2.001 982 HA LYS 132 HA LYS 132 22.766 0.198 -0.452 983 1HB LYS 132 1HB LYS 132 22.053 -1.801 -1.837 984 2HB LYS 132 2HB LYS 132 23.707 -1.707 -1.289 985 1HG LYS 132 1HG LYS 132 23.003 -3.234 0.686 986 2HG LYS 132 2HG LYS 132 21.471 -3.435 -0.177 987 1HD LYS 132 1HD LYS 132 23.129 -5.258 -0.579 988 2HD LYS 132 2HD LYS 132 22.780 -4.377 -2.076 989 1HE LYS 132 1HE LYS 132 24.905 -3.234 -1.897 990 2HE LYS 132 2HE LYS 132 25.110 -3.726 -0.210 991 1HZ LYS 132 1HZ LYS 132 26.352 -5.299 -1.202 992 2HZ LYS 132 2HZ LYS 132 24.894 -6.088 -1.375 993 3HZ LYS 132 3HZ LYS 132 25.535 -5.246 -2.644 994 H LEU 133 H LEU 133 20.686 -0.040 -1.826 995 HA LEU 133 HA LEU 133 18.498 0.501 0.052 996 1HB LEU 133 1HB LEU 133 19.239 1.847 -2.121 997 2HB LEU 133 2HB LEU 133 18.261 0.686 -2.950 998 HG LEU 133 HG LEU 133 16.340 1.345 -1.422 999 1HD1 LEU 133 1HD1 LEU 133 16.606 3.590 -0.313 1000 2HD1 LEU 133 2HD1 LEU 133 17.402 2.272 0.472 1001 3HD1 LEU 133 3HD1 LEU 133 18.364 3.364 -0.517 1002 1HD2 LEU 133 1HD2 LEU 133 17.292 3.774 -2.845 1003 2HD2 LEU 133 2HD2 LEU 133 16.973 2.336 -3.776 1004 3HD2 LEU 133 3HD2 LEU 133 15.686 3.077 -2.804 1005 H CYS 134 H CYS 134 16.653 -0.720 0.196 1006 HA CYS 134 HA CYS 134 16.782 -3.456 -0.289 1007 1HB CYS 134 1HB CYS 134 14.379 -1.717 0.354 1008 2HB CYS 134 2HB CYS 134 14.398 -3.472 0.393 1009 H SER 135 H SER 135 14.450 -4.278 -1.389 1010 HA SER 135 HA SER 135 13.801 -2.918 -3.823 1011 1HB SER 135 1HB SER 135 15.596 -3.639 -5.004 1012 2HB SER 135 2HB SER 135 16.019 -4.897 -3.841 1013 HG SER 135 HG SER 135 14.692 -6.293 -4.864 1014 H HIS 136 H HIS 136 11.749 -3.426 -4.105 1015 HA HIS 136 HA HIS 136 10.239 -5.164 -2.670 1016 1HB HIS 136 1HB HIS 136 9.598 -4.902 -5.571 1017 2HB HIS 136 2HB HIS 136 8.536 -4.855 -4.195 1018 HD1 HIS 136 HD1 HIS 136 10.246 -2.737 -6.623 1019 HD2 HIS 136 HD2 HIS 136 8.871 -2.328 -2.652 1020 HE1 HIS 136 HE1 HIS 136 10.112 -0.180 -6.146 1021 HE2 HIS 136 HE2 HIS 136 9.239 0.030 -3.707 Start of MODEL 11 1 1H ALA 1 H1 ALA 1 1.201 0.971 0.287 2 2H ALA 1 H2 ALA 1 1.865 -0.469 0.739 3 3H ALA 1 H3 ALA 1 0.428 -0.447 -0.107 4 HA ALA 1 HA ALA 1 3.011 -0.567 -1.102 5 1HB ALA 1 1HB ALA 1 0.412 -0.100 -2.642 6 2HB ALA 1 2HB ALA 1 1.882 -0.939 -3.205 7 3HB ALA 1 3HB ALA 1 0.859 -1.682 -1.954 8 H VAL 2 H VAL 2 2.235 1.031 -3.615 9 HA VAL 2 HA VAL 2 2.051 3.760 -2.925 10 HB VAL 2 HB VAL 2 4.410 3.084 -2.033 11 1HG1 VAL 2 1HG1 VAL 2 5.314 3.333 -4.846 12 2HG1 VAL 2 2HG1 VAL 2 6.137 2.639 -3.400 13 3HG1 VAL 2 3HG1 VAL 2 4.864 1.735 -4.214 14 1HG2 VAL 2 1HG2 VAL 2 4.071 5.314 -2.024 15 2HG2 VAL 2 2HG2 VAL 2 5.371 5.231 -3.225 16 3HG2 VAL 2 3HG2 VAL 2 3.686 5.428 -3.760 17 H THR 3 H THR 3 1.357 4.754 -4.726 18 HA THR 3 HA THR 3 1.363 3.224 -7.261 19 HB THR 3 HB THR 3 -0.227 5.396 -6.001 20 HG1 THR 3 HG1 THR 3 -1.730 4.042 -6.836 21 1HG2 THR 3 1HG2 THR 3 0.524 5.385 -8.899 22 2HG2 THR 3 2HG2 THR 3 -1.118 5.895 -8.334 23 3HG2 THR 3 3HG2 THR 3 0.317 6.785 -7.825 24 H TRP 4 H TRP 4 2.948 3.401 -8.708 25 HA TRP 4 HA TRP 4 4.830 5.645 -8.468 26 1HB TRP 4 1HB TRP 4 4.744 3.199 -10.279 27 2HB TRP 4 2HB TRP 4 6.003 4.400 -10.171 28 HD1 TRP 4 HD1 TRP 4 4.204 2.180 -7.574 29 HE1 TRP 4 HE1 TRP 4 5.984 1.197 -5.948 30 HE3 TRP 4 HE3 TRP 4 8.336 4.253 -9.616 31 HZ2 TRP 4 HZ2 TRP 4 8.815 1.307 -5.638 32 HZ3 TRP 4 HZ3 TRP 4 10.586 3.725 -8.731 33 HH2 TRP 4 HH2 TRP 4 10.861 2.182 -6.779 34 H THR 5 H THR 5 4.980 7.297 -9.969 35 HA THR 5 HA THR 5 3.108 7.196 -12.326 36 HB THR 5 HB THR 5 3.108 9.069 -10.005 37 HG1 THR 5 HG1 THR 5 0.939 9.070 -10.753 38 1HG2 THR 5 1HG2 THR 5 3.725 10.734 -11.626 39 2HG2 THR 5 2HG2 THR 5 2.744 9.941 -12.909 40 3HG2 THR 5 3HG2 THR 5 1.946 10.772 -11.556 41 H CYS 6 H CYS 6 3.906 7.876 -14.153 42 HA CYS 6 HA CYS 6 6.610 9.198 -14.053 43 1HB CYS 6 1HB CYS 6 5.741 6.714 -15.425 44 2HB CYS 6 2HB CYS 6 6.456 7.867 -16.488 45 H GLY 7 H GLY 7 5.023 11.043 -13.914 46 1HA GLY 7 1HA GLY 7 3.734 12.740 -14.873 47 2HA GLY 7 2HA GLY 7 5.073 12.748 -16.019 48 H GLY 8 H GLY 8 1.766 11.692 -15.438 49 1HA GLY 8 1HA GLY 8 0.575 11.965 -17.783 50 2HA GLY 8 2HA GLY 8 1.561 10.538 -18.179 51 H LEU 9 H LEU 9 1.399 8.672 -16.595 52 HA LEU 9 HA LEU 9 -1.307 8.495 -15.364 53 1HB LEU 9 1HB LEU 9 -0.003 6.572 -17.316 54 2HB LEU 9 2HB LEU 9 -1.347 6.167 -16.279 55 HG LEU 9 HG LEU 9 -1.759 8.598 -17.970 56 1HD1 LEU 9 1HD1 LEU 9 -0.635 6.640 -19.372 57 2HD1 LEU 9 2HD1 LEU 9 -2.303 6.014 -19.357 58 3HD1 LEU 9 3HD1 LEU 9 -1.952 7.639 -19.988 59 1HD2 LEU 9 1HD2 LEU 9 -3.438 6.442 -16.716 60 2HD2 LEU 9 2HD2 LEU 9 -3.702 8.190 -16.834 61 3HD2 LEU 9 3HD2 LEU 9 -4.016 7.146 -18.227 62 H LEU 10 H LEU 10 -1.463 6.800 -13.805 63 HA LEU 10 HA LEU 10 1.108 6.394 -12.408 64 1HB LEU 10 1HB LEU 10 0.007 6.587 -10.465 65 2HB LEU 10 2HB LEU 10 -0.940 7.675 -11.401 66 HG LEU 10 HG LEU 10 -2.386 6.441 -10.009 67 1HD1 LEU 10 1HD1 LEU 10 -4.001 5.720 -11.540 68 2HD1 LEU 10 2HD1 LEU 10 -3.016 6.920 -12.431 69 3HD1 LEU 10 3HD1 LEU 10 -2.807 5.176 -12.724 70 1HD2 LEU 10 1HD2 LEU 10 -2.021 3.713 -11.129 71 2HD2 LEU 10 2HD2 LEU 10 -0.650 4.295 -10.191 72 3HD2 LEU 10 3HD2 LEU 10 -2.221 4.238 -9.433 73 H TYR 11 H TYR 11 1.541 4.363 -11.464 74 HA TYR 11 HA TYR 11 0.086 2.021 -12.628 75 1HB TYR 11 1HB TYR 11 3.103 2.363 -12.361 76 2HB TYR 11 2HB TYR 11 2.223 1.041 -13.149 77 HD1 TYR 11 HD1 TYR 11 3.284 4.613 -13.380 78 HD2 TYR 11 HD2 TYR 11 1.351 1.323 -15.384 79 HE1 TYR 11 HE1 TYR 11 3.364 5.878 -15.543 80 HE2 TYR 11 HE2 TYR 11 1.456 2.596 -17.538 81 HH TYR 11 HH TYR 11 2.068 4.422 -18.511 82 H ASN 12 H ASN 12 -0.812 1.107 -10.903 83 HA ASN 12 HA ASN 12 0.105 1.341 -8.238 84 1HB ASN 12 1HB ASN 12 -2.072 0.057 -9.546 85 2HB ASN 12 2HB ASN 12 -1.192 -1.268 -8.803 86 1HD2 ASN 12 1HD2 ASN 12 -0.360 -0.699 -6.475 87 2HD2 ASN 12 2HD2 ASN 12 -1.651 0.047 -5.496 88 H GLN 13 H GLN 13 2.013 0.666 -7.391 89 HA GLN 13 HA GLN 13 3.739 -1.033 -8.678 90 1HB GLN 13 1HB GLN 13 4.326 0.300 -6.715 91 2HB GLN 13 2HB GLN 13 3.390 -0.744 -5.656 92 1HG GLN 13 1HG GLN 13 5.928 -1.180 -5.663 93 2HG GLN 13 2HG GLN 13 4.941 -2.607 -6.037 94 1HE2 GLN 13 1HE2 GLN 13 5.752 0.197 -8.178 95 2HE2 GLN 13 2HE2 GLN 13 6.585 -0.846 -9.335 96 H ASN 14 H ASN 14 1.248 -1.936 -6.378 97 HA ASN 14 HA ASN 14 1.851 -4.634 -6.063 98 1HB ASN 14 1HB ASN 14 -0.346 -2.972 -5.452 99 2HB ASN 14 2HB ASN 14 -1.025 -4.059 -6.661 100 1HD2 ASN 14 1HD2 ASN 14 -2.288 -4.361 -4.488 101 2HD2 ASN 14 2HD2 ASN 14 -1.640 -5.731 -3.547 102 H LYS 15 H LYS 15 0.793 -3.008 -8.927 103 HA LYS 15 HA LYS 15 0.350 -5.552 -10.378 104 1HB LYS 15 1HB LYS 15 -0.779 -2.804 -10.591 105 2HB LYS 15 2HB LYS 15 -0.200 -3.478 -12.104 106 1HG LYS 15 1HG LYS 15 -1.570 -5.664 -10.815 107 2HG LYS 15 2HG LYS 15 -2.503 -4.250 -10.408 108 1HD LYS 15 1HD LYS 15 -3.223 -3.979 -12.478 109 2HD LYS 15 2HD LYS 15 -1.686 -4.323 -13.274 110 1HE LYS 15 1HE LYS 15 -3.037 -6.096 -13.962 111 2HE LYS 15 2HE LYS 15 -2.046 -6.803 -12.685 112 1HZ LYS 15 1HZ LYS 15 -4.780 -6.779 -12.846 113 2HZ LYS 15 2HZ LYS 15 -3.947 -7.106 -11.441 114 3HZ LYS 15 3HZ LYS 15 -4.511 -5.596 -11.801 115 H ALA 16 H ALA 16 2.488 -2.707 -10.130 116 HA ALA 16 HA ALA 16 3.879 -3.121 -12.590 117 1HB ALA 16 1HB ALA 16 5.157 -2.333 -10.045 118 2HB ALA 16 2HB ALA 16 5.470 -1.687 -11.665 119 3HB ALA 16 3HB ALA 16 3.968 -1.211 -10.790 120 H GLU 17 H GLU 17 4.234 -4.632 -9.344 121 HA GLU 17 HA GLU 17 6.400 -6.375 -10.332 122 1HB GLU 17 1HB GLU 17 6.146 -7.363 -8.016 123 2HB GLU 17 2HB GLU 17 6.836 -5.738 -8.145 124 1HG GLU 17 1HG GLU 17 5.000 -4.685 -7.306 125 2HG GLU 17 2HG GLU 17 3.839 -5.943 -7.730 126 H SER 18 H SER 18 2.977 -6.611 -9.257 127 HA SER 18 HA SER 18 2.843 -9.483 -9.571 128 1HB SER 18 1HB SER 18 1.200 -8.271 -8.239 129 2HB SER 18 2HB SER 18 0.609 -7.482 -9.737 130 HG SER 18 HG SER 18 -0.487 -9.130 -10.197 131 H ASN 19 H ASN 19 1.530 -6.842 -11.704 132 HA ASN 19 HA ASN 19 0.654 -8.424 -13.868 133 1HB ASN 19 1HB ASN 19 0.515 -5.820 -13.405 134 2HB ASN 19 2HB ASN 19 2.045 -5.831 -14.310 135 1HD2 ASN 19 1HD2 ASN 19 -1.230 -5.639 -14.556 136 2HD2 ASN 19 2HD2 ASN 19 -1.303 -6.071 -16.281 137 H SER 20 H SER 20 3.870 -7.594 -12.784 138 HA SER 20 HA SER 20 5.139 -8.528 -15.266 139 1HB SER 20 1HB SER 20 7.073 -7.646 -14.498 140 2HB SER 20 2HB SER 20 5.916 -6.689 -13.556 141 HG SER 20 HG SER 20 6.260 -8.159 -11.797 142 H HIS 21 H HIS 21 4.564 -9.671 -11.943 143 HA HIS 21 HA HIS 21 6.255 -11.881 -11.767 144 1HB HIS 21 1HB HIS 21 3.426 -11.413 -10.742 145 2HB HIS 21 2HB HIS 21 4.154 -12.968 -10.561 146 HD1 HIS 21 HD1 HIS 21 3.869 -12.378 -7.912 147 HD2 HIS 21 HD2 HIS 21 6.657 -10.132 -10.127 148 HE1 HIS 21 HE1 HIS 21 5.400 -11.208 -6.186 149 HE2 HIS 21 HE2 HIS 21 7.066 -9.820 -7.531 150 H HIS 22 H HIS 22 3.286 -11.599 -13.710 151 HA HIS 22 HA HIS 22 3.253 -14.329 -14.500 152 1HB HIS 22 1HB HIS 22 2.027 -12.278 -16.269 153 2HB HIS 22 2HB HIS 22 1.371 -13.769 -15.628 154 HD1 HIS 22 HD1 HIS 22 -0.042 -10.790 -15.742 155 HD2 HIS 22 HD2 HIS 22 1.629 -12.860 -12.431 156 HE1 HIS 22 HE1 HIS 22 -1.066 -9.797 -13.669 157 HE2 HIS 22 HE2 HIS 22 -0.032 -11.078 -11.605 158 H ALA 23 H ALA 23 4.442 -11.290 -15.992 159 HA ALA 23 HA ALA 23 5.226 -12.021 -18.429 160 1HB ALA 23 1HB ALA 23 6.566 -10.235 -18.437 161 2HB ALA 23 2HB ALA 23 5.636 -9.828 -16.977 162 3HB ALA 23 3HB ALA 23 7.278 -10.527 -16.849 163 HA PRO 24 HA PRO 24 7.960 -15.426 -17.599 164 1HB PRO 24 1HB PRO 24 8.842 -15.821 -20.223 165 2HB PRO 24 2HB PRO 24 7.326 -16.471 -19.515 166 1HG PRO 24 1HG PRO 24 7.784 -14.245 -21.356 167 2HG PRO 24 2HG PRO 24 6.259 -15.178 -21.105 168 1HD PRO 24 1HD PRO 24 6.873 -12.561 -20.181 169 2HD PRO 24 2HD PRO 24 5.477 -13.568 -19.723 170 H LEU 25 H LEU 25 9.900 -15.263 -16.716 171 HA LEU 25 HA LEU 25 11.600 -13.045 -17.103 172 1HB LEU 25 1HB LEU 25 11.342 -15.079 -15.225 173 2HB LEU 25 2HB LEU 25 12.823 -15.539 -16.022 174 HG LEU 25 HG LEU 25 13.951 -13.566 -15.409 175 1HD1 LEU 25 1HD1 LEU 25 12.669 -11.770 -15.806 176 2HD1 LEU 25 2HD1 LEU 25 11.228 -12.446 -15.035 177 3HD1 LEU 25 3HD1 LEU 25 12.598 -11.776 -14.057 178 1HD2 LEU 25 1HD2 LEU 25 12.990 -13.493 -12.848 179 2HD2 LEU 25 2HD2 LEU 25 12.429 -15.073 -13.345 180 3HD2 LEU 25 3HD2 LEU 25 14.161 -14.658 -13.464 181 H SER 26 H SER 26 12.148 -12.665 -19.151 182 HA SER 26 HA SER 26 14.414 -13.988 -20.239 183 1HB SER 26 1HB SER 26 11.833 -15.151 -20.961 184 2HB SER 26 2HB SER 26 12.769 -14.563 -22.355 185 HG SER 26 HG SER 26 14.602 -15.729 -21.244 186 H ASP 27 H ASP 27 14.944 -13.068 -22.405 187 HA ASP 27 HA ASP 27 13.827 -10.364 -22.724 188 1HB ASP 27 1HB ASP 27 15.941 -9.786 -22.861 189 2HB ASP 27 2HB ASP 27 16.488 -11.446 -22.800 190 H GLY 28 H GLY 28 12.217 -10.274 -24.203 191 1HA GLY 28 1HA GLY 28 11.119 -10.635 -26.224 192 2HA GLY 28 2HA GLY 28 12.720 -10.768 -26.955 193 H LYS 29 H LYS 29 10.284 -12.567 -25.120 194 HA LYS 29 HA LYS 29 10.675 -14.918 -26.857 195 1HB LYS 29 1HB LYS 29 11.637 -14.782 -24.054 196 2HB LYS 29 2HB LYS 29 10.704 -16.213 -24.393 197 1HG LYS 29 1HG LYS 29 12.601 -15.704 -26.589 198 2HG LYS 29 2HG LYS 29 13.433 -15.762 -25.033 199 1HD LYS 29 1HD LYS 29 12.417 -17.944 -24.561 200 2HD LYS 29 2HD LYS 29 11.436 -17.847 -26.033 201 1HE LYS 29 1HE LYS 29 13.076 -18.781 -27.220 202 2HE LYS 29 2HE LYS 29 14.099 -17.385 -26.898 203 1HZ LYS 29 1HZ LYS 29 14.671 -19.867 -26.072 204 2HZ LYS 29 2HZ LYS 29 15.260 -18.517 -25.354 205 3HZ LYS 29 3HZ LYS 29 13.948 -19.264 -24.725 206 H THR 30 H THR 30 8.618 -12.874 -26.216 207 HA THR 30 HA THR 30 6.419 -14.759 -25.482 208 HB THR 30 HB THR 30 5.367 -12.877 -24.457 209 HG1 THR 30 HG1 THR 30 6.219 -10.857 -24.645 210 1HG2 THR 30 1HG2 THR 30 8.029 -12.229 -23.344 211 2HG2 THR 30 2HG2 THR 30 6.540 -12.860 -22.589 212 3HG2 THR 30 3HG2 THR 30 7.648 -13.967 -23.421 213 H GLY 31 H GLY 31 4.453 -14.400 -26.588 214 1HA GLY 31 1HA GLY 31 4.506 -14.283 -29.300 215 2HA GLY 31 2HA GLY 31 3.136 -13.694 -28.374 216 H SER 32 H SER 32 3.966 -11.434 -27.210 217 HA SER 32 HA SER 32 4.004 -9.581 -29.466 218 1HB SER 32 1HB SER 32 2.652 -8.893 -27.601 219 2HB SER 32 2HB SER 32 3.959 -9.251 -26.455 220 HG SER 32 HG SER 32 3.672 -6.997 -26.891 221 H SER 33 H SER 33 6.060 -9.560 -26.567 222 HA SER 33 HA SER 33 8.515 -9.923 -27.781 223 1HB SER 33 1HB SER 33 9.424 -7.646 -27.981 224 2HB SER 33 2HB SER 33 8.039 -7.825 -29.064 225 HG SER 33 HG SER 33 8.377 -6.074 -27.056 226 H TYR 34 H TYR 34 7.120 -7.520 -25.570 227 HA TYR 34 HA TYR 34 9.109 -7.626 -23.665 228 1HB TYR 34 1HB TYR 34 6.135 -7.099 -23.273 229 2HB TYR 34 2HB TYR 34 7.405 -6.628 -22.161 230 HD1 TYR 34 HD1 TYR 34 5.847 -5.981 -25.456 231 HD2 TYR 34 HD2 TYR 34 8.814 -4.669 -22.628 232 HE1 TYR 34 HE1 TYR 34 6.152 -3.890 -26.757 233 HE2 TYR 34 HE2 TYR 34 9.080 -2.552 -23.954 234 HH TYR 34 HH TYR 34 8.514 -1.387 -25.709 235 HA PRO 35 HA PRO 35 9.254 -7.420 -21.426 236 1HB PRO 35 1HB PRO 35 10.970 -8.662 -19.691 237 2HB PRO 35 2HB PRO 35 9.395 -7.994 -19.264 238 1HG PRO 35 1HG PRO 35 10.197 -10.824 -19.609 239 2HG PRO 35 2HG PRO 35 8.798 -10.150 -18.721 240 1HD PRO 35 1HD PRO 35 8.810 -11.382 -21.319 241 2HD PRO 35 2HD PRO 35 7.423 -10.596 -20.520 242 H HIS 36 H HIS 36 11.669 -6.946 -21.368 243 HA HIS 36 HA HIS 36 13.199 -8.603 -23.246 244 1HB HIS 36 1HB HIS 36 13.738 -6.702 -24.695 245 2HB HIS 36 2HB HIS 36 12.072 -7.274 -24.843 246 HD1 HIS 36 HD1 HIS 36 13.659 -4.269 -25.161 247 HD2 HIS 36 HD2 HIS 36 10.713 -5.523 -22.473 248 HE1 HIS 36 HE1 HIS 36 12.402 -2.135 -24.360 249 HE2 HIS 36 HE2 HIS 36 10.599 -3.046 -22.714 250 H TRP 37 H TRP 37 15.459 -7.677 -23.543 251 HA TRP 37 HA TRP 37 16.470 -7.235 -20.839 252 1HB TRP 37 1HB TRP 37 17.762 -8.495 -22.396 253 2HB TRP 37 2HB TRP 37 17.713 -7.222 -23.577 254 HD1 TRP 37 HD1 TRP 37 18.898 -7.049 -19.842 255 HE1 TRP 37 HE1 TRP 37 21.228 -5.976 -19.780 256 HE3 TRP 37 HE3 TRP 37 19.511 -6.426 -24.821 257 HZ2 TRP 37 HZ2 TRP 37 23.082 -4.920 -21.667 258 HZ3 TRP 37 HZ3 TRP 37 21.603 -5.355 -25.685 259 HH2 TRP 37 HH2 TRP 37 23.319 -4.566 -24.105 260 H PHE 38 H PHE 38 16.868 -5.460 -19.811 261 HA PHE 38 HA PHE 38 16.294 -2.832 -21.096 262 1HB PHE 38 1HB PHE 38 14.968 -3.464 -19.085 263 2HB PHE 38 2HB PHE 38 16.453 -3.812 -18.212 264 HD1 PHE 38 HD1 PHE 38 15.250 -0.913 -20.306 265 HD2 PHE 38 HD2 PHE 38 17.058 -2.204 -16.628 266 HE1 PHE 38 HE1 PHE 38 15.435 1.394 -19.578 267 HE2 PHE 38 HE2 PHE 38 17.135 0.132 -15.835 268 HZ PHE 38 HZ PHE 38 16.394 1.948 -17.327 269 H THR 39 H THR 39 18.366 -3.019 -22.162 270 HA THR 39 HA THR 39 20.924 -3.151 -21.171 271 HB THR 39 HB THR 39 21.440 -1.291 -22.813 272 HG1 THR 39 HG1 THR 39 19.622 -0.645 -24.048 273 1HG2 THR 39 1HG2 THR 39 21.381 -2.923 -24.330 274 2HG2 THR 39 2HG2 THR 39 20.167 -3.786 -23.351 275 3HG2 THR 39 3HG2 THR 39 19.629 -2.677 -24.599 276 H ASN 40 H ASN 40 18.541 -0.647 -20.457 277 HA ASN 40 HA ASN 40 18.623 1.146 -18.995 278 1HB ASN 40 1HB ASN 40 19.002 -0.785 -17.404 279 2HB ASN 40 2HB ASN 40 20.697 -0.586 -17.564 280 1HD2 ASN 40 1HD2 ASN 40 20.938 -0.135 -15.390 281 2HD2 ASN 40 2HD2 ASN 40 20.520 1.438 -14.698 282 H GLY 41 H GLY 41 20.666 0.844 -21.212 283 1HA GLY 41 1HA GLY 41 21.915 2.845 -21.905 284 2HA GLY 41 2HA GLY 41 22.571 2.936 -20.275 285 H TYR 42 H TYR 42 23.100 0.111 -19.885 286 HA TYR 42 HA TYR 42 25.706 -0.149 -20.702 287 1HB TYR 42 1HB TYR 42 23.579 -2.271 -20.152 288 2HB TYR 42 2HB TYR 42 25.274 -2.636 -20.279 289 HD1 TYR 42 HD1 TYR 42 26.832 -1.270 -18.765 290 HD2 TYR 42 HD2 TYR 42 22.680 -1.748 -17.938 291 HE1 TYR 42 HE1 TYR 42 27.268 -0.854 -16.275 292 HE2 TYR 42 HE2 TYR 42 23.075 -1.230 -15.535 293 HH TYR 42 HH TYR 42 25.912 -1.475 -14.031 294 H ASP 43 H ASP 43 26.768 -1.414 -22.289 295 HA ASP 43 HA ASP 43 25.379 -1.378 -24.897 296 1HB ASP 43 1HB ASP 43 28.137 -1.480 -23.892 297 2HB ASP 43 2HB ASP 43 27.866 -2.697 -25.125 298 H GLY 44 H GLY 44 26.622 -3.719 -22.576 299 1HA GLY 44 1HA GLY 44 24.855 -5.838 -23.533 300 2HA GLY 44 2HA GLY 44 26.548 -6.118 -23.923 301 H ASP 45 H ASP 45 28.071 -6.074 -22.094 302 HA ASP 45 HA ASP 45 26.825 -7.122 -19.593 303 1HB ASP 45 1HB ASP 45 29.097 -7.981 -21.326 304 2HB ASP 45 2HB ASP 45 29.550 -7.756 -19.640 305 H GLY 46 H GLY 46 29.887 -5.654 -20.635 306 1HA GLY 46 1HA GLY 46 30.661 -4.541 -18.180 307 2HA GLY 46 2HA GLY 46 31.198 -3.968 -19.779 308 H LYS 47 H LYS 47 31.183 -1.901 -18.520 309 HA LYS 47 HA LYS 47 28.703 -0.707 -17.738 310 1HB LYS 47 1HB LYS 47 31.186 0.739 -18.661 311 2HB LYS 47 2HB LYS 47 29.887 1.359 -17.622 312 1HG LYS 47 1HG LYS 47 30.531 -0.697 -16.067 313 2HG LYS 47 2HG LYS 47 32.044 -0.660 -16.973 314 1HD LYS 47 1HD LYS 47 32.748 0.945 -15.542 315 2HD LYS 47 2HD LYS 47 31.617 2.035 -16.337 316 1HE LYS 47 1HE LYS 47 29.918 0.695 -14.613 317 2HE LYS 47 2HE LYS 47 31.418 0.632 -13.697 318 1HZ LYS 47 1HZ LYS 47 30.141 2.631 -13.203 319 2HZ LYS 47 2HZ LYS 47 31.553 3.058 -13.932 320 3HZ LYS 47 3HZ LYS 47 30.143 3.077 -14.776 321 H LEU 48 H LEU 48 28.583 1.721 -19.000 322 HA LEU 48 HA LEU 48 27.290 0.849 -21.542 323 1HB LEU 48 1HB LEU 48 26.830 3.571 -20.698 324 2HB LEU 48 2HB LEU 48 25.720 2.265 -21.082 325 HG LEU 48 HG LEU 48 26.233 1.403 -18.654 326 1HD1 LEU 48 1HD1 LEU 48 27.934 3.652 -18.726 327 2HD1 LEU 48 2HD1 LEU 48 26.503 4.269 -17.902 328 3HD1 LEU 48 3HD1 LEU 48 27.331 2.816 -17.264 329 1HD2 LEU 48 1HD2 LEU 48 24.075 1.907 -18.904 330 2HD2 LEU 48 2HD2 LEU 48 24.517 3.183 -17.843 331 3HD2 LEU 48 3HD2 LEU 48 24.404 3.565 -19.552 332 HA PRO 49 HA PRO 49 29.988 3.018 -24.094 333 1HB PRO 49 1HB PRO 49 28.388 4.639 -25.711 334 2HB PRO 49 2HB PRO 49 28.637 2.888 -25.907 335 1HG PRO 49 1HG PRO 49 26.254 4.321 -24.867 336 2HG PRO 49 2HG PRO 49 26.378 2.666 -25.543 337 1HD PRO 49 1HD PRO 49 26.223 3.428 -22.825 338 2HD PRO 49 2HD PRO 49 26.483 1.794 -23.450 339 H LYS 50 H LYS 50 31.045 4.998 -24.606 340 HA LYS 50 HA LYS 50 31.090 6.870 -22.432 341 1HB LYS 50 1HB LYS 50 33.118 6.603 -23.360 342 2HB LYS 50 2HB LYS 50 32.543 6.596 -25.019 343 1HG LYS 50 1HG LYS 50 32.487 8.896 -25.213 344 2HG LYS 50 2HG LYS 50 32.129 9.164 -23.511 345 1HD LYS 50 1HD LYS 50 34.218 9.803 -23.243 346 2HD LYS 50 2HD LYS 50 34.664 8.106 -23.336 347 1HE LYS 50 1HE LYS 50 36.004 8.867 -25.026 348 2HE LYS 50 2HE LYS 50 34.547 8.556 -25.972 349 1HZ LYS 50 1HZ LYS 50 35.822 11.030 -25.483 350 2HZ LYS 50 2HZ LYS 50 34.556 10.726 -26.491 351 3HZ LYS 50 3HZ LYS 50 34.285 11.104 -24.922 352 H GLY 51 H GLY 51 29.134 7.757 -22.164 353 1HA GLY 51 1HA GLY 51 28.217 10.130 -22.662 354 2HA GLY 51 2HA GLY 51 28.090 9.558 -24.332 355 H ARG 52 H ARG 52 27.372 7.739 -21.328 356 HA ARG 52 HA ARG 52 24.531 7.698 -22.172 357 1HB ARG 52 1HB ARG 52 25.859 5.512 -22.538 358 2HB ARG 52 2HB ARG 52 26.007 5.447 -20.773 359 1HG ARG 52 1HG ARG 52 24.147 4.065 -21.623 360 2HG ARG 52 2HG ARG 52 23.540 5.318 -20.558 361 1HD ARG 52 1HD ARG 52 22.319 6.269 -22.183 362 2HD ARG 52 2HD ARG 52 23.663 6.246 -23.355 363 HE ARG 52 HE ARG 52 22.988 3.642 -23.345 364 1HH1 ARG 52 2HH2 ARG 52 21.061 6.490 -23.689 365 2HH1 ARG 52 1HH2 ARG 52 19.841 5.737 -24.683 366 1HH2 ARG 52 2HH1 ARG 52 21.442 2.649 -24.593 367 2HH2 ARG 52 1HH1 ARG 52 20.066 3.552 -25.186 368 H THR 53 H THR 53 23.034 7.296 -20.439 369 HA THR 53 HA THR 53 24.018 8.073 -17.757 370 HB THR 53 HB THR 53 21.872 9.499 -19.325 371 HG1 THR 53 HG1 THR 53 23.508 10.842 -19.542 372 1HG2 THR 53 1HG2 THR 53 22.213 10.956 -17.083 373 2HG2 THR 53 2HG2 THR 53 20.974 9.674 -17.172 374 3HG2 THR 53 3HG2 THR 53 22.539 9.359 -16.376 375 HA PRO 54 HA PRO 54 21.229 4.519 -17.299 376 1HB PRO 54 1HB PRO 54 22.433 3.579 -14.953 377 2HB PRO 54 2HB PRO 54 22.869 3.115 -16.589 378 1HG PRO 54 1HG PRO 54 24.284 4.933 -14.688 379 2HG PRO 54 2HG PRO 54 24.958 4.074 -16.067 380 1HD PRO 54 1HD PRO 54 24.207 6.820 -15.925 381 2HD PRO 54 2HD PRO 54 24.752 5.942 -17.378 382 H ILE 55 H ILE 55 20.066 3.734 -15.203 383 HA ILE 55 HA ILE 55 19.019 6.185 -13.884 384 HB ILE 55 HB ILE 55 17.649 3.513 -14.092 385 1HG1 ILE 55 1HG1 ILE 55 17.642 5.858 -16.057 386 2HG1 ILE 55 2HG1 ILE 55 18.028 4.177 -16.393 387 1HG2 ILE 55 1HG2 ILE 55 17.053 5.656 -12.473 388 2HG2 ILE 55 2HG2 ILE 55 16.246 6.172 -13.963 389 3HG2 ILE 55 3HG2 ILE 55 15.890 4.581 -13.227 390 1HD1 ILE 55 1HD1 ILE 55 15.816 4.855 -17.196 391 2HD1 ILE 55 2HD1 ILE 55 15.809 3.459 -16.087 392 3HD1 ILE 55 3HD1 ILE 55 15.252 5.066 -15.537 393 H LYS 56 H LYS 56 18.863 6.281 -11.702 394 HA LYS 56 HA LYS 56 20.454 4.267 -10.195 395 1HB LYS 56 1HB LYS 56 21.161 6.635 -10.110 396 2HB LYS 56 2HB LYS 56 19.611 7.107 -9.444 397 1HG LYS 56 1HG LYS 56 20.337 6.622 -7.360 398 2HG LYS 56 2HG LYS 56 20.556 4.946 -7.783 399 1HD LYS 56 1HD LYS 56 22.711 5.143 -7.396 400 2HD LYS 56 2HD LYS 56 22.829 5.978 -8.928 401 1HE LYS 56 1HE LYS 56 23.844 7.436 -7.354 402 2HE LYS 56 2HE LYS 56 22.256 8.141 -7.688 403 1HZ LYS 56 1HZ LYS 56 22.010 6.323 -5.576 404 2HZ LYS 56 2HZ LYS 56 23.270 7.299 -5.215 405 3HZ LYS 56 3HZ LYS 56 21.783 7.945 -5.519 406 H PHE 57 H PHE 57 19.641 3.279 -8.467 407 HA PHE 57 HA PHE 57 16.712 3.504 -7.871 408 1HB PHE 57 1HB PHE 57 18.339 0.932 -7.900 409 2HB PHE 57 2HB PHE 57 16.587 1.104 -7.801 410 HD1 PHE 57 HD1 PHE 57 19.525 0.881 -9.996 411 HD2 PHE 57 HD2 PHE 57 15.347 1.933 -9.852 412 HE1 PHE 57 HE1 PHE 57 19.395 0.666 -12.448 413 HE2 PHE 57 HE2 PHE 57 15.225 1.631 -12.358 414 HZ PHE 57 HZ PHE 57 17.246 1.065 -13.625 415 H GLY 58 H GLY 58 19.814 2.186 -6.699 416 1HA GLY 58 1HA GLY 58 20.621 3.033 -4.460 417 2HA GLY 58 2HA GLY 58 18.967 2.757 -3.888 418 H LYS 59 H LYS 59 19.479 0.317 -6.050 419 HA LYS 59 HA LYS 59 20.324 -1.541 -3.872 420 1HB LYS 59 1HB LYS 59 18.277 -1.608 -6.015 421 2HB LYS 59 2HB LYS 59 19.352 -2.973 -6.175 422 1HG LYS 59 1HG LYS 59 18.403 -2.279 -3.380 423 2HG LYS 59 2HG LYS 59 17.205 -2.903 -4.482 424 1HD LYS 59 1HD LYS 59 17.902 -4.975 -4.085 425 2HD LYS 59 2HD LYS 59 19.456 -4.636 -4.827 426 1HE LYS 59 1HE LYS 59 20.524 -4.161 -2.812 427 2HE LYS 59 2HE LYS 59 19.011 -3.780 -1.980 428 1HZ LYS 59 1HZ LYS 59 19.728 -5.928 -1.266 429 2HZ LYS 59 2HZ LYS 59 18.445 -6.172 -2.252 430 3HZ LYS 59 3HZ LYS 59 19.965 -6.451 -2.818 431 H SER 60 H SER 60 22.086 -2.691 -3.952 432 HA SER 60 HA SER 60 24.101 -1.958 -5.882 433 1HB SER 60 1HB SER 60 24.702 -2.456 -3.585 434 2HB SER 60 2HB SER 60 24.040 -4.099 -3.732 435 HG SER 60 HG SER 60 26.261 -3.055 -5.188 436 H ASP 61 H ASP 61 21.484 -4.043 -6.084 437 HA ASP 61 HA ASP 61 22.745 -6.100 -7.725 438 1HB ASP 61 1HB ASP 61 19.833 -5.576 -7.051 439 2HB ASP 61 2HB ASP 61 20.453 -6.960 -7.924 440 H CYS 62 H CYS 62 20.137 -3.669 -8.108 441 HA CYS 62 HA CYS 62 20.094 -3.912 -10.972 442 1HB CYS 62 1HB CYS 62 18.251 -3.053 -9.228 443 2HB CYS 62 2HB CYS 62 19.050 -1.486 -9.502 444 H ASP 63 H ASP 63 21.964 -2.120 -8.661 445 HA ASP 63 HA ASP 63 22.935 -0.084 -10.492 446 1HB ASP 63 1HB ASP 63 23.044 0.299 -8.094 447 2HB ASP 63 2HB ASP 63 23.936 -1.211 -7.862 448 H ARG 64 H ARG 64 23.960 -3.354 -9.438 449 HA ARG 64 HA ARG 64 26.507 -3.284 -10.531 450 1HB ARG 64 1HB ARG 64 26.535 -5.388 -9.737 451 2HB ARG 64 2HB ARG 64 24.856 -5.191 -9.315 452 1HG ARG 64 1HG ARG 64 24.131 -6.068 -11.522 453 2HG ARG 64 2HG ARG 64 25.847 -6.352 -11.914 454 1HD ARG 64 1HD ARG 64 24.529 -8.315 -11.121 455 2HD ARG 64 2HD ARG 64 26.172 -8.004 -10.486 456 HE ARG 64 HE ARG 64 23.934 -6.888 -8.958 457 1HH1 ARG 64 2HH2 ARG 64 26.151 -9.498 -9.305 458 2HH1 ARG 64 1HH2 ARG 64 25.969 -10.085 -7.661 459 1HH2 ARG 64 2HH1 ARG 64 23.694 -7.590 -6.833 460 2HH2 ARG 64 1HH1 ARG 64 24.555 -8.990 -6.273 461 HA PRO 65 HA PRO 65 25.928 -3.513 -14.833 462 1HB PRO 65 1HB PRO 65 28.026 -5.150 -15.660 463 2HB PRO 65 2HB PRO 65 28.112 -3.407 -15.266 464 1HG PRO 65 1HG PRO 65 29.060 -5.738 -13.673 465 2HG PRO 65 2HG PRO 65 29.545 -4.017 -13.571 466 1HD PRO 65 1HD PRO 65 27.744 -5.439 -11.878 467 2HD PRO 65 2HD PRO 65 28.157 -3.710 -11.803 468 HA PRO 66 HA PRO 66 23.622 -7.255 -15.576 469 1HB PRO 66 1HB PRO 66 22.931 -6.767 -18.236 470 2HB PRO 66 2HB PRO 66 22.112 -6.063 -16.815 471 1HG PRO 66 1HG PRO 66 23.933 -4.742 -18.743 472 2HG PRO 66 2HG PRO 66 22.728 -4.048 -17.615 473 1HD PRO 66 1HD PRO 66 25.577 -4.183 -17.269 474 2HD PRO 66 2HD PRO 66 24.336 -3.611 -16.105 475 H LYS 67 H LYS 67 23.483 -9.047 -17.203 476 HA LYS 67 HA LYS 67 26.103 -9.481 -18.532 477 1HB LYS 67 1HB LYS 67 25.062 -10.972 -16.180 478 2HB LYS 67 2HB LYS 67 25.655 -11.997 -17.463 479 1HG LYS 67 1HG LYS 67 27.498 -9.757 -17.018 480 2HG LYS 67 2HG LYS 67 27.264 -10.685 -15.571 481 1HD LYS 67 1HD LYS 67 27.784 -12.814 -16.745 482 2HD LYS 67 2HD LYS 67 27.959 -11.946 -18.261 483 1HE LYS 67 1HE LYS 67 30.158 -11.759 -17.730 484 2HE LYS 67 2HE LYS 67 29.626 -10.446 -16.711 485 1HZ LYS 67 1HZ LYS 67 30.194 -13.227 -15.945 486 2HZ LYS 67 2HZ LYS 67 30.843 -11.866 -15.302 487 3HZ LYS 67 3HZ LYS 67 29.283 -12.278 -14.975 488 H HIS 68 H HIS 68 24.378 -8.700 -20.175 489 HA HIS 68 HA HIS 68 22.480 -10.903 -20.941 490 1HB HIS 68 1HB HIS 68 21.720 -8.578 -21.067 491 2HB HIS 68 2HB HIS 68 23.051 -8.145 -22.119 492 HD1 HIS 68 HD1 HIS 68 22.915 -9.046 -24.615 493 HD2 HIS 68 HD2 HIS 68 19.581 -9.877 -22.220 494 HE1 HIS 68 HE1 HIS 68 21.000 -9.754 -26.207 495 HE2 HIS 68 HE2 HIS 68 18.965 -10.274 -24.730 496 H SER 69 H SER 69 22.540 -11.850 -23.020 497 HA SER 69 HA SER 69 25.099 -11.715 -24.529 498 1HB SER 69 1HB SER 69 24.525 -13.782 -22.652 499 2HB SER 69 2HB SER 69 24.336 -14.477 -24.268 500 HG SER 69 HG SER 69 26.564 -13.826 -22.991 501 H LYS 70 H LYS 70 24.613 -13.915 -26.159 502 HA LYS 70 HA LYS 70 22.404 -12.772 -27.820 503 1HB LYS 70 1HB LYS 70 24.979 -13.990 -28.353 504 2HB LYS 70 2HB LYS 70 23.778 -15.032 -29.030 505 1HG LYS 70 1HG LYS 70 22.771 -12.573 -29.804 506 2HG LYS 70 2HG LYS 70 24.499 -12.249 -29.769 507 1HD LYS 70 1HD LYS 70 23.621 -14.823 -31.105 508 2HD LYS 70 2HD LYS 70 23.072 -13.333 -31.847 509 1HE LYS 70 1HE LYS 70 25.648 -12.626 -31.484 510 2HE LYS 70 2HE LYS 70 25.874 -14.376 -31.444 511 1HZ LYS 70 1HZ LYS 70 26.002 -13.931 -33.700 512 2HZ LYS 70 2HZ LYS 70 24.389 -14.224 -33.575 513 3HZ LYS 70 3HZ LYS 70 24.931 -12.681 -33.643 514 H ASP 71 H ASP 71 20.888 -13.440 -26.150 515 HA ASP 71 HA ASP 71 19.380 -15.687 -26.994 516 1HB ASP 71 1HB ASP 71 21.475 -16.307 -25.023 517 2HB ASP 71 2HB ASP 71 19.903 -16.564 -24.333 518 H GLY 72 H GLY 72 20.318 -13.727 -24.204 519 1HA GLY 72 1HA GLY 72 18.659 -11.987 -23.489 520 2HA GLY 72 2HA GLY 72 17.429 -13.259 -23.583 521 H ASN 73 H ASN 73 18.888 -15.390 -22.466 522 HA ASN 73 HA ASN 73 19.840 -14.474 -19.876 523 1HB ASN 73 1HB ASN 73 17.531 -14.472 -19.281 524 2HB ASN 73 2HB ASN 73 17.224 -15.931 -20.235 525 1HD2 ASN 73 1HD2 ASN 73 20.007 -15.420 -18.108 526 2HD2 ASN 73 2HD2 ASN 73 19.536 -16.738 -17.051 527 H GLY 74 H GLY 74 21.748 -15.462 -20.886 528 1HA GLY 74 1HA GLY 74 21.723 -18.267 -21.605 529 2HA GLY 74 2HA GLY 74 23.167 -17.253 -21.290 530 H LYS 75 H LYS 75 24.321 -17.976 -19.661 531 HA LYS 75 HA LYS 75 23.555 -20.075 -17.866 532 1HB LYS 75 1HB LYS 75 25.791 -18.013 -17.910 533 2HB LYS 75 2HB LYS 75 25.561 -18.971 -16.457 534 1HG LYS 75 1HG LYS 75 25.443 -20.923 -18.439 535 2HG LYS 75 2HG LYS 75 26.637 -19.786 -19.086 536 1HD LYS 75 1HD LYS 75 27.853 -19.907 -16.891 537 2HD LYS 75 2HD LYS 75 26.634 -21.065 -16.309 538 1HE LYS 75 1HE LYS 75 27.235 -22.565 -18.256 539 2HE LYS 75 2HE LYS 75 28.526 -21.433 -18.663 540 1HZ LYS 75 1HZ LYS 75 29.009 -21.881 -16.074 541 2HZ LYS 75 2HZ LYS 75 28.382 -23.336 -16.481 542 3HZ LYS 75 3HZ LYS 75 29.703 -22.765 -17.270 543 H THR 76 H THR 76 24.449 -17.064 -16.365 544 HA THR 76 HA THR 76 21.830 -17.128 -14.888 545 HB THR 76 HB THR 76 24.181 -17.875 -13.742 546 HG1 THR 76 HG1 THR 76 22.946 -17.406 -11.825 547 1HG2 THR 76 1HG2 THR 76 25.194 -16.220 -12.412 548 2HG2 THR 76 2HG2 THR 76 24.885 -15.312 -13.915 549 3HG2 THR 76 3HG2 THR 76 23.782 -15.161 -12.529 550 H ASP 77 H ASP 77 22.938 -15.579 -17.293 551 HA ASP 77 HA ASP 77 23.708 -13.073 -17.033 552 1HB ASP 77 1HB ASP 77 21.184 -13.984 -18.477 553 2HB ASP 77 2HB ASP 77 21.952 -12.439 -18.736 554 H HIS 78 H HIS 78 23.291 -11.735 -15.325 555 HA HIS 78 HA HIS 78 20.566 -11.684 -14.113 556 1HB HIS 78 1HB HIS 78 21.776 -10.020 -12.538 557 2HB HIS 78 2HB HIS 78 22.125 -11.721 -12.424 558 HD1 HIS 78 HD1 HIS 78 23.775 -8.452 -13.010 559 HD2 HIS 78 HD2 HIS 78 24.512 -12.541 -13.704 560 HE1 HIS 78 HE1 HIS 78 26.316 -8.673 -13.358 561 HE2 HIS 78 HE2 HIS 78 26.759 -11.155 -13.807 562 H TYR 79 H TYR 79 21.296 -10.642 -16.818 563 HA TYR 79 HA TYR 79 21.301 -7.917 -17.153 564 1HB TYR 79 1HB TYR 79 20.501 -8.387 -19.256 565 2HB TYR 79 2HB TYR 79 21.423 -9.810 -18.852 566 HD1 TYR 79 HD1 TYR 79 18.660 -8.986 -20.590 567 HD2 TYR 79 HD2 TYR 79 19.505 -11.361 -17.178 568 HE1 TYR 79 HE1 TYR 79 16.726 -10.402 -21.048 569 HE2 TYR 79 HE2 TYR 79 17.611 -12.801 -17.625 570 HH TYR 79 HH TYR 79 15.758 -12.987 -18.807 571 H LEU 80 H LEU 80 19.828 -6.277 -17.056 572 HA LEU 80 HA LEU 80 17.429 -6.830 -15.414 573 1HB LEU 80 1HB LEU 80 19.024 -4.453 -16.383 574 2HB LEU 80 2HB LEU 80 17.291 -4.200 -16.210 575 HG LEU 80 HG LEU 80 18.583 -5.657 -13.961 576 1HD1 LEU 80 1HD1 LEU 80 18.955 -2.640 -14.182 577 2HD1 LEU 80 2HD1 LEU 80 19.590 -3.760 -12.959 578 3HD1 LEU 80 3HD1 LEU 80 20.234 -3.822 -14.591 579 1HD2 LEU 80 1HD2 LEU 80 16.143 -4.628 -14.398 580 2HD2 LEU 80 2HD2 LEU 80 16.856 -4.632 -12.753 581 3HD2 LEU 80 3HD2 LEU 80 16.905 -3.182 -13.731 582 H LEU 81 H LEU 81 15.277 -6.303 -16.108 583 HA LEU 81 HA LEU 81 14.913 -6.040 -19.030 584 1HB LEU 81 1HB LEU 81 13.627 -8.204 -17.288 585 2HB LEU 81 2HB LEU 81 13.125 -7.823 -18.892 586 HG LEU 81 HG LEU 81 15.946 -8.302 -19.097 587 1HD1 LEU 81 1HD1 LEU 81 16.546 -9.846 -17.704 588 2HD1 LEU 81 2HD1 LEU 81 15.149 -9.519 -16.722 589 3HD1 LEU 81 3HD1 LEU 81 15.044 -10.809 -17.955 590 1HD2 LEU 81 1HD2 LEU 81 13.470 -9.341 -20.261 591 2HD2 LEU 81 2HD2 LEU 81 15.110 -9.096 -20.916 592 3HD2 LEU 81 3HD2 LEU 81 14.726 -10.573 -20.081 593 H GLU 82 H GLU 82 12.971 -5.122 -19.637 594 HA GLU 82 HA GLU 82 11.504 -3.857 -17.371 595 1HB GLU 82 1HB GLU 82 11.113 -1.958 -18.771 596 2HB GLU 82 2HB GLU 82 12.855 -2.325 -18.860 597 1HG GLU 82 1HG GLU 82 10.969 -3.328 -20.935 598 2HG GLU 82 2HG GLU 82 11.575 -1.700 -20.997 599 H PHE 83 H PHE 83 9.262 -3.471 -17.639 600 HA PHE 83 HA PHE 83 7.977 -5.227 -19.704 601 1HB PHE 83 1HB PHE 83 8.238 -6.204 -17.308 602 2HB PHE 83 2HB PHE 83 7.044 -4.952 -16.877 603 HD1 PHE 83 HD1 PHE 83 4.823 -5.483 -16.746 604 HD2 PHE 83 HD2 PHE 83 7.418 -7.577 -19.499 605 HE1 PHE 83 HE1 PHE 83 2.963 -7.093 -17.381 606 HE2 PHE 83 HE2 PHE 83 5.523 -9.047 -20.173 607 HZ PHE 83 HZ PHE 83 3.350 -8.761 -19.018 608 HA PRO 84 HA PRO 84 5.488 -1.539 -20.235 609 1HB PRO 84 1HB PRO 84 3.525 -2.620 -21.872 610 2HB PRO 84 2HB PRO 84 5.130 -2.071 -22.387 611 1HG PRO 84 1HG PRO 84 4.120 -4.828 -22.047 612 2HG PRO 84 2HG PRO 84 5.468 -4.191 -23.029 613 1HD PRO 84 1HD PRO 84 5.586 -5.553 -20.512 614 2HD PRO 84 2HD PRO 84 6.952 -4.765 -21.379 615 H THR 85 H THR 85 4.870 -1.244 -18.086 616 HA THR 85 HA THR 85 2.567 -2.737 -17.175 617 HB THR 85 HB THR 85 4.180 -2.467 -15.504 618 HG1 THR 85 HG1 THR 85 2.249 -2.156 -14.584 619 1HG2 THR 85 1HG2 THR 85 5.625 -0.774 -15.631 620 2HG2 THR 85 2HG2 THR 85 4.543 0.205 -16.664 621 3HG2 THR 85 3HG2 THR 85 4.390 0.286 -14.913 622 H PHE 86 H PHE 86 0.513 -2.066 -17.267 623 HA PHE 86 HA PHE 86 -0.012 0.582 -18.419 624 1HB PHE 86 1HB PHE 86 -1.769 -1.841 -17.884 625 2HB PHE 86 2HB PHE 86 -2.369 -0.368 -18.569 626 HD1 PHE 86 HD1 PHE 86 0.634 -2.631 -19.265 627 HD2 PHE 86 HD2 PHE 86 -2.651 -0.330 -20.873 628 HE1 PHE 86 HE1 PHE 86 1.204 -3.436 -21.440 629 HE2 PHE 86 HE2 PHE 86 -1.984 -1.146 -23.160 630 HZ PHE 86 HZ PHE 86 -0.102 -2.767 -23.392 631 HA PRO 87 HA PRO 87 -1.468 2.215 -14.630 632 1HB PRO 87 1HB PRO 87 -3.311 4.101 -15.547 633 2HB PRO 87 2HB PRO 87 -1.540 4.289 -15.569 634 1HG PRO 87 1HG PRO 87 -3.313 3.812 -17.860 635 2HG PRO 87 2HG PRO 87 -1.648 4.474 -17.788 636 1HD PRO 87 1HD PRO 87 -2.417 1.840 -18.505 637 2HD PRO 87 2HD PRO 87 -0.771 2.502 -18.329 638 H ASP 88 H ASP 88 -4.120 1.632 -16.958 639 HA ASP 88 HA ASP 88 -6.314 1.476 -15.374 640 1HB ASP 88 1HB ASP 88 -5.772 -0.797 -17.277 641 2HB ASP 88 2HB ASP 88 -7.288 0.019 -16.942 642 H GLY 89 H GLY 89 -3.778 -0.912 -15.726 643 1HA GLY 89 1HA GLY 89 -3.022 -2.353 -14.010 644 2HA GLY 89 2HA GLY 89 -4.575 -2.202 -13.186 645 H HIS 90 H HIS 90 -4.730 -2.686 -16.618 646 HA HIS 90 HA HIS 90 -5.891 -5.412 -16.110 647 1HB HIS 90 1HB HIS 90 -6.875 -5.235 -18.241 648 2HB HIS 90 2HB HIS 90 -7.063 -3.661 -17.449 649 HD1 HIS 90 HD1 HIS 90 -6.972 -1.889 -19.302 650 HD2 HIS 90 HD2 HIS 90 -4.118 -4.956 -19.820 651 HE1 HIS 90 HE1 HIS 90 -5.557 -1.265 -21.353 652 HE2 HIS 90 HE2 HIS 90 -3.778 -3.140 -21.598 653 H ASP 91 H ASP 91 -5.079 -7.311 -17.127 654 HA ASP 91 HA ASP 91 -2.179 -7.463 -17.433 655 1HB ASP 91 1HB ASP 91 -4.051 -9.277 -16.867 656 2HB ASP 91 2HB ASP 91 -4.166 -9.397 -18.619 657 H TYR 92 H TYR 92 -0.927 -7.496 -19.219 658 HA TYR 92 HA TYR 92 -2.112 -6.375 -21.668 659 1HB TYR 92 1HB TYR 92 0.821 -6.702 -21.461 660 2HB TYR 92 2HB TYR 92 -0.126 -5.322 -21.915 661 HD1 TYR 92 HD1 TYR 92 2.333 -6.059 -19.769 662 HD2 TYR 92 HD2 TYR 92 -1.733 -4.735 -19.544 663 HE1 TYR 92 HE1 TYR 92 2.768 -4.946 -17.552 664 HE2 TYR 92 HE2 TYR 92 -1.273 -3.763 -17.244 665 HH TYR 92 HH TYR 92 0.149 -3.346 -15.710 666 H LYS 93 H LYS 93 -1.847 -7.378 -23.682 667 HA LYS 93 HA LYS 93 -1.361 -10.273 -23.558 668 1HB LYS 93 1HB LYS 93 -1.950 -10.107 -26.017 669 2HB LYS 93 2HB LYS 93 -3.214 -9.721 -24.836 670 1HG LYS 93 1HG LYS 93 -3.074 -7.373 -25.227 671 2HG LYS 93 2HG LYS 93 -1.484 -7.498 -25.996 672 1HD LYS 93 1HD LYS 93 -3.197 -7.133 -27.691 673 2HD LYS 93 2HD LYS 93 -2.461 -8.732 -27.849 674 1HE LYS 93 1HE LYS 93 -4.833 -8.689 -26.120 675 2HE LYS 93 2HE LYS 93 -5.169 -7.998 -27.713 676 1HZ LYS 93 1HZ LYS 93 -3.916 -10.078 -28.536 677 2HZ LYS 93 2HZ LYS 93 -4.237 -10.709 -27.056 678 3HZ LYS 93 3HZ LYS 93 -5.485 -10.260 -28.027 679 H PHE 94 H PHE 94 0.851 -9.846 -22.787 680 HA PHE 94 HA PHE 94 2.793 -8.991 -24.833 681 1HB PHE 94 1HB PHE 94 4.408 -9.578 -22.991 682 2HB PHE 94 2HB PHE 94 3.282 -8.278 -22.637 683 HD1 PHE 94 HD1 PHE 94 1.583 -8.529 -20.958 684 HD2 PHE 94 HD2 PHE 94 4.136 -11.848 -21.892 685 HE1 PHE 94 HE1 PHE 94 0.692 -9.727 -18.981 686 HE2 PHE 94 HE2 PHE 94 3.301 -13.030 -19.857 687 HZ PHE 94 HZ PHE 94 1.577 -11.950 -18.397 688 H ASP 95 H ASP 95 1.339 -11.922 -23.632 689 HA ASP 95 HA ASP 95 3.444 -13.650 -24.762 690 1HB ASP 95 1HB ASP 95 1.795 -13.903 -22.579 691 2HB ASP 95 2HB ASP 95 0.852 -14.762 -23.792 692 H SER 96 H SER 96 0.359 -12.285 -25.551 693 HA SER 96 HA SER 96 -0.227 -14.255 -27.660 694 1HB SER 96 1HB SER 96 -1.812 -12.540 -26.107 695 2HB SER 96 2HB SER 96 -1.873 -11.824 -27.730 696 HG SER 96 HG SER 96 -3.041 -13.501 -28.368 697 H LYS 97 H LYS 97 1.053 -14.109 -29.350 698 HA LYS 97 HA LYS 97 2.341 -11.733 -30.281 699 1HB LYS 97 1HB LYS 97 3.186 -13.019 -32.021 700 2HB LYS 97 2HB LYS 97 2.773 -14.267 -30.850 701 1HG LYS 97 1HG LYS 97 0.614 -14.651 -32.050 702 2HG LYS 97 2HG LYS 97 1.086 -13.391 -33.211 703 1HD LYS 97 1HD LYS 97 1.823 -14.988 -34.470 704 2HD LYS 97 2HD LYS 97 3.261 -14.926 -33.446 705 1HE LYS 97 1HE LYS 97 0.896 -16.613 -32.580 706 2HE LYS 97 2HE LYS 97 1.888 -17.210 -33.904 707 1HZ LYS 97 1HZ LYS 97 3.767 -17.282 -32.531 708 2HZ LYS 97 2HZ LYS 97 3.130 -16.330 -31.365 709 3HZ LYS 97 3HZ LYS 97 2.587 -17.868 -31.555 710 H LYS 98 H LYS 98 -0.637 -13.232 -31.369 711 HA LYS 98 HA LYS 98 -1.434 -10.622 -32.353 712 1HB LYS 98 1HB LYS 98 -0.483 -12.294 -34.167 713 2HB LYS 98 2HB LYS 98 -2.157 -12.883 -34.184 714 1HG LYS 98 1HG LYS 98 -2.985 -10.827 -34.957 715 2HG LYS 98 2HG LYS 98 -1.675 -9.881 -34.263 716 1HD LYS 98 1HD LYS 98 -0.780 -11.796 -36.348 717 2HD LYS 98 2HD LYS 98 -1.851 -10.519 -36.910 718 1HE LYS 98 1HE LYS 98 0.160 -9.455 -35.044 719 2HE LYS 98 2HE LYS 98 0.942 -10.330 -36.349 720 1HZ LYS 98 1HZ LYS 98 0.510 -7.954 -36.883 721 2HZ LYS 98 2HZ LYS 98 -0.221 -8.970 -37.942 722 3HZ LYS 98 3HZ LYS 98 -1.103 -8.226 -36.785 723 HA PRO 99 HA PRO 99 -3.034 -9.504 -32.707 724 1HB PRO 99 1HB PRO 99 -4.580 -7.897 -31.144 725 2HB PRO 99 2HB PRO 99 -5.052 -8.671 -32.681 726 1HG PRO 99 1HG PRO 99 -5.853 -9.373 -29.916 727 2HG PRO 99 2HG PRO 99 -6.663 -9.761 -31.459 728 1HD PRO 99 1HD PRO 99 -5.004 -11.519 -29.872 729 2HD PRO 99 2HD PRO 99 -5.725 -11.864 -31.459 730 H LYS 100 H LYS 100 -2.311 -7.365 -31.547 731 HA LYS 100 HA LYS 100 -0.950 -7.868 -28.966 732 1HB LYS 100 1HB LYS 100 0.808 -8.498 -30.130 733 2HB LYS 100 2HB LYS 100 0.398 -7.585 -31.594 734 1HG LYS 100 1HG LYS 100 1.287 -5.564 -30.777 735 2HG LYS 100 2HG LYS 100 1.130 -6.067 -29.078 736 1HD LYS 100 1HD LYS 100 3.331 -6.218 -29.292 737 2HD LYS 100 2HD LYS 100 2.855 -7.881 -29.688 738 1HE LYS 100 1HE LYS 100 3.603 -5.668 -31.598 739 2HE LYS 100 2HE LYS 100 4.595 -7.085 -31.181 740 1HZ LYS 100 1HZ LYS 100 2.640 -8.418 -32.022 741 2HZ LYS 100 2HZ LYS 100 2.057 -7.023 -32.652 742 3HZ LYS 100 3HZ LYS 100 3.508 -7.618 -33.184 743 H GLU 101 H GLU 101 -1.302 -6.218 -27.686 744 HA GLU 101 HA GLU 101 -2.369 -3.742 -28.865 745 1HB GLU 101 1HB GLU 101 -3.305 -5.130 -26.732 746 2HB GLU 101 2HB GLU 101 -2.094 -4.193 -25.874 747 1HG GLU 101 1HG GLU 101 -4.344 -3.101 -25.892 748 2HG GLU 101 2HG GLU 101 -3.112 -2.108 -26.682 749 H ASN 102 H ASN 102 -1.624 -1.696 -28.030 750 HA ASN 102 HA ASN 102 1.055 -1.284 -28.478 751 1HB ASN 102 1HB ASN 102 -1.195 0.315 -27.541 752 2HB ASN 102 2HB ASN 102 0.186 0.656 -26.499 753 1HD2 ASN 102 1HD2 ASN 102 0.907 2.571 -27.168 754 2HD2 ASN 102 2HD2 ASN 102 1.367 2.911 -28.849 755 HA PRO 103 HA PRO 103 3.097 -2.510 -24.779 756 1HB PRO 103 1HB PRO 103 5.341 -0.850 -24.811 757 2HB PRO 103 2HB PRO 103 5.070 -2.286 -25.804 758 1HG PRO 103 1HG PRO 103 4.959 0.574 -26.622 759 2HG PRO 103 2HG PRO 103 5.286 -0.890 -27.606 760 1HD PRO 103 1HD PRO 103 2.831 0.555 -27.347 761 2HD PRO 103 2HD PRO 103 3.112 -0.964 -28.246 762 H GLY 104 H GLY 104 4.232 0.798 -24.524 763 1HA GLY 104 1HA GLY 104 2.496 2.186 -23.096 764 2HA GLY 104 2HA GLY 104 2.977 0.998 -21.852 765 HA PRO 105 HA PRO 105 6.199 4.407 -22.249 766 1HB PRO 105 1HB PRO 105 5.321 6.188 -20.285 767 2HB PRO 105 2HB PRO 105 5.037 6.355 -22.034 768 1HG PRO 105 1HG PRO 105 3.168 5.576 -19.916 769 2HG PRO 105 2HG PRO 105 2.792 6.182 -21.526 770 1HD PRO 105 1HD PRO 105 2.660 3.452 -20.609 771 2HD PRO 105 2HD PRO 105 2.422 4.072 -22.267 772 H ALA 106 H ALA 106 4.725 4.324 -18.972 773 HA ALA 106 HA ALA 106 7.198 3.865 -17.713 774 1HB ALA 106 1HB ALA 106 4.555 3.021 -16.575 775 2HB ALA 106 2HB ALA 106 5.947 3.725 -15.725 776 3HB ALA 106 3HB ALA 106 5.010 4.764 -16.806 777 H ARG 107 H ARG 107 7.999 2.026 -16.686 778 HA ARG 107 HA ARG 107 6.845 -0.571 -17.330 779 1HB ARG 107 1HB ARG 107 9.485 0.418 -18.531 780 2HB ARG 107 2HB ARG 107 9.139 -1.306 -18.207 781 1HG ARG 107 1HG ARG 107 6.891 -0.704 -19.454 782 2HG ARG 107 2HG ARG 107 7.818 0.532 -20.235 783 1HD ARG 107 1HD ARG 107 9.111 -2.174 -20.148 784 2HD ARG 107 2HD ARG 107 7.618 -2.139 -21.044 785 HE ARG 107 HE ARG 107 10.084 -0.820 -21.796 786 1HH1 ARG 107 2HH2 ARG 107 6.612 -0.712 -22.081 787 2HH1 ARG 107 1HH2 ARG 107 6.596 0.184 -23.548 788 1HH2 ARG 107 2HH1 ARG 107 10.054 0.263 -23.789 789 2HH2 ARG 107 1HH1 ARG 107 8.516 0.669 -24.536 790 H VAL 108 H VAL 108 7.549 -2.213 -16.007 791 HA VAL 108 HA VAL 108 8.905 -1.315 -13.548 792 HB VAL 108 HB VAL 108 6.923 -2.616 -13.286 793 1HG1 VAL 108 1HG1 VAL 108 7.235 -5.189 -13.981 794 2HG1 VAL 108 2HG1 VAL 108 6.498 -3.965 -15.058 795 3HG1 VAL 108 3HG1 VAL 108 8.196 -4.499 -15.236 796 1HG2 VAL 108 1HG2 VAL 108 7.705 -3.841 -11.542 797 2HG2 VAL 108 2HG2 VAL 108 8.928 -4.688 -12.518 798 3HG2 VAL 108 3HG2 VAL 108 9.236 -3.042 -11.928 799 H ILE 109 H ILE 109 10.965 -1.522 -13.172 800 HA ILE 109 HA ILE 109 12.567 -3.306 -14.975 801 HB ILE 109 HB ILE 109 13.395 -0.914 -13.311 802 1HG1 ILE 109 1HG1 ILE 109 12.231 0.070 -15.059 803 2HG1 ILE 109 2HG1 ILE 109 13.882 -0.062 -15.747 804 1HG2 ILE 109 1HG2 ILE 109 15.275 -1.534 -15.329 805 2HG2 ILE 109 2HG2 ILE 109 15.479 -1.631 -13.581 806 3HG2 ILE 109 3HG2 ILE 109 14.895 -3.024 -14.608 807 1HD1 ILE 109 1HD1 ILE 109 13.097 -2.248 -16.754 808 2HD1 ILE 109 2HD1 ILE 109 11.441 -1.640 -16.418 809 3HD1 ILE 109 3HD1 ILE 109 12.498 -0.695 -17.454 810 H TYR 110 H TYR 110 13.911 -4.807 -14.267 811 HA TYR 110 HA TYR 110 14.434 -5.159 -11.439 812 1HB TYR 110 1HB TYR 110 13.189 -7.246 -11.276 813 2HB TYR 110 2HB TYR 110 12.093 -5.932 -11.622 814 HD1 TYR 110 HD1 TYR 110 10.567 -6.144 -13.422 815 HD2 TYR 110 HD2 TYR 110 14.065 -8.662 -13.385 816 HE1 TYR 110 HE1 TYR 110 9.727 -7.428 -15.397 817 HE2 TYR 110 HE2 TYR 110 13.331 -9.793 -15.376 818 HH TYR 110 HH TYR 110 10.302 -10.037 -16.282 819 H THR 111 H THR 111 16.029 -6.678 -11.026 820 HA THR 111 HA THR 111 17.594 -7.432 -13.409 821 HB THR 111 HB THR 111 19.379 -7.784 -11.906 822 HG1 THR 111 HG1 THR 111 18.403 -9.125 -10.396 823 1HG2 THR 111 1HG2 THR 111 17.667 -5.713 -10.385 824 2HG2 THR 111 2HG2 THR 111 19.435 -5.898 -10.396 825 3HG2 THR 111 3HG2 THR 111 18.577 -5.359 -11.848 826 H TYR 112 H TYR 112 18.608 -9.611 -13.483 827 HA TYR 112 HA TYR 112 16.477 -11.596 -12.889 828 1HB TYR 112 1HB TYR 112 16.717 -11.403 -15.162 829 2HB TYR 112 2HB TYR 112 18.471 -11.284 -15.106 830 HD1 TYR 112 HD1 TYR 112 15.869 -13.414 -16.003 831 HD2 TYR 112 HD2 TYR 112 19.702 -13.511 -14.031 832 HE1 TYR 112 HE1 TYR 112 16.037 -15.902 -16.351 833 HE2 TYR 112 HE2 TYR 112 19.887 -15.880 -14.409 834 HH TYR 112 HH TYR 112 18.896 -17.771 -15.098 835 HA PRO 113 HA PRO 113 16.368 -13.785 -13.118 836 1HB PRO 113 1HB PRO 113 15.827 -15.790 -11.370 837 2HB PRO 113 2HB PRO 113 16.797 -15.954 -12.845 838 1HG PRO 113 1HG PRO 113 17.708 -15.878 -10.019 839 2HG PRO 113 2HG PRO 113 18.535 -16.547 -11.457 840 1HD PRO 113 1HD PRO 113 19.080 -14.019 -10.163 841 2HD PRO 113 2HD PRO 113 19.759 -14.607 -11.682 842 H ASN 114 H ASN 114 16.703 -13.817 -9.609 843 HA ASN 114 HA ASN 114 14.084 -13.260 -8.889 844 1HB ASN 114 1HB ASN 114 16.806 -12.751 -7.722 845 2HB ASN 114 2HB ASN 114 15.643 -11.521 -7.249 846 1HD2 ASN 114 1HD2 ASN 114 15.541 -12.127 -5.151 847 2HD2 ASN 114 2HD2 ASN 114 14.729 -13.638 -4.671 848 H LYS 115 H LYS 115 12.738 -11.728 -9.608 849 HA LYS 115 HA LYS 115 13.558 -9.437 -11.087 850 1HB LYS 115 1HB LYS 115 10.979 -10.559 -10.027 851 2HB LYS 115 2HB LYS 115 10.933 -8.848 -10.392 852 1HG LYS 115 1HG LYS 115 10.866 -9.150 -12.554 853 2HG LYS 115 2HG LYS 115 12.281 -10.243 -12.544 854 1HD LYS 115 1HD LYS 115 9.373 -10.954 -12.158 855 2HD LYS 115 2HD LYS 115 10.381 -11.271 -13.552 856 1HE LYS 115 1HE LYS 115 10.996 -13.261 -12.576 857 2HE LYS 115 2HE LYS 115 11.954 -12.277 -11.477 858 1HZ LYS 115 1HZ LYS 115 10.597 -13.326 -9.979 859 2HZ LYS 115 2HZ LYS 115 9.626 -12.049 -10.327 860 3HZ LYS 115 3HZ LYS 115 9.345 -13.493 -11.051 861 H VAL 116 H VAL 116 15.124 -8.657 -9.632 862 HA VAL 116 HA VAL 116 14.477 -7.570 -7.048 863 HB VAL 116 HB VAL 116 16.768 -6.894 -8.911 864 1HG1 VAL 116 1HG1 VAL 116 17.472 -6.620 -6.132 865 2HG1 VAL 116 2HG1 VAL 116 17.478 -5.418 -7.455 866 3HG1 VAL 116 3HG1 VAL 116 16.024 -5.640 -6.470 867 1HG2 VAL 116 1HG2 VAL 116 17.071 -9.181 -8.470 868 2HG2 VAL 116 2HG2 VAL 116 18.028 -8.465 -7.221 869 3HG2 VAL 116 3HG2 VAL 116 16.373 -9.087 -6.852 870 H PHE 117 H PHE 117 12.488 -6.562 -7.814 871 HA PHE 117 HA PHE 117 11.899 -4.609 -9.516 872 1HB PHE 117 1HB PHE 117 10.311 -5.457 -7.873 873 2HB PHE 117 2HB PHE 117 11.279 -4.797 -6.552 874 HD1 PHE 117 HD1 PHE 117 9.649 -3.576 -9.712 875 HD2 PHE 117 HD2 PHE 117 10.566 -2.846 -5.548 876 HE1 PHE 117 HE1 PHE 117 8.424 -1.429 -9.814 877 HE2 PHE 117 HE2 PHE 117 9.273 -0.763 -5.626 878 HZ PHE 117 HZ PHE 117 8.276 -0.029 -7.813 879 H CYS 118 H CYS 118 13.342 -3.103 -10.186 880 HA CYS 118 HA CYS 118 14.972 -1.674 -8.257 881 1HB CYS 118 1HB CYS 118 14.709 -0.980 -11.194 882 2HB CYS 118 2HB CYS 118 16.050 -0.721 -10.066 883 H GLY 119 H GLY 119 12.251 -1.013 -10.462 884 1HA GLY 119 1HA GLY 119 10.705 0.586 -8.978 885 2HA GLY 119 2HA GLY 119 11.949 1.733 -9.524 886 H ILE 120 H ILE 120 10.617 2.929 -10.892 887 HA ILE 120 HA ILE 120 9.584 1.428 -13.281 888 HB ILE 120 HB ILE 120 8.217 3.755 -11.942 889 1HG1 ILE 120 1HG1 ILE 120 8.286 1.411 -10.608 890 2HG1 ILE 120 2HG1 ILE 120 6.960 2.529 -10.677 891 1HG2 ILE 120 1HG2 ILE 120 7.257 1.760 -14.066 892 2HG2 ILE 120 2HG2 ILE 120 6.350 3.170 -13.442 893 3HG2 ILE 120 3HG2 ILE 120 7.802 3.367 -14.444 894 1HD1 ILE 120 1HD1 ILE 120 7.202 0.133 -12.455 895 2HD1 ILE 120 2HD1 ILE 120 6.254 0.245 -10.926 896 3HD1 ILE 120 3HD1 ILE 120 5.778 1.246 -12.308 897 H ILE 121 H ILE 121 9.991 2.405 -15.197 898 HA ILE 121 HA ILE 121 11.385 5.068 -15.033 899 HB ILE 121 HB ILE 121 13.067 4.380 -16.514 900 1HG1 ILE 121 1HG1 ILE 121 11.635 1.721 -16.964 901 2HG1 ILE 121 2HG1 ILE 121 11.604 3.096 -18.099 902 1HG2 ILE 121 1HG2 ILE 121 12.685 2.873 -14.058 903 2HG2 ILE 121 2HG2 ILE 121 13.393 1.827 -15.240 904 3HG2 ILE 121 3HG2 ILE 121 14.192 3.314 -14.840 905 1HD1 ILE 121 1HD1 ILE 121 13.265 1.794 -18.945 906 2HD1 ILE 121 2HD1 ILE 121 14.183 2.993 -17.960 907 3HD1 ILE 121 3HD1 ILE 121 13.878 1.362 -17.343 908 H ALA 122 H ALA 122 11.264 6.306 -16.974 909 HA ALA 122 HA ALA 122 9.713 5.555 -19.236 910 1HB ALA 122 1HB ALA 122 7.560 6.377 -18.845 911 2HB ALA 122 2HB ALA 122 7.946 5.801 -17.219 912 3HB ALA 122 3HB ALA 122 8.157 7.527 -17.613 913 H HIS 123 H HIS 123 9.544 7.269 -20.748 914 HA HIS 123 HA HIS 123 11.534 9.381 -20.252 915 1HB HIS 123 1HB HIS 123 10.170 8.940 -22.936 916 2HB HIS 123 2HB HIS 123 11.759 9.581 -22.579 917 HD1 HIS 123 HD1 HIS 123 13.691 7.920 -22.836 918 HD2 HIS 123 HD2 HIS 123 9.910 6.110 -22.379 919 HE1 HIS 123 HE1 HIS 123 14.041 5.378 -23.169 920 HE2 HIS 123 HE2 HIS 123 11.729 4.290 -22.794 921 H THR 124 H THR 124 10.531 10.820 -18.978 922 HA THR 124 HA THR 124 7.952 12.000 -19.929 923 HB THR 124 HB THR 124 8.316 11.152 -17.546 924 HG1 THR 124 HG1 THR 124 7.074 13.059 -16.858 925 1HG2 THR 124 1HG2 THR 124 10.480 12.738 -17.438 926 2HG2 THR 124 2HG2 THR 124 9.285 13.908 -16.874 927 3HG2 THR 124 3HG2 THR 124 9.480 12.390 -15.979 928 H LYS 125 H LYS 125 9.958 12.564 -21.585 929 HA LYS 125 HA LYS 125 10.729 15.425 -20.936 930 1HB LYS 125 1HB LYS 125 12.680 14.014 -21.187 931 2HB LYS 125 2HB LYS 125 12.094 13.419 -22.753 932 1HG LYS 125 1HG LYS 125 12.167 15.786 -23.620 933 2HG LYS 125 2HG LYS 125 12.795 16.310 -22.057 934 1HD LYS 125 1HD LYS 125 14.833 15.958 -22.931 935 2HD LYS 125 2HD LYS 125 14.527 14.237 -22.764 936 1HE LYS 125 1HE LYS 125 14.286 13.900 -24.981 937 2HE LYS 125 2HE LYS 125 13.280 15.330 -25.205 938 1HZ LYS 125 1HZ LYS 125 15.672 15.242 -26.192 939 2HZ LYS 125 2HZ LYS 125 15.108 16.639 -25.532 940 3HZ LYS 125 3HZ LYS 125 16.141 15.654 -24.683 941 H GLU 126 H GLU 126 8.972 13.303 -23.069 942 HA GLU 126 HA GLU 126 7.461 15.411 -24.125 943 1HB GLU 126 1HB GLU 126 10.011 15.125 -25.437 944 2HB GLU 126 2HB GLU 126 8.844 14.434 -26.510 945 1HG GLU 126 1HG GLU 126 8.140 17.073 -25.199 946 2HG GLU 126 2HG GLU 126 9.408 17.083 -26.413 947 H ASN 127 H ASN 127 8.835 12.455 -25.514 948 HA ASN 127 HA ASN 127 6.340 10.978 -25.113 949 1HB ASN 127 1HB ASN 127 5.859 12.138 -27.237 950 2HB ASN 127 2HB ASN 127 7.435 11.668 -27.880 951 1HD2 ASN 127 1HD2 ASN 127 6.715 10.490 -29.613 952 2HD2 ASN 127 2HD2 ASN 127 5.833 8.967 -29.391 953 H GLN 128 H GLN 128 9.500 11.071 -26.742 954 HA GLN 128 HA GLN 128 10.330 8.660 -25.408 955 1HB GLN 128 1HB GLN 128 9.218 8.552 -28.147 956 2HB GLN 128 2HB GLN 128 10.876 8.000 -28.127 957 1HG GLN 128 1HG GLN 128 9.886 6.703 -25.884 958 2HG GLN 128 2HG GLN 128 8.466 6.775 -26.931 959 1HE2 GLN 128 1HE2 GLN 128 8.384 4.660 -27.570 960 2HE2 GLN 128 2HE2 GLN 128 9.748 3.871 -28.407 961 H GLY 129 H GLY 129 11.723 10.312 -24.587 962 1HA GLY 129 1HA GLY 129 14.059 10.814 -26.437 963 2HA GLY 129 2HA GLY 129 13.466 12.020 -25.290 964 H GLU 130 H GLU 130 14.244 11.966 -23.224 965 HA GLU 130 HA GLU 130 16.349 10.002 -22.675 966 1HB GLU 130 1HB GLU 130 15.590 12.696 -21.708 967 2HB GLU 130 2HB GLU 130 15.936 11.620 -20.388 968 1HG GLU 130 1HG GLU 130 18.073 12.408 -20.849 969 2HG GLU 130 2HG GLU 130 18.046 10.907 -21.768 970 H LEU 131 H LEU 131 16.403 8.572 -20.899 971 HA LEU 131 HA LEU 131 13.684 7.893 -19.890 972 1HB LEU 131 1HB LEU 131 15.117 6.255 -21.314 973 2HB LEU 131 2HB LEU 131 16.135 6.098 -19.901 974 HG LEU 131 HG LEU 131 14.414 5.056 -18.631 975 1HD1 LEU 131 1HD1 LEU 131 12.536 6.190 -18.751 976 2HD1 LEU 131 2HD1 LEU 131 12.508 6.310 -20.497 977 3HD1 LEU 131 3HD1 LEU 131 12.035 4.777 -19.715 978 1HD2 LEU 131 1HD2 LEU 131 15.216 3.414 -20.020 979 2HD2 LEU 131 2HD2 LEU 131 13.476 3.315 -20.407 980 3HD2 LEU 131 3HD2 LEU 131 14.599 4.114 -21.516 981 H LYS 132 H LYS 132 13.267 7.778 -17.762 982 HA LYS 132 HA LYS 132 15.452 8.063 -15.804 983 1HB LYS 132 1HB LYS 132 14.170 9.970 -14.761 984 2HB LYS 132 2HB LYS 132 15.122 10.353 -16.200 985 1HG LYS 132 1HG LYS 132 13.188 10.504 -17.611 986 2HG LYS 132 2HG LYS 132 12.166 9.683 -16.422 987 1HD LYS 132 1HD LYS 132 11.500 11.689 -15.820 988 2HD LYS 132 2HD LYS 132 12.984 11.809 -14.918 989 1HE LYS 132 1HE LYS 132 14.112 12.810 -16.941 990 2HE LYS 132 2HE LYS 132 12.560 12.823 -17.779 991 1HZ LYS 132 1HZ LYS 132 12.540 14.029 -15.158 992 2HZ LYS 132 2HZ LYS 132 13.434 14.846 -16.258 993 3HZ LYS 132 3HZ LYS 132 11.840 14.567 -16.541 994 H LEU 133 H LEU 133 14.409 8.124 -13.568 995 HA LEU 133 HA LEU 133 12.562 5.826 -13.504 996 1HB LEU 133 1HB LEU 133 14.773 6.187 -12.087 997 2HB LEU 133 2HB LEU 133 13.750 7.140 -11.053 998 HG LEU 133 HG LEU 133 12.186 4.970 -11.102 999 1HD1 LEU 133 1HD1 LEU 133 14.842 3.615 -11.449 1000 2HD1 LEU 133 2HD1 LEU 133 13.191 2.928 -11.683 1001 3HD1 LEU 133 3HD1 LEU 133 13.908 4.040 -12.868 1002 1HD2 LEU 133 1HD2 LEU 133 13.034 5.627 -9.088 1003 2HD2 LEU 133 2HD2 LEU 133 13.637 3.951 -9.266 1004 3HD2 LEU 133 3HD2 LEU 133 14.732 5.332 -9.555 1005 H CYS 134 H CYS 134 10.570 5.883 -12.420 1006 HA CYS 134 HA CYS 134 9.085 8.366 -12.601 1007 1HB CYS 134 1HB CYS 134 8.427 5.724 -11.233 1008 2HB CYS 134 2HB CYS 134 7.283 6.996 -11.533 1009 H SER 135 H SER 135 7.574 8.577 -10.426 1010 HA SER 135 HA SER 135 9.492 9.053 -8.147 1011 1HB SER 135 1HB SER 135 7.354 10.993 -9.053 1012 2HB SER 135 2HB SER 135 8.564 11.206 -7.762 1013 HG SER 135 HG SER 135 9.272 10.748 -10.479 1014 H HIS 136 H HIS 136 8.772 7.381 -6.930 1015 HA HIS 136 HA HIS 136 5.866 7.252 -6.270 1016 1HB HIS 136 1HB HIS 136 6.175 5.036 -5.625 1017 2HB HIS 136 2HB HIS 136 6.928 5.241 -7.187 1018 HD1 HIS 136 HD1 HIS 136 9.726 5.645 -6.984 1019 HD2 HIS 136 HD2 HIS 136 7.724 3.855 -3.796 1020 HE1 HIS 136 HE1 HIS 136 11.544 4.499 -5.550 1021 HE2 HIS 136 HE2 HIS 136 10.290 3.388 -3.596 Start of MODEL 12 1 1H ALA 1 H1 ALA 1 0.494 -0.558 -0.136 2 2H ALA 1 H2 ALA 1 1.023 0.965 0.245 3 3H ALA 1 H3 ALA 1 1.876 -0.345 0.759 4 HA ALA 1 HA ALA 1 2.187 1.061 -1.598 5 1HB ALA 1 1HB ALA 1 4.155 -0.248 -1.813 6 2HB ALA 1 2HB ALA 1 3.877 -0.178 -0.068 7 3HB ALA 1 3HB ALA 1 3.442 -1.650 -0.968 8 H VAL 2 H VAL 2 2.273 0.206 -3.800 9 HA VAL 2 HA VAL 2 -0.068 -0.763 -4.790 10 HB VAL 2 HB VAL 2 1.840 0.183 -6.057 11 1HG1 VAL 2 1HG1 VAL 2 3.867 -0.801 -6.247 12 2HG1 VAL 2 2HG1 VAL 2 3.405 -1.875 -4.944 13 3HG1 VAL 2 3HG1 VAL 2 3.140 -2.363 -6.611 14 1HG2 VAL 2 1HG2 VAL 2 0.650 -2.417 -7.021 15 2HG2 VAL 2 2HG2 VAL 2 -0.033 -0.811 -7.247 16 3HG2 VAL 2 3HG2 VAL 2 1.469 -1.218 -8.071 17 H THR 3 H THR 3 -1.223 -2.542 -4.538 18 HA THR 3 HA THR 3 0.015 -4.905 -3.288 19 HB THR 3 HB THR 3 -2.792 -3.984 -3.864 20 HG1 THR 3 HG1 THR 3 -2.703 -3.884 -1.682 21 1HG2 THR 3 1HG2 THR 3 -3.575 -6.087 -3.801 22 2HG2 THR 3 2HG2 THR 3 -1.957 -6.772 -3.729 23 3HG2 THR 3 3HG2 THR 3 -2.757 -6.334 -2.230 24 H TRP 4 H TRP 4 0.986 -6.440 -4.483 25 HA TRP 4 HA TRP 4 0.430 -6.637 -7.345 26 1HB TRP 4 1HB TRP 4 2.363 -8.118 -5.515 27 2HB TRP 4 2HB TRP 4 2.240 -8.233 -7.238 28 HD1 TRP 4 HD1 TRP 4 2.720 -5.294 -4.797 29 HE1 TRP 4 HE1 TRP 4 4.523 -3.714 -5.771 30 HE3 TRP 4 HE3 TRP 4 3.787 -7.828 -9.022 31 HZ2 TRP 4 HZ2 TRP 4 6.233 -3.598 -8.080 32 HZ3 TRP 4 HZ3 TRP 4 5.523 -7.045 -10.588 33 HH2 TRP 4 HH2 TRP 4 6.769 -4.937 -10.128 34 H THR 5 H THR 5 -0.643 -8.284 -8.315 35 HA THR 5 HA THR 5 -1.633 -10.491 -6.559 36 HB THR 5 HB THR 5 -3.200 -8.322 -7.818 37 HG1 THR 5 HG1 THR 5 -3.652 -10.404 -6.017 38 1HG2 THR 5 1HG2 THR 5 -3.815 -10.159 -9.426 39 2HG2 THR 5 2HG2 THR 5 -4.202 -11.198 -8.007 40 3HG2 THR 5 3HG2 THR 5 -5.132 -9.708 -8.344 41 H CYS 6 H CYS 6 -1.634 -12.404 -7.438 42 HA CYS 6 HA CYS 6 -0.923 -12.582 -10.355 43 1HB CYS 6 1HB CYS 6 0.325 -13.792 -7.951 44 2HB CYS 6 2HB CYS 6 -0.054 -14.917 -9.204 45 H GLY 7 H GLY 7 -3.428 -12.328 -10.174 46 1HA GLY 7 1HA GLY 7 -5.561 -13.300 -10.214 47 2HA GLY 7 2HA GLY 7 -4.714 -14.494 -11.233 48 H GLY 8 H GLY 8 -5.447 -13.695 -7.824 49 1HA GLY 8 1HA GLY 8 -6.511 -16.133 -7.054 50 2HA GLY 8 2HA GLY 8 -4.751 -16.342 -6.842 51 H LEU 9 H LEU 9 -3.619 -14.656 -5.522 52 HA LEU 9 HA LEU 9 -5.397 -13.441 -3.454 53 1HB LEU 9 1HB LEU 9 -2.854 -15.075 -3.083 54 2HB LEU 9 2HB LEU 9 -3.528 -14.045 -1.823 55 HG LEU 9 HG LEU 9 -5.305 -16.150 -3.092 56 1HD1 LEU 9 1HD1 LEU 9 -3.297 -16.645 -0.857 57 2HD1 LEU 9 2HD1 LEU 9 -4.579 -17.764 -1.395 58 3HD1 LEU 9 3HD1 LEU 9 -3.267 -17.337 -2.496 59 1HD2 LEU 9 1HD2 LEU 9 -5.348 -15.517 -0.168 60 2HD2 LEU 9 2HD2 LEU 9 -5.863 -14.212 -1.248 61 3HD2 LEU 9 3HD2 LEU 9 -6.678 -15.771 -1.315 62 H LEU 10 H LEU 10 -4.364 -11.737 -2.266 63 HA LEU 10 HA LEU 10 -2.890 -9.999 -4.131 64 1HB LEU 10 1HB LEU 10 -3.846 -9.155 -1.403 65 2HB LEU 10 2HB LEU 10 -3.614 -8.247 -2.867 66 HG LEU 10 HG LEU 10 -5.896 -8.226 -2.634 67 1HD1 LEU 10 1HD1 LEU 10 -6.829 -9.686 -4.484 68 2HD1 LEU 10 2HD1 LEU 10 -5.430 -8.683 -4.886 69 3HD1 LEU 10 3HD1 LEU 10 -5.283 -10.438 -4.632 70 1HD2 LEU 10 1HD2 LEU 10 -5.571 -10.515 -1.084 71 2HD2 LEU 10 2HD2 LEU 10 -7.092 -9.742 -1.516 72 3HD2 LEU 10 3HD2 LEU 10 -6.493 -11.110 -2.478 73 H TYR 11 H TYR 11 -1.085 -8.763 -3.413 74 HA TYR 11 HA TYR 11 0.538 -9.912 -1.210 75 1HB TYR 11 1HB TYR 11 1.338 -9.767 -4.151 76 2HB TYR 11 2HB TYR 11 2.405 -10.130 -2.837 77 HD1 TYR 11 HD1 TYR 11 0.622 -11.577 -5.426 78 HD2 TYR 11 HD2 TYR 11 1.334 -12.099 -1.195 79 HE1 TYR 11 HE1 TYR 11 0.015 -14.006 -5.599 80 HE2 TYR 11 HE2 TYR 11 0.747 -14.491 -1.386 81 HH TYR 11 HH TYR 11 0.248 -16.148 -2.762 82 H ASN 12 H ASN 12 0.223 -7.908 -0.182 83 HA ASN 12 HA ASN 12 0.687 -5.371 -1.379 84 1HB ASN 12 1HB ASN 12 0.132 -6.341 1.253 85 2HB ASN 12 2HB ASN 12 1.667 -5.501 1.397 86 1HD2 ASN 12 1HD2 ASN 12 1.758 -3.339 0.212 87 2HD2 ASN 12 2HD2 ASN 12 0.222 -2.436 0.349 88 H GLN 13 H GLN 13 2.495 -4.620 -2.373 89 HA GLN 13 HA GLN 13 4.873 -5.950 -2.190 90 1HB GLN 13 1HB GLN 13 4.245 -4.077 -3.793 91 2HB GLN 13 2HB GLN 13 4.626 -2.918 -2.572 92 1HG GLN 13 1HG GLN 13 6.450 -3.379 -4.370 93 2HG GLN 13 2HG GLN 13 6.976 -3.428 -2.671 94 1HE2 GLN 13 1HE2 GLN 13 5.149 -5.837 -4.635 95 2HE2 GLN 13 2HE2 GLN 13 6.365 -7.087 -4.359 96 H ASN 14 H ASN 14 3.589 -4.051 0.179 97 HA ASN 14 HA ASN 14 6.021 -3.217 1.527 98 1HB ASN 14 1HB ASN 14 3.152 -2.825 1.881 99 2HB ASN 14 2HB ASN 14 3.706 -3.690 3.298 100 1HD2 ASN 14 1HD2 ASN 14 5.295 -1.287 1.206 101 2HD2 ASN 14 2HD2 ASN 14 5.598 -0.170 2.516 102 H LYS 15 H LYS 15 4.308 -6.178 1.244 103 HA LYS 15 HA LYS 15 5.769 -7.415 3.497 104 1HB LYS 15 1HB LYS 15 3.105 -7.880 2.233 105 2HB LYS 15 2HB LYS 15 4.009 -9.321 2.720 106 1HG LYS 15 1HG LYS 15 4.025 -8.768 4.972 107 2HG LYS 15 2HG LYS 15 3.920 -7.037 4.700 108 1HD LYS 15 1HD LYS 15 1.517 -7.525 3.720 109 2HD LYS 15 2HD LYS 15 1.677 -9.041 4.515 110 1HE LYS 15 1HE LYS 15 0.866 -7.979 6.367 111 2HE LYS 15 2HE LYS 15 2.495 -7.309 6.544 112 1HZ LYS 15 1HZ LYS 15 1.785 -5.299 5.815 113 2HZ LYS 15 2HZ LYS 15 0.763 -5.939 4.677 114 3HZ LYS 15 3HZ LYS 15 0.276 -5.840 6.235 115 H ALA 16 H ALA 16 5.205 -7.491 -0.040 116 HA ALA 16 HA ALA 16 6.561 -9.859 -0.660 117 1HB ALA 16 1HB ALA 16 5.378 -8.587 -2.306 118 2HB ALA 16 2HB ALA 16 6.500 -7.255 -1.973 119 3HB ALA 16 3HB ALA 16 7.122 -8.710 -2.764 120 H GLU 17 H GLU 17 8.127 -6.639 -0.816 121 HA GLU 17 HA GLU 17 10.737 -7.708 -0.793 122 1HB GLU 17 1HB GLU 17 11.488 -5.468 -0.401 123 2HB GLU 17 2HB GLU 17 10.129 -5.453 -1.551 124 1HG GLU 17 1HG GLU 17 8.630 -4.899 0.455 125 2HG GLU 17 2HG GLU 17 10.068 -4.734 1.410 126 H SER 18 H SER 18 8.701 -6.422 1.854 127 HA SER 18 HA SER 18 10.537 -6.564 3.950 128 1HB SER 18 1HB SER 18 8.306 -5.626 4.161 129 2HB SER 18 2HB SER 18 7.623 -7.286 4.124 130 HG SER 18 HG SER 18 7.854 -6.456 6.225 131 H ASN 19 H ASN 19 8.349 -9.157 2.777 132 HA ASN 19 HA ASN 19 9.039 -11.198 4.545 133 1HB ASN 19 1HB ASN 19 7.271 -11.195 2.628 134 2HB ASN 19 2HB ASN 19 8.657 -11.665 1.617 135 1HD2 ASN 19 1HD2 ASN 19 7.398 -12.405 4.910 136 2HD2 ASN 19 2HD2 ASN 19 7.484 -14.166 4.616 137 H SER 20 H SER 20 10.823 -9.851 1.873 138 HA SER 20 HA SER 20 12.870 -11.941 1.954 139 1HB SER 20 1HB SER 20 13.537 -11.174 -0.012 140 2HB SER 20 2HB SER 20 11.938 -10.433 -0.090 141 HG SER 20 HG SER 20 12.788 -8.572 -0.028 142 H HIS 21 H HIS 21 12.282 -8.736 3.170 143 HA HIS 21 HA HIS 21 14.929 -7.848 3.743 144 1HB HIS 21 1HB HIS 21 12.263 -7.232 5.139 145 2HB HIS 21 2HB HIS 21 13.749 -6.569 5.656 146 HD1 HIS 21 HD1 HIS 21 12.799 -4.169 5.060 147 HD2 HIS 21 HD2 HIS 21 13.328 -6.822 1.825 148 HE1 HIS 21 HE1 HIS 21 12.636 -2.737 2.899 149 HE2 HIS 21 HE2 HIS 21 12.929 -4.370 0.929 150 H HIS 22 H HIS 22 12.741 -10.089 5.544 151 HA HIS 22 HA HIS 22 14.637 -10.348 7.679 152 1HB HIS 22 1HB HIS 22 12.542 -12.352 7.543 153 2HB HIS 22 2HB HIS 22 12.887 -11.185 8.792 154 HD1 HIS 22 HD1 HIS 22 10.157 -12.224 7.156 155 HD2 HIS 22 HD2 HIS 22 11.977 -8.470 7.452 156 HE1 HIS 22 HE1 HIS 22 8.322 -10.503 6.545 157 HE2 HIS 22 HE2 HIS 22 9.468 -8.168 6.735 158 H ALA 23 H ALA 23 13.316 -12.405 5.024 159 HA ALA 23 HA ALA 23 14.624 -14.669 5.383 160 1HB ALA 23 1HB ALA 23 14.206 -15.147 3.245 161 2HB ALA 23 2HB ALA 23 13.176 -13.715 3.378 162 3HB ALA 23 3HB ALA 23 14.772 -13.606 2.601 163 HA PRO 24 HA PRO 24 18.912 -13.647 5.346 164 1HB PRO 24 1HB PRO 24 19.983 -16.222 5.002 165 2HB PRO 24 2HB PRO 24 19.425 -15.497 6.555 166 1HG PRO 24 1HG PRO 24 18.198 -17.473 4.828 167 2HG PRO 24 2HG PRO 24 17.874 -17.207 6.590 168 1HD PRO 24 1HD PRO 24 16.227 -16.462 4.388 169 2HD PRO 24 2HD PRO 24 16.064 -15.982 6.087 170 H LEU 25 H LEU 25 19.931 -12.714 3.750 171 HA LEU 25 HA LEU 25 19.416 -13.212 1.054 172 1HB LEU 25 1HB LEU 25 20.521 -11.139 2.386 173 2HB LEU 25 2HB LEU 25 22.006 -11.923 1.831 174 HG LEU 25 HG LEU 25 21.457 -11.627 -0.437 175 1HD1 LEU 25 1HD1 LEU 25 19.320 -12.141 -0.704 176 2HD1 LEU 25 2HD1 LEU 25 18.676 -11.067 0.530 177 3HD1 LEU 25 3HD1 LEU 25 19.252 -10.462 -1.078 178 1HD2 LEU 25 1HD2 LEU 25 20.988 -9.111 -0.553 179 2HD2 LEU 25 2HD2 LEU 25 20.785 -9.172 1.226 180 3HD2 LEU 25 3HD2 LEU 25 22.331 -9.601 0.466 181 H SER 26 H SER 26 19.753 -15.081 0.074 182 HA SER 26 HA SER 26 22.329 -16.013 -0.478 183 1HB SER 26 1HB SER 26 21.433 -16.845 2.116 184 2HB SER 26 2HB SER 26 21.383 -18.254 1.063 185 HG SER 26 HG SER 26 23.577 -16.479 1.227 186 H ASP 27 H ASP 27 22.051 -18.546 -1.150 187 HA ASP 27 HA ASP 27 19.533 -18.741 -2.783 188 1HB ASP 27 1HB ASP 27 21.237 -18.558 -4.374 189 2HB ASP 27 2HB ASP 27 22.363 -19.364 -3.314 190 H GLY 28 H GLY 28 18.555 -19.737 -0.892 191 1HA GLY 28 1HA GLY 28 17.743 -21.644 0.071 192 2HA GLY 28 2HA GLY 28 18.668 -22.594 -1.093 193 H LYS 29 H LYS 29 18.669 -20.928 2.007 194 HA LYS 29 HA LYS 29 20.578 -22.855 3.076 195 1HB LYS 29 1HB LYS 29 21.439 -20.087 2.342 196 2HB LYS 29 2HB LYS 29 21.908 -20.574 3.954 197 1HG LYS 29 1HG LYS 29 22.622 -22.854 2.586 198 2HG LYS 29 2HG LYS 29 22.818 -21.630 1.327 199 1HD LYS 29 1HD LYS 29 24.907 -21.572 2.335 200 2HD LYS 29 2HD LYS 29 24.071 -20.307 3.260 201 1HE LYS 29 1HE LYS 29 23.404 -22.241 4.895 202 2HE LYS 29 2HE LYS 29 24.631 -23.205 4.055 203 1HZ LYS 29 1HZ LYS 29 25.393 -21.931 6.081 204 2HZ LYS 29 2HZ LYS 29 26.302 -21.674 4.720 205 3HZ LYS 29 3HZ LYS 29 25.206 -20.551 5.213 206 H THR 30 H THR 30 17.923 -22.487 3.572 207 HA THR 30 HA THR 30 18.009 -21.474 6.394 208 HB THR 30 HB THR 30 15.878 -20.556 6.065 209 HG1 THR 30 HG1 THR 30 14.728 -20.991 4.258 210 1HG2 THR 30 1HG2 THR 30 17.975 -19.527 4.685 211 2HG2 THR 30 2HG2 THR 30 16.821 -19.717 3.378 212 3HG2 THR 30 3HG2 THR 30 16.369 -18.786 4.824 213 H GLY 31 H GLY 31 16.717 -22.609 7.858 214 1HA GLY 31 1HA GLY 31 16.814 -25.338 7.879 215 2HA GLY 31 2HA GLY 31 15.506 -24.447 8.641 216 H SER 32 H SER 32 14.114 -23.413 6.545 217 HA SER 32 HA SER 32 12.669 -25.777 5.643 218 1HB SER 32 1HB SER 32 12.094 -23.033 6.026 219 2HB SER 32 2HB SER 32 11.867 -23.289 4.279 220 HG SER 32 HG SER 32 9.991 -23.768 5.170 221 H SER 33 H SER 33 13.897 -23.014 3.710 222 HA SER 33 HA SER 33 15.582 -24.382 2.027 223 1HB SER 33 1HB SER 33 14.240 -24.702 -0.027 224 2HB SER 33 2HB SER 33 13.603 -25.710 1.262 225 HG SER 33 HG SER 33 11.778 -24.807 0.840 226 H TYR 34 H TYR 34 12.864 -22.250 1.286 227 HA TYR 34 HA TYR 34 14.217 -20.477 -0.227 228 1HB TYR 34 1HB TYR 34 11.808 -19.949 1.538 229 2HB TYR 34 2HB TYR 34 12.291 -18.960 0.184 230 HD1 TYR 34 HD1 TYR 34 10.647 -22.038 1.225 231 HD2 TYR 34 HD2 TYR 34 12.147 -19.829 -2.175 232 HE1 TYR 34 HE1 TYR 34 9.328 -23.504 -0.292 233 HE2 TYR 34 HE2 TYR 34 10.877 -21.376 -3.613 234 HH TYR 34 HH TYR 34 9.791 -23.613 -3.627 235 HA PRO 35 HA PRO 35 14.003 -18.221 -0.681 236 1HB PRO 35 1HB PRO 35 16.106 -16.610 -1.166 237 2HB PRO 35 2HB PRO 35 14.505 -16.034 -0.562 238 1HG PRO 35 1HG PRO 35 17.124 -16.153 0.757 239 2HG PRO 35 2HG PRO 35 15.634 -15.291 1.284 240 1HD PRO 35 1HD PRO 35 16.700 -17.764 2.294 241 2HD PRO 35 2HD PRO 35 15.141 -17.009 2.740 242 H HIS 36 H HIS 36 15.074 -18.510 -2.754 243 HA HIS 36 HA HIS 36 17.571 -20.080 -2.701 244 1HB HIS 36 1HB HIS 36 16.669 -21.944 -3.927 245 2HB HIS 36 2HB HIS 36 15.862 -21.787 -2.359 246 HD1 HIS 36 HD1 HIS 36 14.333 -23.452 -4.219 247 HD2 HIS 36 HD2 HIS 36 14.138 -19.267 -4.286 248 HE1 HIS 36 HE1 HIS 36 12.095 -22.839 -5.426 249 HE2 HIS 36 HE2 HIS 36 12.148 -20.212 -5.560 250 H TRP 37 H TRP 37 18.401 -20.462 -4.887 251 HA TRP 37 HA TRP 37 18.447 -18.015 -6.336 252 1HB TRP 37 1HB TRP 37 20.267 -19.531 -6.502 253 2HB TRP 37 2HB TRP 37 19.255 -20.853 -7.055 254 HD1 TRP 37 HD1 TRP 37 19.608 -17.256 -8.497 255 HE1 TRP 37 HE1 TRP 37 20.146 -17.416 -10.960 256 HE3 TRP 37 HE3 TRP 37 20.045 -22.284 -8.794 257 HZ2 TRP 37 HZ2 TRP 37 20.785 -19.475 -12.853 258 HZ3 TRP 37 HZ3 TRP 37 20.674 -23.363 -10.968 259 HH2 TRP 37 HH2 TRP 37 20.956 -21.933 -12.955 260 H PHE 38 H PHE 38 17.598 -17.577 -8.364 261 HA PHE 38 HA PHE 38 15.124 -18.997 -9.142 262 1HB PHE 38 1HB PHE 38 14.708 -16.769 -7.936 263 2HB PHE 38 2HB PHE 38 15.742 -16.007 -9.056 264 HD1 PHE 38 HD1 PHE 38 13.088 -18.603 -9.674 265 HD2 PHE 38 HD2 PHE 38 14.494 -14.590 -10.331 266 HE1 PHE 38 HE1 PHE 38 11.208 -18.200 -11.216 267 HE2 PHE 38 HE2 PHE 38 12.579 -14.202 -11.882 268 HZ PHE 38 HZ PHE 38 10.971 -15.955 -12.314 269 H THR 39 H THR 39 16.755 -20.069 -10.522 270 HA THR 39 HA THR 39 18.309 -19.132 -12.533 271 HB THR 39 HB THR 39 17.454 -21.054 -13.902 272 HG1 THR 39 HG1 THR 39 15.553 -21.144 -11.871 273 1HG2 THR 39 1HG2 THR 39 17.133 -22.535 -11.418 274 2HG2 THR 39 2HG2 THR 39 18.512 -22.451 -12.515 275 3HG2 THR 39 3HG2 THR 39 18.290 -21.268 -11.197 276 H ASN 40 H ASN 40 14.788 -18.794 -12.403 277 HA ASN 40 HA ASN 40 13.324 -17.579 -13.696 278 1HB ASN 40 1HB ASN 40 14.717 -15.716 -12.787 279 2HB ASN 40 2HB ASN 40 15.811 -15.866 -14.125 280 1HD2 ASN 40 1HD2 ASN 40 15.530 -14.079 -15.238 281 2HD2 ASN 40 2HD2 ASN 40 13.981 -13.496 -15.897 282 H GLY 41 H GLY 41 15.196 -19.669 -14.935 283 1HA GLY 41 1HA GLY 41 14.605 -20.596 -17.151 284 2HA GLY 41 2HA GLY 41 14.756 -18.951 -17.749 285 H TYR 42 H TYR 42 17.180 -18.245 -16.248 286 HA TYR 42 HA TYR 42 19.218 -18.957 -17.991 287 1HB TYR 42 1HB TYR 42 19.287 -18.195 -15.047 288 2HB TYR 42 2HB TYR 42 20.697 -18.260 -16.022 289 HD1 TYR 42 HD1 TYR 42 20.596 -16.905 -18.204 290 HD2 TYR 42 HD2 TYR 42 18.112 -16.046 -14.862 291 HE1 TYR 42 HE1 TYR 42 20.336 -14.473 -18.989 292 HE2 TYR 42 HE2 TYR 42 17.769 -13.739 -15.661 293 HH TYR 42 HH TYR 42 18.603 -12.107 -17.174 294 H ASP 43 H ASP 43 21.077 -20.300 -17.739 295 HA ASP 43 HA ASP 43 20.350 -22.944 -16.624 296 1HB ASP 43 1HB ASP 43 22.289 -21.819 -18.545 297 2HB ASP 43 2HB ASP 43 23.079 -22.904 -17.418 298 H GLY 44 H GLY 44 22.572 -20.313 -15.940 299 1HA GLY 44 1HA GLY 44 22.842 -20.911 -13.160 300 2HA GLY 44 2HA GLY 44 24.259 -21.493 -14.026 301 H ASP 45 H ASP 45 25.006 -19.722 -15.724 302 HA ASP 45 HA ASP 45 25.115 -17.085 -14.289 303 1HB ASP 45 1HB ASP 45 27.226 -18.926 -15.235 304 2HB ASP 45 2HB ASP 45 27.329 -17.361 -16.038 305 H GLY 46 H GLY 46 26.031 -18.352 -17.471 306 1HA GLY 46 1HA GLY 46 25.482 -16.016 -18.934 307 2HA GLY 46 2HA GLY 46 25.560 -17.671 -19.624 308 H LYS 47 H LYS 47 23.892 -16.546 -21.004 309 HA LYS 47 HA LYS 47 21.290 -16.047 -19.964 310 1HB LYS 47 1HB LYS 47 22.570 -16.244 -22.610 311 2HB LYS 47 2HB LYS 47 20.956 -16.838 -22.653 312 1HG LYS 47 1HG LYS 47 21.214 -14.258 -21.110 313 2HG LYS 47 2HG LYS 47 21.727 -14.154 -22.776 314 1HD LYS 47 1HD LYS 47 19.257 -15.645 -22.703 315 2HD LYS 47 2HD LYS 47 19.042 -14.196 -21.709 316 1HE LYS 47 1HE LYS 47 19.234 -12.802 -23.508 317 2HE LYS 47 2HE LYS 47 20.410 -13.839 -24.343 318 1HZ LYS 47 1HZ LYS 47 17.952 -13.679 -25.193 319 2HZ LYS 47 2HZ LYS 47 18.775 -15.102 -25.277 320 3HZ LYS 47 3HZ LYS 47 17.690 -14.852 -24.066 321 H LEU 48 H LEU 48 19.518 -17.493 -21.407 322 HA LEU 48 HA LEU 48 19.494 -19.924 -19.758 323 1HB LEU 48 1HB LEU 48 17.237 -19.483 -21.613 324 2HB LEU 48 2HB LEU 48 17.299 -19.855 -19.935 325 HG LEU 48 HG LEU 48 18.031 -17.300 -19.625 326 1HD1 LEU 48 1HD1 LEU 48 16.142 -16.801 -21.872 327 2HD1 LEU 48 2HD1 LEU 48 17.612 -15.969 -21.347 328 3HD1 LEU 48 3HD1 LEU 48 17.685 -17.427 -22.407 329 1HD2 LEU 48 1HD2 LEU 48 16.228 -17.504 -18.482 330 2HD2 LEU 48 2HD2 LEU 48 15.330 -16.993 -19.858 331 3HD2 LEU 48 3HD2 LEU 48 15.483 -18.681 -19.609 332 HA PRO 49 HA PRO 49 20.604 -22.674 -22.910 333 1HB PRO 49 1HB PRO 49 18.862 -24.847 -22.476 334 2HB PRO 49 2HB PRO 49 20.338 -24.470 -21.541 335 1HG PRO 49 1HG PRO 49 17.490 -24.130 -20.751 336 2HG PRO 49 2HG PRO 49 18.947 -24.247 -19.723 337 1HD PRO 49 1HD PRO 49 17.530 -21.899 -20.470 338 2HD PRO 49 2HD PRO 49 19.027 -21.990 -19.525 339 H LYS 50 H LYS 50 19.950 -23.688 -24.880 340 HA LYS 50 HA LYS 50 18.237 -22.178 -26.509 341 1HB LYS 50 1HB LYS 50 19.725 -23.313 -27.739 342 2HB LYS 50 2HB LYS 50 19.613 -24.801 -26.795 343 1HG LYS 50 1HG LYS 50 17.637 -25.520 -27.880 344 2HG LYS 50 2HG LYS 50 17.256 -23.897 -28.471 345 1HD LYS 50 1HD LYS 50 18.079 -24.549 -30.389 346 2HD LYS 50 2HD LYS 50 19.706 -24.445 -29.674 347 1HE LYS 50 1HE LYS 50 19.768 -26.766 -29.149 348 2HE LYS 50 2HE LYS 50 18.016 -26.944 -29.316 349 1HZ LYS 50 1HZ LYS 50 18.414 -27.561 -31.404 350 2HZ LYS 50 2HZ LYS 50 18.828 -26.009 -31.741 351 3HZ LYS 50 3HZ LYS 50 20.000 -27.100 -31.359 352 H GLY 51 H GLY 51 16.307 -21.825 -25.565 353 1HA GLY 51 1HA GLY 51 13.899 -22.502 -26.047 354 2HA GLY 51 2HA GLY 51 14.378 -24.129 -25.473 355 H ARG 52 H ARG 52 13.750 -20.798 -24.505 356 HA ARG 52 HA ARG 52 12.685 -21.625 -22.034 357 1HB ARG 52 1HB ARG 52 15.567 -20.926 -22.076 358 2HB ARG 52 2HB ARG 52 14.658 -19.840 -21.060 359 1HG ARG 52 1HG ARG 52 14.538 -22.884 -20.788 360 2HG ARG 52 2HG ARG 52 15.547 -21.843 -19.834 361 1HD ARG 52 1HD ARG 52 13.810 -21.912 -18.417 362 2HD ARG 52 2HD ARG 52 13.193 -20.588 -19.432 363 HE ARG 52 HE ARG 52 12.442 -23.218 -20.414 364 1HH1 ARG 52 2HH2 ARG 52 11.609 -20.870 -18.018 365 2HH1 ARG 52 1HH2 ARG 52 9.949 -21.378 -17.878 366 1HH2 ARG 52 2HH1 ARG 52 10.322 -23.889 -20.246 367 2HH2 ARG 52 1HH1 ARG 52 9.242 -23.114 -19.146 368 H THR 53 H THR 53 11.915 -19.807 -20.728 369 HA THR 53 HA THR 53 11.688 -17.284 -22.281 370 HB THR 53 HB THR 53 9.368 -18.867 -21.241 371 HG1 THR 53 HG1 THR 53 10.375 -18.088 -23.763 372 1HG2 THR 53 1HG2 THR 53 9.669 -16.063 -22.395 373 2HG2 THR 53 2HG2 THR 53 8.199 -17.029 -22.675 374 3HG2 THR 53 3HG2 THR 53 8.667 -16.604 -21.018 375 HA PRO 54 HA PRO 54 12.733 -16.227 -18.018 376 1HB PRO 54 1HB PRO 54 14.013 -13.806 -18.660 377 2HB PRO 54 2HB PRO 54 14.787 -15.394 -18.547 378 1HG PRO 54 1HG PRO 54 14.076 -13.809 -20.987 379 2HG PRO 54 2HG PRO 54 15.276 -15.085 -20.807 380 1HD PRO 54 1HD PRO 54 12.646 -15.295 -21.920 381 2HD PRO 54 2HD PRO 54 13.777 -16.644 -21.635 382 H ILE 55 H ILE 55 11.798 -14.829 -16.583 383 HA ILE 55 HA ILE 55 9.352 -13.590 -17.515 384 HB ILE 55 HB ILE 55 10.603 -13.444 -14.737 385 1HG1 ILE 55 1HG1 ILE 55 8.937 -15.642 -16.109 386 2HG1 ILE 55 2HG1 ILE 55 10.473 -15.803 -15.267 387 1HG2 ILE 55 1HG2 ILE 55 7.732 -13.199 -15.779 388 2HG2 ILE 55 2HG2 ILE 55 8.232 -13.119 -14.098 389 3HG2 ILE 55 3HG2 ILE 55 8.796 -11.874 -15.183 390 1HD1 ILE 55 1HD1 ILE 55 9.325 -14.995 -13.235 391 2HD1 ILE 55 2HD1 ILE 55 7.777 -15.346 -14.045 392 3HD1 ILE 55 3HD1 ILE 55 8.962 -16.651 -13.733 393 H LYS 56 H LYS 56 9.156 -11.613 -18.261 394 HA LYS 56 HA LYS 56 11.447 -9.748 -18.081 395 1HB LYS 56 1HB LYS 56 10.338 -10.024 -20.228 396 2HB LYS 56 2HB LYS 56 8.762 -9.615 -19.549 397 1HG LYS 56 1HG LYS 56 9.265 -7.502 -20.321 398 2HG LYS 56 2HG LYS 56 10.140 -7.345 -18.832 399 1HD LYS 56 1HD LYS 56 11.750 -6.680 -20.326 400 2HD LYS 56 2HD LYS 56 12.175 -8.389 -20.093 401 1HE LYS 56 1HE LYS 56 10.712 -8.906 -22.141 402 2HE LYS 56 2HE LYS 56 10.547 -7.158 -22.367 403 1HZ LYS 56 1HZ LYS 56 12.421 -7.459 -23.595 404 2HZ LYS 56 2HZ LYS 56 13.208 -7.425 -22.148 405 3HZ LYS 56 3HZ LYS 56 12.860 -8.857 -22.841 406 H PHE 57 H PHE 57 11.569 -8.111 -16.790 407 HA PHE 57 HA PHE 57 9.283 -7.417 -14.979 408 1HB PHE 57 1HB PHE 57 12.255 -6.923 -14.562 409 2HB PHE 57 2HB PHE 57 10.966 -6.810 -13.366 410 HD1 PHE 57 HD1 PHE 57 13.377 -8.983 -15.100 411 HD2 PHE 57 HD2 PHE 57 9.901 -8.926 -12.560 412 HE1 PHE 57 HE1 PHE 57 13.807 -11.334 -14.448 413 HE2 PHE 57 HE2 PHE 57 10.408 -11.342 -11.902 414 HZ PHE 57 HZ PHE 57 12.261 -12.488 -12.912 415 H GLY 58 H GLY 58 12.115 -5.969 -16.570 416 1HA GLY 58 1HA GLY 58 11.600 -3.972 -18.059 417 2HA GLY 58 2HA GLY 58 10.675 -3.345 -16.674 418 H LYS 59 H LYS 59 13.212 -4.966 -15.311 419 HA LYS 59 HA LYS 59 14.859 -2.475 -15.135 420 1HB LYS 59 1HB LYS 59 14.165 -4.710 -13.193 421 2HB LYS 59 2HB LYS 59 15.715 -3.851 -13.017 422 1HG LYS 59 1HG LYS 59 14.675 -1.738 -12.758 423 2HG LYS 59 2HG LYS 59 13.095 -2.319 -13.293 424 1HD LYS 59 1HD LYS 59 12.519 -3.126 -11.286 425 2HD LYS 59 2HD LYS 59 14.103 -3.845 -10.966 426 1HE LYS 59 1HE LYS 59 15.023 -1.879 -10.102 427 2HE LYS 59 2HE LYS 59 13.805 -0.840 -10.855 428 1HZ LYS 59 1HZ LYS 59 12.149 -1.763 -9.357 429 2HZ LYS 59 2HZ LYS 59 13.230 -2.769 -8.666 430 3HZ LYS 59 3HZ LYS 59 13.383 -1.124 -8.479 431 H SER 60 H SER 60 16.804 -2.408 -15.821 432 HA SER 60 HA SER 60 17.808 -4.546 -17.470 433 1HB SER 60 1HB SER 60 18.438 -2.324 -18.037 434 2HB SER 60 2HB SER 60 19.067 -2.006 -16.402 435 HG SER 60 HG SER 60 20.257 -4.149 -17.575 436 H ASP 61 H ASP 61 17.791 -4.096 -14.077 437 HA ASP 61 HA ASP 61 20.259 -5.552 -13.536 438 1HB ASP 61 1HB ASP 61 18.055 -4.949 -11.551 439 2HB ASP 61 2HB ASP 61 19.780 -5.184 -11.269 440 H CYS 62 H CYS 62 16.721 -6.034 -13.292 441 HA CYS 62 HA CYS 62 16.993 -8.824 -12.433 442 1HB CYS 62 1HB CYS 62 14.555 -7.188 -13.286 443 2HB CYS 62 2HB CYS 62 14.560 -8.847 -12.677 444 H ASP 63 H ASP 63 17.290 -7.164 -15.332 445 HA ASP 63 HA ASP 63 16.338 -9.387 -17.046 446 1HB ASP 63 1HB ASP 63 15.754 -7.152 -17.793 447 2HB ASP 63 2HB ASP 63 17.440 -6.618 -17.600 448 H ARG 64 H ARG 64 19.322 -7.551 -16.133 449 HA ARG 64 HA ARG 64 21.071 -8.719 -17.843 450 1HB ARG 64 1HB ARG 64 22.579 -7.599 -16.590 451 2HB ARG 64 2HB ARG 64 21.254 -7.174 -15.539 452 1HG ARG 64 1HG ARG 64 21.619 -9.110 -14.094 453 2HG ARG 64 2HG ARG 64 23.016 -9.553 -15.093 454 1HD ARG 64 1HD ARG 64 23.501 -8.348 -12.993 455 2HD ARG 64 2HD ARG 64 24.344 -7.937 -14.517 456 HE ARG 64 HE ARG 64 21.934 -6.407 -13.860 457 1HH1 ARG 64 2HH2 ARG 64 25.355 -6.508 -13.727 458 2HH1 ARG 64 1HH2 ARG 64 25.553 -4.774 -13.518 459 1HH2 ARG 64 2HH1 ARG 64 22.132 -4.172 -13.557 460 2HH2 ARG 64 1HH1 ARG 64 23.686 -3.473 -13.445 461 HA PRO 65 HA PRO 65 21.467 -12.896 -16.809 462 1HB PRO 65 1HB PRO 65 24.178 -13.424 -17.248 463 2HB PRO 65 2HB PRO 65 22.859 -13.330 -18.466 464 1HG PRO 65 1HG PRO 65 25.007 -11.347 -17.879 465 2HG PRO 65 2HG PRO 65 24.004 -11.545 -19.363 466 1HD PRO 65 1HD PRO 65 23.680 -9.639 -17.255 467 2HD PRO 65 2HD PRO 65 22.633 -9.877 -18.679 468 HA PRO 66 HA PRO 66 22.858 -12.862 -12.535 469 1HB PRO 66 1HB PRO 66 22.179 -15.513 -11.922 470 2HB PRO 66 2HB PRO 66 21.041 -14.115 -11.960 471 1HG PRO 66 1HG PRO 66 21.275 -16.355 -13.887 472 2HG PRO 66 2HG PRO 66 19.913 -15.220 -13.557 473 1HD PRO 66 1HD PRO 66 21.821 -15.108 -15.709 474 2HD PRO 66 2HD PRO 66 20.552 -13.923 -15.274 475 H LYS 67 H LYS 67 24.238 -14.219 -11.073 476 HA LYS 67 HA LYS 67 26.357 -15.575 -12.650 477 1HB LYS 67 1HB LYS 67 27.142 -13.357 -12.265 478 2HB LYS 67 2HB LYS 67 26.786 -13.482 -10.566 479 1HG LYS 67 1HG LYS 67 28.960 -14.175 -10.304 480 2HG LYS 67 2HG LYS 67 28.475 -15.720 -11.006 481 1HD LYS 67 1HD LYS 67 28.864 -14.350 -13.252 482 2HD LYS 67 2HD LYS 67 30.013 -13.508 -12.212 483 1HE LYS 67 1HE LYS 67 31.156 -15.614 -11.639 484 2HE LYS 67 2HE LYS 67 29.836 -16.553 -12.367 485 1HZ LYS 67 1HZ LYS 67 31.698 -14.856 -13.903 486 2HZ LYS 67 2HZ LYS 67 31.529 -16.518 -13.961 487 3HZ LYS 67 3HZ LYS 67 30.293 -15.610 -14.455 488 H HIS 68 H HIS 68 24.652 -17.292 -11.835 489 HA HIS 68 HA HIS 68 25.120 -17.951 -8.923 490 1HB HIS 68 1HB HIS 68 22.833 -18.097 -9.874 491 2HB HIS 68 2HB HIS 68 23.374 -19.311 -11.021 492 HD1 HIS 68 HD1 HIS 68 24.297 -21.634 -10.065 493 HD2 HIS 68 HD2 HIS 68 22.178 -19.076 -7.471 494 HE1 HIS 68 HE1 HIS 68 23.564 -23.081 -8.015 495 HE2 HIS 68 HE2 HIS 68 22.241 -21.478 -6.505 496 H SER 69 H SER 69 25.774 -20.145 -8.369 497 HA SER 69 HA SER 69 26.981 -21.937 -10.192 498 1HB SER 69 1HB SER 69 28.623 -19.647 -9.689 499 2HB SER 69 2HB SER 69 29.360 -20.996 -8.846 500 HG SER 69 HG SER 69 28.415 -21.315 -11.473 501 H LYS 70 H LYS 70 29.039 -22.903 -8.586 502 HA LYS 70 HA LYS 70 27.467 -24.179 -6.456 503 1HB LYS 70 1HB LYS 70 29.864 -24.800 -8.031 504 2HB LYS 70 2HB LYS 70 30.293 -24.926 -6.378 505 1HG LYS 70 1HG LYS 70 29.441 -26.957 -6.393 506 2HG LYS 70 2HG LYS 70 27.870 -26.215 -6.226 507 1HD LYS 70 1HD LYS 70 27.258 -26.567 -8.423 508 2HD LYS 70 2HD LYS 70 28.893 -26.411 -9.061 509 1HE LYS 70 1HE LYS 70 28.002 -28.781 -7.388 510 2HE LYS 70 2HE LYS 70 27.948 -28.745 -9.166 511 1HZ LYS 70 1HZ LYS 70 30.338 -28.329 -9.172 512 2HZ LYS 70 2HZ LYS 70 30.399 -28.345 -7.537 513 3HZ LYS 70 3HZ LYS 70 30.034 -29.729 -8.350 514 H ASP 71 H ASP 71 27.267 -21.729 -5.815 515 HA ASP 71 HA ASP 71 28.374 -21.565 -3.205 516 1HB ASP 71 1HB ASP 71 29.852 -20.174 -5.441 517 2HB ASP 71 2HB ASP 71 29.662 -19.265 -3.952 518 H GLY 72 H GLY 72 25.915 -21.434 -3.478 519 1HA GLY 72 1HA GLY 72 24.122 -19.906 -4.303 520 2HA GLY 72 2HA GLY 72 24.390 -19.736 -2.538 521 H ASN 73 H ASN 73 26.222 -18.106 -2.088 522 HA ASN 73 HA ASN 73 26.245 -15.797 -3.893 523 1HB ASN 73 1HB ASN 73 24.584 -15.166 -2.163 524 2HB ASN 73 2HB ASN 73 25.668 -15.824 -0.913 525 1HD2 ASN 73 1HD2 ASN 73 25.601 -13.847 0.139 526 2HD2 ASN 73 2HD2 ASN 73 26.598 -12.516 -0.531 527 H GLY 74 H GLY 74 28.272 -17.125 -4.375 528 1HA GLY 74 1HA GLY 74 30.400 -17.194 -2.481 529 2HA GLY 74 2HA GLY 74 30.577 -17.222 -4.255 530 H LYS 75 H LYS 75 31.221 -15.466 -5.277 531 HA LYS 75 HA LYS 75 32.345 -13.258 -3.659 532 1HB LYS 75 1HB LYS 75 32.308 -13.947 -6.642 533 2HB LYS 75 2HB LYS 75 32.833 -12.342 -6.104 534 1HG LYS 75 1HG LYS 75 34.262 -13.982 -4.375 535 2HG LYS 75 2HG LYS 75 34.227 -14.934 -5.872 536 1HD LYS 75 1HD LYS 75 35.060 -12.955 -7.118 537 2HD LYS 75 2HD LYS 75 35.087 -12.004 -5.612 538 1HE LYS 75 1HE LYS 75 36.863 -13.170 -4.695 539 2HE LYS 75 2HE LYS 75 36.559 -14.629 -5.650 540 1HZ LYS 75 1HZ LYS 75 37.548 -13.714 -7.504 541 2HZ LYS 75 2HZ LYS 75 37.367 -12.150 -7.010 542 3HZ LYS 75 3HZ LYS 75 38.519 -13.102 -6.322 543 H THR 76 H THR 76 30.874 -12.261 -6.564 544 HA THR 76 HA THR 76 28.882 -10.692 -4.965 545 HB THR 76 HB THR 76 30.972 -9.637 -6.357 546 HG1 THR 76 HG1 THR 76 29.594 -7.747 -6.189 547 1HG2 THR 76 1HG2 THR 76 28.658 -8.908 -8.106 548 2HG2 THR 76 2HG2 THR 76 30.370 -8.685 -8.428 549 3HG2 THR 76 3HG2 THR 76 29.655 -10.313 -8.554 550 H ASP 77 H ASP 77 28.785 -13.424 -6.395 551 HA ASP 77 HA ASP 77 27.472 -13.581 -8.693 552 1HB ASP 77 1HB ASP 77 26.715 -14.916 -6.077 553 2HB ASP 77 2HB ASP 77 26.066 -15.352 -7.623 554 H HIS 78 H HIS 78 26.076 -12.035 -9.443 555 HA HIS 78 HA HIS 78 24.003 -10.956 -7.642 556 1HB HIS 78 1HB HIS 78 23.482 -9.499 -9.641 557 2HB HIS 78 2HB HIS 78 25.011 -9.242 -8.835 558 HD1 HIS 78 HD1 HIS 78 23.545 -10.179 -12.122 559 HD2 HIS 78 HD2 HIS 78 27.277 -10.310 -10.157 560 HE1 HIS 78 HE1 HIS 78 25.346 -10.416 -13.986 561 HE2 HIS 78 HE2 HIS 78 27.614 -10.549 -12.786 562 H TYR 79 H TYR 79 23.579 -13.534 -7.823 563 HA TYR 79 HA TYR 79 21.868 -14.291 -10.018 564 1HB TYR 79 1HB TYR 79 21.692 -16.362 -8.859 565 2HB TYR 79 2HB TYR 79 23.377 -15.843 -8.800 566 HD1 TYR 79 HD1 TYR 79 20.282 -16.418 -6.797 567 HD2 TYR 79 HD2 TYR 79 24.336 -15.027 -6.649 568 HE1 TYR 79 HE1 TYR 79 20.277 -16.540 -4.317 569 HE2 TYR 79 HE2 TYR 79 24.283 -15.023 -4.268 570 HH TYR 79 HH TYR 79 22.906 -16.623 -2.575 571 H LEU 80 H LEU 80 19.653 -14.358 -10.092 572 HA LEU 80 HA LEU 80 18.252 -12.700 -8.125 573 1HB LEU 80 1HB LEU 80 17.531 -14.175 -10.703 574 2HB LEU 80 2HB LEU 80 16.273 -13.696 -9.575 575 HG LEU 80 HG LEU 80 17.960 -11.434 -9.831 576 1HD1 LEU 80 1HD1 LEU 80 18.635 -12.728 -12.025 577 2HD1 LEU 80 2HD1 LEU 80 17.096 -12.054 -12.619 578 3HD1 LEU 80 3HD1 LEU 80 18.377 -10.986 -12.025 579 1HD2 LEU 80 1HD2 LEU 80 15.698 -11.027 -9.457 580 2HD2 LEU 80 2HD2 LEU 80 15.821 -10.648 -11.201 581 3HD2 LEU 80 3HD2 LEU 80 15.174 -12.177 -10.699 582 H LEU 81 H LEU 81 16.966 -13.342 -6.474 583 HA LEU 81 HA LEU 81 16.528 -16.277 -6.162 584 1HB LEU 81 1HB LEU 81 17.474 -16.347 -4.038 585 2HB LEU 81 2HB LEU 81 18.537 -15.232 -4.865 586 HG LEU 81 HG LEU 81 17.197 -13.416 -3.915 587 1HD1 LEU 81 1HD1 LEU 81 16.019 -14.543 -1.600 588 2HD1 LEU 81 2HD1 LEU 81 15.165 -13.944 -2.960 589 3HD1 LEU 81 3HD1 LEU 81 15.565 -15.631 -2.951 590 1HD2 LEU 81 1HD2 LEU 81 19.246 -15.003 -2.776 591 2HD2 LEU 81 2HD2 LEU 81 18.890 -13.378 -2.423 592 3HD2 LEU 81 3HD2 LEU 81 18.159 -14.641 -1.420 593 H GLU 82 H GLU 82 14.603 -16.800 -5.476 594 HA GLU 82 HA GLU 82 12.664 -14.594 -5.095 595 1HB GLU 82 1HB GLU 82 10.996 -16.147 -5.695 596 2HB GLU 82 2HB GLU 82 12.274 -16.216 -6.922 597 1HG GLU 82 1HG GLU 82 12.227 -18.193 -4.697 598 2HG GLU 82 2HG GLU 82 11.034 -18.310 -5.946 599 H PHE 83 H PHE 83 10.832 -15.054 -3.594 600 HA PHE 83 HA PHE 83 11.509 -16.894 -1.399 601 1HB PHE 83 1HB PHE 83 12.663 -14.634 -1.046 602 2HB PHE 83 2HB PHE 83 11.033 -13.987 -0.877 603 HD1 PHE 83 HD1 PHE 83 10.203 -13.647 1.179 604 HD2 PHE 83 HD2 PHE 83 12.938 -16.847 0.533 605 HE1 PHE 83 HE1 PHE 83 10.167 -14.328 3.672 606 HE2 PHE 83 HE2 PHE 83 12.925 -17.413 2.970 607 HZ PHE 83 HZ PHE 83 11.527 -16.014 4.452 608 HA PRO 84 HA PRO 84 7.049 -17.060 -1.410 609 1HB PRO 84 1HB PRO 84 6.661 -18.560 0.895 610 2HB PRO 84 2HB PRO 84 7.107 -19.214 -0.705 611 1HG PRO 84 1HG PRO 84 8.802 -18.857 1.713 612 2HG PRO 84 2HG PRO 84 9.003 -19.946 0.306 613 1HD PRO 84 1HD PRO 84 10.307 -17.495 0.850 614 2HD PRO 84 2HD PRO 84 10.412 -18.461 -0.657 615 H THR 85 H THR 85 6.447 -14.989 -1.189 616 HA THR 85 HA THR 85 6.183 -13.910 1.531 617 HB THR 85 HB THR 85 7.465 -12.478 0.067 618 HG1 THR 85 HG1 THR 85 5.720 -11.738 1.522 619 1HG2 THR 85 1HG2 THR 85 5.619 -11.502 -1.809 620 2HG2 THR 85 2HG2 THR 85 7.059 -12.497 -2.150 621 3HG2 THR 85 3HG2 THR 85 5.494 -13.246 -1.957 622 H PHE 86 H PHE 86 4.502 -14.465 2.510 623 HA PHE 86 HA PHE 86 2.034 -14.847 1.026 624 1HB PHE 86 1HB PHE 86 2.568 -14.800 4.029 625 2HB PHE 86 2HB PHE 86 1.146 -15.477 3.264 626 HD1 PHE 86 HD1 PHE 86 4.787 -15.933 3.780 627 HD2 PHE 86 HD2 PHE 86 1.129 -17.653 2.207 628 HE1 PHE 86 HE1 PHE 86 5.917 -18.092 3.397 629 HE2 PHE 86 HE2 PHE 86 2.267 -19.884 2.033 630 HZ PHE 86 HZ PHE 86 4.631 -20.086 2.651 631 HA PRO 87 HA PRO 87 0.297 -10.861 1.742 632 1HB PRO 87 1HB PRO 87 -2.425 -11.492 2.065 633 2HB PRO 87 2HB PRO 87 -1.530 -11.344 0.561 634 1HG PRO 87 1HG PRO 87 -2.489 -13.803 1.923 635 2HG PRO 87 2HG PRO 87 -2.050 -13.580 0.189 636 1HD PRO 87 1HD PRO 87 -0.519 -14.769 2.272 637 2HD PRO 87 2HD PRO 87 -0.007 -14.474 0.594 638 H ASP 88 H ASP 88 -0.958 -13.384 3.970 639 HA ASP 88 HA ASP 88 -1.999 -11.991 6.035 640 1HB ASP 88 1HB ASP 88 0.157 -13.944 6.678 641 2HB ASP 88 2HB ASP 88 -1.380 -13.723 7.506 642 H GLY 89 H GLY 89 1.343 -12.016 5.035 643 1HA GLY 89 1HA GLY 89 3.044 -10.559 5.497 644 2HA GLY 89 2HA GLY 89 1.963 -9.721 6.670 645 H HIS 90 H HIS 90 2.307 -13.076 6.948 646 HA HIS 90 HA HIS 90 3.637 -12.680 9.552 647 1HB HIS 90 1HB HIS 90 2.989 -14.935 10.061 648 2HB HIS 90 2HB HIS 90 1.611 -14.068 9.393 649 HD1 HIS 90 HD1 HIS 90 0.221 -15.639 7.913 650 HD2 HIS 90 HD2 HIS 90 4.364 -16.371 7.693 651 HE1 HIS 90 HE1 HIS 90 0.533 -17.520 6.236 652 HE2 HIS 90 HE2 HIS 90 3.063 -17.913 6.009 653 H ASP 91 H ASP 91 5.650 -13.379 10.041 654 HA ASP 91 HA ASP 91 7.520 -13.766 7.875 655 1HB ASP 91 1HB ASP 91 7.889 -12.648 10.215 656 2HB ASP 91 2HB ASP 91 7.996 -14.282 10.863 657 H TYR 92 H TYR 92 6.561 -15.636 6.873 658 HA TYR 92 HA TYR 92 5.887 -18.080 7.783 659 1HB TYR 92 1HB TYR 92 6.103 -17.317 5.444 660 2HB TYR 92 2HB TYR 92 7.822 -17.509 5.509 661 HD1 TYR 92 HD1 TYR 92 4.618 -19.338 5.403 662 HD2 TYR 92 HD2 TYR 92 8.894 -19.678 5.538 663 HE1 TYR 92 HE1 TYR 92 4.464 -21.619 4.591 664 HE2 TYR 92 HE2 TYR 92 8.728 -22.092 4.855 665 HH TYR 92 HH TYR 92 7.098 -23.877 4.706 666 H LYS 93 H LYS 93 6.907 -20.073 8.286 667 HA LYS 93 HA LYS 93 9.417 -19.687 9.760 668 1HB LYS 93 1HB LYS 93 9.041 -22.076 10.304 669 2HB LYS 93 2HB LYS 93 7.838 -20.936 10.927 670 1HG LYS 93 1HG LYS 93 6.149 -21.698 9.534 671 2HG LYS 93 2HG LYS 93 7.249 -22.220 8.250 672 1HD LYS 93 1HD LYS 93 6.113 -24.097 9.447 673 2HD LYS 93 2HD LYS 93 7.886 -24.167 9.401 674 1HE LYS 93 1HE LYS 93 6.692 -22.783 11.759 675 2HE LYS 93 2HE LYS 93 6.354 -24.524 11.652 676 1HZ LYS 93 1HZ LYS 93 8.402 -24.725 12.569 677 2HZ LYS 93 2HZ LYS 93 8.971 -24.404 11.070 678 3HZ LYS 93 3HZ LYS 93 8.864 -23.188 12.185 679 H PHE 94 H PHE 94 10.367 -19.058 7.618 680 HA PHE 94 HA PHE 94 11.107 -21.274 5.829 681 1HB PHE 94 1HB PHE 94 12.408 -19.463 4.675 682 2HB PHE 94 2HB PHE 94 10.698 -19.168 4.755 683 HD1 PHE 94 HD1 PHE 94 9.781 -17.410 6.118 684 HD2 PHE 94 HD2 PHE 94 14.003 -18.113 6.061 685 HE1 PHE 94 HE1 PHE 94 10.097 -15.303 7.288 686 HE2 PHE 94 HE2 PHE 94 14.340 -15.907 7.222 687 HZ PHE 94 HZ PHE 94 12.385 -14.488 7.811 688 H ASP 95 H ASP 95 12.213 -19.994 8.768 689 HA ASP 95 HA ASP 95 15.056 -20.733 8.280 690 1HB ASP 95 1HB ASP 95 14.189 -18.558 9.482 691 2HB ASP 95 2HB ASP 95 13.849 -19.643 10.838 692 H SER 96 H SER 96 12.132 -21.683 9.962 693 HA SER 96 HA SER 96 13.505 -23.656 11.680 694 1HB SER 96 1HB SER 96 10.602 -23.126 11.127 695 2HB SER 96 2HB SER 96 11.196 -24.310 12.316 696 HG SER 96 HG SER 96 12.040 -21.629 12.460 697 H LYS 97 H LYS 97 14.365 -25.279 10.628 698 HA LYS 97 HA LYS 97 13.420 -26.412 8.185 699 1HB LYS 97 1HB LYS 97 15.135 -27.968 8.406 700 2HB LYS 97 2HB LYS 97 15.718 -26.695 9.478 701 1HG LYS 97 1HG LYS 97 14.792 -27.934 11.430 702 2HG LYS 97 2HG LYS 97 14.240 -29.214 10.306 703 1HD LYS 97 1HD LYS 97 16.082 -30.249 10.805 704 2HD LYS 97 2HD LYS 97 16.743 -29.195 9.542 705 1HE LYS 97 1HE LYS 97 16.870 -27.568 11.809 706 2HE LYS 97 2HE LYS 97 17.136 -29.171 12.512 707 1HZ LYS 97 1HZ LYS 97 19.195 -29.169 11.636 708 2HZ LYS 97 2HZ LYS 97 18.637 -28.851 10.126 709 3HZ LYS 97 3HZ LYS 97 18.977 -27.611 11.143 710 H LYS 98 H LYS 98 12.846 -27.456 11.464 711 HA LYS 98 HA LYS 98 10.489 -28.815 10.493 712 1HB LYS 98 1HB LYS 98 10.802 -30.770 11.795 713 2HB LYS 98 2HB LYS 98 12.046 -30.537 10.595 714 1HG LYS 98 1HG LYS 98 13.645 -30.722 12.193 715 2HG LYS 98 2HG LYS 98 13.089 -29.225 12.887 716 1HD LYS 98 1HD LYS 98 11.191 -31.010 13.874 717 2HD LYS 98 2HD LYS 98 12.651 -32.008 13.813 718 1HE LYS 98 1HE LYS 98 13.727 -30.709 15.432 719 2HE LYS 98 2HE LYS 98 12.904 -29.219 14.917 720 1HZ LYS 98 1HZ LYS 98 11.981 -31.225 16.808 721 2HZ LYS 98 2HZ LYS 98 11.721 -29.591 16.781 722 3HZ LYS 98 3HZ LYS 98 10.839 -30.574 15.820 723 HA PRO 99 HA PRO 99 8.627 -29.328 11.036 724 1HB PRO 99 1HB PRO 99 6.232 -28.011 11.097 725 2HB PRO 99 2HB PRO 99 6.704 -29.454 12.054 726 1HG PRO 99 1HG PRO 99 6.408 -26.626 12.936 727 2HG PRO 99 2HG PRO 99 6.352 -28.141 13.907 728 1HD PRO 99 1HD PRO 99 8.548 -26.287 13.653 729 2HD PRO 99 2HD PRO 99 8.542 -27.843 14.531 730 H LYS 100 H LYS 100 7.328 -28.426 9.056 731 HA LYS 100 HA LYS 100 8.283 -25.770 8.182 732 1HB LYS 100 1HB LYS 100 9.992 -26.781 7.255 733 2HB LYS 100 2HB LYS 100 9.227 -28.371 7.100 734 1HG LYS 100 1HG LYS 100 8.032 -27.761 5.141 735 2HG LYS 100 2HG LYS 100 8.237 -26.040 5.424 736 1HD LYS 100 1HD LYS 100 9.853 -26.058 3.956 737 2HD LYS 100 2HD LYS 100 10.848 -26.759 5.251 738 1HE LYS 100 1HE LYS 100 9.716 -27.987 2.828 739 2HE LYS 100 2HE LYS 100 11.349 -28.105 3.562 740 1HZ LYS 100 1HZ LYS 100 8.870 -29.501 4.304 741 2HZ LYS 100 2HZ LYS 100 10.397 -30.146 4.151 742 3HZ LYS 100 3HZ LYS 100 9.974 -29.209 5.456 743 H GLU 101 H GLU 101 6.734 -24.670 7.230 744 HA GLU 101 HA GLU 101 4.211 -26.043 6.716 745 1HB GLU 101 1HB GLU 101 4.912 -23.448 7.595 746 2HB GLU 101 2HB GLU 101 4.427 -23.229 5.940 747 1HG GLU 101 1HG GLU 101 2.491 -22.969 7.306 748 2HG GLU 101 2HG GLU 101 2.312 -24.450 6.367 749 H ASN 102 H ASN 102 3.024 -24.950 4.695 750 HA ASN 102 HA ASN 102 4.428 -26.163 2.439 751 1HB ASN 102 1HB ASN 102 1.658 -25.385 3.088 752 2HB ASN 102 2HB ASN 102 2.118 -24.799 1.494 753 1HD2 ASN 102 1HD2 ASN 102 2.076 -27.676 3.531 754 2HD2 ASN 102 2HD2 ASN 102 1.952 -28.811 2.165 755 HA PRO 103 HA PRO 103 6.040 -22.407 0.807 756 1HB PRO 103 1HB PRO 103 6.133 -23.060 -1.949 757 2HB PRO 103 2HB PRO 103 7.266 -23.582 -0.692 758 1HG PRO 103 1HG PRO 103 5.125 -25.122 -2.048 759 2HG PRO 103 2HG PRO 103 6.627 -25.709 -1.237 760 1HD PRO 103 1HD PRO 103 3.956 -25.647 -0.223 761 2HD PRO 103 2HD PRO 103 5.439 -26.167 0.638 762 H GLY 104 H GLY 104 5.523 -21.252 -1.665 763 1HA GLY 104 1HA GLY 104 2.638 -20.649 -1.605 764 2HA GLY 104 2HA GLY 104 3.787 -19.290 -1.474 765 HA PRO 105 HA PRO 105 3.138 -20.629 -5.980 766 1HB PRO 105 1HB PRO 105 1.005 -18.957 -6.716 767 2HB PRO 105 2HB PRO 105 0.876 -20.683 -6.257 768 1HG PRO 105 1HG PRO 105 0.091 -18.272 -4.700 769 2HG PRO 105 2HG PRO 105 -0.448 -19.977 -4.517 770 1HD PRO 105 1HD PRO 105 1.485 -18.561 -2.931 771 2HD PRO 105 2HD PRO 105 1.021 -20.287 -2.837 772 H ALA 106 H ALA 106 2.612 -17.415 -4.494 773 HA ALA 106 HA ALA 106 4.178 -16.148 -6.635 774 1HB ALA 106 1HB ALA 106 3.309 -14.280 -4.677 775 2HB ALA 106 2HB ALA 106 2.602 -14.621 -6.321 776 3HB ALA 106 3HB ALA 106 2.016 -15.441 -4.924 777 H ARG 107 H ARG 107 6.028 -14.998 -6.225 778 HA ARG 107 HA ARG 107 7.160 -15.048 -3.544 779 1HB ARG 107 1HB ARG 107 8.399 -16.531 -5.952 780 2HB ARG 107 2HB ARG 107 9.322 -15.970 -4.541 781 1HG ARG 107 1HG ARG 107 7.319 -17.286 -3.296 782 2HG ARG 107 2HG ARG 107 7.351 -18.154 -4.786 783 1HD ARG 107 1HD ARG 107 10.005 -17.669 -3.482 784 2HD ARG 107 2HD ARG 107 8.885 -18.598 -2.498 785 HE ARG 107 HE ARG 107 10.327 -19.532 -4.643 786 1HH1 ARG 107 2HH2 ARG 107 7.110 -19.663 -3.430 787 2HH1 ARG 107 1HH2 ARG 107 6.670 -21.144 -4.083 788 1HH2 ARG 107 2HH1 ARG 107 9.807 -21.573 -5.564 789 2HH2 ARG 107 1HH1 ARG 107 8.246 -22.268 -5.212 790 H VAL 108 H VAL 108 8.838 -13.595 -3.220 791 HA VAL 108 HA VAL 108 8.821 -11.355 -5.166 792 HB VAL 108 HB VAL 108 8.570 -10.755 -2.881 793 1HG1 VAL 108 1HG1 VAL 108 10.916 -12.543 -2.326 794 2HG1 VAL 108 2HG1 VAL 108 10.474 -11.279 -1.217 795 3HG1 VAL 108 3HG1 VAL 108 9.310 -12.541 -1.577 796 1HG2 VAL 108 1HG2 VAL 108 10.967 -9.921 -4.340 797 2HG2 VAL 108 2HG2 VAL 108 9.787 -8.997 -3.382 798 3HG2 VAL 108 3HG2 VAL 108 11.198 -9.753 -2.628 799 H ILE 109 H ILE 109 10.072 -11.509 -6.874 800 HA ILE 109 HA ILE 109 12.666 -12.985 -6.672 801 HB ILE 109 HB ILE 109 10.841 -12.105 -8.905 802 1HG1 ILE 109 1HG1 ILE 109 11.050 -14.458 -9.538 803 2HG1 ILE 109 2HG1 ILE 109 12.318 -14.692 -8.318 804 1HG2 ILE 109 1HG2 ILE 109 12.559 -12.619 -10.536 805 2HG2 ILE 109 2HG2 ILE 109 13.094 -11.319 -9.572 806 3HG2 ILE 109 3HG2 ILE 109 13.737 -12.922 -9.201 807 1HD1 ILE 109 1HD1 ILE 109 10.020 -15.560 -7.654 808 2HD1 ILE 109 2HD1 ILE 109 10.599 -14.309 -6.581 809 3HD1 ILE 109 3HD1 ILE 109 9.436 -13.891 -7.857 810 H TYR 110 H TYR 110 14.488 -11.947 -6.271 811 HA TYR 110 HA TYR 110 14.797 -9.162 -7.314 812 1HB TYR 110 1HB TYR 110 15.433 -8.366 -5.131 813 2HB TYR 110 2HB TYR 110 13.854 -9.127 -4.974 814 HD1 TYR 110 HD1 TYR 110 13.482 -10.754 -3.291 815 HD2 TYR 110 HD2 TYR 110 17.505 -9.959 -4.583 816 HE1 TYR 110 HE1 TYR 110 14.441 -12.166 -1.471 817 HE2 TYR 110 HE2 TYR 110 18.420 -11.328 -2.863 818 HH TYR 110 HH TYR 110 16.233 -12.901 -0.423 819 H THR 111 H THR 111 16.956 -8.558 -7.557 820 HA THR 111 HA THR 111 18.809 -10.835 -7.827 821 HB THR 111 HB THR 111 19.944 -9.508 -9.339 822 HG1 THR 111 HG1 THR 111 20.308 -7.751 -7.878 823 1HG2 THR 111 1HG2 THR 111 17.197 -9.408 -9.736 824 2HG2 THR 111 2HG2 THR 111 17.537 -7.742 -9.678 825 3HG2 THR 111 3HG2 THR 111 18.383 -8.812 -10.854 826 H TYR 112 H TYR 112 21.051 -10.648 -7.128 827 HA TYR 112 HA TYR 112 21.133 -9.294 -4.522 828 1HB TYR 112 1HB TYR 112 21.290 -11.494 -4.081 829 2HB TYR 112 2HB TYR 112 22.168 -11.862 -5.568 830 HD1 TYR 112 HD1 TYR 112 22.525 -11.590 -2.114 831 HD2 TYR 112 HD2 TYR 112 24.654 -10.758 -5.719 832 HE1 TYR 112 HE1 TYR 112 24.658 -11.446 -0.853 833 HE2 TYR 112 HE2 TYR 112 26.757 -10.714 -4.538 834 HH TYR 112 HH TYR 112 27.635 -11.590 -2.419 835 HA PRO 113 HA PRO 113 22.750 -9.072 -3.005 836 1HB PRO 113 1HB PRO 113 23.826 -6.866 -1.826 837 2HB PRO 113 2HB PRO 113 24.663 -8.431 -2.067 838 1HG PRO 113 1HG PRO 113 25.050 -5.862 -3.519 839 2HG PRO 113 2HG PRO 113 26.170 -7.260 -3.351 840 1HD PRO 113 1HD PRO 113 24.522 -6.612 -5.647 841 2HD PRO 113 2HD PRO 113 25.510 -8.065 -5.405 842 H ASN 114 H ASN 114 22.768 -5.775 -4.260 843 HA ASN 114 HA ASN 114 20.692 -4.691 -2.824 844 1HB ASN 114 1HB ASN 114 21.929 -4.225 -5.493 845 2HB ASN 114 2HB ASN 114 20.220 -3.880 -5.537 846 1HD2 ASN 114 1HD2 ASN 114 22.184 -1.989 -5.872 847 2HD2 ASN 114 2HD2 ASN 114 21.993 -0.846 -4.527 848 H LYS 115 H LYS 115 18.801 -5.597 -2.374 849 HA LYS 115 HA LYS 115 17.549 -7.596 -3.977 850 1HB LYS 115 1HB LYS 115 17.136 -6.276 -1.353 851 2HB LYS 115 2HB LYS 115 15.589 -6.600 -2.101 852 1HG LYS 115 1HG LYS 115 15.745 -8.778 -2.041 853 2HG LYS 115 2HG LYS 115 17.545 -8.794 -2.194 854 1HD LYS 115 1HD LYS 115 16.126 -7.943 0.302 855 2HD LYS 115 2HD LYS 115 16.548 -9.632 -0.029 856 1HE LYS 115 1HE LYS 115 18.525 -9.106 0.931 857 2HE LYS 115 2HE LYS 115 18.929 -8.516 -0.684 858 1HZ LYS 115 1HZ LYS 115 19.193 -7.028 1.448 859 2HZ LYS 115 2HZ LYS 115 18.757 -6.384 -0.013 860 3HZ LYS 115 3HZ LYS 115 17.602 -6.683 1.128 861 H VAL 116 H VAL 116 17.783 -6.207 -5.896 862 HA VAL 116 HA VAL 116 15.994 -3.997 -6.343 863 HB VAL 116 HB VAL 116 17.595 -5.785 -8.255 864 1HG1 VAL 116 1HG1 VAL 116 17.122 -3.614 -9.782 865 2HG1 VAL 116 2HG1 VAL 116 16.041 -4.964 -9.736 866 3HG1 VAL 116 3HG1 VAL 116 15.662 -3.533 -8.752 867 1HG2 VAL 116 1HG2 VAL 116 18.194 -3.340 -6.667 868 2HG2 VAL 116 2HG2 VAL 116 19.261 -4.577 -7.398 869 3HG2 VAL 116 3HG2 VAL 116 18.681 -3.243 -8.363 870 H PHE 117 H PHE 117 14.231 -5.304 -5.293 871 HA PHE 117 HA PHE 117 12.841 -7.433 -6.061 872 1HB PHE 117 1HB PHE 117 12.037 -5.920 -4.336 873 2HB PHE 117 2HB PHE 117 11.881 -4.614 -5.524 874 HD1 PHE 117 HD1 PHE 117 10.702 -8.105 -5.195 875 HD2 PHE 117 HD2 PHE 117 9.744 -4.068 -6.217 876 HE1 PHE 117 HE1 PHE 117 8.341 -8.817 -5.564 877 HE2 PHE 117 HE2 PHE 117 7.426 -4.729 -6.620 878 HZ PHE 117 HZ PHE 117 6.708 -7.053 -6.431 879 H CYS 118 H CYS 118 12.349 -8.239 -7.968 880 HA CYS 118 HA CYS 118 12.039 -6.541 -10.310 881 1HB CYS 118 1HB CYS 118 11.821 -9.558 -10.304 882 2HB CYS 118 2HB CYS 118 12.342 -8.427 -11.550 883 H GLY 119 H GLY 119 10.237 -9.000 -8.420 884 1HA GLY 119 1HA GLY 119 7.776 -7.896 -8.279 885 2HA GLY 119 2HA GLY 119 7.755 -8.496 -9.910 886 H ILE 120 H ILE 120 5.917 -9.710 -8.855 887 HA ILE 120 HA ILE 120 6.951 -12.131 -7.517 888 HB ILE 120 HB ILE 120 4.283 -10.713 -7.330 889 1HG1 ILE 120 1HG1 ILE 120 4.925 -11.217 -4.774 890 2HG1 ILE 120 2HG1 ILE 120 6.563 -11.357 -5.426 891 1HG2 ILE 120 1HG2 ILE 120 4.123 -13.353 -7.567 892 2HG2 ILE 120 2HG2 ILE 120 4.848 -13.326 -5.980 893 3HG2 ILE 120 3HG2 ILE 120 3.294 -12.488 -6.305 894 1HD1 ILE 120 1HD1 ILE 120 6.298 -9.100 -6.425 895 2HD1 ILE 120 2HD1 ILE 120 4.693 -8.961 -5.747 896 3HD1 ILE 120 3HD1 ILE 120 6.131 -9.066 -4.691 897 H ILE 121 H ILE 121 6.877 -13.988 -8.551 898 HA ILE 121 HA ILE 121 5.471 -13.940 -11.169 899 HB ILE 121 HB ILE 121 6.944 -15.565 -11.876 900 1HG1 ILE 121 1HG1 ILE 121 8.021 -15.994 -9.036 901 2HG1 ILE 121 2HG1 ILE 121 6.791 -17.043 -9.759 902 1HG2 ILE 121 1HG2 ILE 121 8.107 -13.649 -11.970 903 2HG2 ILE 121 2HG2 ILE 121 8.411 -13.485 -10.228 904 3HG2 ILE 121 3HG2 ILE 121 9.274 -14.658 -11.133 905 1HD1 ILE 121 1HD1 ILE 121 8.416 -17.321 -11.717 906 2HD1 ILE 121 2HD1 ILE 121 9.588 -16.682 -10.627 907 3HD1 ILE 121 3HD1 ILE 121 8.791 -18.175 -10.174 908 H ALA 122 H ALA 122 4.251 -15.805 -11.792 909 HA ALA 122 HA ALA 122 3.548 -17.940 -10.078 910 1HB ALA 122 1HB ALA 122 1.223 -16.091 -10.265 911 2HB ALA 122 2HB ALA 122 1.589 -17.292 -8.986 912 3HB ALA 122 3HB ALA 122 2.396 -15.748 -8.981 913 H HIS 123 H HIS 123 1.849 -19.259 -10.995 914 HA HIS 123 HA HIS 123 1.706 -18.900 -13.905 915 1HB HIS 123 1HB HIS 123 0.684 -21.370 -12.436 916 2HB HIS 123 2HB HIS 123 1.295 -21.227 -14.046 917 HD1 HIS 123 HD1 HIS 123 3.741 -21.967 -14.380 918 HD2 HIS 123 HD2 HIS 123 2.726 -20.952 -10.387 919 HE1 HIS 123 HE1 HIS 123 5.788 -22.568 -12.907 920 HE2 HIS 123 HE2 HIS 123 5.174 -21.868 -10.485 921 H THR 124 H THR 124 0.212 -17.389 -14.262 922 HA THR 124 HA THR 124 -2.514 -17.800 -13.096 923 HB THR 124 HB THR 124 -1.233 -15.578 -12.991 924 HG1 THR 124 HG1 THR 124 -3.369 -14.585 -13.570 925 1HG2 THR 124 1HG2 THR 124 -2.501 -14.631 -15.449 926 2HG2 THR 124 2HG2 THR 124 -0.848 -14.354 -14.801 927 3HG2 THR 124 3HG2 THR 124 -1.251 -15.776 -15.784 928 H LYS 125 H LYS 125 -1.835 -19.694 -14.839 929 HA LYS 125 HA LYS 125 -3.370 -19.004 -17.360 930 1HB LYS 125 1HB LYS 125 -1.126 -19.561 -17.892 931 2HB LYS 125 2HB LYS 125 -1.161 -21.050 -16.926 932 1HG LYS 125 1HG LYS 125 -2.567 -22.173 -18.405 933 2HG LYS 125 2HG LYS 125 -3.238 -20.695 -19.101 934 1HD LYS 125 1HD LYS 125 -1.799 -20.700 -20.771 935 2HD LYS 125 2HD LYS 125 -0.433 -20.625 -19.678 936 1HE LYS 125 1HE LYS 125 0.154 -22.629 -20.464 937 2HE LYS 125 2HE LYS 125 -1.114 -23.277 -19.398 938 1HZ LYS 125 1HZ LYS 125 -2.469 -23.670 -21.164 939 2HZ LYS 125 2HZ LYS 125 -2.004 -22.324 -21.978 940 3HZ LYS 125 3HZ LYS 125 -1.054 -23.654 -22.033 941 H GLU 126 H GLU 126 -3.217 -21.016 -14.515 942 HA GLU 126 HA GLU 126 -5.917 -21.728 -14.699 943 1HB GLU 126 1HB GLU 126 -4.269 -23.365 -16.407 944 2HB GLU 126 2HB GLU 126 -4.615 -24.342 -15.019 945 1HG GLU 126 1HG GLU 126 -6.757 -22.780 -16.517 946 2HG GLU 126 2HG GLU 126 -6.304 -24.443 -16.912 947 H ASN 127 H ASN 127 -3.059 -23.606 -13.787 948 HA ASN 127 HA ASN 127 -3.369 -22.951 -10.953 949 1HB ASN 127 1HB ASN 127 -4.493 -25.433 -12.131 950 2HB ASN 127 2HB ASN 127 -3.234 -25.798 -10.952 951 1HD2 ASN 127 1HD2 ASN 127 -3.427 -25.144 -8.805 952 2HD2 ASN 127 2HD2 ASN 127 -5.042 -24.699 -8.194 953 H GLN 128 H GLN 128 -1.820 -25.020 -13.379 954 HA GLN 128 HA GLN 128 0.806 -24.257 -12.446 955 1HB GLN 128 1HB GLN 128 0.621 -26.011 -10.933 956 2HB GLN 128 2HB GLN 128 -0.299 -27.040 -12.043 957 1HG GLN 128 1HG GLN 128 1.579 -27.798 -13.146 958 2HG GLN 128 2HG GLN 128 2.497 -26.293 -12.910 959 1HE2 GLN 128 1HE2 GLN 128 1.217 -29.118 -11.257 960 2HE2 GLN 128 2HE2 GLN 128 2.548 -29.202 -10.082 961 H GLY 129 H GLY 129 0.592 -23.258 -14.541 962 1HA GLY 129 1HA GLY 129 1.340 -25.220 -16.737 963 2HA GLY 129 2HA GLY 129 0.242 -23.855 -17.020 964 H GLU 130 H GLU 130 1.128 -21.915 -17.506 965 HA GLU 130 HA GLU 130 4.074 -21.843 -17.741 966 1HB GLU 130 1HB GLU 130 1.965 -20.951 -19.364 967 2HB GLU 130 2HB GLU 130 2.550 -19.456 -18.654 968 1HG GLU 130 1HG GLU 130 4.627 -19.588 -19.648 969 2HG GLU 130 2HG GLU 130 4.697 -21.347 -19.613 970 H LEU 131 H LEU 131 5.301 -19.991 -17.042 971 HA LEU 131 HA LEU 131 4.148 -18.815 -14.536 972 1HB LEU 131 1HB LEU 131 6.406 -20.400 -14.799 973 2HB LEU 131 2HB LEU 131 7.094 -18.779 -14.998 974 HG LEU 131 HG LEU 131 5.449 -19.792 -12.643 975 1HD1 LEU 131 1HD1 LEU 131 7.521 -19.454 -11.421 976 2HD1 LEU 131 2HD1 LEU 131 7.710 -20.693 -12.630 977 3HD1 LEU 131 3HD1 LEU 131 8.362 -19.082 -12.966 978 1HD2 LEU 131 1HD2 LEU 131 4.776 -17.727 -12.695 979 2HD2 LEU 131 2HD2 LEU 131 6.144 -17.637 -11.663 980 3HD2 LEU 131 3HD2 LEU 131 6.303 -17.049 -13.324 981 H LYS 132 H LYS 132 4.347 -16.624 -14.220 982 HA LYS 132 HA LYS 132 5.682 -14.868 -16.123 983 1HB LYS 132 1HB LYS 132 3.499 -13.652 -16.550 984 2HB LYS 132 2HB LYS 132 3.766 -15.170 -17.394 985 1HG LYS 132 1HG LYS 132 2.325 -16.317 -15.532 986 2HG LYS 132 2HG LYS 132 1.920 -14.689 -14.997 987 1HD LYS 132 1HD LYS 132 1.618 -15.568 -17.921 988 2HD LYS 132 2HD LYS 132 0.513 -16.147 -16.730 989 1HE LYS 132 1HE LYS 132 -0.645 -14.210 -17.118 990 2HE LYS 132 2HE LYS 132 0.548 -13.463 -16.051 991 1HZ LYS 132 1HZ LYS 132 0.114 -12.562 -18.442 992 2HZ LYS 132 2HZ LYS 132 1.641 -12.564 -17.822 993 3HZ LYS 132 3HZ LYS 132 1.181 -13.737 -18.890 994 H LEU 133 H LEU 133 5.108 -12.552 -15.479 995 HA LEU 133 HA LEU 133 5.554 -12.410 -12.552 996 1HB LEU 133 1HB LEU 133 6.892 -11.175 -14.493 997 2HB LEU 133 2HB LEU 133 5.591 -10.048 -14.457 998 HG LEU 133 HG LEU 133 6.056 -9.899 -11.868 999 1HD1 LEU 133 1HD1 LEU 133 7.393 -11.733 -11.429 1000 2HD1 LEU 133 2HD1 LEU 133 8.457 -11.429 -12.819 1001 3HD1 LEU 133 3HD1 LEU 133 8.511 -10.396 -11.378 1002 1HD2 LEU 133 1HD2 LEU 133 7.810 -8.248 -12.232 1003 2HD2 LEU 133 2HD2 LEU 133 8.152 -8.945 -13.853 1004 3HD2 LEU 133 3HD2 LEU 133 6.618 -8.151 -13.524 1005 H CYS 134 H CYS 134 4.198 -11.311 -11.219 1006 HA CYS 134 HA CYS 134 1.423 -11.302 -11.679 1007 1HB CYS 134 1HB CYS 134 3.074 -9.796 -9.617 1008 2HB CYS 134 2HB CYS 134 1.332 -9.899 -9.594 1009 H SER 135 H SER 135 0.317 -9.053 -10.949 1010 HA SER 135 HA SER 135 1.350 -6.757 -12.413 1011 1HB SER 135 1HB SER 135 0.478 -6.985 -14.452 1012 2HB SER 135 2HB SER 135 0.186 -8.683 -14.052 1013 HG SER 135 HG SER 135 -1.880 -7.745 -13.141 1014 H HIS 136 H HIS 136 0.787 -5.299 -10.983 1015 HA HIS 136 HA HIS 136 -1.774 -5.475 -9.505 1016 1HB HIS 136 1HB HIS 136 -0.801 -3.304 -8.494 1017 2HB HIS 136 2HB HIS 136 -0.061 -4.837 -8.106 1018 HD1 HIS 136 HD1 HIS 136 0.627 -2.927 -11.254 1019 HD2 HIS 136 HD2 HIS 136 2.310 -4.075 -7.641 1020 HE1 HIS 136 HE1 HIS 136 3.237 -2.364 -11.463 1021 HE2 HIS 136 HE2 HIS 136 4.251 -3.034 -9.164 Start of MODEL 13 1 1H ALA 1 H1 ALA 1 0.910 -0.901 0.185 2 2H ALA 1 H2 ALA 1 0.569 0.710 0.059 3 3H ALA 1 H3 ALA 1 1.913 0.207 0.851 4 HA ALA 1 HA ALA 1 1.720 0.798 -1.898 5 1HB ALA 1 1HB ALA 1 3.733 1.422 -0.885 6 2HB ALA 1 2HB ALA 1 3.918 -0.129 -0.037 7 3HB ALA 1 3HB ALA 1 4.221 -0.021 -1.770 8 H VAL 2 H VAL 2 0.046 -0.719 -2.628 9 HA VAL 2 HA VAL 2 0.666 -3.546 -2.665 10 HB VAL 2 HB VAL 2 -1.608 -2.376 -2.732 11 1HG1 VAL 2 1HG1 VAL 2 -2.611 -2.024 -4.806 12 2HG1 VAL 2 2HG1 VAL 2 -1.305 -0.845 -4.574 13 3HG1 VAL 2 3HG1 VAL 2 -1.056 -2.204 -5.677 14 1HG2 VAL 2 1HG2 VAL 2 -2.570 -4.279 -4.111 15 2HG2 VAL 2 2HG2 VAL 2 -0.901 -4.795 -4.399 16 3HG2 VAL 2 3HG2 VAL 2 -1.535 -4.705 -2.751 17 H THR 3 H THR 3 1.672 -4.673 -4.167 18 HA THR 3 HA THR 3 3.295 -3.216 -6.130 19 HB THR 3 HB THR 3 3.515 -6.165 -5.513 20 HG1 THR 3 HG1 THR 3 4.555 -5.793 -3.764 21 1HG2 THR 3 1HG2 THR 3 4.872 -4.992 -7.267 22 2HG2 THR 3 2HG2 THR 3 5.530 -3.924 -6.013 23 3HG2 THR 3 3HG2 THR 3 5.897 -5.630 -5.939 24 H TRP 4 H TRP 4 2.812 -3.251 -8.351 25 HA TRP 4 HA TRP 4 0.308 -4.614 -9.159 26 1HB TRP 4 1HB TRP 4 2.119 -2.601 -10.454 27 2HB TRP 4 2HB TRP 4 0.664 -3.291 -11.155 28 HD1 TRP 4 HD1 TRP 4 1.470 -1.491 -7.827 29 HE1 TRP 4 HE1 TRP 4 -0.325 0.309 -7.407 30 HE3 TRP 4 HE3 TRP 4 -1.471 -2.376 -11.892 31 HZ2 TRP 4 HZ2 TRP 4 -2.869 1.115 -8.649 32 HZ3 TRP 4 HZ3 TRP 4 -3.515 -1.080 -12.283 33 HH2 TRP 4 HH2 TRP 4 -4.250 0.720 -10.675 34 H THR 5 H THR 5 0.278 -6.306 -10.556 35 HA THR 5 HA THR 5 2.922 -7.221 -11.624 36 HB THR 5 HB THR 5 0.982 -8.627 -9.875 37 HG1 THR 5 HG1 THR 5 2.907 -8.239 -9.097 38 1HG2 THR 5 1HG2 THR 5 2.667 -10.186 -11.901 39 2HG2 THR 5 2HG2 THR 5 1.663 -10.822 -10.582 40 3HG2 THR 5 3HG2 THR 5 0.877 -10.085 -11.981 41 H CYS 6 H CYS 6 2.982 -7.624 -13.629 42 HA CYS 6 HA CYS 6 0.413 -8.013 -15.100 43 1HB CYS 6 1HB CYS 6 2.329 -5.899 -15.418 44 2HB CYS 6 2HB CYS 6 2.349 -6.869 -16.854 45 H GLY 7 H GLY 7 0.945 -10.196 -14.433 46 1HA GLY 7 1HA GLY 7 1.770 -12.370 -14.872 47 2HA GLY 7 2HA GLY 7 1.527 -11.927 -16.555 48 H GLY 8 H GLY 8 3.897 -11.163 -14.005 49 1HA GLY 8 1HA GLY 8 6.162 -12.201 -15.454 50 2HA GLY 8 2HA GLY 8 6.062 -10.457 -15.678 51 H LEU 9 H LEU 9 6.254 -9.100 -13.757 52 HA LEU 9 HA LEU 9 7.164 -10.371 -11.248 53 1HB LEU 9 1HB LEU 9 8.623 -8.338 -12.963 54 2HB LEU 9 2HB LEU 9 8.956 -8.445 -11.255 55 HG LEU 9 HG LEU 9 9.177 -10.838 -13.082 56 1HD1 LEU 9 1HD1 LEU 9 11.792 -9.921 -12.330 57 2HD1 LEU 9 2HD1 LEU 9 11.070 -10.125 -13.930 58 3HD1 LEU 9 3HD1 LEU 9 10.912 -8.579 -13.072 59 1HD2 LEU 9 1HD2 LEU 9 10.822 -10.880 -10.646 60 2HD2 LEU 9 2HD2 LEU 9 9.119 -10.715 -10.265 61 3HD2 LEU 9 3HD2 LEU 9 9.658 -12.060 -11.268 62 H LEU 10 H LEU 10 7.228 -8.870 -9.519 63 HA LEU 10 HA LEU 10 4.821 -7.163 -9.504 64 1HB LEU 10 1HB LEU 10 6.607 -7.836 -7.188 65 2HB LEU 10 2HB LEU 10 4.972 -7.234 -7.166 66 HG LEU 10 HG LEU 10 4.975 -9.785 -8.530 67 1HD1 LEU 10 1HD1 LEU 10 5.680 -11.226 -6.800 68 2HD1 LEU 10 2HD1 LEU 10 7.019 -10.130 -7.191 69 3HD1 LEU 10 3HD1 LEU 10 6.057 -9.854 -5.722 70 1HD2 LEU 10 1HD2 LEU 10 3.139 -8.367 -6.956 71 2HD2 LEU 10 2HD2 LEU 10 3.025 -10.050 -7.424 72 3HD2 LEU 10 3HD2 LEU 10 3.708 -9.625 -5.849 73 H TYR 11 H TYR 11 4.992 -5.219 -10.008 74 HA TYR 11 HA TYR 11 7.406 -3.511 -9.958 75 1HB TYR 11 1HB TYR 11 4.681 -3.058 -11.199 76 2HB TYR 11 2HB TYR 11 6.123 -2.054 -11.374 77 HD1 TYR 11 HD1 TYR 11 4.416 -5.080 -12.519 78 HD2 TYR 11 HD2 TYR 11 8.171 -2.979 -12.442 79 HE1 TYR 11 HE1 TYR 11 5.206 -6.533 -14.328 80 HE2 TYR 11 HE2 TYR 11 8.915 -4.254 -14.399 81 HH TYR 11 HH TYR 11 8.422 -5.867 -15.805 82 H ASN 12 H ASN 12 7.711 -2.485 -8.093 83 HA ASN 12 HA ASN 12 5.690 -1.957 -6.116 84 1HB ASN 12 1HB ASN 12 8.504 -1.543 -6.327 85 2HB ASN 12 2HB ASN 12 7.796 0.059 -6.117 86 1HD2 ASN 12 1HD2 ASN 12 5.590 -0.405 -4.441 87 2HD2 ASN 12 2HD2 ASN 12 6.371 -1.142 -3.029 88 H GLN 13 H GLN 13 3.874 -0.828 -6.432 89 HA GLN 13 HA GLN 13 3.491 1.007 -8.396 90 1HB GLN 13 1HB GLN 13 1.680 0.394 -6.844 91 2HB GLN 13 2HB GLN 13 2.422 1.343 -5.566 92 1HG GLN 13 1HG GLN 13 0.427 2.439 -6.826 93 2HG GLN 13 2HG GLN 13 1.859 3.433 -6.620 94 1HE2 GLN 13 1HE2 GLN 13 1.174 0.791 -9.173 95 2HE2 GLN 13 2HE2 GLN 13 1.581 2.103 -10.314 96 H ASN 14 H ASN 14 4.719 1.970 -5.214 97 HA ASN 14 HA ASN 14 5.142 4.722 -5.757 98 1HB ASN 14 1HB ASN 14 5.862 2.911 -3.715 99 2HB ASN 14 2HB ASN 14 7.402 3.336 -4.463 100 1HD2 ASN 14 1HD2 ASN 14 4.513 4.787 -3.089 101 2HD2 ASN 14 2HD2 ASN 14 5.398 6.228 -2.629 102 H LYS 15 H LYS 15 6.990 2.086 -7.039 103 HA LYS 15 HA LYS 15 8.996 3.799 -8.417 104 1HB LYS 15 1HB LYS 15 8.650 0.882 -7.954 105 2HB LYS 15 2HB LYS 15 9.339 1.327 -9.505 106 1HG LYS 15 1HG LYS 15 11.249 2.203 -8.592 107 2HG LYS 15 2HG LYS 15 10.453 2.795 -7.148 108 1HD LYS 15 1HD LYS 15 10.160 0.263 -6.452 109 2HD LYS 15 2HD LYS 15 11.369 -0.062 -7.665 110 1HE LYS 15 1HE LYS 15 12.567 0.248 -5.623 111 2HE LYS 15 2HE LYS 15 12.754 1.815 -6.429 112 1HZ LYS 15 1HZ LYS 15 10.374 1.812 -4.926 113 2HZ LYS 15 2HZ LYS 15 11.568 1.301 -3.935 114 3HZ LYS 15 3HZ LYS 15 11.694 2.759 -4.680 115 H ALA 16 H ALA 16 5.990 1.982 -9.266 116 HA ALA 16 HA ALA 16 6.204 2.573 -12.047 117 1HB ALA 16 1HB ALA 16 3.753 2.453 -10.354 118 2HB ALA 16 2HB ALA 16 3.882 2.249 -12.094 119 3HB ALA 16 3HB ALA 16 4.584 1.008 -11.007 120 H GLU 17 H GLU 17 4.820 4.535 -9.435 121 HA GLU 17 HA GLU 17 4.451 6.828 -11.285 122 1HB GLU 17 1HB GLU 17 3.866 8.103 -9.283 123 2HB GLU 17 2HB GLU 17 2.835 6.695 -9.626 124 1HG GLU 17 1HG GLU 17 3.770 5.417 -7.911 125 2HG GLU 17 2HG GLU 17 5.156 6.523 -7.718 126 H SER 18 H SER 18 6.756 6.022 -8.692 127 HA SER 18 HA SER 18 8.256 8.481 -8.790 128 1HB SER 18 1HB SER 18 8.527 7.138 -6.830 129 2HB SER 18 2HB SER 18 9.265 5.836 -7.830 130 HG SER 18 HG SER 18 10.652 7.189 -6.624 131 H ASN 19 H ASN 19 9.084 5.280 -10.207 132 HA ASN 19 HA ASN 19 11.468 5.972 -11.587 133 1HB ASN 19 1HB ASN 19 10.432 3.596 -11.259 134 2HB ASN 19 2HB ASN 19 9.438 4.037 -12.678 135 1HD2 ASN 19 1HD2 ASN 19 12.928 4.396 -11.698 136 2HD2 ASN 19 2HD2 ASN 19 13.360 3.697 -13.243 137 H SER 20 H SER 20 8.141 6.446 -12.445 138 HA SER 20 HA SER 20 8.647 7.736 -15.019 139 1HB SER 20 1HB SER 20 6.625 7.044 -15.346 140 2HB SER 20 2HB SER 20 6.335 6.830 -13.570 141 HG SER 20 HG SER 20 6.208 9.326 -14.835 142 H HIS 21 H HIS 21 7.901 8.909 -11.776 143 HA HIS 21 HA HIS 21 7.361 11.650 -12.169 144 1HB HIS 21 1HB HIS 21 8.781 10.232 -9.876 145 2HB HIS 21 2HB HIS 21 8.802 11.948 -9.919 146 HD1 HIS 21 HD1 HIS 21 7.452 11.708 -7.540 147 HD2 HIS 21 HD2 HIS 21 5.509 10.459 -11.041 148 HE1 HIS 21 HE1 HIS 21 4.933 11.542 -6.937 149 HE2 HIS 21 HE2 HIS 21 3.783 10.666 -9.036 150 H HIS 22 H HIS 22 10.519 10.087 -12.309 151 HA HIS 22 HA HIS 22 12.014 12.512 -12.729 152 1HB HIS 22 1HB HIS 22 13.190 9.975 -13.656 153 2HB HIS 22 2HB HIS 22 13.818 11.190 -12.568 154 HD1 HIS 22 HD1 HIS 22 13.714 7.879 -12.540 155 HD2 HIS 22 HD2 HIS 22 11.800 10.690 -10.136 156 HE1 HIS 22 HE1 HIS 22 13.179 6.666 -10.292 157 HE2 HIS 22 HE2 HIS 22 11.849 8.377 -8.932 158 H ALA 23 H ALA 23 10.752 9.887 -14.740 159 HA ALA 23 HA ALA 23 11.687 10.335 -17.245 160 1HB ALA 23 1HB ALA 23 9.868 8.674 -16.277 161 2HB ALA 23 2HB ALA 23 8.773 9.852 -17.053 162 3HB ALA 23 3HB ALA 23 10.058 9.031 -17.956 163 HA PRO 24 HA PRO 24 10.411 14.515 -18.002 164 1HB PRO 24 1HB PRO 24 10.883 14.639 -20.746 165 2HB PRO 24 2HB PRO 24 12.121 14.836 -19.451 166 1HG PRO 24 1HG PRO 24 11.482 12.552 -21.205 167 2HG PRO 24 2HG PRO 24 13.054 12.957 -20.419 168 1HD PRO 24 1HD PRO 24 11.199 10.998 -19.665 169 2HD PRO 24 2HD PRO 24 12.586 11.595 -18.682 170 H LEU 25 H LEU 25 8.658 15.687 -18.830 171 HA LEU 25 HA LEU 25 6.397 14.007 -19.515 172 1HB LEU 25 1HB LEU 25 6.806 16.502 -18.172 173 2HB LEU 25 2HB LEU 25 5.846 16.845 -19.539 174 HG LEU 25 HG LEU 25 5.314 15.232 -17.180 175 1HD1 LEU 25 1HD1 LEU 25 4.028 17.582 -18.228 176 2HD1 LEU 25 2HD1 LEU 25 2.863 16.338 -17.740 177 3HD1 LEU 25 3HD1 LEU 25 4.051 16.947 -16.592 178 1HD2 LEU 25 1HD2 LEU 25 3.217 14.123 -18.154 179 2HD2 LEU 25 2HD2 LEU 25 4.147 14.242 -19.674 180 3HD2 LEU 25 3HD2 LEU 25 4.805 13.404 -18.292 181 H SER 26 H SER 26 6.659 13.271 -21.555 182 HA SER 26 HA SER 26 5.875 14.835 -23.821 183 1HB SER 26 1HB SER 26 8.770 14.507 -23.165 184 2HB SER 26 2HB SER 26 8.319 14.309 -24.873 185 HG SER 26 HG SER 26 7.433 16.507 -23.395 186 H ASP 27 H ASP 27 6.310 13.549 -25.865 187 HA ASP 27 HA ASP 27 6.061 10.629 -25.429 188 1HB ASP 27 1HB ASP 27 4.091 11.023 -26.261 189 2HB ASP 27 2HB ASP 27 4.568 12.444 -27.151 190 H GLY 28 H GLY 28 7.954 9.746 -25.917 191 1HA GLY 28 1HA GLY 28 9.756 9.078 -27.303 192 2HA GLY 28 2HA GLY 28 8.795 9.651 -28.658 193 H LYS 29 H LYS 29 10.578 10.917 -25.983 194 HA LYS 29 HA LYS 29 12.280 12.672 -27.673 195 1HB LYS 29 1HB LYS 29 10.078 13.662 -25.944 196 2HB LYS 29 2HB LYS 29 11.536 14.550 -25.737 197 1HG LYS 29 1HG LYS 29 11.027 14.094 -28.600 198 2HG LYS 29 2HG LYS 29 9.633 14.845 -27.833 199 1HD LYS 29 1HD LYS 29 10.819 16.791 -27.324 200 2HD LYS 29 2HD LYS 29 12.388 15.936 -27.258 201 1HE LYS 29 1HE LYS 29 12.241 15.512 -29.696 202 2HE LYS 29 2HE LYS 29 10.823 16.574 -29.776 203 1HZ LYS 29 1HZ LYS 29 12.199 18.348 -28.879 204 2HZ LYS 29 2HZ LYS 29 13.499 17.342 -28.752 205 3HZ LYS 29 3HZ LYS 29 12.917 17.765 -30.239 206 H THR 30 H THR 30 12.749 10.428 -25.936 207 HA THR 30 HA THR 30 14.823 11.575 -24.104 208 HB THR 30 HB THR 30 14.444 9.692 -22.669 209 HG1 THR 30 HG1 THR 30 12.582 8.421 -23.143 210 1HG2 THR 30 1HG2 THR 30 11.604 10.591 -23.185 211 2HG2 THR 30 2HG2 THR 30 12.540 10.367 -21.686 212 3HG2 THR 30 3HG2 THR 30 12.857 11.756 -22.738 213 H GLY 31 H GLY 31 16.690 10.296 -24.016 214 1HA GLY 31 1HA GLY 31 17.910 9.566 -26.356 215 2HA GLY 31 2HA GLY 31 18.327 8.812 -24.823 216 H SER 32 H SER 32 16.584 7.279 -24.092 217 HA SER 32 HA SER 32 16.958 4.964 -25.820 218 1HB SER 32 1HB SER 32 16.800 4.657 -23.388 219 2HB SER 32 2HB SER 32 15.049 5.077 -23.511 220 HG SER 32 HG SER 32 15.521 2.837 -23.759 221 H SER 33 H SER 33 14.011 6.764 -24.848 222 HA SER 33 HA SER 33 12.575 7.330 -26.955 223 1HB SER 33 1HB SER 33 12.409 4.379 -26.724 224 2HB SER 33 2HB SER 33 10.837 5.167 -26.858 225 HG SER 33 HG SER 33 11.616 4.877 -28.918 226 H TYR 34 H TYR 34 11.971 5.291 -24.269 227 HA TYR 34 HA TYR 34 9.369 6.234 -23.642 228 1HB TYR 34 1HB TYR 34 11.290 4.794 -21.783 229 2HB TYR 34 2HB TYR 34 9.563 5.041 -21.563 230 HD1 TYR 34 HD1 TYR 34 12.112 3.288 -23.577 231 HD2 TYR 34 HD2 TYR 34 7.895 3.698 -22.739 232 HE1 TYR 34 HE1 TYR 34 11.659 1.318 -24.968 233 HE2 TYR 34 HE2 TYR 34 7.469 1.589 -23.981 234 HH TYR 34 HH TYR 34 9.102 0.438 -26.237 235 HA PRO 35 HA PRO 35 7.941 6.646 -21.766 236 1HB PRO 35 1HB PRO 35 6.369 8.777 -21.117 237 2HB PRO 35 2HB PRO 35 7.159 7.681 -19.972 238 1HG PRO 35 1HG PRO 35 7.902 10.431 -20.672 239 2HG PRO 35 2HG PRO 35 8.202 9.468 -19.188 240 1HD PRO 35 1HD PRO 35 9.996 9.999 -21.405 241 2HD PRO 35 2HD PRO 35 10.356 8.953 -20.016 242 H HIS 36 H HIS 36 5.994 7.225 -22.962 243 HA HIS 36 HA HIS 36 6.338 8.774 -25.392 244 1HB HIS 36 1HB HIS 36 5.976 7.038 -26.967 245 2HB HIS 36 2HB HIS 36 7.529 6.880 -26.141 246 HD1 HIS 36 HD1 HIS 36 5.102 4.717 -27.401 247 HD2 HIS 36 HD2 HIS 36 6.555 5.236 -23.606 248 HE1 HIS 36 HE1 HIS 36 4.934 2.440 -26.225 249 HE2 HIS 36 HE2 HIS 36 5.753 2.912 -23.901 250 H TRP 37 H TRP 37 4.255 8.438 -26.755 251 HA TRP 37 HA TRP 37 1.960 8.795 -24.966 252 1HB TRP 37 1HB TRP 37 2.147 10.073 -27.072 253 2HB TRP 37 2HB TRP 37 2.333 8.542 -27.951 254 HD1 TRP 37 HD1 TRP 37 -0.495 9.444 -25.524 255 HE1 TRP 37 HE1 TRP 37 -2.704 9.127 -26.748 256 HE3 TRP 37 HE3 TRP 37 1.416 8.316 -30.062 257 HZ2 TRP 37 HZ2 TRP 37 -3.516 8.428 -29.452 258 HZ3 TRP 37 HZ3 TRP 37 -0.115 7.739 -31.985 259 HH2 TRP 37 HH2 TRP 37 -2.560 7.647 -31.585 260 H PHE 38 H PHE 38 0.345 7.646 -24.829 261 HA PHE 38 HA PHE 38 0.319 4.754 -25.370 262 1HB PHE 38 1HB PHE 38 0.774 5.281 -22.974 263 2HB PHE 38 2HB PHE 38 -0.650 6.315 -22.964 264 HD1 PHE 38 HD1 PHE 38 -0.094 2.839 -24.364 265 HD2 PHE 38 HD2 PHE 38 -2.494 5.473 -21.932 266 HE1 PHE 38 HE1 PHE 38 -1.779 1.072 -23.975 267 HE2 PHE 38 HE2 PHE 38 -3.978 3.675 -21.376 268 HZ PHE 38 HZ PHE 38 -3.683 1.492 -22.345 269 H THR 39 H THR 39 -0.530 5.482 -27.243 270 HA THR 39 HA THR 39 -2.965 6.484 -27.984 271 HB THR 39 HB THR 39 -3.400 4.573 -29.508 272 HG1 THR 39 HG1 THR 39 -1.210 3.375 -28.325 273 1HG2 THR 39 1HG2 THR 39 -0.524 4.363 -29.989 274 2HG2 THR 39 2HG2 THR 39 -1.751 5.360 -30.791 275 3HG2 THR 39 3HG2 THR 39 -0.867 5.972 -29.368 276 H ASN 40 H ASN 40 -2.635 3.683 -25.909 277 HA ASN 40 HA ASN 40 -4.286 2.497 -24.635 278 1HB ASN 40 1HB ASN 40 -4.362 4.886 -23.710 279 2HB ASN 40 2HB ASN 40 -5.711 5.217 -24.712 280 1HD2 ASN 40 1HD2 ASN 40 -7.167 5.620 -22.848 281 2HD2 ASN 40 2HD2 ASN 40 -7.737 4.173 -22.038 282 H GLY 41 H GLY 41 -4.609 2.879 -27.643 283 1HA GLY 41 1HA GLY 41 -6.130 1.288 -28.833 284 2HA GLY 41 2HA GLY 41 -7.420 1.857 -27.802 285 H TYR 42 H TYR 42 -6.645 4.725 -27.922 286 HA TYR 42 HA TYR 42 -8.156 5.778 -30.035 287 1HB TYR 42 1HB TYR 42 -5.826 7.135 -28.528 288 2HB TYR 42 2HB TYR 42 -6.986 7.920 -29.527 289 HD1 TYR 42 HD1 TYR 42 -9.308 7.837 -29.109 290 HD2 TYR 42 HD2 TYR 42 -6.505 6.804 -26.050 291 HE1 TYR 42 HE1 TYR 42 -11.015 8.413 -27.310 292 HE2 TYR 42 HE2 TYR 42 -8.228 7.140 -24.317 293 HH TYR 42 HH TYR 42 -10.644 8.058 -23.943 294 H ASP 43 H ASP 43 -7.529 6.986 -31.872 295 HA ASP 43 HA ASP 43 -5.317 5.713 -33.418 296 1HB ASP 43 1HB ASP 43 -7.754 7.239 -34.004 297 2HB ASP 43 2HB ASP 43 -6.399 7.795 -34.945 298 H GLY 44 H GLY 44 -6.001 8.758 -32.026 299 1HA GLY 44 1HA GLY 44 -3.262 9.728 -31.863 300 2HA GLY 44 2HA GLY 44 -4.058 10.449 -33.231 301 H ASP 45 H ASP 45 -6.246 11.388 -32.587 302 HA ASP 45 HA ASP 45 -6.141 12.930 -30.014 303 1HB ASP 45 1HB ASP 45 -6.419 13.781 -32.846 304 2HB ASP 45 2HB ASP 45 -7.794 14.285 -31.900 305 H GLY 46 H GLY 46 -8.430 12.263 -32.468 306 1HA GLY 46 1HA GLY 46 -10.820 12.414 -30.912 307 2HA GLY 46 2HA GLY 46 -10.680 11.643 -32.509 308 H LYS 47 H LYS 47 -12.312 10.250 -31.438 309 HA LYS 47 HA LYS 47 -11.470 8.339 -29.432 310 1HB LYS 47 1HB LYS 47 -13.410 7.085 -29.911 311 2HB LYS 47 2HB LYS 47 -13.842 8.779 -30.036 312 1HG LYS 47 1HG LYS 47 -13.830 8.776 -32.417 313 2HG LYS 47 2HG LYS 47 -12.957 7.247 -32.538 314 1HD LYS 47 1HD LYS 47 -14.731 5.959 -31.709 315 2HD LYS 47 2HD LYS 47 -15.690 7.417 -31.295 316 1HE LYS 47 1HE LYS 47 -15.686 8.093 -33.642 317 2HE LYS 47 2HE LYS 47 -14.750 6.661 -34.099 318 1HZ LYS 47 1HZ LYS 47 -17.372 6.654 -34.194 319 2HZ LYS 47 2HZ LYS 47 -16.553 5.300 -33.698 320 3HZ LYS 47 3HZ LYS 47 -17.238 6.305 -32.595 321 H LEU 48 H LEU 48 -11.929 5.931 -30.300 322 HA LEU 48 HA LEU 48 -9.369 5.272 -31.630 323 1HB LEU 48 1HB LEU 48 -10.925 3.044 -30.691 324 2HB LEU 48 2HB LEU 48 -9.262 3.611 -30.376 325 HG LEU 48 HG LEU 48 -10.378 5.247 -28.685 326 1HD1 LEU 48 1HD1 LEU 48 -12.504 3.135 -28.347 327 2HD1 LEU 48 2HD1 LEU 48 -12.639 4.905 -28.195 328 3HD1 LEU 48 3HD1 LEU 48 -12.713 4.101 -29.778 329 1HD2 LEU 48 1HD2 LEU 48 -9.086 2.932 -28.461 330 2HD2 LEU 48 2HD2 LEU 48 -9.615 3.917 -27.136 331 3HD2 LEU 48 3HD2 LEU 48 -10.552 2.468 -27.702 332 HA PRO 49 HA PRO 49 -10.887 3.901 -35.400 333 1HB PRO 49 1HB PRO 49 -9.884 1.327 -35.758 334 2HB PRO 49 2HB PRO 49 -9.005 2.870 -35.998 335 1HG PRO 49 1HG PRO 49 -8.715 0.926 -33.778 336 2HG PRO 49 2HG PRO 49 -7.559 2.137 -34.398 337 1HD PRO 49 1HD PRO 49 -9.242 2.318 -32.147 338 2HD PRO 49 2HD PRO 49 -8.214 3.606 -32.819 339 H LYS 50 H LYS 50 -12.301 2.311 -36.425 340 HA LYS 50 HA LYS 50 -14.606 1.493 -34.858 341 1HB LYS 50 1HB LYS 50 -15.143 2.111 -36.973 342 2HB LYS 50 2HB LYS 50 -13.828 1.236 -37.724 343 1HG LYS 50 1HG LYS 50 -14.861 -0.827 -37.656 344 2HG LYS 50 2HG LYS 50 -15.990 -0.386 -36.372 345 1HD LYS 50 1HD LYS 50 -16.233 0.985 -39.053 346 2HD LYS 50 2HD LYS 50 -16.629 -0.731 -38.926 347 1HE LYS 50 1HE LYS 50 -18.669 0.387 -38.499 348 2HE LYS 50 2HE LYS 50 -18.076 -0.309 -36.984 349 1HZ LYS 50 1HZ LYS 50 -18.826 1.966 -36.639 350 2HZ LYS 50 2HZ LYS 50 -17.194 1.881 -36.407 351 3HZ LYS 50 3HZ LYS 50 -17.799 2.521 -37.799 352 H GLY 51 H GLY 51 -13.881 0.212 -33.302 353 1HA GLY 51 1HA GLY 51 -14.239 -2.258 -32.567 354 2HA GLY 51 2HA GLY 51 -13.288 -2.661 -33.976 355 H ARG 52 H ARG 52 -13.140 -0.833 -30.960 356 HA ARG 52 HA ARG 52 -10.531 -2.024 -30.406 357 1HB ARG 52 1HB ARG 52 -9.948 0.086 -31.586 358 2HB ARG 52 2HB ARG 52 -10.996 0.975 -30.481 359 1HG ARG 52 1HG ARG 52 -8.654 1.259 -30.015 360 2HG ARG 52 2HG ARG 52 -9.428 0.555 -28.620 361 1HD ARG 52 1HD ARG 52 -8.023 -1.217 -28.697 362 2HD ARG 52 2HD ARG 52 -8.501 -1.587 -30.380 363 HE ARG 52 HE ARG 52 -6.791 0.604 -30.525 364 1HH1 ARG 52 2HH2 ARG 52 -6.541 -2.696 -29.478 365 2HH1 ARG 52 1HH2 ARG 52 -4.824 -2.802 -29.777 366 1HH2 ARG 52 2HH1 ARG 52 -4.700 0.473 -30.941 367 2HH2 ARG 52 1HH1 ARG 52 -3.818 -1.020 -30.653 368 H THR 53 H THR 53 -10.002 -1.925 -28.237 369 HA THR 53 HA THR 53 -12.137 -1.093 -26.304 370 HB THR 53 HB THR 53 -10.723 -3.733 -26.454 371 HG1 THR 53 HG1 THR 53 -12.701 -3.021 -27.577 372 1HG2 THR 53 1HG2 THR 53 -12.561 -3.734 -24.304 373 2HG2 THR 53 2HG2 THR 53 -10.782 -3.817 -24.228 374 3HG2 THR 53 3HG2 THR 53 -11.610 -2.262 -24.035 375 HA PRO 54 HA PRO 54 -8.319 0.934 -24.912 376 1HB PRO 54 1HB PRO 54 -9.561 3.037 -23.540 377 2HB PRO 54 2HB PRO 54 -9.171 3.111 -25.253 378 1HG PRO 54 1HG PRO 54 -11.833 2.726 -24.033 379 2HG PRO 54 2HG PRO 54 -11.387 3.356 -25.620 380 1HD PRO 54 1HD PRO 54 -12.237 0.704 -24.929 381 2HD PRO 54 2HD PRO 54 -11.695 1.232 -26.549 382 H ILE 55 H ILE 55 -7.400 1.155 -22.913 383 HA ILE 55 HA ILE 55 -8.231 -0.878 -21.014 384 HB ILE 55 HB ILE 55 -6.148 1.248 -20.631 385 1HG1 ILE 55 1HG1 ILE 55 -6.072 -1.412 -22.123 386 2HG1 ILE 55 2HG1 ILE 55 -5.478 0.166 -22.634 387 1HG2 ILE 55 1HG2 ILE 55 -5.906 -1.446 -19.435 388 2HG2 ILE 55 2HG2 ILE 55 -5.628 0.153 -18.699 389 3HG2 ILE 55 3HG2 ILE 55 -7.252 -0.521 -18.780 390 1HD1 ILE 55 1HD1 ILE 55 -4.134 -1.871 -20.915 391 2HD1 ILE 55 2HD1 ILE 55 -3.473 -0.804 -22.166 392 3HD1 ILE 55 3HD1 ILE 55 -3.884 -0.135 -20.591 393 H LYS 56 H LYS 56 -9.852 -0.585 -19.687 394 HA LYS 56 HA LYS 56 -10.843 2.123 -18.967 395 1HB LYS 56 1HB LYS 56 -12.449 0.373 -19.556 396 2HB LYS 56 2HB LYS 56 -11.835 -0.644 -18.255 397 1HG LYS 56 1HG LYS 56 -13.736 0.257 -17.240 398 2HG LYS 56 2HG LYS 56 -12.523 1.362 -16.653 399 1HD LYS 56 1HD LYS 56 -14.190 2.782 -17.336 400 2HD LYS 56 2HD LYS 56 -13.105 2.848 -18.730 401 1HE LYS 56 1HE LYS 56 -14.570 1.861 -20.114 402 2HE LYS 56 2HE LYS 56 -14.977 0.605 -18.947 403 1HZ LYS 56 1HZ LYS 56 -16.831 2.208 -19.561 404 2HZ LYS 56 2HZ LYS 56 -16.586 2.005 -17.948 405 3HZ LYS 56 3HZ LYS 56 -16.032 3.359 -18.715 406 H PHE 57 H PHE 57 -10.323 3.063 -17.296 407 HA PHE 57 HA PHE 57 -8.965 1.818 -14.889 408 1HB PHE 57 1HB PHE 57 -8.881 4.739 -15.600 409 2HB PHE 57 2HB PHE 57 -7.798 3.797 -14.585 410 HD1 PHE 57 HD1 PHE 57 -8.700 4.739 -18.059 411 HD2 PHE 57 HD2 PHE 57 -6.170 2.206 -15.646 412 HE1 PHE 57 HE1 PHE 57 -7.131 4.593 -19.882 413 HE2 PHE 57 HE2 PHE 57 -4.624 1.965 -17.577 414 HZ PHE 57 HZ PHE 57 -5.138 3.139 -19.701 415 H GLY 58 H GLY 58 -11.483 4.056 -15.801 416 1HA GLY 58 1HA GLY 58 -13.621 4.300 -14.516 417 2HA GLY 58 2HA GLY 58 -12.698 3.987 -13.046 418 H LYS 59 H LYS 59 -10.779 5.932 -14.919 419 HA LYS 59 HA LYS 59 -11.756 8.402 -13.559 420 1HB LYS 59 1HB LYS 59 -9.044 7.230 -14.131 421 2HB LYS 59 2HB LYS 59 -9.177 8.876 -14.649 422 1HG LYS 59 1HG LYS 59 -9.872 7.777 -11.890 423 2HG LYS 59 2HG LYS 59 -8.421 8.693 -12.281 424 1HD LYS 59 1HD LYS 59 -9.521 10.620 -11.756 425 2HD LYS 59 2HD LYS 59 -10.579 10.362 -13.121 426 1HE LYS 59 1HE LYS 59 -12.138 10.560 -11.556 427 2HE LYS 59 2HE LYS 59 -11.945 8.801 -11.610 428 1HZ LYS 59 1HZ LYS 59 -11.864 9.504 -9.308 429 2HZ LYS 59 2HZ LYS 59 -10.320 9.108 -9.750 430 3HZ LYS 59 3HZ LYS 59 -10.761 10.683 -9.653 431 H SER 60 H SER 60 -12.220 10.121 -14.576 432 HA SER 60 HA SER 60 -13.032 9.930 -17.374 433 1HB SER 60 1HB SER 60 -13.890 12.122 -17.196 434 2HB SER 60 2HB SER 60 -14.403 11.204 -15.771 435 HG SER 60 HG SER 60 -12.728 12.317 -14.608 436 H ASP 61 H ASP 61 -10.040 10.710 -15.874 437 HA ASP 61 HA ASP 61 -9.027 12.589 -17.902 438 1HB ASP 61 1HB ASP 61 -7.115 11.261 -16.096 439 2HB ASP 61 2HB ASP 61 -7.288 12.949 -16.501 440 H CYS 62 H CYS 62 -8.384 9.262 -16.798 441 HA CYS 62 HA CYS 62 -6.757 8.680 -19.123 442 1HB CYS 62 1HB CYS 62 -7.968 6.631 -17.264 443 2HB CYS 62 2HB CYS 62 -6.472 6.506 -18.161 444 H ASP 63 H ASP 63 -9.976 8.614 -18.575 445 HA ASP 63 HA ASP 63 -10.825 6.812 -20.848 446 1HB ASP 63 1HB ASP 63 -12.099 6.875 -18.730 447 2HB ASP 63 2HB ASP 63 -12.386 8.604 -19.005 448 H ARG 64 H ARG 64 -10.439 10.309 -20.027 449 HA ARG 64 HA ARG 64 -11.893 11.230 -22.210 450 1HB ARG 64 1HB ARG 64 -11.356 13.120 -21.305 451 2HB ARG 64 2HB ARG 64 -10.150 12.322 -20.272 452 1HG ARG 64 1HG ARG 64 -8.371 12.683 -21.820 453 2HG ARG 64 2HG ARG 64 -9.482 13.605 -22.861 454 1HD ARG 64 1HD ARG 64 -7.918 14.514 -20.630 455 2HD ARG 64 2HD ARG 64 -8.770 15.364 -21.936 456 HE ARG 64 HE ARG 64 -9.904 14.834 -19.295 457 1HH1 ARG 64 2HH2 ARG 64 -10.713 15.643 -22.530 458 2HH1 ARG 64 1HH2 ARG 64 -12.219 16.403 -22.084 459 1HH2 ARG 64 2HH1 ARG 64 -11.765 15.642 -18.812 460 2HH2 ARG 64 1HH1 ARG 64 -12.822 16.373 -19.997 461 HA PRO 65 HA PRO 65 -9.614 10.415 -25.798 462 1HB PRO 65 1HB PRO 65 -10.064 12.649 -27.369 463 2HB PRO 65 2HB PRO 65 -11.123 11.221 -27.149 464 1HG PRO 65 1HG PRO 65 -11.473 13.959 -26.024 465 2HG PRO 65 2HG PRO 65 -12.681 12.676 -26.322 466 1HD PRO 65 1HD PRO 65 -11.386 13.368 -23.890 467 2HD PRO 65 2HD PRO 65 -12.557 12.040 -24.165 468 HA PRO 66 HA PRO 66 -5.662 12.677 -25.009 469 1HB PRO 66 1HB PRO 66 -4.190 11.455 -27.046 470 2HB PRO 66 2HB PRO 66 -4.589 10.681 -25.476 471 1HG PRO 66 1HG PRO 66 -5.656 9.959 -28.080 472 2HG PRO 66 2HG PRO 66 -5.527 9.078 -26.538 473 1HD PRO 66 1HD PRO 66 -7.814 10.430 -27.546 474 2HD PRO 66 2HD PRO 66 -7.585 9.629 -25.936 475 H LYS 67 H LYS 67 -3.968 13.900 -26.351 476 HA LYS 67 HA LYS 67 -5.204 15.178 -28.710 477 1HB LYS 67 1HB LYS 67 -5.227 16.431 -26.157 478 2HB LYS 67 2HB LYS 67 -4.301 17.446 -27.218 479 1HG LYS 67 1HG LYS 67 -6.908 16.392 -28.364 480 2HG LYS 67 2HG LYS 67 -7.011 17.593 -27.087 481 1HD LYS 67 1HD LYS 67 -5.633 19.158 -28.259 482 2HD LYS 67 2HD LYS 67 -5.260 17.965 -29.529 483 1HE LYS 67 1HE LYS 67 -7.534 17.864 -30.235 484 2HE LYS 67 2HE LYS 67 -8.099 18.890 -28.922 485 1HZ LYS 67 1HZ LYS 67 -6.122 19.715 -30.954 486 2HZ LYS 67 2HZ LYS 67 -7.717 19.960 -31.188 487 3HZ LYS 67 3HZ LYS 67 -6.952 20.733 -29.942 488 H HIS 68 H HIS 68 -3.546 13.649 -29.264 489 HA HIS 68 HA HIS 68 -0.730 14.478 -29.264 490 1HB HIS 68 1HB HIS 68 -1.265 12.073 -28.931 491 2HB HIS 68 2HB HIS 68 -1.911 12.051 -30.563 492 HD1 HIS 68 HD1 HIS 68 -0.113 12.149 -32.509 493 HD2 HIS 68 HD2 HIS 68 1.336 12.379 -28.617 494 HE1 HIS 68 HE1 HIS 68 2.507 11.804 -32.669 495 HE2 HIS 68 HE2 HIS 68 3.353 11.842 -30.260 496 H SER 69 H SER 69 0.620 14.778 -30.840 497 HA SER 69 HA SER 69 -0.584 15.707 -33.387 498 1HB SER 69 1HB SER 69 -0.367 17.585 -31.360 499 2HB SER 69 2HB SER 69 0.982 17.951 -32.467 500 HG SER 69 HG SER 69 -1.465 18.608 -32.789 501 H LYS 70 H LYS 70 1.426 17.120 -34.452 502 HA LYS 70 HA LYS 70 3.497 15.002 -34.830 503 1HB LYS 70 1HB LYS 70 2.231 16.946 -36.525 504 2HB LYS 70 2HB LYS 70 3.921 17.354 -36.483 505 1HG LYS 70 1HG LYS 70 2.948 14.516 -36.886 506 2HG LYS 70 2HG LYS 70 3.207 15.671 -38.219 507 1HD LYS 70 1HD LYS 70 5.567 15.977 -37.529 508 2HD LYS 70 2HD LYS 70 5.352 14.872 -36.176 509 1HE LYS 70 1HE LYS 70 5.974 13.221 -37.489 510 2HE LYS 70 2HE LYS 70 4.383 13.337 -38.236 511 1HZ LYS 70 1HZ LYS 70 6.401 13.466 -39.782 512 2HZ LYS 70 2HZ LYS 70 5.297 14.671 -39.982 513 3HZ LYS 70 3HZ LYS 70 6.688 14.955 -39.160 514 H ASP 71 H ASP 71 4.113 15.307 -32.571 515 HA ASP 71 HA ASP 71 6.629 16.773 -32.335 516 1HB ASP 71 1HB ASP 71 4.285 18.354 -31.641 517 2HB ASP 71 2HB ASP 71 5.154 17.985 -30.186 518 H GLY 72 H GLY 72 3.942 15.558 -30.530 519 1HA GLY 72 1HA GLY 72 4.409 13.366 -29.433 520 2HA GLY 72 2HA GLY 72 5.733 14.161 -28.579 521 H ASN 73 H ASN 73 4.824 16.404 -27.663 522 HA ASN 73 HA ASN 73 2.418 15.927 -25.986 523 1HB ASN 73 1HB ASN 73 3.578 17.674 -24.518 524 2HB ASN 73 2HB ASN 73 4.280 16.119 -24.506 525 1HD2 ASN 73 1HD2 ASN 73 6.038 15.854 -26.217 526 2HD2 ASN 73 2HD2 ASN 73 7.144 17.240 -26.313 527 H GLY 74 H GLY 74 3.371 17.602 -28.546 528 1HA GLY 74 1HA GLY 74 2.928 19.600 -29.636 529 2HA GLY 74 2HA GLY 74 1.262 19.135 -29.293 530 H LYS 75 H LYS 75 0.245 20.753 -28.583 531 HA LYS 75 HA LYS 75 1.376 22.939 -26.912 532 1HB LYS 75 1HB LYS 75 -1.392 22.264 -27.967 533 2HB LYS 75 2HB LYS 75 -1.274 23.332 -26.592 534 1HG LYS 75 1HG LYS 75 0.627 24.451 -28.250 535 2HG LYS 75 2HG LYS 75 -0.533 23.812 -29.435 536 1HD LYS 75 1HD LYS 75 -2.352 25.007 -28.173 537 2HD LYS 75 2HD LYS 75 -1.110 25.594 -27.031 538 1HE LYS 75 1HE LYS 75 0.082 26.685 -28.909 539 2HE LYS 75 2HE LYS 75 -1.201 26.179 -30.010 540 1HZ LYS 75 1HZ LYS 75 -2.767 27.512 -28.669 541 2HZ LYS 75 2HZ LYS 75 -1.564 27.961 -27.647 542 3HZ LYS 75 3HZ LYS 75 -1.549 28.474 -29.202 543 H THR 76 H THR 76 -1.336 21.023 -25.955 544 HA THR 76 HA THR 76 -0.020 20.697 -23.281 545 HB THR 76 HB THR 76 -1.920 22.527 -23.505 546 HG1 THR 76 HG1 THR 76 -1.527 20.735 -21.393 547 1HG2 THR 76 1HG2 THR 76 -3.821 20.654 -24.003 548 2HG2 THR 76 2HG2 THR 76 -3.777 20.505 -22.234 549 3HG2 THR 76 3HG2 THR 76 -4.122 22.046 -22.968 550 H ASP 77 H ASP 77 -0.202 18.778 -25.511 551 HA ASP 77 HA ASP 77 -2.234 17.037 -25.906 552 1HB ASP 77 1HB ASP 77 -0.012 16.983 -26.815 553 2HB ASP 77 2HB ASP 77 0.545 16.277 -25.275 554 H HIS 78 H HIS 78 -3.583 16.479 -24.440 555 HA HIS 78 HA HIS 78 -2.648 15.764 -21.675 556 1HB HIS 78 1HB HIS 78 -5.054 15.794 -21.019 557 2HB HIS 78 2HB HIS 78 -4.339 17.337 -21.493 558 HD1 HIS 78 HD1 HIS 78 -6.653 14.634 -22.659 559 HD2 HIS 78 HD2 HIS 78 -5.083 18.278 -23.865 560 HE1 HIS 78 HE1 HIS 78 -8.306 15.506 -24.475 561 HE2 HIS 78 HE2 HIS 78 -7.294 17.697 -25.304 562 H TYR 79 H TYR 79 -2.507 14.154 -24.105 563 HA TYR 79 HA TYR 79 -3.885 11.677 -23.947 564 1HB TYR 79 1HB TYR 79 -2.136 10.852 -25.294 565 2HB TYR 79 2HB TYR 79 -2.490 12.395 -25.863 566 HD1 TYR 79 HD1 TYR 79 -0.032 11.550 -26.860 567 HD2 TYR 79 HD2 TYR 79 -0.523 13.452 -23.037 568 HE1 TYR 79 HE1 TYR 79 2.302 12.139 -26.784 569 HE2 TYR 79 HE2 TYR 79 1.572 14.413 -23.211 570 HH TYR 79 HH TYR 79 3.406 14.186 -25.928 571 H LEU 80 H LEU 80 -2.873 9.705 -23.503 572 HA LEU 80 HA LEU 80 -1.793 9.790 -20.775 573 1HB LEU 80 1HB LEU 80 -2.811 7.580 -22.518 574 2HB LEU 80 2HB LEU 80 -2.005 7.350 -20.951 575 HG LEU 80 HG LEU 80 -3.982 9.439 -20.579 576 1HD1 LEU 80 1HD1 LEU 80 -5.119 8.440 -22.627 577 2HD1 LEU 80 2HD1 LEU 80 -5.286 6.941 -21.653 578 3HD1 LEU 80 3HD1 LEU 80 -6.047 8.463 -21.134 579 1HD2 LEU 80 1HD2 LEU 80 -3.098 7.878 -18.943 580 2HD2 LEU 80 2HD2 LEU 80 -4.874 7.794 -19.056 581 3HD2 LEU 80 3HD2 LEU 80 -3.888 6.525 -19.805 582 H LEU 81 H LEU 81 0.296 8.914 -20.301 583 HA LEU 81 HA LEU 81 1.941 8.051 -22.630 584 1HB LEU 81 1HB LEU 81 2.773 9.841 -20.346 585 2HB LEU 81 2HB LEU 81 3.889 9.275 -21.531 586 HG LEU 81 HG LEU 81 1.559 10.689 -22.713 587 1HD1 LEU 81 1HD1 LEU 81 3.117 11.967 -20.580 588 2HD1 LEU 81 2HD1 LEU 81 2.944 12.899 -22.058 589 3HD1 LEU 81 3HD1 LEU 81 1.490 12.278 -21.277 590 1HD2 LEU 81 1HD2 LEU 81 2.882 10.757 -24.384 591 2HD2 LEU 81 2HD2 LEU 81 3.992 11.843 -23.472 592 3HD2 LEU 81 3HD2 LEU 81 4.296 10.164 -23.489 593 H GLU 82 H GLU 82 2.985 6.307 -22.333 594 HA GLU 82 HA GLU 82 2.819 4.988 -19.708 595 1HB GLU 82 1HB GLU 82 3.286 2.929 -20.758 596 2HB GLU 82 2HB GLU 82 1.935 3.690 -21.630 597 1HG GLU 82 1HG GLU 82 4.841 3.651 -22.536 598 2HG GLU 82 2HG GLU 82 3.756 2.350 -22.736 599 H PHE 83 H PHE 83 4.607 4.015 -18.744 600 HA PHE 83 HA PHE 83 7.318 4.684 -19.895 601 1HB PHE 83 1HB PHE 83 6.490 6.445 -18.332 602 2HB PHE 83 2HB PHE 83 6.454 5.191 -17.097 603 HD1 PHE 83 HD1 PHE 83 8.179 4.846 -15.672 604 HD2 PHE 83 HD2 PHE 83 8.928 6.386 -19.670 605 HE1 PHE 83 HE1 PHE 83 10.572 5.190 -15.168 606 HE2 PHE 83 HE2 PHE 83 11.274 6.811 -19.073 607 HZ PHE 83 HZ PHE 83 11.995 6.185 -16.703 608 HA PRO 84 HA PRO 84 7.972 0.429 -18.404 609 1HB PRO 84 1HB PRO 84 10.601 0.188 -19.098 610 2HB PRO 84 2HB PRO 84 9.208 -0.075 -20.211 611 1HG PRO 84 1HG PRO 84 11.121 2.154 -20.078 612 2HG PRO 84 2HG PRO 84 10.065 1.610 -21.408 613 1HD PRO 84 1HD PRO 84 9.680 3.791 -19.589 614 2HD PRO 84 2HD PRO 84 8.462 3.130 -20.778 615 H THR 85 H THR 85 7.714 0.632 -16.390 616 HA THR 85 HA THR 85 9.867 1.632 -14.637 617 HB THR 85 HB THR 85 7.887 2.662 -14.051 618 HG1 THR 85 HG1 THR 85 9.200 1.971 -12.410 619 1HG2 THR 85 1HG2 THR 85 6.023 0.774 -13.103 620 2HG2 THR 85 2HG2 THR 85 5.947 1.736 -14.610 621 3HG2 THR 85 3HG2 THR 85 6.552 0.075 -14.615 622 H PHE 86 H PHE 86 11.286 0.263 -14.097 623 HA PHE 86 HA PHE 86 10.796 -2.608 -14.016 624 1HB PHE 86 1HB PHE 86 13.238 -0.999 -13.189 625 2HB PHE 86 2HB PHE 86 13.166 -2.751 -13.358 626 HD1 PHE 86 HD1 PHE 86 12.876 0.430 -15.260 627 HD2 PHE 86 HD2 PHE 86 13.233 -3.889 -15.490 628 HE1 PHE 86 HE1 PHE 86 13.267 0.516 -17.694 629 HE2 PHE 86 HE2 PHE 86 13.856 -3.671 -17.887 630 HZ PHE 86 HZ PHE 86 14.017 -1.375 -18.907 631 HA PRO 87 HA PRO 87 9.893 -3.025 -9.675 632 1HB PRO 87 1HB PRO 87 10.983 -5.489 -9.105 633 2HB PRO 87 2HB PRO 87 9.424 -5.163 -9.944 634 1HG PRO 87 1HG PRO 87 11.975 -6.170 -11.114 635 2HG PRO 87 2HG PRO 87 10.278 -6.329 -11.660 636 1HD PRO 87 1HD PRO 87 12.260 -4.501 -12.533 637 2HD PRO 87 2HD PRO 87 10.535 -4.577 -13.031 638 H ASP 88 H ASP 88 13.240 -3.928 -10.568 639 HA ASP 88 HA ASP 88 14.719 -3.846 -8.193 640 1HB ASP 88 1HB ASP 88 15.734 -2.390 -10.602 641 2HB ASP 88 2HB ASP 88 16.618 -3.417 -9.504 642 H GLY 89 H GLY 89 13.255 -1.317 -9.942 643 1HA GLY 89 1HA GLY 89 12.777 0.884 -9.339 644 2HA GLY 89 2HA GLY 89 13.717 0.613 -7.812 645 H HIS 90 H HIS 90 15.257 -0.043 -10.604 646 HA HIS 90 HA HIS 90 17.242 2.042 -10.174 647 1HB HIS 90 1HB HIS 90 18.564 0.951 -11.827 648 2HB HIS 90 2HB HIS 90 17.899 -0.244 -10.758 649 HD1 HIS 90 HD1 HIS 90 17.085 -2.442 -12.050 650 HD2 HIS 90 HD2 HIS 90 16.999 1.120 -14.280 651 HE1 HIS 90 HE1 HIS 90 16.194 -3.103 -14.297 652 HE2 HIS 90 HE2 HIS 90 16.025 -0.955 -15.692 653 H ASP 91 H ASP 91 17.239 3.907 -11.191 654 HA ASP 91 HA ASP 91 15.192 4.971 -13.019 655 1HB ASP 91 1HB ASP 91 16.222 6.479 -11.573 656 2HB ASP 91 2HB ASP 91 17.838 5.901 -11.934 657 H TYR 92 H TYR 92 14.994 3.433 -14.498 658 HA TYR 92 HA TYR 92 16.670 2.229 -16.230 659 1HB TYR 92 1HB TYR 92 14.395 1.898 -16.336 660 2HB TYR 92 2HB TYR 92 13.988 3.554 -16.693 661 HD1 TYR 92 HD1 TYR 92 16.608 1.270 -18.299 662 HD2 TYR 92 HD2 TYR 92 12.942 3.509 -18.802 663 HE1 TYR 92 HE1 TYR 92 16.766 1.020 -20.762 664 HE2 TYR 92 HE2 TYR 92 13.079 3.147 -21.235 665 HH TYR 92 HH TYR 92 14.110 1.422 -22.759 666 H LYS 93 H LYS 93 18.049 2.808 -17.866 667 HA LYS 93 HA LYS 93 18.721 5.628 -18.161 668 1HB LYS 93 1HB LYS 93 20.337 4.767 -19.793 669 2HB LYS 93 2HB LYS 93 20.509 4.244 -18.093 670 1HG LYS 93 1HG LYS 93 19.761 2.038 -18.509 671 2HG LYS 93 2HG LYS 93 18.997 2.452 -20.043 672 1HD LYS 93 1HD LYS 93 21.121 1.152 -20.195 673 2HD LYS 93 2HD LYS 93 20.996 2.628 -21.161 674 1HE LYS 93 1HE LYS 93 22.224 2.945 -18.471 675 2HE LYS 93 2HE LYS 93 23.138 1.973 -19.616 676 1HZ LYS 93 1HZ LYS 93 23.855 4.136 -20.185 677 2HZ LYS 93 2HZ LYS 93 22.565 4.011 -21.204 678 3HZ LYS 93 3HZ LYS 93 22.442 4.843 -19.812 679 H PHE 94 H PHE 94 16.348 5.814 -18.719 680 HA PHE 94 HA PHE 94 15.535 5.364 -21.491 681 1HB PHE 94 1HB PHE 94 13.673 6.810 -20.995 682 2HB PHE 94 2HB PHE 94 13.772 5.392 -19.991 683 HD1 PHE 94 HD1 PHE 94 14.123 5.432 -17.731 684 HD2 PHE 94 HD2 PHE 94 14.149 9.137 -19.880 685 HE1 PHE 94 HE1 PHE 94 14.103 6.596 -15.611 686 HE2 PHE 94 HE2 PHE 94 14.191 10.367 -17.710 687 HZ PHE 94 HZ PHE 94 14.210 9.055 -15.539 688 H ASP 95 H ASP 95 17.123 7.910 -19.705 689 HA ASP 95 HA ASP 95 16.933 10.048 -21.747 690 1HB ASP 95 1HB ASP 95 17.018 10.724 -19.500 691 2HB ASP 95 2HB ASP 95 18.347 9.656 -19.110 692 H SER 96 H SER 96 19.192 7.580 -20.807 693 HA SER 96 HA SER 96 21.336 8.669 -22.502 694 1HB SER 96 1HB SER 96 21.516 7.123 -20.329 695 2HB SER 96 2HB SER 96 21.467 5.826 -21.554 696 HG SER 96 HG SER 96 23.178 7.955 -21.993 697 H LYS 97 H LYS 97 20.793 8.642 -24.586 698 HA LYS 97 HA LYS 97 19.385 6.608 -25.971 699 1HB LYS 97 1HB LYS 97 19.894 7.679 -27.968 700 2HB LYS 97 2HB LYS 97 20.165 8.967 -26.798 701 1HG LYS 97 1HG LYS 97 22.610 8.475 -26.847 702 2HG LYS 97 2HG LYS 97 22.327 7.215 -28.073 703 1HD LYS 97 1HD LYS 97 21.938 8.550 -29.742 704 2HD LYS 97 2HD LYS 97 21.368 9.929 -28.761 705 1HE LYS 97 1HE LYS 97 23.598 10.393 -27.976 706 2HE LYS 97 2HE LYS 97 24.226 8.873 -28.607 707 1HZ LYS 97 1HZ LYS 97 24.796 10.212 -30.371 708 2HZ LYS 97 2HZ LYS 97 23.232 9.958 -30.817 709 3HZ LYS 97 3HZ LYS 97 23.641 11.337 -30.034 710 H LYS 98 H LYS 98 22.708 6.766 -25.459 711 HA LYS 98 HA LYS 98 22.924 3.897 -25.982 712 1HB LYS 98 1HB LYS 98 23.385 4.623 -28.088 713 2HB LYS 98 2HB LYS 98 24.503 5.874 -27.606 714 1HG LYS 98 1HG LYS 98 26.237 4.474 -27.765 715 2HG LYS 98 2HG LYS 98 25.590 3.359 -26.605 716 1HD LYS 98 1HD LYS 98 24.733 3.235 -29.499 717 2HD LYS 98 2HD LYS 98 26.166 2.434 -28.821 718 1HE LYS 98 1HE LYS 98 24.726 1.333 -27.108 719 2HE LYS 98 2HE LYS 98 23.291 1.945 -27.922 720 1HZ LYS 98 1HZ LYS 98 24.509 -0.416 -28.482 721 2HZ LYS 98 2HZ LYS 98 23.569 0.367 -29.573 722 3HZ LYS 98 3HZ LYS 98 25.201 0.544 -29.610 723 HA PRO 99 HA PRO 99 23.949 2.190 -25.388 724 1HB PRO 99 1HB PRO 99 24.110 0.641 -23.197 725 2HB PRO 99 2HB PRO 99 25.397 0.925 -24.390 726 1HG PRO 99 1HG PRO 99 25.173 1.990 -21.634 727 2HG PRO 99 2HG PRO 99 26.620 1.714 -22.644 728 1HD PRO 99 1HD PRO 99 25.238 4.194 -22.188 729 2HD PRO 99 2HD PRO 99 26.607 3.925 -23.287 730 H LYS 100 H LYS 100 22.065 0.870 -24.603 731 HA LYS 100 HA LYS 100 20.068 2.377 -22.999 732 1HB LYS 100 1HB LYS 100 18.428 2.305 -24.541 733 2HB LYS 100 2HB LYS 100 19.817 2.842 -25.424 734 1HG LYS 100 1HG LYS 100 19.595 1.276 -26.972 735 2HG LYS 100 2HG LYS 100 19.738 -0.037 -25.850 736 1HD LYS 100 1HD LYS 100 17.595 -0.447 -26.599 737 2HD LYS 100 2HD LYS 100 17.269 0.498 -25.170 738 1HE LYS 100 1HE LYS 100 15.884 1.259 -27.013 739 2HE LYS 100 2HE LYS 100 16.954 2.541 -26.440 740 1HZ LYS 100 1HZ LYS 100 18.388 2.191 -28.267 741 2HZ LYS 100 2HZ LYS 100 17.636 0.801 -28.725 742 3HZ LYS 100 3HZ LYS 100 16.884 2.260 -28.923 743 H GLU 101 H GLU 101 18.633 0.976 -21.977 744 HA GLU 101 HA GLU 101 19.418 -1.912 -21.954 745 1HB GLU 101 1HB GLU 101 19.708 -0.717 -19.814 746 2HB GLU 101 2HB GLU 101 18.003 -0.346 -19.746 747 1HG GLU 101 1HG GLU 101 18.649 -2.229 -18.294 748 2HG GLU 101 2HG GLU 101 17.451 -2.701 -19.496 749 H ASN 102 H ASN 102 17.618 -3.362 -21.676 750 HA ASN 102 HA ASN 102 15.598 -3.393 -23.542 751 1HB ASN 102 1HB ASN 102 16.325 -4.963 -21.210 752 2HB ASN 102 2HB ASN 102 14.613 -4.660 -21.128 753 1HD2 ASN 102 1HD2 ASN 102 13.462 -6.407 -22.031 754 2HD2 ASN 102 2HD2 ASN 102 14.129 -7.121 -23.518 755 HA PRO 103 HA PRO 103 12.559 -0.521 -22.122 756 1HB PRO 103 1HB PRO 103 10.271 -1.508 -23.399 757 2HB PRO 103 2HB PRO 103 11.638 -0.691 -24.228 758 1HG PRO 103 1HG PRO 103 11.016 -3.615 -24.243 759 2HG PRO 103 2HG PRO 103 11.819 -2.568 -25.457 760 1HD PRO 103 1HD PRO 103 12.990 -4.222 -23.480 761 2HD PRO 103 2HD PRO 103 13.828 -3.088 -24.605 762 H GLY 104 H GLY 104 10.384 -3.300 -22.149 763 1HA GLY 104 1HA GLY 104 10.363 -4.422 -19.762 764 2HA GLY 104 2HA GLY 104 9.901 -2.824 -19.237 765 HA PRO 105 HA PRO 105 6.188 -4.989 -21.257 766 1HB PRO 105 1HB PRO 105 5.248 -6.696 -19.254 767 2HB PRO 105 2HB PRO 105 6.238 -7.176 -20.668 768 1HG PRO 105 1HG PRO 105 6.944 -6.890 -17.821 769 2HG PRO 105 2HG PRO 105 7.787 -7.805 -19.099 770 1HD PRO 105 1HD PRO 105 8.550 -5.249 -18.048 771 2HD PRO 105 2HD PRO 105 9.243 -6.144 -19.445 772 H ALA 106 H ALA 106 5.958 -4.897 -17.642 773 HA ALA 106 HA ALA 106 3.524 -3.374 -17.628 774 1HB ALA 106 1HB ALA 106 4.352 -4.912 -15.899 775 2HB ALA 106 2HB ALA 106 5.577 -3.642 -15.490 776 3HB ALA 106 3HB ALA 106 3.873 -3.330 -15.277 777 H ARG 107 H ARG 107 3.214 -1.376 -17.595 778 HA ARG 107 HA ARG 107 5.373 0.620 -17.133 779 1HB ARG 107 1HB ARG 107 3.491 0.567 -19.561 780 2HB ARG 107 2HB ARG 107 4.599 1.877 -19.151 781 1HG ARG 107 1HG ARG 107 6.354 -0.245 -19.236 782 2HG ARG 107 2HG ARG 107 5.147 -0.872 -20.274 783 1HD ARG 107 1HD ARG 107 5.792 1.889 -21.063 784 2HD ARG 107 2HD ARG 107 7.261 0.970 -20.784 785 HE ARG 107 HE ARG 107 7.035 -0.210 -22.578 786 1HH1 ARG 107 2HH2 ARG 107 3.900 0.520 -21.588 787 2HH1 ARG 107 1HH2 ARG 107 3.045 -0.074 -22.977 788 1HH2 ARG 107 2HH1 ARG 107 6.134 -1.019 -24.357 789 2HH2 ARG 107 1HH1 ARG 107 4.371 -0.916 -24.578 790 H VAL 108 H VAL 108 4.673 2.630 -16.579 791 HA VAL 108 HA VAL 108 2.043 2.741 -15.156 792 HB VAL 108 HB VAL 108 3.902 3.454 -13.920 793 1HG1 VAL 108 1HG1 VAL 108 5.193 5.516 -14.586 794 2HG1 VAL 108 2HG1 VAL 108 5.608 4.016 -15.383 795 3HG1 VAL 108 3HG1 VAL 108 4.643 5.302 -16.185 796 1HG2 VAL 108 1HG2 VAL 108 1.727 5.364 -14.446 797 2HG2 VAL 108 2HG2 VAL 108 2.534 4.835 -12.962 798 3HG2 VAL 108 3HG2 VAL 108 3.202 6.169 -13.909 799 H ILE 109 H ILE 109 0.367 3.509 -16.119 800 HA ILE 109 HA ILE 109 0.681 5.342 -18.511 801 HB ILE 109 HB ILE 109 -1.268 3.199 -17.817 802 1HG1 ILE 109 1HG1 ILE 109 -0.865 2.492 -20.059 803 2HG1 ILE 109 2HG1 ILE 109 0.088 3.891 -20.479 804 1HG2 ILE 109 1HG2 ILE 109 -1.617 5.399 -19.850 805 2HG2 ILE 109 2HG2 ILE 109 -2.700 3.976 -19.568 806 3HG2 ILE 109 3HG2 ILE 109 -2.604 5.240 -18.377 807 1HD1 ILE 109 1HD1 ILE 109 0.832 1.863 -18.374 808 2HD1 ILE 109 2HD1 ILE 109 1.479 1.799 -20.043 809 3HD1 ILE 109 3HD1 ILE 109 1.895 3.139 -19.026 810 H TYR 110 H TYR 110 0.503 7.282 -17.948 811 HA TYR 110 HA TYR 110 -1.622 8.068 -16.001 812 1HB TYR 110 1HB TYR 110 -0.136 9.710 -15.149 813 2HB TYR 110 2HB TYR 110 0.555 8.120 -14.966 814 HD1 TYR 110 HD1 TYR 110 2.836 7.761 -15.736 815 HD2 TYR 110 HD2 TYR 110 0.604 11.079 -17.298 816 HE1 TYR 110 HE1 TYR 110 4.839 8.625 -16.892 817 HE2 TYR 110 HE2 TYR 110 2.475 11.898 -18.496 818 HH TYR 110 HH TYR 110 5.499 10.175 -18.708 819 H THR 111 H THR 111 -2.584 9.959 -16.421 820 HA THR 111 HA THR 111 -2.794 10.753 -19.216 821 HB THR 111 HB THR 111 -4.640 11.922 -18.705 822 HG1 THR 111 HG1 THR 111 -4.289 13.354 -17.091 823 1HG2 THR 111 1HG2 THR 111 -5.879 10.417 -17.833 824 2HG2 THR 111 2HG2 THR 111 -4.486 9.376 -17.696 825 3HG2 THR 111 3HG2 THR 111 -5.020 10.260 -16.263 826 H TYR 112 H TYR 112 -2.731 13.049 -19.933 827 HA TYR 112 HA TYR 112 -0.540 14.431 -18.420 828 1HB TYR 112 1HB TYR 112 0.124 13.661 -20.369 829 2HB TYR 112 2HB TYR 112 -1.101 14.412 -21.304 830 HD1 TYR 112 HD1 TYR 112 2.138 14.488 -20.362 831 HD2 TYR 112 HD2 TYR 112 -1.044 17.263 -20.966 832 HE1 TYR 112 HE1 TYR 112 3.820 16.322 -20.505 833 HE2 TYR 112 HE2 TYR 112 0.545 19.098 -21.230 834 HH TYR 112 HH TYR 112 2.880 19.634 -21.463 835 HA PRO 113 HA PRO 113 0.534 16.522 -18.316 836 1HB PRO 113 1HB PRO 113 0.559 18.601 -16.576 837 2HB PRO 113 2HB PRO 113 0.699 18.694 -18.352 838 1HG PRO 113 1HG PRO 113 -1.627 19.413 -16.622 839 2HG PRO 113 2HG PRO 113 -1.187 20.004 -18.254 840 1HD PRO 113 1HD PRO 113 -3.146 18.030 -17.576 841 2HD PRO 113 2HD PRO 113 -2.590 18.447 -19.203 842 H ASN 114 H ASN 114 -1.909 17.029 -15.876 843 HA ASN 114 HA ASN 114 -0.610 16.122 -13.516 844 1HB ASN 114 1HB ASN 114 -3.376 16.727 -14.328 845 2HB ASN 114 2HB ASN 114 -3.370 15.192 -13.528 846 1HD2 ASN 114 1HD2 ASN 114 -4.433 17.686 -12.575 847 2HD2 ASN 114 2HD2 ASN 114 -3.582 17.859 -11.021 848 H LYS 115 H LYS 115 0.492 14.287 -13.497 849 HA LYS 115 HA LYS 115 0.019 11.946 -15.037 850 1HB LYS 115 1HB LYS 115 1.949 12.829 -12.873 851 2HB LYS 115 2HB LYS 115 1.829 11.111 -13.156 852 1HG LYS 115 1HG LYS 115 2.932 11.063 -14.963 853 2HG LYS 115 2HG LYS 115 2.108 12.495 -15.675 854 1HD LYS 115 1HD LYS 115 4.281 12.736 -13.615 855 2HD LYS 115 2HD LYS 115 4.653 12.380 -15.335 856 1HE LYS 115 1HE LYS 115 3.660 14.263 -16.174 857 2HE LYS 115 2HE LYS 115 2.618 14.524 -14.807 858 1HZ LYS 115 1HZ LYS 115 4.215 15.807 -13.864 859 2HZ LYS 115 2HZ LYS 115 5.338 14.606 -14.026 860 3HZ LYS 115 3HZ LYS 115 5.108 15.667 -15.255 861 H VAL 116 H VAL 116 -2.237 12.001 -14.361 862 HA VAL 116 HA VAL 116 -3.129 10.953 -11.776 863 HB VAL 116 HB VAL 116 -4.503 11.396 -14.424 864 1HG1 VAL 116 1HG1 VAL 116 -6.616 11.046 -12.771 865 2HG1 VAL 116 2HG1 VAL 116 -5.905 9.758 -13.726 866 3HG1 VAL 116 3HG1 VAL 116 -5.472 9.937 -12.006 867 1HG2 VAL 116 1HG2 VAL 116 -5.629 12.893 -12.193 868 2HG2 VAL 116 2HG2 VAL 116 -3.905 13.232 -12.371 869 3HG2 VAL 116 3HG2 VAL 116 -5.008 13.436 -13.753 870 H PHE 117 H PHE 117 -1.650 9.386 -11.785 871 HA PHE 117 HA PHE 117 -1.022 7.179 -13.191 872 1HB PHE 117 1HB PHE 117 -0.049 7.502 -11.036 873 2HB PHE 117 2HB PHE 117 -1.630 7.443 -10.238 874 HD1 PHE 117 HD1 PHE 117 0.534 5.367 -12.445 875 HD2 PHE 117 HD2 PHE 117 -2.395 5.490 -9.316 876 HE1 PHE 117 HE1 PHE 117 0.677 2.908 -12.248 877 HE2 PHE 117 HE2 PHE 117 -2.257 3.111 -9.047 878 HZ PHE 117 HZ PHE 117 -0.763 1.736 -10.645 879 H CYS 118 H CYS 118 -2.442 6.194 -14.561 880 HA CYS 118 HA CYS 118 -5.142 5.647 -13.709 881 1HB CYS 118 1HB CYS 118 -3.773 4.599 -16.202 882 2HB CYS 118 2HB CYS 118 -5.487 4.857 -15.877 883 H GLY 119 H GLY 119 -2.245 3.837 -14.276 884 1HA GLY 119 1HA GLY 119 -2.325 1.914 -12.392 885 2HA GLY 119 2HA GLY 119 -3.419 1.243 -13.590 886 H ILE 120 H ILE 120 -2.029 -0.433 -14.163 887 HA ILE 120 HA ILE 120 0.499 0.375 -15.417 888 HB ILE 120 HB ILE 120 0.147 -2.040 -13.726 889 1HG1 ILE 120 1HG1 ILE 120 0.283 0.225 -12.381 890 2HG1 ILE 120 2HG1 ILE 120 1.101 -1.244 -11.955 891 1HG2 ILE 120 1HG2 ILE 120 2.696 -0.914 -14.962 892 2HG2 ILE 120 2HG2 ILE 120 2.551 -2.354 -13.958 893 3HG2 ILE 120 3HG2 ILE 120 1.849 -2.294 -15.592 894 1HD1 ILE 120 1HD1 ILE 120 2.287 0.741 -11.580 895 2HD1 ILE 120 2HD1 ILE 120 3.200 -0.451 -12.482 896 3HD1 ILE 120 3HD1 ILE 120 2.500 0.979 -13.332 897 H ILE 121 H ILE 121 0.820 -0.829 -17.304 898 HA ILE 121 HA ILE 121 -1.251 -2.830 -18.049 899 HB ILE 121 HB ILE 121 -1.695 -1.835 -20.107 900 1HG1 ILE 121 1HG1 ILE 121 0.585 0.035 -19.672 901 2HG1 ILE 121 2HG1 ILE 121 0.683 -1.338 -20.747 902 1HG2 ILE 121 1HG2 ILE 121 -1.535 0.448 -18.010 903 2HG2 ILE 121 2HG2 ILE 121 -2.357 0.647 -19.493 904 3HG2 ILE 121 3HG2 ILE 121 -2.905 -0.611 -18.387 905 1HD1 ILE 121 1HD1 ILE 121 -1.172 0.936 -21.192 906 2HD1 ILE 121 2HD1 ILE 121 0.248 0.474 -22.156 907 3HD1 ILE 121 3HD1 ILE 121 -1.195 -0.574 -22.034 908 H ALA 122 H ALA 122 -0.616 -4.290 -19.690 909 HA ALA 122 HA ALA 122 2.057 -4.253 -20.776 910 1HB ALA 122 1HB ALA 122 2.347 -5.030 -18.239 911 2HB ALA 122 2HB ALA 122 1.759 -6.571 -18.908 912 3HB ALA 122 3HB ALA 122 3.239 -5.836 -19.532 913 H HIS 123 H HIS 123 2.528 -6.200 -21.973 914 HA HIS 123 HA HIS 123 0.014 -7.311 -23.101 915 1HB HIS 123 1HB HIS 123 2.826 -7.577 -24.251 916 2HB HIS 123 2HB HIS 123 1.311 -7.914 -25.055 917 HD1 HIS 123 HD1 HIS 123 0.217 -5.852 -26.351 918 HD2 HIS 123 HD2 HIS 123 3.274 -4.873 -23.668 919 HE1 HIS 123 HE1 HIS 123 0.641 -3.383 -26.696 920 HE2 HIS 123 HE2 HIS 123 2.461 -2.726 -25.023 921 H THR 124 H THR 124 -0.546 -8.852 -21.684 922 HA THR 124 HA THR 124 1.416 -11.037 -21.022 923 HB THR 124 HB THR 124 0.026 -9.911 -19.269 924 HG1 THR 124 HG1 THR 124 0.113 -12.704 -19.485 925 1HG2 THR 124 1HG2 THR 124 -2.211 -10.473 -20.601 926 2HG2 THR 124 2HG2 THR 124 -2.118 -12.015 -19.717 927 3HG2 THR 124 3HG2 THR 124 -2.079 -10.535 -18.800 928 H LYS 125 H LYS 125 0.707 -10.941 -23.577 929 HA LYS 125 HA LYS 125 -1.161 -13.275 -24.031 930 1HB LYS 125 1HB LYS 125 -1.727 -11.079 -25.162 931 2HB LYS 125 2HB LYS 125 -0.286 -11.340 -26.148 932 1HG LYS 125 1HG LYS 125 -1.726 -12.460 -27.533 933 2HG LYS 125 2HG LYS 125 -1.483 -13.798 -26.444 934 1HD LYS 125 1HD LYS 125 -3.627 -12.258 -25.299 935 2HD LYS 125 2HD LYS 125 -3.888 -12.316 -27.037 936 1HE LYS 125 1HE LYS 125 -4.778 -14.325 -26.778 937 2HE LYS 125 2HE LYS 125 -3.170 -14.959 -26.442 938 1HZ LYS 125 1HZ LYS 125 -3.573 -14.981 -24.189 939 2HZ LYS 125 2HZ LYS 125 -4.640 -13.734 -24.230 940 3HZ LYS 125 3HZ LYS 125 -5.116 -15.230 -24.701 941 H GLU 126 H GLU 126 2.114 -12.180 -24.451 942 HA GLU 126 HA GLU 126 3.222 -14.738 -24.620 943 1HB GLU 126 1HB GLU 126 2.001 -14.019 -27.078 944 2HB GLU 126 2HB GLU 126 3.676 -13.723 -27.336 945 1HG GLU 126 1HG GLU 126 2.775 -16.319 -26.023 946 2HG GLU 126 2HG GLU 126 2.644 -16.073 -27.762 947 H ASN 127 H ASN 127 4.149 -12.020 -26.486 948 HA ASN 127 HA ASN 127 6.389 -11.198 -24.678 949 1HB ASN 127 1HB ASN 127 7.520 -10.710 -26.969 950 2HB ASN 127 2HB ASN 127 7.477 -12.366 -26.384 951 1HD2 ASN 127 1HD2 ASN 127 6.212 -13.970 -27.586 952 2HD2 ASN 127 2HD2 ASN 127 5.568 -13.490 -29.136 953 H GLN 128 H GLN 128 4.698 -10.047 -27.483 954 HA GLN 128 HA GLN 128 3.758 -7.611 -26.231 955 1HB GLN 128 1HB GLN 128 6.252 -7.755 -27.809 956 2HB GLN 128 2HB GLN 128 5.143 -6.569 -28.446 957 1HG GLN 128 1HG GLN 128 5.013 -6.079 -25.712 958 2HG GLN 128 2HG GLN 128 6.698 -6.511 -25.932 959 1HE2 GLN 128 1HE2 GLN 128 5.963 -4.009 -25.165 960 2HE2 GLN 128 2HE2 GLN 128 6.286 -3.054 -26.640 961 H GLY 129 H GLY 129 1.844 -8.768 -26.723 962 1HA GLY 129 1HA GLY 129 0.872 -8.141 -29.520 963 2HA GLY 129 2HA GLY 129 0.364 -9.574 -28.659 964 H GLU 130 H GLU 130 -1.371 -9.330 -27.330 965 HA GLU 130 HA GLU 130 -3.070 -6.953 -27.498 966 1HB GLU 130 1HB GLU 130 -3.232 -9.713 -26.505 967 2HB GLU 130 2HB GLU 130 -3.858 -8.629 -25.298 968 1HG GLU 130 1HG GLU 130 -4.643 -8.284 -28.206 969 2HG GLU 130 2HG GLU 130 -5.399 -9.555 -27.229 970 H LEU 131 H LEU 131 -3.899 -5.747 -25.609 971 HA LEU 131 HA LEU 131 -1.855 -5.374 -23.510 972 1HB LEU 131 1HB LEU 131 -1.753 -3.663 -25.541 973 2HB LEU 131 2HB LEU 131 -3.188 -3.014 -24.801 974 HG LEU 131 HG LEU 131 -2.058 -2.360 -22.861 975 1HD1 LEU 131 1HD1 LEU 131 -0.004 -4.345 -23.557 976 2HD1 LEU 131 2HD1 LEU 131 0.602 -2.845 -22.800 977 3HD1 LEU 131 3HD1 LEU 131 -0.640 -3.807 -21.999 978 1HD2 LEU 131 1HD2 LEU 131 -1.674 -0.892 -24.712 979 2HD2 LEU 131 2HD2 LEU 131 -0.050 -1.028 -23.975 980 3HD2 LEU 131 3HD2 LEU 131 -0.451 -1.911 -25.444 981 H LYS 132 H LYS 132 -2.585 -5.085 -21.589 982 HA LYS 132 HA LYS 132 -5.440 -4.455 -21.060 983 1HB LYS 132 1HB LYS 132 -5.547 -6.445 -19.574 984 2HB LYS 132 2HB LYS 132 -5.615 -6.790 -21.299 985 1HG LYS 132 1HG LYS 132 -3.639 -7.908 -21.367 986 2HG LYS 132 2HG LYS 132 -2.859 -6.961 -20.123 987 1HD LYS 132 1HD LYS 132 -5.169 -8.509 -19.072 988 2HD LYS 132 2HD LYS 132 -3.958 -9.498 -19.842 989 1HE LYS 132 1HE LYS 132 -2.169 -8.417 -18.449 990 2HE LYS 132 2HE LYS 132 -3.333 -7.312 -17.765 991 1HZ LYS 132 1HZ LYS 132 -4.420 -9.097 -16.644 992 2HZ LYS 132 2HZ LYS 132 -3.535 -10.242 -17.439 993 3HZ LYS 132 3HZ LYS 132 -2.830 -9.272 -16.313 994 H LEU 133 H LEU 133 -5.730 -4.433 -18.713 995 HA LEU 133 HA LEU 133 -3.624 -2.812 -17.409 996 1HB LEU 133 1HB LEU 133 -6.005 -2.064 -17.406 997 2HB LEU 133 2HB LEU 133 -6.454 -3.514 -16.587 998 HG LEU 133 HG LEU 133 -4.726 -2.578 -14.774 999 1HD1 LEU 133 1HD1 LEU 133 -5.319 0.204 -15.284 1000 2HD1 LEU 133 2HD1 LEU 133 -3.788 -0.589 -15.063 1001 3HD1 LEU 133 3HD1 LEU 133 -4.467 -0.460 -16.681 1002 1HD2 LEU 133 1HD2 LEU 133 -6.462 -1.887 -13.539 1003 2HD2 LEU 133 2HD2 LEU 133 -7.179 -0.868 -14.821 1004 3HD2 LEU 133 3HD2 LEU 133 -7.414 -2.615 -14.832 1005 H CYS 134 H CYS 134 -2.506 -3.471 -15.715 1006 HA CYS 134 HA CYS 134 -2.202 -6.273 -14.962 1007 1HB CYS 134 1HB CYS 134 -1.222 -3.768 -13.589 1008 2HB CYS 134 2HB CYS 134 -0.566 -5.361 -13.392 1009 H SER 135 H SER 135 -2.020 -6.589 -12.498 1010 HA SER 135 HA SER 135 -4.403 -5.557 -11.026 1011 1HB SER 135 1HB SER 135 -5.457 -7.657 -10.757 1012 2HB SER 135 2HB SER 135 -5.244 -7.302 -12.467 1013 HG SER 135 HG SER 135 -3.204 -8.729 -11.315 1014 H HIS 136 H HIS 136 -3.195 -4.607 -9.584 1015 HA HIS 136 HA HIS 136 -0.989 -5.912 -8.112 1016 1HB HIS 136 1HB HIS 136 -1.462 -4.119 -6.508 1017 2HB HIS 136 2HB HIS 136 -1.061 -3.500 -8.091 1018 HD1 HIS 136 HD1 HIS 136 -2.198 -1.276 -7.264 1019 HD2 HIS 136 HD2 HIS 136 -4.765 -4.459 -7.903 1020 HE1 HIS 136 HE1 HIS 136 -4.595 -0.243 -7.369 1021 HE2 HIS 136 HE2 HIS 136 -6.152 -2.269 -7.833 Start of MODEL 14 1 1H ALA 1 H1 ALA 1 0.612 0.659 -0.099 2 2H ALA 1 H2 ALA 1 1.966 0.253 0.739 3 3H ALA 1 H3 ALA 1 0.962 -0.927 0.146 4 HA ALA 1 HA ALA 1 3.131 0.259 -1.053 5 1HB ALA 1 1HB ALA 1 2.002 -1.373 -2.956 6 2HB ALA 1 2HB ALA 1 2.963 -1.950 -1.595 7 3HB ALA 1 3HB ALA 1 1.181 -1.964 -1.498 8 H VAL 2 H VAL 2 0.273 -0.318 -3.058 9 HA VAL 2 HA VAL 2 0.684 1.813 -4.728 10 HB VAL 2 HB VAL 2 -0.834 -0.144 -5.063 11 1HG1 VAL 2 1HG1 VAL 2 -2.819 1.438 -3.446 12 2HG1 VAL 2 2HG1 VAL 2 -3.049 -0.164 -4.214 13 3HG1 VAL 2 3HG1 VAL 2 -1.976 -0.006 -2.827 14 1HG2 VAL 2 1HG2 VAL 2 -1.058 1.440 -6.747 15 2HG2 VAL 2 2HG2 VAL 2 -2.704 1.313 -6.153 16 3HG2 VAL 2 3HG2 VAL 2 -1.667 2.682 -5.673 17 H THR 3 H THR 3 0.151 3.958 -4.788 18 HA THR 3 HA THR 3 -0.581 5.150 -2.228 19 HB THR 3 HB THR 3 0.696 6.026 -4.776 20 HG1 THR 3 HG1 THR 3 0.977 6.475 -1.982 21 1HG2 THR 3 1HG2 THR 3 0.478 8.237 -4.260 22 2HG2 THR 3 2HG2 THR 3 -1.181 7.707 -4.349 23 3HG2 THR 3 3HG2 THR 3 -0.447 7.948 -2.752 24 H TRP 4 H TRP 4 -2.649 5.438 -1.689 25 HA TRP 4 HA TRP 4 -4.711 5.490 -3.702 26 1HB TRP 4 1HB TRP 4 -4.780 5.596 -0.682 27 2HB TRP 4 2HB TRP 4 -6.153 5.593 -1.734 28 HD1 TRP 4 HD1 TRP 4 -3.084 3.273 -1.432 29 HE1 TRP 4 HE1 TRP 4 -3.880 0.796 -1.543 30 HE3 TRP 4 HE3 TRP 4 -8.026 4.127 -1.954 31 HZ2 TRP 4 HZ2 TRP 4 -6.371 -0.570 -1.827 32 HZ3 TRP 4 HZ3 TRP 4 -9.619 2.251 -2.120 33 HH2 TRP 4 HH2 TRP 4 -8.817 -0.099 -2.052 34 H THR 5 H THR 5 -5.846 7.222 -4.346 35 HA THR 5 HA THR 5 -5.002 9.847 -3.196 36 HB THR 5 HB THR 5 -5.310 8.860 -6.005 37 HG1 THR 5 HG1 THR 5 -3.288 9.179 -5.058 38 1HG2 THR 5 1HG2 THR 5 -5.270 11.357 -6.637 39 2HG2 THR 5 2HG2 THR 5 -6.845 10.712 -6.146 40 3HG2 THR 5 3HG2 THR 5 -5.871 11.683 -5.000 41 H CYS 6 H CYS 6 -6.487 10.915 -2.174 42 HA CYS 6 HA CYS 6 -9.341 10.233 -2.762 43 1HB CYS 6 1HB CYS 6 -8.203 11.497 -0.268 44 2HB CYS 6 2HB CYS 6 -9.837 10.989 -0.588 45 H GLY 7 H GLY 7 -8.289 11.789 -4.646 46 1HA GLY 7 1HA GLY 7 -8.252 13.878 -5.635 47 2HA GLY 7 2HA GLY 7 -9.810 14.057 -4.828 48 H GLY 8 H GLY 8 -6.415 13.927 -3.615 49 1HA GLY 8 1HA GLY 8 -6.450 16.726 -2.832 50 2HA GLY 8 2HA GLY 8 -6.680 15.630 -1.449 51 H LEU 9 H LEU 9 -5.017 13.946 -1.078 52 HA LEU 9 HA LEU 9 -2.388 14.617 -2.284 53 1HB LEU 9 1HB LEU 9 -3.168 14.318 0.623 54 2HB LEU 9 2HB LEU 9 -1.527 14.031 0.103 55 HG LEU 9 HG LEU 9 -2.636 16.621 -0.886 56 1HD1 LEU 9 1HD1 LEU 9 -2.892 15.932 1.967 57 2HD1 LEU 9 2HD1 LEU 9 -1.910 17.363 1.706 58 3HD1 LEU 9 3HD1 LEU 9 -3.537 17.295 1.035 59 1HD2 LEU 9 1HD2 LEU 9 -0.087 15.464 -0.539 60 2HD2 LEU 9 2HD2 LEU 9 -0.467 17.114 -1.016 61 3HD2 LEU 9 3HD2 LEU 9 -0.165 16.724 0.683 62 H LEU 10 H LEU 10 -0.811 12.853 -1.982 63 HA LEU 10 HA LEU 10 -2.140 10.337 -2.680 64 1HB LEU 10 1HB LEU 10 0.619 11.544 -2.944 65 2HB LEU 10 2HB LEU 10 0.519 9.842 -2.815 66 HG LEU 10 HG LEU 10 -1.071 9.793 -4.801 67 1HD1 LEU 10 1HD1 LEU 10 -2.242 11.676 -4.990 68 2HD1 LEU 10 2HD1 LEU 10 -0.959 12.708 -4.422 69 3HD1 LEU 10 3HD1 LEU 10 -0.962 12.104 -6.101 70 1HD2 LEU 10 1HD2 LEU 10 1.073 11.319 -6.048 71 2HD2 LEU 10 2HD2 LEU 10 1.715 10.235 -4.812 72 3HD2 LEU 10 3HD2 LEU 10 0.725 9.591 -6.125 73 H TYR 11 H TYR 11 -2.330 8.644 -1.384 74 HA TYR 11 HA TYR 11 -0.989 8.713 1.274 75 1HB TYR 11 1HB TYR 11 -3.690 7.600 0.405 76 2HB TYR 11 2HB TYR 11 -3.043 7.520 2.032 77 HD1 TYR 11 HD1 TYR 11 -5.211 9.291 -0.096 78 HD2 TYR 11 HD2 TYR 11 -2.293 9.930 3.013 79 HE1 TYR 11 HE1 TYR 11 -6.196 11.544 0.407 80 HE2 TYR 11 HE2 TYR 11 -3.350 12.143 3.530 81 HH TYR 11 HH TYR 11 -5.085 13.451 3.143 82 H ASN 12 H ASN 12 0.564 7.213 1.409 83 HA ASN 12 HA ASN 12 0.677 4.984 -0.420 84 1HB ASN 12 1HB ASN 12 2.485 6.246 1.305 85 2HB ASN 12 2HB ASN 12 2.183 4.738 2.152 86 1HD2 ASN 12 1HD2 ASN 12 2.838 2.827 1.316 87 2HD2 ASN 12 2HD2 ASN 12 3.874 2.746 -0.147 88 H GLN 13 H GLN 13 -0.731 3.296 -0.329 89 HA GLN 13 HA GLN 13 -2.436 2.711 1.630 90 1HB GLN 13 1HB GLN 13 -2.345 1.448 -0.493 91 2HB GLN 13 2HB GLN 13 -0.916 0.681 -0.045 92 1HG GLN 13 1HG GLN 13 -3.052 -0.695 0.233 93 2HG GLN 13 2HG GLN 13 -1.932 -0.684 1.610 94 1HE2 GLN 13 1HE2 GLN 13 -4.247 1.796 0.426 95 2HE2 GLN 13 2HE2 GLN 13 -5.132 1.865 1.933 96 H ASN 14 H ASN 14 0.908 1.565 1.556 97 HA ASN 14 HA ASN 14 0.926 -0.148 3.732 98 1HB ASN 14 1HB ASN 14 2.917 0.922 2.180 99 2HB ASN 14 2HB ASN 14 3.105 1.959 3.590 100 1HD2 ASN 14 1HD2 ASN 14 5.238 0.912 3.592 101 2HD2 ASN 14 2HD2 ASN 14 5.361 -0.624 4.440 102 H LYS 15 H LYS 15 1.071 3.454 3.746 103 HA LYS 15 HA LYS 15 1.174 3.625 6.631 104 1HB LYS 15 1HB LYS 15 1.294 5.437 4.303 105 2HB LYS 15 2HB LYS 15 0.338 6.105 5.616 106 1HG LYS 15 1HG LYS 15 2.125 6.251 7.054 107 2HG LYS 15 2HG LYS 15 2.910 4.804 6.457 108 1HD LYS 15 1HD LYS 15 3.259 6.266 4.230 109 2HD LYS 15 2HD LYS 15 3.089 7.591 5.333 110 1HE LYS 15 1HE LYS 15 4.910 6.535 6.783 111 2HE LYS 15 2HE LYS 15 5.063 5.258 5.570 112 1HZ LYS 15 1HZ LYS 15 6.216 7.822 5.536 113 2HZ LYS 15 2HZ LYS 15 6.396 6.623 4.420 114 3HZ LYS 15 3HZ LYS 15 5.190 7.744 4.275 115 H ALA 16 H ALA 16 -1.331 3.495 4.144 116 HA ALA 16 HA ALA 16 -3.455 4.463 5.736 117 1HB ALA 16 1HB ALA 16 -4.850 3.472 4.081 118 2HB ALA 16 2HB ALA 16 -3.404 4.102 3.203 119 3HB ALA 16 3HB ALA 16 -3.611 2.394 3.580 120 H GLU 17 H GLU 17 -2.107 1.174 5.219 121 HA GLU 17 HA GLU 17 -3.958 0.058 7.172 122 1HB GLU 17 1HB GLU 17 -2.576 -2.041 6.737 123 2HB GLU 17 2HB GLU 17 -3.512 -1.401 5.379 124 1HG GLU 17 1HG GLU 17 -1.595 -0.569 4.313 125 2HG GLU 17 2HG GLU 17 -0.617 -0.646 5.764 126 H SER 18 H SER 18 -0.531 0.939 6.937 127 HA SER 18 HA SER 18 0.291 -0.203 9.382 128 1HB SER 18 1HB SER 18 1.911 0.422 7.646 129 2HB SER 18 2HB SER 18 1.521 2.132 7.894 130 HG SER 18 HG SER 18 2.860 2.151 9.462 131 H ASN 19 H ASN 19 -0.238 3.289 8.489 132 HA ASN 19 HA ASN 19 -0.049 4.445 10.940 133 1HB ASN 19 1HB ASN 19 -0.554 5.629 8.749 134 2HB ASN 19 2HB ASN 19 -2.249 5.128 8.998 135 1HD2 ASN 19 1HD2 ASN 19 0.335 6.346 11.096 136 2HD2 ASN 19 2HD2 ASN 19 -0.633 7.680 11.735 137 H SER 20 H SER 20 -2.604 2.401 9.699 138 HA SER 20 HA SER 20 -4.360 2.968 11.936 139 1HB SER 20 1HB SER 20 -5.977 2.129 10.651 140 2HB SER 20 2HB SER 20 -4.783 2.143 9.357 141 HG SER 20 HG SER 20 -4.713 0.052 9.376 142 H HIS 21 H HIS 21 -2.242 0.360 10.772 143 HA HIS 21 HA HIS 21 -2.868 -1.761 12.354 144 1HB HIS 21 1HB HIS 21 -0.245 -0.734 11.279 145 2HB HIS 21 2HB HIS 21 -0.183 -1.967 12.462 146 HD1 HIS 21 HD1 HIS 21 0.804 -3.590 10.632 147 HD2 HIS 21 HD2 HIS 21 -3.116 -2.195 9.925 148 HE1 HIS 21 HE1 HIS 21 -0.187 -5.079 8.764 149 HE2 HIS 21 HE2 HIS 21 -2.587 -4.197 8.349 150 H HIS 22 H HIS 22 -1.157 1.235 13.338 151 HA HIS 22 HA HIS 22 -0.652 0.276 15.972 152 1HB HIS 22 1HB HIS 22 -0.681 3.189 15.525 153 2HB HIS 22 2HB HIS 22 0.562 2.159 16.195 154 HD1 HIS 22 HD1 HIS 22 0.508 4.534 13.846 155 HD2 HIS 22 HD2 HIS 22 1.325 0.389 13.586 156 HE1 HIS 22 HE1 HIS 22 1.913 4.151 11.668 157 HE2 HIS 22 HE2 HIS 22 2.418 1.585 11.569 158 H ALA 23 H ALA 23 -3.046 2.478 14.442 159 HA ALA 23 HA ALA 23 -4.392 3.458 16.491 160 1HB ALA 23 1HB ALA 23 -4.839 3.340 13.855 161 2HB ALA 23 2HB ALA 23 -6.122 2.242 14.406 162 3HB ALA 23 3HB ALA 23 -6.012 3.885 15.030 163 HA PRO 24 HA PRO 24 -5.737 -0.103 18.736 164 1HB PRO 24 1HB PRO 24 -7.435 1.201 20.506 165 2HB PRO 24 2HB PRO 24 -5.675 1.069 20.698 166 1HG PRO 24 1HG PRO 24 -7.325 3.319 19.904 167 2HG PRO 24 2HG PRO 24 -5.650 3.373 20.547 168 1HD PRO 24 1HD PRO 24 -6.475 3.738 17.835 169 2HD PRO 24 2HD PRO 24 -4.833 3.563 18.449 170 H LEU 25 H LEU 25 -7.118 -1.584 18.068 171 HA LEU 25 HA LEU 25 -9.303 -0.971 16.435 172 1HB LEU 25 1HB LEU 25 -7.861 -3.218 16.963 173 2HB LEU 25 2HB LEU 25 -9.296 -3.565 17.916 174 HG LEU 25 HG LEU 25 -10.705 -3.583 16.035 175 1HD1 LEU 25 1HD1 LEU 25 -8.553 -1.999 14.703 176 2HD1 LEU 25 2HD1 LEU 25 -9.605 -3.042 13.694 177 3HD1 LEU 25 3HD1 LEU 25 -10.308 -1.806 14.694 178 1HD2 LEU 25 1HD2 LEU 25 -9.550 -5.635 16.136 179 2HD2 LEU 25 2HD2 LEU 25 -9.447 -5.129 14.472 180 3HD2 LEU 25 3HD2 LEU 25 -8.046 -4.932 15.496 181 H SER 26 H SER 26 -10.757 0.458 17.206 182 HA SER 26 HA SER 26 -12.827 -0.493 18.824 183 1HB SER 26 1HB SER 26 -10.609 0.697 20.218 184 2HB SER 26 2HB SER 26 -12.157 1.460 20.614 185 HG SER 26 HG SER 26 -11.698 -1.326 20.674 186 H ASP 27 H ASP 27 -14.220 1.526 19.594 187 HA ASP 27 HA ASP 27 -14.093 3.518 17.435 188 1HB ASP 27 1HB ASP 27 -16.214 3.009 17.061 189 2HB ASP 27 2HB ASP 27 -16.209 1.851 18.402 190 H GLY 28 H GLY 28 -13.370 5.463 18.117 191 1HA GLY 28 1HA GLY 28 -12.942 7.222 19.559 192 2HA GLY 28 2HA GLY 28 -14.607 7.014 20.089 193 H LYS 29 H LYS 29 -11.373 5.491 20.498 194 HA LYS 29 HA LYS 29 -11.885 5.424 23.425 195 1HB LYS 29 1HB LYS 29 -11.202 3.230 23.642 196 2HB LYS 29 2HB LYS 29 -12.296 3.178 22.273 197 1HG LYS 29 1HG LYS 29 -10.573 2.815 20.728 198 2HG LYS 29 2HG LYS 29 -9.355 3.575 21.654 199 1HD LYS 29 1HD LYS 29 -10.556 0.980 22.600 200 2HD LYS 29 2HD LYS 29 -9.119 1.103 21.608 201 1HE LYS 29 1HE LYS 29 -8.353 2.821 23.508 202 2HE LYS 29 2HE LYS 29 -9.555 1.926 24.455 203 1HZ LYS 29 1HZ LYS 29 -8.329 -0.119 23.512 204 2HZ LYS 29 2HZ LYS 29 -7.083 0.929 23.225 205 3HZ LYS 29 3HZ LYS 29 -7.629 0.711 24.760 206 H THR 30 H THR 30 -10.236 6.924 21.198 207 HA THR 30 HA THR 30 -7.618 6.765 22.606 208 HB THR 30 HB THR 30 -6.598 7.174 20.541 209 HG1 THR 30 HG1 THR 30 -9.239 7.871 19.714 210 1HG2 THR 30 1HG2 THR 30 -8.845 5.791 19.178 211 2HG2 THR 30 2HG2 THR 30 -7.126 5.396 19.296 212 3HG2 THR 30 3HG2 THR 30 -8.229 5.010 20.626 213 H GLY 31 H GLY 31 -6.508 8.737 22.986 214 1HA GLY 31 1HA GLY 31 -7.818 10.736 24.242 215 2HA GLY 31 2HA GLY 31 -6.319 11.003 23.326 216 H SER 32 H SER 32 -6.834 10.974 20.778 217 HA SER 32 HA SER 32 -8.345 13.368 20.348 218 1HB SER 32 1HB SER 32 -6.471 12.820 18.885 219 2HB SER 32 2HB SER 32 -7.249 11.297 18.409 220 HG SER 32 HG SER 32 -8.091 13.920 17.815 221 H SER 33 H SER 33 -8.926 9.989 19.214 222 HA SER 33 HA SER 33 -11.428 9.533 19.936 223 1HB SER 33 1HB SER 33 -11.467 11.659 17.849 224 2HB SER 33 2HB SER 33 -12.611 10.357 17.584 225 HG SER 33 HG SER 33 -12.662 12.349 19.435 226 H TYR 34 H TYR 34 -9.935 9.959 16.685 227 HA TYR 34 HA TYR 34 -10.867 7.651 15.596 228 1HB TYR 34 1HB TYR 34 -8.242 9.070 15.084 229 2HB TYR 34 2HB TYR 34 -9.027 7.977 13.960 230 HD1 TYR 34 HD1 TYR 34 -9.115 11.334 15.508 231 HD2 TYR 34 HD2 TYR 34 -11.000 8.695 12.697 232 HE1 TYR 34 HE1 TYR 34 -10.417 13.266 14.547 233 HE2 TYR 34 HE2 TYR 34 -12.288 10.650 11.749 234 HH TYR 34 HH TYR 34 -13.069 12.985 12.799 235 HA PRO 35 HA PRO 35 -10.254 6.115 14.219 236 1HB PRO 35 1HB PRO 35 -10.818 3.415 14.242 237 2HB PRO 35 2HB PRO 35 -9.440 4.155 13.424 238 1HG PRO 35 1HG PRO 35 -9.481 2.586 15.926 239 2HG PRO 35 2HG PRO 35 -8.121 2.945 14.841 240 1HD PRO 35 1HD PRO 35 -8.716 4.178 17.375 241 2HD PRO 35 2HD PRO 35 -7.422 4.642 16.256 242 H HIS 36 H HIS 36 -12.533 5.389 13.811 243 HA HIS 36 HA HIS 36 -14.076 5.092 16.286 244 1HB HIS 36 1HB HIS 36 -15.628 6.885 15.544 245 2HB HIS 36 2HB HIS 36 -14.067 7.454 16.110 246 HD1 HIS 36 HD1 HIS 36 -16.357 8.469 13.763 247 HD2 HIS 36 HD2 HIS 36 -12.343 7.308 13.385 248 HE1 HIS 36 HE1 HIS 36 -15.479 9.555 11.595 249 HE2 HIS 36 HE2 HIS 36 -12.978 8.819 11.470 250 H TRP 37 H TRP 37 -16.555 5.014 15.541 251 HA TRP 37 HA TRP 37 -16.610 2.685 13.772 252 1HB TRP 37 1HB TRP 37 -18.015 2.664 15.681 253 2HB TRP 37 2HB TRP 37 -18.691 4.220 15.311 254 HD1 TRP 37 HD1 TRP 37 -18.521 0.975 13.128 255 HE1 TRP 37 HE1 TRP 37 -20.853 0.498 12.181 256 HE3 TRP 37 HE3 TRP 37 -20.944 4.857 15.274 257 HZ2 TRP 37 HZ2 TRP 37 -23.442 1.678 12.319 258 HZ3 TRP 37 HZ3 TRP 37 -23.387 5.174 14.850 259 HH2 TRP 37 HH2 TRP 37 -24.568 3.625 13.358 260 H PHE 38 H PHE 38 -17.048 2.692 11.669 261 HA PHE 38 HA PHE 38 -17.614 5.209 10.305 262 1HB PHE 38 1HB PHE 38 -15.572 3.924 9.672 263 2HB PHE 38 2HB PHE 38 -16.555 2.498 9.421 264 HD1 PHE 38 HD1 PHE 38 -16.711 6.075 8.311 265 HD2 PHE 38 HD2 PHE 38 -16.939 1.947 7.178 266 HE1 PHE 38 HE1 PHE 38 -17.151 6.714 5.962 267 HE2 PHE 38 HE2 PHE 38 -17.281 2.594 4.807 268 HZ PHE 38 HZ PHE 38 -17.387 4.980 4.225 269 H THR 39 H THR 39 -19.880 4.992 11.069 270 HA THR 39 HA THR 39 -21.724 3.062 10.613 271 HB THR 39 HB THR 39 -23.314 4.915 10.254 272 HG1 THR 39 HG1 THR 39 -22.562 6.880 9.586 273 1HG2 THR 39 1HG2 THR 39 -21.432 4.886 12.350 274 2HG2 THR 39 2HG2 THR 39 -21.589 6.563 11.939 275 3HG2 THR 39 3HG2 THR 39 -23.038 5.653 12.357 276 H ASN 40 H ASN 40 -20.066 4.948 8.111 277 HA ASN 40 HA ASN 40 -19.943 4.704 5.879 278 1HB ASN 40 1HB ASN 40 -19.351 2.331 6.433 279 2HB ASN 40 2HB ASN 40 -21.030 1.897 6.446 280 1HD2 ASN 40 1HD2 ASN 40 -20.471 0.352 4.868 281 2HD2 ASN 40 2HD2 ASN 40 -20.408 0.823 3.168 282 H GLY 41 H GLY 41 -22.573 5.325 7.443 283 1HA GLY 41 1HA GLY 41 -24.345 6.489 6.160 284 2HA GLY 41 2HA GLY 41 -24.416 5.059 5.132 285 H TYR 42 H TYR 42 -24.147 3.042 7.195 286 HA TYR 42 HA TYR 42 -26.769 2.505 7.841 287 1HB TYR 42 1HB TYR 42 -24.161 1.779 9.181 288 2HB TYR 42 2HB TYR 42 -25.649 1.053 9.657 289 HD1 TYR 42 HD1 TYR 42 -27.015 -0.031 7.732 290 HD2 TYR 42 HD2 TYR 42 -22.855 0.727 7.451 291 HE1 TYR 42 HE1 TYR 42 -26.794 -1.846 5.942 292 HE2 TYR 42 HE2 TYR 42 -22.632 -0.982 5.665 293 HH TYR 42 HH TYR 42 -23.675 -2.755 4.665 294 H ASP 43 H ASP 43 -27.926 2.478 9.866 295 HA ASP 43 HA ASP 43 -27.540 5.019 11.289 296 1HB ASP 43 1HB ASP 43 -29.693 3.049 10.864 297 2HB ASP 43 2HB ASP 43 -29.519 3.414 12.575 298 H GLY 44 H GLY 44 -27.323 1.522 11.891 299 1HA GLY 44 1HA GLY 44 -25.472 1.904 14.091 300 2HA GLY 44 2HA GLY 44 -27.053 1.321 14.607 301 H ASP 45 H ASP 45 -27.869 -0.660 13.514 302 HA ASP 45 HA ASP 45 -25.613 -2.494 12.856 303 1HB ASP 45 1HB ASP 45 -27.864 -2.681 14.730 304 2HB ASP 45 2HB ASP 45 -27.972 -3.960 13.532 305 H GLY 46 H GLY 46 -29.171 -2.333 12.434 306 1HA GLY 46 1HA GLY 46 -29.335 -3.868 10.108 307 2HA GLY 46 2HA GLY 46 -30.532 -2.644 10.619 308 H LYS 47 H LYS 47 -30.705 -2.401 8.231 309 HA LYS 47 HA LYS 47 -28.603 -1.340 6.673 310 1HB LYS 47 1HB LYS 47 -30.270 -0.787 5.048 311 2HB LYS 47 2HB LYS 47 -30.711 -2.321 5.771 312 1HG LYS 47 1HG LYS 47 -31.853 0.268 6.936 313 2HG LYS 47 2HG LYS 47 -32.525 -0.403 5.467 314 1HD LYS 47 1HD LYS 47 -32.474 -2.656 7.019 315 2HD LYS 47 2HD LYS 47 -32.560 -1.425 8.294 316 1HE LYS 47 1HE LYS 47 -34.557 -0.438 7.157 317 2HE LYS 47 2HE LYS 47 -34.463 -1.693 5.910 318 1HZ LYS 47 1HZ LYS 47 -35.882 -1.940 8.164 319 2HZ LYS 47 2HZ LYS 47 -35.310 -3.226 7.310 320 3HZ LYS 47 3HZ LYS 47 -34.484 -2.675 8.628 321 H LEU 48 H LEU 48 -29.650 1.035 5.588 322 HA LEU 48 HA LEU 48 -29.053 2.901 7.820 323 1HB LEU 48 1HB LEU 48 -28.837 4.041 5.246 324 2HB LEU 48 2HB LEU 48 -27.688 3.891 6.501 325 HG LEU 48 HG LEU 48 -27.347 1.441 5.553 326 1HD1 LEU 48 1HD1 LEU 48 -29.307 2.304 3.835 327 2HD1 LEU 48 2HD1 LEU 48 -27.776 2.603 2.950 328 3HD1 LEU 48 3HD1 LEU 48 -28.150 1.004 3.497 329 1HD2 LEU 48 1HD2 LEU 48 -25.416 2.409 5.392 330 2HD2 LEU 48 2HD2 LEU 48 -25.796 2.735 3.741 331 3HD2 LEU 48 3HD2 LEU 48 -26.097 3.973 4.902 332 HA PRO 49 HA PRO 49 -32.841 4.928 7.321 333 1HB PRO 49 1HB PRO 49 -32.214 7.648 7.075 334 2HB PRO 49 2HB PRO 49 -32.195 6.716 8.596 335 1HG PRO 49 1HG PRO 49 -29.911 7.682 6.955 336 2HG PRO 49 2HG PRO 49 -29.950 7.217 8.669 337 1HD PRO 49 1HD PRO 49 -28.998 5.716 6.476 338 2HD PRO 49 2HD PRO 49 -29.129 5.143 8.146 339 H LYS 50 H LYS 50 -34.084 6.738 5.985 340 HA LYS 50 HA LYS 50 -33.789 5.889 3.211 341 1HB LYS 50 1HB LYS 50 -35.968 5.687 4.035 342 2HB LYS 50 2HB LYS 50 -35.958 7.302 4.733 343 1HG LYS 50 1HG LYS 50 -36.616 8.267 2.806 344 2HG LYS 50 2HG LYS 50 -35.370 7.461 1.857 345 1HD LYS 50 1HD LYS 50 -36.670 5.495 1.528 346 2HD LYS 50 2HD LYS 50 -37.888 6.002 2.708 347 1HE LYS 50 1HE LYS 50 -37.263 7.640 0.205 348 2HE LYS 50 2HE LYS 50 -38.459 6.330 0.212 349 1HZ LYS 50 1HZ LYS 50 -39.721 8.161 0.760 350 2HZ LYS 50 2HZ LYS 50 -39.364 7.593 2.261 351 3HZ LYS 50 3HZ LYS 50 -38.546 8.884 1.660 352 H GLY 51 H GLY 51 -32.133 6.930 2.283 353 1HA GLY 51 1HA GLY 51 -31.857 8.989 0.869 354 2HA GLY 51 2HA GLY 51 -32.187 9.933 2.337 355 H ARG 52 H ARG 52 -29.987 7.296 1.206 356 HA ARG 52 HA ARG 52 -27.689 8.828 2.059 357 1HB ARG 52 1HB ARG 52 -27.013 7.596 3.885 358 2HB ARG 52 2HB ARG 52 -28.746 7.374 4.104 359 1HG ARG 52 1HG ARG 52 -26.829 5.388 2.768 360 2HG ARG 52 2HG ARG 52 -27.551 5.279 4.295 361 1HD ARG 52 1HD ARG 52 -29.429 4.330 3.377 362 2HD ARG 52 2HD ARG 52 -29.715 5.707 2.428 363 HE ARG 52 HE ARG 52 -27.798 4.579 0.948 364 1HH1 ARG 52 2HH2 ARG 52 -30.648 3.277 2.310 365 2HH1 ARG 52 1HH2 ARG 52 -30.876 2.046 1.085 366 1HH2 ARG 52 2HH1 ARG 52 -27.996 3.001 -0.642 367 2HH2 ARG 52 1HH1 ARG 52 -29.334 1.909 -0.612 368 H THR 53 H THR 53 -25.649 7.400 1.726 369 HA THR 53 HA THR 53 -26.021 5.271 -0.227 370 HB THR 53 HB THR 53 -24.999 7.966 -0.986 371 HG1 THR 53 HG1 THR 53 -26.706 5.968 -2.053 372 1HG2 THR 53 1HG2 THR 53 -24.402 5.262 -2.247 373 2HG2 THR 53 2HG2 THR 53 -24.433 6.777 -3.192 374 3HG2 THR 53 3HG2 THR 53 -23.253 6.574 -1.879 375 HA PRO 54 HA PRO 54 -22.443 4.389 2.302 376 1HB PRO 54 1HB PRO 54 -22.497 1.614 1.869 377 2HB PRO 54 2HB PRO 54 -23.409 2.449 3.135 378 1HG PRO 54 1HG PRO 54 -24.412 1.275 0.620 379 2HG PRO 54 2HG PRO 54 -25.300 1.674 2.095 380 1HD PRO 54 1HD PRO 54 -25.213 3.171 -0.339 381 2HD PRO 54 2HD PRO 54 -25.998 3.644 1.185 382 H ILE 55 H ILE 55 -20.409 3.043 1.891 383 HA ILE 55 HA ILE 55 -19.549 3.712 -0.843 384 HB ILE 55 HB ILE 55 -17.873 2.839 1.533 385 1HG1 ILE 55 1HG1 ILE 55 -18.910 5.577 0.692 386 2HG1 ILE 55 2HG1 ILE 55 -18.915 4.822 2.281 387 1HG2 ILE 55 1HG2 ILE 55 -16.941 2.659 -0.859 388 2HG2 ILE 55 2HG2 ILE 55 -17.086 4.434 -0.913 389 3HG2 ILE 55 3HG2 ILE 55 -16.025 3.625 0.272 390 1HD1 ILE 55 1HD1 ILE 55 -17.213 6.585 2.169 391 2HD1 ILE 55 2HD1 ILE 55 -16.481 4.973 2.370 392 3HD1 ILE 55 3HD1 ILE 55 -16.427 5.792 0.809 393 H LYS 56 H LYS 56 -18.980 2.235 -2.322 394 HA LYS 56 HA LYS 56 -19.386 -0.619 -1.583 395 1HB LYS 56 1HB LYS 56 -20.916 0.082 -3.262 396 2HB LYS 56 2HB LYS 56 -19.668 0.870 -4.222 397 1HG LYS 56 1HG LYS 56 -19.427 -2.097 -3.581 398 2HG LYS 56 2HG LYS 56 -20.534 -1.575 -4.844 399 1HD LYS 56 1HD LYS 56 -18.062 -0.153 -5.292 400 2HD LYS 56 2HD LYS 56 -17.636 -1.826 -4.941 401 1HE LYS 56 1HE LYS 56 -19.383 -2.524 -6.659 402 2HE LYS 56 2HE LYS 56 -19.577 -0.811 -7.067 403 1HZ LYS 56 1HZ LYS 56 -16.836 -1.517 -7.036 404 2HZ LYS 56 2HZ LYS 56 -17.655 -2.541 -8.033 405 3HZ LYS 56 3HZ LYS 56 -17.728 -0.916 -8.283 406 H PHE 57 H PHE 57 -17.784 -2.009 -1.685 407 HA PHE 57 HA PHE 57 -15.159 -1.084 -2.787 408 1HB PHE 57 1HB PHE 57 -15.595 -3.150 -0.593 409 2HB PHE 57 2HB PHE 57 -14.120 -2.279 -0.987 410 HD1 PHE 57 HD1 PHE 57 -17.388 -2.180 0.749 411 HD2 PHE 57 HD2 PHE 57 -13.851 0.025 -0.245 412 HE1 PHE 57 HE1 PHE 57 -17.962 -0.490 2.483 413 HE2 PHE 57 HE2 PHE 57 -14.440 1.759 1.497 414 HZ PHE 57 HZ PHE 57 -16.489 1.466 2.852 415 H GLY 58 H GLY 58 -17.052 -4.032 -1.995 416 1HA GLY 58 1HA GLY 58 -17.499 -5.483 -4.027 417 2HA GLY 58 2HA GLY 58 -15.740 -5.425 -4.276 418 H LYS 59 H LYS 59 -16.012 -5.306 -1.012 419 HA LYS 59 HA LYS 59 -15.602 -8.222 -0.797 420 1HB LYS 59 1HB LYS 59 -14.879 -5.836 0.974 421 2HB LYS 59 2HB LYS 59 -14.802 -7.493 1.558 422 1HG LYS 59 1HG LYS 59 -13.509 -7.102 -1.120 423 2HG LYS 59 2HG LYS 59 -12.781 -6.146 0.153 424 1HD LYS 59 1HD LYS 59 -11.581 -8.017 0.616 425 2HD LYS 59 2HD LYS 59 -13.002 -8.578 1.461 426 1HE LYS 59 1HE LYS 59 -12.996 -9.040 -1.502 427 2HE LYS 59 2HE LYS 59 -11.779 -9.941 -0.588 428 1HZ LYS 59 1HZ LYS 59 -14.515 -9.910 0.424 429 2HZ LYS 59 2HZ LYS 59 -14.161 -10.900 -0.866 430 3HZ LYS 59 3HZ LYS 59 -13.385 -11.058 0.589 431 H SER 60 H SER 60 -16.944 -9.567 0.187 432 HA SER 60 HA SER 60 -19.563 -8.642 0.774 433 1HB SER 60 1HB SER 60 -20.035 -10.939 1.387 434 2HB SER 60 2HB SER 60 -19.057 -10.911 -0.091 435 HG SER 60 HG SER 60 -17.429 -11.838 0.982 436 H ASP 61 H ASP 61 -16.701 -8.431 2.550 437 HA ASP 61 HA ASP 61 -17.894 -8.810 5.163 438 1HB ASP 61 1HB ASP 61 -15.187 -7.637 4.532 439 2HB ASP 61 2HB ASP 61 -15.704 -8.405 6.024 440 H CYS 62 H CYS 62 -16.221 -6.183 3.309 441 HA CYS 62 HA CYS 62 -17.031 -4.138 5.164 442 1HB CYS 62 1HB CYS 62 -16.001 -3.879 2.302 443 2HB CYS 62 2HB CYS 62 -16.146 -2.597 3.499 444 H ASP 63 H ASP 63 -18.529 -5.830 2.546 445 HA ASP 63 HA ASP 63 -20.426 -3.741 1.878 446 1HB ASP 63 1HB ASP 63 -19.841 -5.341 0.155 447 2HB ASP 63 2HB ASP 63 -20.225 -6.705 1.238 448 H ARG 64 H ARG 64 -20.304 -6.779 3.805 449 HA ARG 64 HA ARG 64 -22.964 -6.989 4.401 450 1HB ARG 64 1HB ARG 64 -22.208 -8.715 5.660 451 2HB ARG 64 2HB ARG 64 -20.588 -8.183 5.281 452 1HG ARG 64 1HG ARG 64 -20.473 -6.737 7.241 453 2HG ARG 64 2HG ARG 64 -22.082 -7.281 7.694 454 1HD ARG 64 1HD ARG 64 -20.158 -8.407 8.816 455 2HD ARG 64 2HD ARG 64 -21.573 -9.329 8.281 456 HE ARG 64 HE ARG 64 -19.326 -9.100 6.400 457 1HH1 ARG 64 2HH2 ARG 64 -20.894 -11.034 8.793 458 2HH1 ARG 64 1HH2 ARG 64 -20.136 -12.525 8.299 459 1HH2 ARG 64 2HH1 ARG 64 -18.300 -11.018 5.739 460 2HH2 ARG 64 1HH1 ARG 64 -18.665 -12.485 6.538 461 HA PRO 65 HA PRO 65 -23.863 -3.750 7.133 462 1HB PRO 65 1HB PRO 65 -25.709 -4.890 8.893 463 2HB PRO 65 2HB PRO 65 -26.045 -4.280 7.246 464 1HG PRO 65 1HG PRO 65 -25.813 -7.092 8.185 465 2HG PRO 65 2HG PRO 65 -26.600 -6.450 6.708 466 1HD PRO 65 1HD PRO 65 -24.046 -7.718 6.915 467 2HD PRO 65 2HD PRO 65 -24.770 -6.997 5.470 468 HA PRO 66 HA PRO 66 -21.194 -4.256 10.612 469 1HB PRO 66 1HB PRO 66 -21.545 -1.715 11.733 470 2HB PRO 66 2HB PRO 66 -20.468 -2.088 10.356 471 1HG PRO 66 1HG PRO 66 -23.062 -0.668 10.346 472 2HG PRO 66 2HG PRO 66 -21.743 -0.661 9.127 473 1HD PRO 66 1HD PRO 66 -24.220 -2.123 9.025 474 2HD PRO 66 2HD PRO 66 -22.837 -2.208 7.906 475 H LYS 67 H LYS 67 -21.198 -3.924 13.035 476 HA LYS 67 HA LYS 67 -23.917 -4.201 14.117 477 1HB LYS 67 1HB LYS 67 -23.227 -6.457 13.760 478 2HB LYS 67 2HB LYS 67 -21.655 -6.166 14.491 479 1HG LYS 67 1HG LYS 67 -22.461 -6.630 16.550 480 2HG LYS 67 2HG LYS 67 -23.713 -5.403 16.426 481 1HD LYS 67 1HD LYS 67 -25.319 -6.837 15.639 482 2HD LYS 67 2HD LYS 67 -24.148 -7.992 15.016 483 1HE LYS 67 1HE LYS 67 -23.638 -7.837 17.784 484 2HE LYS 67 2HE LYS 67 -25.399 -7.706 17.672 485 1HZ LYS 67 1HZ LYS 67 -24.535 -9.683 15.894 486 2HZ LYS 67 2HZ LYS 67 -23.836 -9.990 17.360 487 3HZ LYS 67 3HZ LYS 67 -25.486 -9.866 17.214 488 H HIS 68 H HIS 68 -23.105 -1.850 14.343 489 HA HIS 68 HA HIS 68 -21.237 -1.583 16.648 490 1HB HIS 68 1HB HIS 68 -21.041 -0.027 14.836 491 2HB HIS 68 2HB HIS 68 -22.731 0.429 14.912 492 HD1 HIS 68 HD1 HIS 68 -23.448 2.009 16.875 493 HD2 HIS 68 HD2 HIS 68 -19.327 1.136 16.714 494 HE1 HIS 68 HE1 HIS 68 -22.253 3.683 18.436 495 HE2 HIS 68 HE2 HIS 68 -19.719 3.114 18.332 496 H SER 69 H SER 69 -21.908 -0.193 18.479 497 HA SER 69 HA SER 69 -24.735 -0.065 19.091 498 1HB SER 69 1HB SER 69 -23.260 -2.409 19.840 499 2HB SER 69 2HB SER 69 -23.558 -1.492 21.304 500 HG SER 69 HG SER 69 -25.249 -3.010 20.478 501 H LYS 70 H LYS 70 -24.453 0.156 21.889 502 HA LYS 70 HA LYS 70 -23.046 2.747 22.006 503 1HB LYS 70 1HB LYS 70 -25.488 1.690 23.125 504 2HB LYS 70 2HB LYS 70 -24.411 2.028 24.456 505 1HG LYS 70 1HG LYS 70 -24.029 4.304 22.898 506 2HG LYS 70 2HG LYS 70 -25.699 3.888 22.525 507 1HD LYS 70 1HD LYS 70 -25.408 3.606 25.369 508 2HD LYS 70 2HD LYS 70 -24.521 5.066 24.936 509 1HE LYS 70 1HE LYS 70 -26.501 6.016 23.868 510 2HE LYS 70 2HE LYS 70 -27.357 4.468 23.976 511 1HZ LYS 70 1HZ LYS 70 -26.813 4.823 26.512 512 2HZ LYS 70 2HZ LYS 70 -26.823 6.409 26.083 513 3HZ LYS 70 3HZ LYS 70 -28.164 5.480 25.832 514 H ASP 71 H ASP 71 -20.968 1.722 21.802 515 HA ASP 71 HA ASP 71 -19.632 1.562 24.264 516 1HB ASP 71 1HB ASP 71 -20.403 -0.586 24.771 517 2HB ASP 71 2HB ASP 71 -20.534 -1.034 23.068 518 H GLY 72 H GLY 72 -19.733 0.247 20.941 519 1HA GLY 72 1HA GLY 72 -18.183 1.387 19.355 520 2HA GLY 72 2HA GLY 72 -16.906 1.104 20.561 521 H ASN 73 H ASN 73 -17.449 -1.483 21.404 522 HA ASN 73 HA ASN 73 -17.731 -3.155 19.036 523 1HB ASN 73 1HB ASN 73 -15.393 -2.693 18.748 524 2HB ASN 73 2HB ASN 73 -15.108 -2.765 20.495 525 1HD2 ASN 73 1HD2 ASN 73 -13.763 -4.359 20.772 526 2HD2 ASN 73 2HD2 ASN 73 -14.047 -6.002 20.175 527 H GLY 74 H GLY 74 -19.570 -3.704 20.473 528 1HA GLY 74 1HA GLY 74 -19.252 -4.709 23.097 529 2HA GLY 74 2HA GLY 74 -20.581 -5.095 21.974 530 H LYS 75 H LYS 75 -20.779 -7.163 21.496 531 HA LYS 75 HA LYS 75 -18.846 -9.126 22.340 532 1HB LYS 75 1HB LYS 75 -21.416 -9.148 20.710 533 2HB LYS 75 2HB LYS 75 -20.374 -10.576 20.651 534 1HG LYS 75 1HG LYS 75 -20.450 -10.017 23.390 535 2HG LYS 75 2HG LYS 75 -22.082 -9.610 22.851 536 1HD LYS 75 1HD LYS 75 -22.274 -11.859 21.784 537 2HD LYS 75 2HD LYS 75 -20.611 -12.231 22.254 538 1HE LYS 75 1HE LYS 75 -21.648 -13.215 24.041 539 2HE LYS 75 2HE LYS 75 -21.512 -11.580 24.702 540 1HZ LYS 75 1HZ LYS 75 -23.735 -11.247 24.473 541 2HZ LYS 75 2HZ LYS 75 -23.867 -12.124 23.089 542 3HZ LYS 75 3HZ LYS 75 -23.810 -12.889 24.542 543 H THR 76 H THR 76 -19.859 -9.463 19.048 544 HA THR 76 HA THR 76 -17.001 -9.256 18.234 545 HB THR 76 HB THR 76 -18.577 -11.490 18.155 546 HG1 THR 76 HG1 THR 76 -16.855 -12.173 16.837 547 1HG2 THR 76 1HG2 THR 76 -18.405 -10.747 15.265 548 2HG2 THR 76 2HG2 THR 76 -19.450 -11.953 16.017 549 3HG2 THR 76 3HG2 THR 76 -19.847 -10.226 16.163 550 H ASP 77 H ASP 77 -19.216 -7.140 18.389 551 HA ASP 77 HA ASP 77 -20.393 -6.376 16.173 552 1HB ASP 77 1HB ASP 77 -18.483 -4.674 17.828 553 2HB ASP 77 2HB ASP 77 -19.588 -4.033 16.671 554 H HIS 78 H HIS 78 -19.743 -6.680 14.091 555 HA HIS 78 HA HIS 78 -16.911 -6.338 13.425 556 1HB HIS 78 1HB HIS 78 -17.821 -7.096 11.109 557 2HB HIS 78 2HB HIS 78 -17.661 -8.262 12.401 558 HD1 HIS 78 HD1 HIS 78 -20.129 -6.847 10.053 559 HD2 HIS 78 HD2 HIS 78 -20.150 -8.798 13.800 560 HE1 HIS 78 HE1 HIS 78 -22.511 -7.776 10.384 561 HE2 HIS 78 HE2 HIS 78 -22.524 -8.947 12.669 562 H TYR 79 H TYR 79 -18.809 -4.132 14.154 563 HA TYR 79 HA TYR 79 -19.559 -2.508 12.134 564 1HB TYR 79 1HB TYR 79 -19.462 -0.827 13.736 565 2HB TYR 79 2HB TYR 79 -19.819 -2.253 14.651 566 HD1 TYR 79 HD1 TYR 79 -18.179 0.616 15.132 567 HD2 TYR 79 HD2 TYR 79 -17.126 -3.490 14.970 568 HE1 TYR 79 HE1 TYR 79 -16.244 0.983 16.548 569 HE2 TYR 79 HE2 TYR 79 -15.197 -3.125 16.376 570 HH TYR 79 HH TYR 79 -13.921 -1.569 17.267 571 H LEU 80 H LEU 80 -18.622 -1.046 10.733 572 HA LEU 80 HA LEU 80 -15.760 -1.477 10.282 573 1HB LEU 80 1HB LEU 80 -18.100 -0.210 8.893 574 2HB LEU 80 2HB LEU 80 -16.549 0.566 8.619 575 HG LEU 80 HG LEU 80 -16.536 -2.385 8.364 576 1HD1 LEU 80 1HD1 LEU 80 -18.299 -0.633 6.723 577 2HD1 LEU 80 2HD1 LEU 80 -17.274 -1.739 5.806 578 3HD1 LEU 80 3HD1 LEU 80 -18.368 -2.378 7.038 579 1HD2 LEU 80 1HD2 LEU 80 -14.736 -0.468 7.891 580 2HD2 LEU 80 2HD2 LEU 80 -14.769 -1.973 6.965 581 3HD2 LEU 80 3HD2 LEU 80 -15.489 -0.575 6.295 582 H LEU 81 H LEU 81 -14.168 0.218 10.276 583 HA LEU 81 HA LEU 81 -14.884 2.618 11.793 584 1HB LEU 81 1HB LEU 81 -12.657 0.679 12.576 585 2HB LEU 81 2HB LEU 81 -12.825 2.244 13.224 586 HG LEU 81 HG LEU 81 -15.381 0.968 13.625 587 1HD1 LEU 81 1HD1 LEU 81 -13.556 -0.763 15.057 588 2HD1 LEU 81 2HD1 LEU 81 -15.033 -1.108 14.112 589 3HD1 LEU 81 3HD1 LEU 81 -13.509 -1.053 13.327 590 1HD2 LEU 81 1HD2 LEU 81 -15.125 2.269 15.327 591 2HD2 LEU 81 2HD2 LEU 81 -14.140 1.083 16.055 592 3HD2 LEU 81 3HD2 LEU 81 -13.367 2.337 15.209 593 H GLU 82 H GLU 82 -13.622 4.381 11.352 594 HA GLU 82 HA GLU 82 -11.784 3.991 9.070 595 1HB GLU 82 1HB GLU 82 -12.352 6.188 8.320 596 2HB GLU 82 2HB GLU 82 -13.890 5.345 8.677 597 1HG GLU 82 1HG GLU 82 -12.592 7.132 10.658 598 2HG GLU 82 2HG GLU 82 -13.619 7.772 9.428 599 H PHE 83 H PHE 83 -9.954 5.477 8.923 600 HA PHE 83 HA PHE 83 -9.162 6.669 11.480 601 1HB PHE 83 1HB PHE 83 -8.421 4.232 11.297 602 2HB PHE 83 2HB PHE 83 -7.403 4.776 9.989 603 HD1 PHE 83 HD1 PHE 83 -5.193 5.349 10.349 604 HD2 PHE 83 HD2 PHE 83 -8.078 5.694 13.508 605 HE1 PHE 83 HE1 PHE 83 -3.427 5.983 12.007 606 HE2 PHE 83 HE2 PHE 83 -6.269 6.300 15.120 607 HZ PHE 83 HZ PHE 83 -3.962 6.371 14.288 608 HA PRO 84 HA PRO 84 -7.629 9.566 8.447 609 1HB PRO 84 1HB PRO 84 -6.607 11.439 10.227 610 2HB PRO 84 2HB PRO 84 -8.314 11.334 9.733 611 1HG PRO 84 1HG PRO 84 -7.062 10.538 12.305 612 2HG PRO 84 2HG PRO 84 -8.770 10.905 11.938 613 1HD PRO 84 1HD PRO 84 -7.545 8.318 12.251 614 2HD PRO 84 2HD PRO 84 -9.197 8.669 11.749 615 H THR 85 H THR 85 -6.080 8.574 7.360 616 HA THR 85 HA THR 85 -3.449 8.356 8.665 617 HB THR 85 HB THR 85 -4.111 6.248 7.803 618 HG1 THR 85 HG1 THR 85 -2.693 7.533 5.735 619 1HG2 THR 85 1HG2 THR 85 -4.653 6.119 5.240 620 2HG2 THR 85 2HG2 THR 85 -5.951 6.625 6.339 621 3HG2 THR 85 3HG2 THR 85 -5.072 7.814 5.384 622 H PHE 86 H PHE 86 -2.057 9.898 8.387 623 HA PHE 86 HA PHE 86 -2.410 11.766 6.188 624 1HB PHE 86 1HB PHE 86 -0.319 11.464 8.401 625 2HB PHE 86 2HB PHE 86 -0.403 12.851 7.344 626 HD1 PHE 86 HD1 PHE 86 -1.296 11.702 10.483 627 HD2 PHE 86 HD2 PHE 86 -2.877 13.968 7.190 628 HE1 PHE 86 HE1 PHE 86 -2.920 12.907 11.987 629 HE2 PHE 86 HE2 PHE 86 -4.465 15.095 8.731 630 HZ PHE 86 HZ PHE 86 -4.479 14.507 11.140 631 HA PRO 87 HA PRO 87 0.637 10.081 3.526 632 1HB PRO 87 1HB PRO 87 1.716 12.393 2.373 633 2HB PRO 87 2HB PRO 87 0.160 11.654 1.955 634 1HG PRO 87 1HG PRO 87 0.642 14.127 3.467 635 2HG PRO 87 2HG PRO 87 -0.830 13.594 2.594 636 1HD PRO 87 1HD PRO 87 -0.332 13.516 5.402 637 2HD PRO 87 2HD PRO 87 -1.741 12.881 4.557 638 H ASP 88 H ASP 88 1.891 12.941 5.315 639 HA ASP 88 HA ASP 88 4.541 12.631 5.174 640 1HB ASP 88 1HB ASP 88 2.676 13.398 7.370 641 2HB ASP 88 2HB ASP 88 4.296 12.958 7.893 642 H GLY 89 H GLY 89 2.280 10.459 6.777 643 1HA GLY 89 1HA GLY 89 2.572 8.252 7.277 644 2HA GLY 89 2HA GLY 89 4.340 8.447 7.067 645 H HIS 90 H HIS 90 3.500 10.976 8.888 646 HA HIS 90 HA HIS 90 4.662 9.915 11.242 647 1HB HIS 90 1HB HIS 90 4.226 12.067 12.234 648 2HB HIS 90 2HB HIS 90 4.781 12.293 10.581 649 HD1 HIS 90 HD1 HIS 90 3.495 14.066 9.311 650 HD2 HIS 90 HD2 HIS 90 1.194 12.150 12.311 651 HE1 HIS 90 HE1 HIS 90 1.162 15.152 9.276 652 HE2 HIS 90 HE2 HIS 90 -0.249 13.949 11.078 653 H ASP 91 H ASP 91 3.800 8.833 12.904 654 HA ASP 91 HA ASP 91 1.174 7.819 12.798 655 1HB ASP 91 1HB ASP 91 2.913 6.639 13.998 656 2HB ASP 91 2HB ASP 91 3.214 8.039 15.043 657 H TYR 92 H TYR 92 -0.295 9.565 12.589 658 HA TYR 92 HA TYR 92 -0.524 11.912 13.815 659 1HB TYR 92 1HB TYR 92 -2.207 10.977 12.310 660 2HB TYR 92 2HB TYR 92 -2.573 9.705 13.376 661 HD1 TYR 92 HD1 TYR 92 -2.238 13.375 14.189 662 HD2 TYR 92 HD2 TYR 92 -4.858 9.973 13.859 663 HE1 TYR 92 HE1 TYR 92 -4.093 14.701 15.219 664 HE2 TYR 92 HE2 TYR 92 -6.701 11.324 14.922 665 HH TYR 92 HH TYR 92 -7.301 13.647 15.189 666 H LYS 93 H LYS 93 -1.175 12.792 15.782 667 HA LYS 93 HA LYS 93 -0.769 11.059 18.077 668 1HB LYS 93 1HB LYS 93 -1.128 13.251 19.321 669 2HB LYS 93 2HB LYS 93 0.289 13.134 18.273 670 1HG LYS 93 1HG LYS 93 -0.659 14.531 16.594 671 2HG LYS 93 2HG LYS 93 -2.307 14.294 17.185 672 1HD LYS 93 1HD LYS 93 -1.546 16.515 17.829 673 2HD LYS 93 2HD LYS 93 -1.737 15.512 19.264 674 1HE LYS 93 1HE LYS 93 0.796 15.035 18.975 675 2HE LYS 93 2HE LYS 93 0.806 16.389 17.835 676 1HZ LYS 93 1HZ LYS 93 0.633 17.831 19.524 677 2HZ LYS 93 2HZ LYS 93 -0.551 16.957 20.295 678 3HZ LYS 93 3HZ LYS 93 1.035 16.582 20.526 679 H PHE 94 H PHE 94 -2.691 9.789 17.193 680 HA PHE 94 HA PHE 94 -5.307 10.917 17.838 681 1HB PHE 94 1HB PHE 94 -6.026 8.569 17.159 682 2HB PHE 94 2HB PHE 94 -5.195 9.460 15.938 683 HD1 PHE 94 HD1 PHE 94 -4.891 6.682 18.310 684 HD2 PHE 94 HD2 PHE 94 -3.028 8.813 15.145 685 HE1 PHE 94 HE1 PHE 94 -3.182 4.853 18.059 686 HE2 PHE 94 HE2 PHE 94 -1.278 7.038 14.913 687 HZ PHE 94 HZ PHE 94 -1.391 5.052 16.354 688 H ASP 95 H ASP 95 -2.791 9.589 19.611 689 HA ASP 95 HA ASP 95 -4.568 8.204 21.535 690 1HB ASP 95 1HB ASP 95 -2.613 6.938 20.941 691 2HB ASP 95 2HB ASP 95 -1.560 8.356 21.123 692 H SER 96 H SER 96 -2.435 11.000 21.064 693 HA SER 96 HA SER 96 -2.537 11.763 23.847 694 1HB SER 96 1HB SER 96 -1.572 13.384 21.451 695 2HB SER 96 2HB SER 96 -1.257 13.723 23.166 696 HG SER 96 HG SER 96 0.452 12.521 21.933 697 H LYS 97 H LYS 97 -4.450 12.416 24.601 698 HA LYS 97 HA LYS 97 -6.530 13.566 23.040 699 1HB LYS 97 1HB LYS 97 -7.737 13.667 24.985 700 2HB LYS 97 2HB LYS 97 -6.500 12.499 25.447 701 1HG LYS 97 1HG LYS 97 -5.203 14.280 26.579 702 2HG LYS 97 2HG LYS 97 -6.411 15.482 26.056 703 1HD LYS 97 1HD LYS 97 -6.732 14.917 28.353 704 2HD LYS 97 2HD LYS 97 -8.140 14.531 27.341 705 1HE LYS 97 1HE LYS 97 -7.841 12.232 27.516 706 2HE LYS 97 2HE LYS 97 -6.090 12.353 27.714 707 1HZ LYS 97 1HZ LYS 97 -6.339 12.343 29.900 708 2HZ LYS 97 2HZ LYS 97 -7.396 13.612 29.873 709 3HZ LYS 97 3HZ LYS 97 -7.955 12.072 29.717 710 H LYS 98 H LYS 98 -4.092 15.123 25.151 711 HA LYS 98 HA LYS 98 -4.412 17.476 23.551 712 1HB LYS 98 1HB LYS 98 -4.538 19.005 25.405 713 2HB LYS 98 2HB LYS 98 -5.915 17.920 25.301 714 1HG LYS 98 1HG LYS 98 -5.497 16.990 27.342 715 2HG LYS 98 2HG LYS 98 -3.817 16.746 27.005 716 1HD LYS 98 1HD LYS 98 -3.455 19.250 27.390 717 2HD LYS 98 2HD LYS 98 -5.119 19.275 28.017 718 1HE LYS 98 1HE LYS 98 -4.540 17.639 29.744 719 2HE LYS 98 2HE LYS 98 -2.930 17.391 29.038 720 1HZ LYS 98 1HZ LYS 98 -2.342 19.618 29.602 721 2HZ LYS 98 2HZ LYS 98 -3.869 20.003 30.073 722 3HZ LYS 98 3HZ LYS 98 -2.972 18.943 30.959 723 HA PRO 99 HA PRO 99 -3.418 19.120 23.036 724 1HB PRO 99 1HB PRO 99 -1.606 19.673 21.052 725 2HB PRO 99 2HB PRO 99 -1.823 20.589 22.572 726 1HG PRO 99 1HG PRO 99 0.354 18.718 21.812 727 2HG PRO 99 2HG PRO 99 0.347 19.991 23.060 728 1HD PRO 99 1HD PRO 99 0.054 17.145 23.447 729 2HD PRO 99 2HD PRO 99 -0.064 18.421 24.687 730 H LYS 100 H LYS 100 -3.832 19.118 20.508 731 HA LYS 100 HA LYS 100 -3.569 16.405 19.411 732 1HB LYS 100 1HB LYS 100 -5.776 15.914 19.233 733 2HB LYS 100 2HB LYS 100 -5.708 16.675 20.789 734 1HG LYS 100 1HG LYS 100 -7.298 18.138 20.158 735 2HG LYS 100 2HG LYS 100 -6.182 18.866 19.093 736 1HD LYS 100 1HD LYS 100 -7.861 18.289 17.586 737 2HD LYS 100 2HD LYS 100 -6.749 16.936 17.410 738 1HE LYS 100 1HE LYS 100 -8.964 16.016 17.625 739 2HE LYS 100 2HE LYS 100 -8.058 15.637 19.108 740 1HZ LYS 100 1HZ LYS 100 -9.921 17.920 18.812 741 2HZ LYS 100 2HZ LYS 100 -10.298 16.502 19.571 742 3HZ LYS 100 3HZ LYS 100 -9.134 17.491 20.182 743 H GLU 101 H GLU 101 -3.652 16.334 17.157 744 HA GLU 101 HA GLU 101 -3.375 19.020 15.936 745 1HB GLU 101 1HB GLU 101 -1.618 16.965 15.793 746 2HB GLU 101 2HB GLU 101 -2.663 16.493 14.478 747 1HG GLU 101 1HG GLU 101 -1.901 19.400 14.549 748 2HG GLU 101 2HG GLU 101 -0.549 18.303 14.355 749 H ASN 102 H ASN 102 -4.127 19.169 13.598 750 HA ASN 102 HA ASN 102 -6.888 18.736 13.606 751 1HB ASN 102 1HB ASN 102 -5.018 20.148 12.015 752 2HB ASN 102 2HB ASN 102 -5.663 18.931 10.923 753 1HD2 ASN 102 1HD2 ASN 102 -6.822 20.280 9.669 754 2HD2 ASN 102 2HD2 ASN 102 -8.244 21.169 10.224 755 HA PRO 103 HA PRO 103 -7.155 14.640 12.024 756 1HB PRO 103 1HB PRO 103 -9.650 14.752 10.716 757 2HB PRO 103 2HB PRO 103 -9.409 14.579 12.462 758 1HG PRO 103 1HG PRO 103 -10.265 16.954 10.887 759 2HG PRO 103 2HG PRO 103 -10.509 16.596 12.627 760 1HD PRO 103 1HD PRO 103 -8.586 18.340 11.442 761 2HD PRO 103 2HD PRO 103 -8.736 17.920 13.161 762 H GLY 104 H GLY 104 -8.391 13.742 9.672 763 1HA GLY 104 1HA GLY 104 -6.858 15.071 7.542 764 2HA GLY 104 2HA GLY 104 -6.632 13.328 7.817 765 HA PRO 105 HA PRO 105 -10.477 14.231 5.217 766 1HB PRO 105 1HB PRO 105 -9.415 14.165 2.625 767 2HB PRO 105 2HB PRO 105 -9.773 15.646 3.553 768 1HG PRO 105 1HG PRO 105 -7.184 14.436 2.947 769 2HG PRO 105 2HG PRO 105 -7.516 16.096 3.436 770 1HD PRO 105 1HD PRO 105 -6.458 13.975 5.076 771 2HD PRO 105 2HD PRO 105 -6.944 15.610 5.581 772 H ALA 106 H ALA 106 -7.792 12.361 3.685 773 HA ALA 106 HA ALA 106 -9.535 10.183 3.086 774 1HB ALA 106 1HB ALA 106 -7.474 9.102 2.363 775 2HB ALA 106 2HB ALA 106 -7.641 10.765 1.780 776 3HB ALA 106 3HB ALA 106 -6.531 10.368 3.126 777 H ARG 107 H ARG 107 -9.790 8.221 4.065 778 HA ARG 107 HA ARG 107 -8.272 7.739 6.498 779 1HB ARG 107 1HB ARG 107 -11.338 7.784 6.388 780 2HB ARG 107 2HB ARG 107 -10.381 7.162 7.727 781 1HG ARG 107 1HG ARG 107 -9.310 9.668 7.479 782 2HG ARG 107 2HG ARG 107 -10.898 9.993 6.894 783 1HD ARG 107 1HD ARG 107 -10.852 8.352 9.370 784 2HD ARG 107 2HD ARG 107 -9.987 9.849 9.556 785 HE ARG 107 HE ARG 107 -12.868 9.532 9.028 786 1HH1 ARG 107 2HH2 ARG 107 -10.189 11.751 9.113 787 2HH1 ARG 107 1HH2 ARG 107 -11.128 13.145 9.277 788 1HH2 ARG 107 2HH1 ARG 107 -14.151 11.398 9.265 789 2HH2 ARG 107 1HH1 ARG 107 -13.384 12.954 9.386 790 H VAL 108 H VAL 108 -8.106 5.570 7.100 791 HA VAL 108 HA VAL 108 -8.659 3.725 4.883 792 HB VAL 108 HB VAL 108 -6.484 3.665 5.880 793 1HG1 VAL 108 1HG1 VAL 108 -7.952 3.504 8.480 794 2HG1 VAL 108 2HG1 VAL 108 -6.436 2.717 8.343 795 3HG1 VAL 108 3HG1 VAL 108 -6.533 4.458 8.019 796 1HG2 VAL 108 1HG2 VAL 108 -6.359 1.274 6.538 797 2HG2 VAL 108 2HG2 VAL 108 -8.121 1.225 6.672 798 3HG2 VAL 108 3HG2 VAL 108 -7.360 1.552 5.101 799 H ILE 109 H ILE 109 -10.342 2.426 4.759 800 HA ILE 109 HA ILE 109 -12.041 2.124 7.197 801 HB ILE 109 HB ILE 109 -12.735 1.854 4.261 802 1HG1 ILE 109 1HG1 ILE 109 -12.510 4.146 4.525 803 2HG1 ILE 109 2HG1 ILE 109 -14.217 3.884 4.926 804 1HG2 ILE 109 1HG2 ILE 109 -14.467 0.691 4.968 805 2HG2 ILE 109 2HG2 ILE 109 -14.092 1.081 6.693 806 3HG2 ILE 109 3HG2 ILE 109 -15.045 2.129 5.758 807 1HD1 ILE 109 1HD1 ILE 109 -11.931 4.514 6.744 808 2HD1 ILE 109 2HD1 ILE 109 -13.454 5.318 6.567 809 3HD1 ILE 109 3HD1 ILE 109 -13.386 3.712 7.362 810 H TYR 110 H TYR 110 -12.625 0.202 8.002 811 HA TYR 110 HA TYR 110 -12.028 -2.242 6.590 812 1HB TYR 110 1HB TYR 110 -10.287 -2.962 8.163 813 2HB TYR 110 2HB TYR 110 -9.775 -1.482 7.385 814 HD1 TYR 110 HD1 TYR 110 -8.985 0.298 8.701 815 HD2 TYR 110 HD2 TYR 110 -11.522 -2.652 10.527 816 HE1 TYR 110 HE1 TYR 110 -8.644 1.341 10.961 817 HE2 TYR 110 HE2 TYR 110 -11.243 -1.588 12.718 818 HH TYR 110 HH TYR 110 -8.881 0.954 13.208 819 H THR 111 H THR 111 -12.850 -4.087 7.672 820 HA THR 111 HA THR 111 -14.920 -3.401 9.654 821 HB THR 111 HB THR 111 -15.936 -5.428 8.979 822 HG1 THR 111 HG1 THR 111 -14.067 -6.754 9.276 823 1HG2 THR 111 1HG2 THR 111 -14.302 -4.746 6.495 824 2HG2 THR 111 2HG2 THR 111 -15.894 -5.483 6.559 825 3HG2 THR 111 3HG2 THR 111 -15.686 -3.812 7.000 826 H TYR 112 H TYR 112 -15.275 -4.864 11.499 827 HA TYR 112 HA TYR 112 -12.689 -5.554 12.658 828 1HB TYR 112 1HB TYR 112 -13.602 -3.832 13.899 829 2HB TYR 112 2HB TYR 112 -15.237 -4.457 13.721 830 HD1 TYR 112 HD1 TYR 112 -12.637 -4.069 16.004 831 HD2 TYR 112 HD2 TYR 112 -15.622 -6.915 14.875 832 HE1 TYR 112 HE1 TYR 112 -12.476 -5.209 18.250 833 HE2 TYR 112 HE2 TYR 112 -15.500 -7.994 17.043 834 HH TYR 112 HH TYR 112 -14.682 -7.845 19.091 835 HA PRO 113 HA PRO 113 -12.155 -6.450 14.590 836 1HB PRO 113 1HB PRO 113 -10.604 -8.611 15.184 837 2HB PRO 113 2HB PRO 113 -11.917 -7.987 16.218 838 1HG PRO 113 1HG PRO 113 -11.879 -10.425 14.520 839 2HG PRO 113 2HG PRO 113 -12.937 -10.029 15.907 840 1HD PRO 113 1HD PRO 113 -13.619 -9.878 13.100 841 2HD PRO 113 2HD PRO 113 -14.610 -9.367 14.472 842 H ASN 114 H ASN 114 -11.344 -9.235 12.560 843 HA ASN 114 HA ASN 114 -8.905 -8.456 11.703 844 1HB ASN 114 1HB ASN 114 -10.849 -10.326 10.829 845 2HB ASN 114 2HB ASN 114 -10.616 -9.328 9.413 846 1HD2 ASN 114 1HD2 ASN 114 -9.943 -11.760 9.073 847 2HD2 ASN 114 2HD2 ASN 114 -8.190 -11.994 9.099 848 H LYS 115 H LYS 115 -8.197 -6.550 10.922 849 HA LYS 115 HA LYS 115 -9.934 -4.536 9.941 850 1HB LYS 115 1HB LYS 115 -7.057 -4.870 10.511 851 2HB LYS 115 2HB LYS 115 -7.298 -3.849 9.111 852 1HG LYS 115 1HG LYS 115 -8.153 -2.172 10.266 853 2HG LYS 115 2HG LYS 115 -9.130 -3.218 11.328 854 1HD LYS 115 1HD LYS 115 -6.162 -2.818 11.619 855 2HD LYS 115 2HD LYS 115 -7.375 -1.860 12.480 856 1HE LYS 115 1HE LYS 115 -7.348 -3.475 14.053 857 2HE LYS 115 2HE LYS 115 -8.299 -4.438 12.926 858 1HZ LYS 115 1HZ LYS 115 -6.164 -5.423 13.879 859 2HZ LYS 115 2HZ LYS 115 -6.409 -5.563 12.246 860 3HZ LYS 115 3HZ LYS 115 -5.371 -4.426 12.822 861 H VAL 116 H VAL 116 -11.091 -5.827 8.402 862 HA VAL 116 HA VAL 116 -9.851 -6.816 6.029 863 HB VAL 116 HB VAL 116 -12.713 -6.095 6.632 864 1HG1 VAL 116 1HG1 VAL 116 -12.677 -6.123 4.303 865 2HG1 VAL 116 2HG1 VAL 116 -11.478 -7.424 4.243 866 3HG1 VAL 116 3HG1 VAL 116 -13.156 -7.729 4.718 867 1HG2 VAL 116 1HG2 VAL 116 -12.300 -7.902 8.048 868 2HG2 VAL 116 2HG2 VAL 116 -12.784 -8.759 6.617 869 3HG2 VAL 116 3HG2 VAL 116 -11.050 -8.575 6.998 870 H PHE 117 H PHE 117 -8.514 -4.797 5.804 871 HA PHE 117 HA PHE 117 -9.145 -2.286 5.240 872 1HB PHE 117 1HB PHE 117 -6.877 -3.151 5.012 873 2HB PHE 117 2HB PHE 117 -7.379 -4.243 3.719 874 HD1 PHE 117 HD1 PHE 117 -7.312 -0.580 4.487 875 HD2 PHE 117 HD2 PHE 117 -6.973 -3.660 1.513 876 HE1 PHE 117 HE1 PHE 117 -6.729 1.138 2.775 877 HE2 PHE 117 HE2 PHE 117 -6.360 -1.962 -0.194 878 HZ PHE 117 HZ PHE 117 -6.296 0.425 0.472 879 H CYS 118 H CYS 118 -10.987 -1.590 4.289 880 HA CYS 118 HA CYS 118 -12.044 -2.961 1.966 881 1HB CYS 118 1HB CYS 118 -13.072 -0.326 3.041 882 2HB CYS 118 2HB CYS 118 -13.922 -1.603 2.190 883 H GLY 119 H GLY 119 -10.561 0.197 2.814 884 1HA GLY 119 1HA GLY 119 -8.963 0.598 0.670 885 2HA GLY 119 2HA GLY 119 -10.547 1.107 0.046 886 H ILE 120 H ILE 120 -10.083 3.296 -0.115 887 HA ILE 120 HA ILE 120 -9.681 4.673 2.501 888 HB ILE 120 HB ILE 120 -8.503 5.617 -0.107 889 1HG1 ILE 120 1HG1 ILE 120 -7.555 3.283 0.980 890 2HG1 ILE 120 2HG1 ILE 120 -6.679 4.443 0.125 891 1HG2 ILE 120 1HG2 ILE 120 -8.906 7.288 1.749 892 2HG2 ILE 120 2HG2 ILE 120 -7.900 6.357 2.788 893 3HG2 ILE 120 3HG2 ILE 120 -7.193 7.076 1.316 894 1HD1 ILE 120 1HD1 ILE 120 -5.565 3.754 2.110 895 2HD1 ILE 120 2HD1 ILE 120 -5.877 5.474 2.166 896 3HD1 ILE 120 3HD1 ILE 120 -6.937 4.359 3.096 897 H ILE 121 H ILE 121 -10.886 6.501 2.817 898 HA ILE 121 HA ILE 121 -12.722 7.229 0.610 899 HB ILE 121 HB ILE 121 -14.626 7.138 1.908 900 1HG1 ILE 121 1HG1 ILE 121 -12.925 6.700 4.415 901 2HG1 ILE 121 2HG1 ILE 121 -13.673 8.213 3.913 902 1HG2 ILE 121 1HG2 ILE 121 -14.102 4.905 1.246 903 2HG2 ILE 121 2HG2 ILE 121 -12.886 4.691 2.515 904 3HG2 ILE 121 3HG2 ILE 121 -14.536 4.747 2.941 905 1HD1 ILE 121 1HD1 ILE 121 -15.116 7.260 5.499 906 2HD1 ILE 121 2HD1 ILE 121 -15.912 7.081 3.910 907 3HD1 ILE 121 3HD1 ILE 121 -15.076 5.743 4.679 908 H ALA 122 H ALA 122 -13.516 9.352 0.707 909 HA ALA 122 HA ALA 122 -12.874 11.242 2.728 910 1HB ALA 122 1HB ALA 122 -10.578 10.499 1.261 911 2HB ALA 122 2HB ALA 122 -11.024 12.123 0.688 912 3HB ALA 122 3HB ALA 122 -10.784 11.820 2.383 913 H HIS 123 H HIS 123 -14.150 12.961 2.342 914 HA HIS 123 HA HIS 123 -15.453 13.173 -0.284 915 1HB HIS 123 1HB HIS 123 -16.846 14.840 0.899 916 2HB HIS 123 2HB HIS 123 -16.923 13.195 1.495 917 HD1 HIS 123 HD1 HIS 123 -18.020 14.437 3.659 918 HD2 HIS 123 HD2 HIS 123 -13.893 14.959 2.938 919 HE1 HIS 123 HE1 HIS 123 -16.973 15.292 5.874 920 HE2 HIS 123 HE2 HIS 123 -14.424 15.580 5.370 921 H THR 124 H THR 124 -13.967 14.057 -1.641 922 HA THR 124 HA THR 124 -12.799 16.669 -0.850 923 HB THR 124 HB THR 124 -11.438 14.617 -1.758 924 HG1 THR 124 HG1 THR 124 -10.070 16.243 -2.347 925 1HG2 THR 124 1HG2 THR 124 -11.661 14.011 -3.957 926 2HG2 THR 124 2HG2 THR 124 -13.146 14.933 -4.005 927 3HG2 THR 124 3HG2 THR 124 -11.638 15.733 -4.455 928 H LYS 125 H LYS 125 -15.499 16.632 -1.282 929 HA LYS 125 HA LYS 125 -15.869 17.727 -4.026 930 1HB LYS 125 1HB LYS 125 -17.480 16.035 -3.008 931 2HB LYS 125 2HB LYS 125 -18.009 17.309 -1.893 932 1HG LYS 125 1HG LYS 125 -18.804 18.688 -3.699 933 2HG LYS 125 2HG LYS 125 -17.951 17.727 -4.919 934 1HD LYS 125 1HD LYS 125 -19.398 15.788 -4.460 935 2HD LYS 125 2HD LYS 125 -20.253 16.698 -3.198 936 1HE LYS 125 1HE LYS 125 -21.169 18.250 -4.786 937 2HE LYS 125 2HE LYS 125 -20.081 17.707 -6.073 938 1HZ LYS 125 1HZ LYS 125 -21.222 15.646 -6.193 939 2HZ LYS 125 2HZ LYS 125 -22.081 15.932 -4.818 940 3HZ LYS 125 3HZ LYS 125 -22.395 16.800 -6.175 941 H GLU 126 H GLU 126 -16.052 18.705 -0.573 942 HA GLU 126 HA GLU 126 -15.024 21.153 -0.834 943 1HB GLU 126 1HB GLU 126 -17.700 21.138 -2.047 944 2HB GLU 126 2HB GLU 126 -17.773 22.061 -0.667 945 1HG GLU 126 1HG GLU 126 -15.331 22.535 -2.359 946 2HG GLU 126 2HG GLU 126 -16.876 23.018 -3.045 947 H ASN 127 H ASN 127 -18.260 20.779 0.534 948 HA ASN 127 HA ASN 127 -17.272 19.988 3.109 949 1HB ASN 127 1HB ASN 127 -17.390 22.788 2.511 950 2HB ASN 127 2HB ASN 127 -18.830 22.496 3.435 951 1HD2 ASN 127 1HD2 ASN 127 -17.734 23.916 4.902 952 2HD2 ASN 127 2HD2 ASN 127 -16.633 23.215 6.096 953 H GLN 128 H GLN 128 -19.079 18.878 1.171 954 HA GLN 128 HA GLN 128 -21.223 18.248 2.833 955 1HB GLN 128 1HB GLN 128 -21.640 20.674 1.203 956 2HB GLN 128 2HB GLN 128 -22.790 19.423 0.750 957 1HG GLN 128 1HG GLN 128 -22.891 19.218 3.502 958 2HG GLN 128 2HG GLN 128 -22.570 20.935 3.301 959 1HE2 GLN 128 1HE2 GLN 128 -24.935 18.846 3.779 960 2HE2 GLN 128 2HE2 GLN 128 -26.254 19.623 2.897 961 H GLY 129 H GLY 129 -20.591 16.187 2.233 962 1HA GLY 129 1HA GLY 129 -21.964 14.888 0.221 963 2HA GLY 129 2HA GLY 129 -20.404 15.371 -0.531 964 H GLU 130 H GLU 130 -21.976 13.133 1.571 965 HA GLU 130 HA GLU 130 -20.211 12.155 3.298 966 1HB GLU 130 1HB GLU 130 -22.405 11.076 1.867 967 2HB GLU 130 2HB GLU 130 -21.080 9.951 1.589 968 1HG GLU 130 1HG GLU 130 -20.733 10.321 4.263 969 2HG GLU 130 2HG GLU 130 -22.455 10.702 4.154 970 H LEU 131 H LEU 131 -18.460 10.644 3.365 971 HA LEU 131 HA LEU 131 -16.420 11.238 1.483 972 1HB LEU 131 1HB LEU 131 -16.741 9.176 3.657 973 2HB LEU 131 2HB LEU 131 -15.308 9.254 2.635 974 HG LEU 131 HG LEU 131 -14.795 11.504 3.422 975 1HD1 LEU 131 1HD1 LEU 131 -17.017 12.322 3.745 976 2HD1 LEU 131 2HD1 LEU 131 -17.275 11.293 5.140 977 3HD1 LEU 131 3HD1 LEU 131 -16.043 12.593 5.171 978 1HD2 LEU 131 1HD2 LEU 131 -13.677 10.081 4.816 979 2HD2 LEU 131 2HD2 LEU 131 -14.684 10.899 6.005 980 3HD2 LEU 131 3HD2 LEU 131 -15.180 9.332 5.405 981 H LYS 132 H LYS 132 -15.471 10.014 -0.128 982 HA LYS 132 HA LYS 132 -17.164 7.814 -1.197 983 1HB LYS 132 1HB LYS 132 -16.179 8.741 -3.416 984 2HB LYS 132 2HB LYS 132 -17.671 9.353 -2.738 985 1HG LYS 132 1HG LYS 132 -16.535 11.306 -1.776 986 2HG LYS 132 2HG LYS 132 -14.958 10.637 -2.229 987 1HD LYS 132 1HD LYS 132 -16.440 10.723 -4.638 988 2HD LYS 132 2HD LYS 132 -16.866 12.215 -3.784 989 1HE LYS 132 1HE LYS 132 -14.329 12.547 -3.409 990 2HE LYS 132 2HE LYS 132 -14.075 11.205 -4.530 991 1HZ LYS 132 1HZ LYS 132 -14.030 13.356 -5.661 992 2HZ LYS 132 2HZ LYS 132 -15.275 12.438 -6.213 993 3HZ LYS 132 3HZ LYS 132 -15.571 13.685 -5.180 994 H LEU 133 H LEU 133 -16.089 6.193 -2.311 995 HA LEU 133 HA LEU 133 -13.650 5.415 -1.056 996 1HB LEU 133 1HB LEU 133 -15.357 3.867 -2.022 997 2HB LEU 133 2HB LEU 133 -14.926 4.370 -3.616 998 HG LEU 133 HG LEU 133 -12.491 3.544 -2.766 999 1HD1 LEU 133 1HD1 LEU 133 -12.800 1.503 -1.339 1000 2HD1 LEU 133 2HD1 LEU 133 -13.003 3.046 -0.495 1001 3HD1 LEU 133 3HD1 LEU 133 -14.436 2.115 -0.966 1002 1HD2 LEU 133 1HD2 LEU 133 -13.727 1.088 -3.379 1003 2HD2 LEU 133 2HD2 LEU 133 -14.708 2.293 -4.202 1004 3HD2 LEU 133 3HD2 LEU 133 -12.967 2.240 -4.495 1005 H CYS 134 H CYS 134 -11.588 5.847 -1.572 1006 HA CYS 134 HA CYS 134 -10.939 7.800 -3.533 1007 1HB CYS 134 1HB CYS 134 -9.032 6.015 -2.008 1008 2HB CYS 134 2HB CYS 134 -8.676 7.531 -2.740 1009 H SER 135 H SER 135 -8.688 7.027 -4.754 1010 HA SER 135 HA SER 135 -9.114 4.399 -6.029 1011 1HB SER 135 1HB SER 135 -9.210 7.003 -7.612 1012 2HB SER 135 2HB SER 135 -9.138 5.375 -8.303 1013 HG SER 135 HG SER 135 -11.147 5.180 -6.740 1014 H HIS 136 H HIS 136 -7.140 3.610 -5.645 1015 HA HIS 136 HA HIS 136 -4.763 5.259 -5.721 1016 1HB HIS 136 1HB HIS 136 -3.680 3.051 -5.422 1017 2HB HIS 136 2HB HIS 136 -4.711 3.494 -4.147 1018 HD1 HIS 136 HD1 HIS 136 -4.689 0.859 -3.621 1019 HD2 HIS 136 HD2 HIS 136 -6.761 2.093 -7.029 1020 HE1 HIS 136 HE1 HIS 136 -6.249 -1.104 -4.262 1021 HE2 HIS 136 HE2 HIS 136 -7.545 -0.262 -6.365 Start of MODEL 15 1 1H ALA 1 H1 ALA 1 1.412 0.948 0.425 2 2H ALA 1 H2 ALA 1 1.715 -0.671 0.669 3 3H ALA 1 H3 ALA 1 0.380 -0.234 -0.130 4 HA ALA 1 HA ALA 1 2.873 -0.765 -1.195 5 1HB ALA 1 1HB ALA 1 1.471 -1.297 -2.878 6 2HB ALA 1 2HB ALA 1 0.102 -0.512 -2.059 7 3HB ALA 1 3HB ALA 1 1.073 0.404 -3.184 8 H VAL 2 H VAL 2 3.107 0.960 -3.401 9 HA VAL 2 HA VAL 2 3.854 3.545 -2.108 10 HB VAL 2 HB VAL 2 5.748 1.945 -2.594 11 1HG1 VAL 2 1HG1 VAL 2 5.009 2.524 -5.459 12 2HG1 VAL 2 2HG1 VAL 2 6.453 1.654 -4.855 13 3HG1 VAL 2 3HG1 VAL 2 4.858 0.934 -4.678 14 1HG2 VAL 2 1HG2 VAL 2 7.007 3.768 -3.910 15 2HG2 VAL 2 2HG2 VAL 2 5.496 4.720 -3.721 16 3HG2 VAL 2 3HG2 VAL 2 6.384 4.160 -2.325 17 H THR 3 H THR 3 3.119 5.302 -3.059 18 HA THR 3 HA THR 3 1.297 5.023 -5.316 19 HB THR 3 HB THR 3 1.948 7.510 -3.714 20 HG1 THR 3 HG1 THR 3 0.218 6.756 -2.440 21 1HG2 THR 3 1HG2 THR 3 -0.460 7.892 -4.180 22 2HG2 THR 3 2HG2 THR 3 0.536 7.864 -5.682 23 3HG2 THR 3 3HG2 THR 3 -0.498 6.487 -5.229 24 H TRP 4 H TRP 4 1.891 5.339 -7.423 25 HA TRP 4 HA TRP 4 4.582 6.376 -7.970 26 1HB TRP 4 1HB TRP 4 2.390 5.153 -9.707 27 2HB TRP 4 2HB TRP 4 3.939 5.718 -10.236 28 HD1 TRP 4 HD1 TRP 4 2.909 3.322 -7.366 29 HE1 TRP 4 HE1 TRP 4 4.429 1.286 -7.544 30 HE3 TRP 4 HE3 TRP 4 5.700 4.583 -11.404 31 HZ2 TRP 4 HZ2 TRP 4 6.561 0.260 -9.137 32 HZ3 TRP 4 HZ3 TRP 4 7.479 3.097 -12.275 33 HH2 TRP 4 HH2 TRP 4 7.910 0.916 -11.154 34 H THR 5 H THR 5 5.023 8.299 -8.955 35 HA THR 5 HA THR 5 2.630 9.995 -9.719 36 HB THR 5 HB THR 5 4.599 10.462 -7.538 37 HG1 THR 5 HG1 THR 5 2.050 11.354 -8.144 38 1HG2 THR 5 1HG2 THR 5 4.230 12.894 -7.662 39 2HG2 THR 5 2HG2 THR 5 5.147 12.352 -9.068 40 3HG2 THR 5 3HG2 THR 5 3.393 12.696 -9.228 41 H CYS 6 H CYS 6 2.983 11.380 -11.300 42 HA CYS 6 HA CYS 6 5.673 11.296 -12.650 43 1HB CYS 6 1HB CYS 6 3.061 10.433 -13.698 44 2HB CYS 6 2HB CYS 6 3.764 11.731 -14.617 45 H GLY 7 H GLY 7 2.711 13.053 -13.453 46 1HA GLY 7 1HA GLY 7 4.159 15.553 -13.704 47 2HA GLY 7 2HA GLY 7 2.380 15.323 -13.855 48 H GLY 8 H GLY 8 1.095 15.409 -11.990 49 1HA GLY 8 1HA GLY 8 2.361 16.219 -9.409 50 2HA GLY 8 2HA GLY 8 1.184 17.315 -10.181 51 H LEU 9 H LEU 9 0.616 13.961 -10.735 52 HA LEU 9 HA LEU 9 -1.508 13.927 -8.623 53 1HB LEU 9 1HB LEU 9 -1.520 12.712 -11.423 54 2HB LEU 9 2HB LEU 9 -2.766 12.467 -10.196 55 HG LEU 9 HG LEU 9 -2.082 15.306 -11.130 56 1HD1 LEU 9 1HD1 LEU 9 -4.288 14.742 -12.600 57 2HD1 LEU 9 2HD1 LEU 9 -2.635 14.625 -13.183 58 3HD1 LEU 9 3HD1 LEU 9 -3.490 13.166 -12.655 59 1HD2 LEU 9 1HD2 LEU 9 -3.441 15.345 -9.212 60 2HD2 LEU 9 2HD2 LEU 9 -4.578 15.542 -10.533 61 3HD2 LEU 9 3HD2 LEU 9 -4.437 13.972 -9.731 62 H LEU 10 H LEU 10 -1.954 11.916 -7.711 63 HA LEU 10 HA LEU 10 0.433 10.111 -7.630 64 1HB LEU 10 1HB LEU 10 -1.630 11.072 -5.614 65 2HB LEU 10 2HB LEU 10 -1.033 9.473 -5.497 66 HG LEU 10 HG LEU 10 1.321 10.248 -5.359 67 1HD1 LEU 10 1HD1 LEU 10 0.325 13.134 -5.056 68 2HD1 LEU 10 2HD1 LEU 10 1.968 12.489 -5.470 69 3HD1 LEU 10 3HD1 LEU 10 0.721 12.516 -6.628 70 1HD2 LEU 10 1HD2 LEU 10 -0.682 10.474 -3.362 71 2HD2 LEU 10 2HD2 LEU 10 1.074 10.378 -3.136 72 3HD2 LEU 10 3HD2 LEU 10 0.275 11.936 -3.207 73 H TYR 11 H TYR 11 0.321 8.165 -8.227 74 HA TYR 11 HA TYR 11 -2.289 6.959 -9.110 75 1HB TYR 11 1HB TYR 11 0.495 6.695 -10.295 76 2HB TYR 11 2HB TYR 11 -0.944 5.867 -10.849 77 HD1 TYR 11 HD1 TYR 11 1.186 8.598 -11.426 78 HD2 TYR 11 HD2 TYR 11 -3.022 7.567 -11.336 79 HE1 TYR 11 HE1 TYR 11 0.657 10.531 -12.903 80 HE2 TYR 11 HE2 TYR 11 -3.523 9.461 -12.826 81 HH TYR 11 HH TYR 11 -2.665 11.041 -14.125 82 H ASN 12 H ASN 12 -2.692 5.806 -7.265 83 HA ASN 12 HA ASN 12 -0.741 4.314 -5.805 84 1HB ASN 12 1HB ASN 12 -3.600 4.666 -5.706 85 2HB ASN 12 2HB ASN 12 -3.328 2.932 -5.884 86 1HD2 ASN 12 1HD2 ASN 12 -1.068 2.352 -4.630 87 2HD2 ASN 12 2HD2 ASN 12 -1.273 2.809 -2.910 88 H GLN 13 H GLN 13 0.628 2.799 -6.612 89 HA GLN 13 HA GLN 13 0.475 1.527 -9.036 90 1HB GLN 13 1HB GLN 13 2.295 1.188 -7.694 91 2HB GLN 13 2HB GLN 13 1.450 0.504 -6.346 92 1HG GLN 13 1HG GLN 13 1.401 -1.623 -7.254 93 2HG GLN 13 2HG GLN 13 1.174 -1.052 -8.941 94 1HE2 GLN 13 1HE2 GLN 13 3.089 0.434 -9.565 95 2HE2 GLN 13 2HE2 GLN 13 4.593 -0.440 -9.528 96 H ASN 14 H ASN 14 -0.777 0.011 -6.026 97 HA ASN 14 HA ASN 14 -1.964 -2.236 -7.029 98 1HB ASN 14 1HB ASN 14 -2.118 -1.052 -4.621 99 2HB ASN 14 2HB ASN 14 -3.702 -0.537 -5.264 100 1HD2 ASN 14 1HD2 ASN 14 -3.629 -2.073 -3.084 101 2HD2 ASN 14 2HD2 ASN 14 -4.170 -3.720 -3.547 102 H LYS 15 H LYS 15 -3.133 1.082 -7.451 103 HA LYS 15 HA LYS 15 -5.631 0.275 -8.815 104 1HB LYS 15 1HB LYS 15 -4.453 2.781 -7.737 105 2HB LYS 15 2HB LYS 15 -5.149 3.024 -9.311 106 1HG LYS 15 1HG LYS 15 -7.253 2.656 -8.518 107 2HG LYS 15 2HG LYS 15 -6.787 1.357 -7.416 108 1HD LYS 15 1HD LYS 15 -5.689 3.126 -5.917 109 2HD LYS 15 2HD LYS 15 -6.507 4.337 -6.909 110 1HE LYS 15 1HE LYS 15 -8.128 4.038 -5.307 111 2HE LYS 15 2HE LYS 15 -8.634 2.755 -6.417 112 1HZ LYS 15 1HZ LYS 15 -8.015 1.177 -4.927 113 2HZ LYS 15 2HZ LYS 15 -6.612 1.950 -4.517 114 3HZ LYS 15 3HZ LYS 15 -8.030 2.386 -3.808 115 H ALA 16 H ALA 16 -2.502 1.812 -9.743 116 HA ALA 16 HA ALA 16 -3.000 1.945 -12.527 117 1HB ALA 16 1HB ALA 16 -0.397 1.129 -11.224 118 2HB ALA 16 2HB ALA 16 -0.625 2.005 -12.747 119 3HB ALA 16 3HB ALA 16 -0.975 2.817 -11.207 120 H GLU 17 H GLU 17 -2.182 -0.844 -10.510 121 HA GLU 17 HA GLU 17 -2.058 -2.625 -12.855 122 1HB GLU 17 1HB GLU 17 -1.429 -4.345 -11.394 123 2HB GLU 17 2HB GLU 17 -0.493 -2.861 -11.001 124 1HG GLU 17 1HG GLU 17 -2.012 -2.440 -9.186 125 2HG GLU 17 2HG GLU 17 -2.925 -3.948 -9.472 126 H SER 18 H SER 18 -4.106 -2.055 -9.961 127 HA SER 18 HA SER 18 -5.985 -4.167 -10.510 128 1HB SER 18 1HB SER 18 -5.892 -3.227 -8.287 129 2HB SER 18 2HB SER 18 -6.368 -1.620 -8.924 130 HG SER 18 HG SER 18 -8.322 -2.278 -9.272 131 H ASN 19 H ASN 19 -6.364 -0.570 -10.901 132 HA ASN 19 HA ASN 19 -8.794 -0.575 -12.318 133 1HB ASN 19 1HB ASN 19 -7.310 1.406 -11.356 134 2HB ASN 19 2HB ASN 19 -6.607 1.317 -12.972 135 1HD2 ASN 19 1HD2 ASN 19 -8.557 0.905 -14.737 136 2HD2 ASN 19 2HD2 ASN 19 -9.807 2.153 -14.511 137 H SER 20 H SER 20 -5.537 -1.456 -13.278 138 HA SER 20 HA SER 20 -6.229 -1.417 -16.161 139 1HB SER 20 1HB SER 20 -3.975 -1.979 -16.610 140 2HB SER 20 2HB SER 20 -4.065 -0.719 -15.326 141 HG SER 20 HG SER 20 -3.450 -3.480 -15.031 142 H HIS 21 H HIS 21 -5.970 -3.676 -13.495 143 HA HIS 21 HA HIS 21 -5.713 -6.134 -14.838 144 1HB HIS 21 1HB HIS 21 -6.980 -5.361 -12.164 145 2HB HIS 21 2HB HIS 21 -7.262 -6.924 -12.793 146 HD1 HIS 21 HD1 HIS 21 -5.936 -7.624 -10.514 147 HD2 HIS 21 HD2 HIS 21 -3.754 -5.667 -13.543 148 HE1 HIS 21 HE1 HIS 21 -3.406 -8.020 -9.997 149 HE2 HIS 21 HE2 HIS 21 -2.079 -6.795 -11.827 150 H HIS 22 H HIS 22 -8.590 -4.068 -14.345 151 HA HIS 22 HA HIS 22 -10.402 -5.957 -15.442 152 1HB HIS 22 1HB HIS 22 -11.052 -3.060 -15.626 153 2HB HIS 22 2HB HIS 22 -11.980 -4.400 -14.984 154 HD1 HIS 22 HD1 HIS 22 -11.493 -1.437 -13.713 155 HD2 HIS 22 HD2 HIS 22 -9.789 -5.175 -12.589 156 HE1 HIS 22 HE1 HIS 22 -10.712 -1.209 -11.258 157 HE2 HIS 22 HE2 HIS 22 -9.664 -3.555 -10.561 158 H ALA 23 H ALA 23 -8.609 -3.147 -16.729 159 HA ALA 23 HA ALA 23 -9.562 -2.815 -19.147 160 1HB ALA 23 1HB ALA 23 -7.701 -1.663 -19.543 161 2HB ALA 23 2HB ALA 23 -7.300 -2.005 -17.889 162 3HB ALA 23 3HB ALA 23 -6.630 -3.052 -19.141 163 HA PRO 24 HA PRO 24 -9.210 -6.901 -20.948 164 1HB PRO 24 1HB PRO 24 -9.971 -6.189 -23.584 165 2HB PRO 24 2HB PRO 24 -11.075 -6.552 -22.193 166 1HG PRO 24 1HG PRO 24 -10.338 -4.072 -23.432 167 2HG PRO 24 2HG PRO 24 -11.833 -4.384 -22.444 168 1HD PRO 24 1HD PRO 24 -9.503 -2.949 -21.630 169 2HD PRO 24 2HD PRO 24 -10.841 -3.508 -20.625 170 H LEU 25 H LEU 25 -7.331 -7.817 -21.496 171 HA LEU 25 HA LEU 25 -5.118 -6.384 -22.457 172 1HB LEU 25 1HB LEU 25 -5.610 -8.915 -21.271 173 2HB LEU 25 2HB LEU 25 -5.070 -9.354 -22.860 174 HG LEU 25 HG LEU 25 -2.955 -8.323 -22.613 175 1HD1 LEU 25 1HD1 LEU 25 -4.235 -6.902 -20.354 176 2HD1 LEU 25 2HD1 LEU 25 -2.405 -7.150 -20.472 177 3HD1 LEU 25 3HD1 LEU 25 -3.225 -6.273 -21.658 178 1HD2 LEU 25 1HD2 LEU 25 -2.357 -9.339 -20.290 179 2HD2 LEU 25 2HD2 LEU 25 -3.951 -9.983 -20.272 180 3HD2 LEU 25 3HD2 LEU 25 -2.815 -10.396 -21.590 181 H SER 26 H SER 26 -5.612 -5.283 -24.253 182 HA SER 26 HA SER 26 -5.223 -6.604 -26.765 183 1HB SER 26 1HB SER 26 -8.003 -5.931 -25.948 184 2HB SER 26 2HB SER 26 -7.456 -5.765 -27.676 185 HG SER 26 HG SER 26 -8.178 -7.894 -27.492 186 H ASP 27 H ASP 27 -4.996 -5.068 -28.453 187 HA ASP 27 HA ASP 27 -4.482 -2.319 -27.556 188 1HB ASP 27 1HB ASP 27 -2.789 -2.610 -28.896 189 2HB ASP 27 2HB ASP 27 -3.416 -4.059 -29.572 190 H GLY 28 H GLY 28 -6.246 -1.056 -27.474 191 1HA GLY 28 1HA GLY 28 -8.097 0.104 -28.341 192 2HA GLY 28 2HA GLY 28 -7.463 -0.226 -29.974 193 H LYS 29 H LYS 29 -9.226 -1.672 -27.274 194 HA LYS 29 HA LYS 29 -11.181 -2.855 -29.169 195 1HB LYS 29 1HB LYS 29 -9.162 -4.409 -27.618 196 2HB LYS 29 2HB LYS 29 -10.778 -5.022 -27.447 197 1HG LYS 29 1HG LYS 29 -10.099 -4.359 -30.302 198 2HG LYS 29 2HG LYS 29 -9.029 -5.535 -29.584 199 1HD LYS 29 1HD LYS 29 -10.661 -6.961 -30.294 200 2HD LYS 29 2HD LYS 29 -11.418 -6.572 -28.749 201 1HE LYS 29 1HE LYS 29 -12.632 -4.650 -29.954 202 2HE LYS 29 2HE LYS 29 -11.977 -5.317 -31.466 203 1HZ LYS 29 1HZ LYS 29 -13.939 -6.450 -31.334 204 2HZ LYS 29 2HZ LYS 29 -13.021 -7.496 -30.452 205 3HZ LYS 29 3HZ LYS 29 -14.010 -6.424 -29.681 206 H THR 30 H THR 30 -11.030 -0.767 -27.114 207 HA THR 30 HA THR 30 -13.367 -1.711 -25.460 208 HB THR 30 HB THR 30 -12.400 -0.692 -23.600 209 HG1 THR 30 HG1 THR 30 -10.676 0.464 -25.504 210 1HG2 THR 30 1HG2 THR 30 -10.579 -1.822 -23.173 211 2HG2 THR 30 2HG2 THR 30 -10.842 -2.607 -24.750 212 3HG2 THR 30 3HG2 THR 30 -9.678 -1.299 -24.606 213 H GLY 31 H GLY 31 -14.905 -0.105 -25.009 214 1HA GLY 31 1HA GLY 31 -15.826 1.464 -26.964 215 2HA GLY 31 2HA GLY 31 -15.964 1.886 -25.247 216 H SER 32 H SER 32 -13.835 2.819 -24.331 217 HA SER 32 HA SER 32 -13.439 5.327 -25.657 218 1HB SER 32 1HB SER 32 -13.122 4.990 -23.210 219 2HB SER 32 2HB SER 32 -11.639 4.044 -23.559 220 HG SER 32 HG SER 32 -11.322 6.290 -23.013 221 H SER 33 H SER 33 -11.171 2.656 -25.169 222 HA SER 33 HA SER 33 -10.166 2.177 -27.583 223 1HB SER 33 1HB SER 33 -9.293 4.912 -26.800 224 2HB SER 33 2HB SER 33 -7.961 3.885 -27.308 225 HG SER 33 HG SER 33 -9.170 5.068 -29.022 226 H TYR 34 H TYR 34 -8.752 3.507 -24.593 227 HA TYR 34 HA TYR 34 -6.579 1.840 -24.518 228 1HB TYR 34 1HB TYR 34 -8.049 3.085 -22.190 229 2HB TYR 34 2HB TYR 34 -6.378 2.562 -22.226 230 HD1 TYR 34 HD1 TYR 34 -8.743 5.122 -23.388 231 HD2 TYR 34 HD2 TYR 34 -4.592 3.811 -23.329 232 HE1 TYR 34 HE1 TYR 34 -8.019 7.377 -24.220 233 HE2 TYR 34 HE2 TYR 34 -4.017 6.077 -24.097 234 HH TYR 34 HH TYR 34 -4.696 8.037 -25.147 235 HA PRO 35 HA PRO 35 -5.324 0.812 -22.936 236 1HB PRO 35 1HB PRO 35 -4.161 -1.670 -22.990 237 2HB PRO 35 2HB PRO 35 -4.629 -0.739 -21.520 238 1HG PRO 35 1HG PRO 35 -5.918 -3.121 -22.732 239 2HG PRO 35 2HG PRO 35 -6.001 -2.486 -21.067 240 1HD PRO 35 1HD PRO 35 -7.959 -2.211 -23.162 241 2HD PRO 35 2HD PRO 35 -8.029 -1.442 -21.550 242 H HIS 36 H HIS 36 -3.737 0.807 -24.496 243 HA HIS 36 HA HIS 36 -4.426 -0.442 -27.111 244 1HB HIS 36 1HB HIS 36 -3.884 1.630 -28.298 245 2HB HIS 36 2HB HIS 36 -5.374 1.710 -27.334 246 HD1 HIS 36 HD1 HIS 36 -4.821 4.374 -27.794 247 HD2 HIS 36 HD2 HIS 36 -2.472 2.238 -25.031 248 HE1 HIS 36 HE1 HIS 36 -3.571 6.133 -26.333 249 HE2 HIS 36 HE2 HIS 36 -2.098 4.665 -24.653 250 H TRP 37 H TRP 37 -2.680 -0.650 -28.587 251 HA TRP 37 HA TRP 37 -0.339 -1.665 -27.327 252 1HB TRP 37 1HB TRP 37 -0.866 -2.185 -29.630 253 2HB TRP 37 2HB TRP 37 -0.771 -0.515 -30.084 254 HD1 TRP 37 HD1 TRP 37 1.858 -2.687 -28.165 255 HE1 TRP 37 HE1 TRP 37 4.067 -2.497 -29.425 256 HE3 TRP 37 HE3 TRP 37 0.329 0.159 -32.064 257 HZ2 TRP 37 HZ2 TRP 37 5.068 -1.322 -31.814 258 HZ3 TRP 37 HZ3 TRP 37 1.915 0.808 -33.894 259 HH2 TRP 37 HH2 TRP 37 4.255 0.092 -33.676 260 H PHE 38 H PHE 38 1.690 -0.851 -26.996 261 HA PHE 38 HA PHE 38 1.981 2.105 -26.831 262 1HB PHE 38 1HB PHE 38 1.593 0.990 -24.565 263 2HB PHE 38 2HB PHE 38 2.831 -0.090 -24.935 264 HD1 PHE 38 HD1 PHE 38 2.926 3.574 -25.697 265 HD2 PHE 38 HD2 PHE 38 4.412 0.374 -23.243 266 HE1 PHE 38 HE1 PHE 38 4.554 5.117 -24.689 267 HE2 PHE 38 HE2 PHE 38 6.099 1.935 -22.254 268 HZ PHE 38 HZ PHE 38 6.193 4.241 -22.991 269 H THR 39 H THR 39 2.915 1.691 -28.981 270 HA THR 39 HA THR 39 5.062 0.225 -29.779 271 HB THR 39 HB THR 39 5.711 2.153 -31.117 272 HG1 THR 39 HG1 THR 39 5.196 4.151 -30.581 273 1HG2 THR 39 1HG2 THR 39 3.821 2.173 -32.330 274 2HG2 THR 39 2HG2 THR 39 3.087 1.307 -30.950 275 3HG2 THR 39 3HG2 THR 39 2.864 2.987 -31.072 276 H ASN 40 H ASN 40 5.150 2.838 -27.415 277 HA ASN 40 HA ASN 40 6.738 3.425 -25.847 278 1HB ASN 40 1HB ASN 40 6.784 0.926 -25.410 279 2HB ASN 40 2HB ASN 40 8.151 0.823 -26.532 280 1HD2 ASN 40 1HD2 ASN 40 9.262 -0.104 -24.777 281 2HD2 ASN 40 2HD2 ASN 40 10.074 1.028 -23.662 282 H GLY 41 H GLY 41 7.070 3.567 -28.948 283 1HA GLY 41 1HA GLY 41 8.526 5.357 -29.916 284 2HA GLY 41 2HA GLY 41 9.801 4.658 -28.940 285 H TYR 42 H TYR 42 8.177 1.961 -29.905 286 HA TYR 42 HA TYR 42 10.051 1.297 -32.013 287 1HB TYR 42 1HB TYR 42 7.713 -0.138 -30.714 288 2HB TYR 42 2HB TYR 42 8.658 -0.861 -31.914 289 HD1 TYR 42 HD1 TYR 42 10.191 -2.348 -31.140 290 HD2 TYR 42 HD2 TYR 42 9.507 1.072 -28.634 291 HE1 TYR 42 HE1 TYR 42 11.898 -3.132 -29.519 292 HE2 TYR 42 HE2 TYR 42 11.063 0.220 -27.022 293 HH TYR 42 HH TYR 42 13.421 -1.792 -27.566 294 H ASP 43 H ASP 43 9.251 0.206 -33.974 295 HA ASP 43 HA ASP 43 7.227 1.960 -35.290 296 1HB ASP 43 1HB ASP 43 9.473 0.191 -36.096 297 2HB ASP 43 2HB ASP 43 8.028 -0.139 -37.027 298 H GLY 44 H GLY 44 7.637 -1.386 -34.348 299 1HA GLY 44 1HA GLY 44 4.912 -1.982 -33.967 300 2HA GLY 44 2HA GLY 44 5.291 -2.457 -35.605 301 H ASP 45 H ASP 45 7.592 -3.619 -35.532 302 HA ASP 45 HA ASP 45 7.458 -5.771 -33.416 303 1HB ASP 45 1HB ASP 45 7.612 -5.822 -36.392 304 2HB ASP 45 2HB ASP 45 8.915 -6.706 -35.628 305 H GLY 46 H GLY 46 9.733 -4.373 -35.793 306 1HA GLY 46 1HA GLY 46 12.088 -5.115 -34.337 307 2HA GLY 46 2HA GLY 46 11.997 -3.854 -35.646 308 H LYS 47 H LYS 47 13.631 -3.509 -33.534 309 HA LYS 47 HA LYS 47 12.616 -2.080 -31.357 310 1HB LYS 47 1HB LYS 47 15.348 -1.548 -32.441 311 2HB LYS 47 2HB LYS 47 14.796 -1.506 -30.762 312 1HG LYS 47 1HG LYS 47 15.597 -3.623 -30.522 313 2HG LYS 47 2HG LYS 47 14.232 -4.165 -31.464 314 1HD LYS 47 1HD LYS 47 15.769 -3.476 -33.556 315 2HD LYS 47 2HD LYS 47 17.067 -3.641 -32.349 316 1HE LYS 47 1HE LYS 47 16.318 -5.962 -31.879 317 2HE LYS 47 2HE LYS 47 14.943 -5.749 -32.987 318 1HZ LYS 47 1HZ LYS 47 16.718 -5.239 -34.723 319 2HZ LYS 47 2HZ LYS 47 17.816 -5.881 -33.685 320 3HZ LYS 47 3HZ LYS 47 16.585 -6.814 -34.269 321 H LEU 48 H LEU 48 13.982 0.337 -31.260 322 HA LEU 48 HA LEU 48 12.066 1.881 -32.803 323 1HB LEU 48 1HB LEU 48 14.320 2.871 -30.989 324 2HB LEU 48 2HB LEU 48 12.899 3.704 -31.666 325 HG LEU 48 HG LEU 48 11.443 1.999 -30.434 326 1HD1 LEU 48 1HD1 LEU 48 12.892 0.375 -29.659 327 2HD1 LEU 48 2HD1 LEU 48 14.141 1.563 -29.195 328 3HD1 LEU 48 3HD1 LEU 48 12.608 1.362 -28.305 329 1HD2 LEU 48 1HD2 LEU 48 13.013 4.058 -28.802 330 2HD2 LEU 48 2HD2 LEU 48 11.642 4.399 -29.817 331 3HD2 LEU 48 3HD2 LEU 48 11.438 3.367 -28.402 332 HA PRO 49 HA PRO 49 14.759 2.718 -36.176 333 1HB PRO 49 1HB PRO 49 13.758 5.239 -36.991 334 2HB PRO 49 2HB PRO 49 13.032 3.631 -37.344 335 1HG PRO 49 1HG PRO 49 12.121 5.723 -35.430 336 2HG PRO 49 2HG PRO 49 11.189 4.367 -36.193 337 1HD PRO 49 1HD PRO 49 12.283 4.481 -33.563 338 2HD PRO 49 2HD PRO 49 11.453 3.121 -34.339 339 H LYS 50 H LYS 50 16.215 4.454 -37.074 340 HA LYS 50 HA LYS 50 18.073 5.282 -35.053 341 1HB LYS 50 1HB LYS 50 19.131 4.854 -37.007 342 2HB LYS 50 2HB LYS 50 17.885 5.555 -38.007 343 1HG LYS 50 1HG LYS 50 19.362 7.474 -36.193 344 2HG LYS 50 2HG LYS 50 20.319 6.771 -37.456 345 1HD LYS 50 1HD LYS 50 17.653 7.701 -38.476 346 2HD LYS 50 2HD LYS 50 18.536 8.971 -37.678 347 1HE LYS 50 1HE LYS 50 19.469 9.241 -39.688 348 2HE LYS 50 2HE LYS 50 20.555 7.931 -39.140 349 1HZ LYS 50 1HZ LYS 50 19.565 6.462 -40.559 350 2HZ LYS 50 2HZ LYS 50 18.051 7.069 -40.334 351 3HZ LYS 50 3HZ LYS 50 19.070 7.812 -41.387 352 H GLY 51 H GLY 51 17.076 6.505 -33.560 353 1HA GLY 51 1HA GLY 51 17.230 9.048 -33.030 354 2HA GLY 51 2HA GLY 51 16.119 9.260 -34.422 355 H ARG 52 H ARG 52 16.308 7.125 -31.512 356 HA ARG 52 HA ARG 52 13.809 8.206 -30.582 357 1HB ARG 52 1HB ARG 52 14.096 5.510 -31.911 358 2HB ARG 52 2HB ARG 52 13.304 5.552 -30.368 359 1HG ARG 52 1HG ARG 52 12.424 7.016 -32.832 360 2HG ARG 52 2HG ARG 52 11.568 5.717 -32.023 361 1HD ARG 52 1HD ARG 52 10.391 7.194 -30.855 362 2HD ARG 52 2HD ARG 52 11.865 7.556 -29.973 363 HE ARG 52 HE ARG 52 11.841 8.988 -32.450 364 1HH1 ARG 52 2HH2 ARG 52 10.591 9.076 -29.260 365 2HH1 ARG 52 1HH2 ARG 52 10.340 10.809 -29.241 366 1HH2 ARG 52 2HH1 ARG 52 11.482 11.189 -32.463 367 2HH2 ARG 52 1HH1 ARG 52 10.838 11.993 -31.068 368 H THR 53 H THR 53 13.133 7.258 -28.503 369 HA THR 53 HA THR 53 15.412 6.174 -26.982 370 HB THR 53 HB THR 53 14.245 8.864 -26.444 371 HG1 THR 53 HG1 THR 53 16.121 9.393 -27.305 372 1HG2 THR 53 1HG2 THR 53 16.423 8.349 -24.731 373 2HG2 THR 53 2HG2 THR 53 14.716 8.452 -24.246 374 3HG2 THR 53 3HG2 THR 53 15.468 6.875 -24.605 375 HA PRO 54 HA PRO 54 11.478 4.282 -25.639 376 1HB PRO 54 1HB PRO 54 12.659 1.850 -24.808 377 2HB PRO 54 2HB PRO 54 12.028 2.261 -26.431 378 1HG PRO 54 1HG PRO 54 14.878 2.032 -25.485 379 2HG PRO 54 2HG PRO 54 14.285 1.905 -27.109 380 1HD PRO 54 1HD PRO 54 15.502 4.146 -25.967 381 2HD PRO 54 2HD PRO 54 14.746 4.060 -27.581 382 H ILE 55 H ILE 55 10.635 3.944 -23.626 383 HA ILE 55 HA ILE 55 12.015 5.298 -21.467 384 HB ILE 55 HB ILE 55 9.454 3.635 -21.295 385 1HG1 ILE 55 1HG1 ILE 55 9.953 6.484 -22.300 386 2HG1 ILE 55 2HG1 ILE 55 9.073 5.155 -23.087 387 1HG2 ILE 55 1HG2 ILE 55 9.034 5.156 -19.400 388 2HG2 ILE 55 2HG2 ILE 55 10.496 4.252 -19.177 389 3HG2 ILE 55 3HG2 ILE 55 10.552 5.993 -19.665 390 1HD1 ILE 55 1HD1 ILE 55 7.520 6.744 -22.280 391 2HD1 ILE 55 2HD1 ILE 55 7.403 5.229 -21.343 392 3HD1 ILE 55 3HD1 ILE 55 8.169 6.695 -20.656 393 H LYS 56 H LYS 56 13.451 4.476 -20.131 394 HA LYS 56 HA LYS 56 13.887 1.531 -20.117 395 1HB LYS 56 1HB LYS 56 15.873 2.841 -20.267 396 2HB LYS 56 2HB LYS 56 15.387 3.941 -18.965 397 1HG LYS 56 1HG LYS 56 17.016 2.504 -17.995 398 2HG LYS 56 2HG LYS 56 15.509 1.932 -17.362 399 1HD LYS 56 1HD LYS 56 15.888 -0.116 -18.161 400 2HD LYS 56 2HD LYS 56 15.892 0.474 -19.833 401 1HE LYS 56 1HE LYS 56 18.223 0.856 -19.861 402 2HE LYS 56 2HE LYS 56 18.334 0.815 -18.088 403 1HZ LYS 56 1HZ LYS 56 19.052 -1.300 -18.616 404 2HZ LYS 56 2HZ LYS 56 17.455 -1.617 -18.465 405 3HZ LYS 56 3HZ LYS 56 18.097 -1.458 -19.954 406 H PHE 57 H PHE 57 13.197 0.246 -18.663 407 HA PHE 57 HA PHE 57 11.923 1.264 -16.131 408 1HB PHE 57 1HB PHE 57 11.434 -1.385 -17.491 409 2HB PHE 57 2HB PHE 57 10.447 -0.549 -16.297 410 HD1 PHE 57 HD1 PHE 57 11.420 -0.851 -19.886 411 HD2 PHE 57 HD2 PHE 57 8.971 1.185 -17.056 412 HE1 PHE 57 HE1 PHE 57 10.062 0.085 -21.729 413 HE2 PHE 57 HE2 PHE 57 7.587 2.179 -18.998 414 HZ PHE 57 HZ PHE 57 8.198 1.668 -21.260 415 H GLY 58 H GLY 58 13.629 -1.553 -17.432 416 1HA GLY 58 1HA GLY 58 15.764 -2.168 -16.149 417 2HA GLY 58 2HA GLY 58 14.727 -2.118 -14.698 418 H LYS 59 H LYS 59 12.721 -3.214 -17.058 419 HA LYS 59 HA LYS 59 13.269 -6.070 -16.356 420 1HB LYS 59 1HB LYS 59 10.758 -4.497 -17.131 421 2HB LYS 59 2HB LYS 59 10.859 -6.249 -17.346 422 1HG LYS 59 1HG LYS 59 11.855 -5.831 -14.697 423 2HG LYS 59 2HG LYS 59 10.568 -4.635 -14.863 424 1HD LYS 59 1HD LYS 59 9.287 -6.419 -14.176 425 2HD LYS 59 2HD LYS 59 9.328 -6.734 -15.910 426 1HE LYS 59 1HE LYS 59 11.292 -8.237 -15.599 427 2HE LYS 59 2HE LYS 59 11.151 -7.975 -13.832 428 1HZ LYS 59 1HZ LYS 59 9.997 -9.982 -14.400 429 2HZ LYS 59 2HZ LYS 59 8.811 -8.855 -14.154 430 3HZ LYS 59 3HZ LYS 59 9.287 -9.267 -15.709 431 H SER 60 H SER 60 13.521 -7.603 -17.760 432 HA SER 60 HA SER 60 14.553 -6.745 -20.381 433 1HB SER 60 1HB SER 60 15.677 -8.492 -19.066 434 2HB SER 60 2HB SER 60 14.230 -9.534 -19.197 435 HG SER 60 HG SER 60 14.779 -9.961 -21.189 436 H ASP 61 H ASP 61 11.471 -7.262 -19.204 437 HA ASP 61 HA ASP 61 10.364 -8.693 -21.520 438 1HB ASP 61 1HB ASP 61 8.805 -7.280 -19.327 439 2HB ASP 61 2HB ASP 61 8.320 -8.611 -20.379 440 H CYS 62 H CYS 62 10.022 -5.483 -19.896 441 HA CYS 62 HA CYS 62 8.549 -4.426 -22.130 442 1HB CYS 62 1HB CYS 62 9.966 -2.680 -20.111 443 2HB CYS 62 2HB CYS 62 8.402 -2.414 -20.831 444 H ASP 63 H ASP 63 11.923 -4.541 -21.088 445 HA ASP 63 HA ASP 63 12.985 -2.566 -22.925 446 1HB ASP 63 1HB ASP 63 14.268 -3.410 -20.996 447 2HB ASP 63 2HB ASP 63 14.200 -5.062 -21.664 448 H ARG 64 H ARG 64 12.201 -6.044 -23.113 449 HA ARG 64 HA ARG 64 13.541 -6.544 -25.518 450 1HB ARG 64 1HB ARG 64 12.748 -8.532 -25.142 451 2HB ARG 64 2HB ARG 64 11.753 -7.937 -23.818 452 1HG ARG 64 1HG ARG 64 9.873 -7.430 -25.296 453 2HG ARG 64 2HG ARG 64 10.745 -8.290 -26.563 454 1HD ARG 64 1HD ARG 64 9.216 -9.380 -24.444 455 2HD ARG 64 2HD ARG 64 9.759 -10.040 -26.013 456 HE ARG 64 HE ARG 64 11.139 -10.365 -23.518 457 1HH1 ARG 64 2HH2 ARG 64 11.416 -10.525 -26.927 458 2HH1 ARG 64 1HH2 ARG 64 12.795 -11.608 -26.943 459 1HH2 ARG 64 2HH1 ARG 64 12.879 -11.719 -23.495 460 2HH2 ARG 64 1HH1 ARG 64 13.617 -12.262 -24.964 461 HA PRO 65 HA PRO 65 11.114 -4.664 -28.518 462 1HB PRO 65 1HB PRO 65 11.233 -6.458 -30.703 463 2HB PRO 65 2HB PRO 65 12.471 -5.251 -30.197 464 1HG PRO 65 1HG PRO 65 12.496 -8.204 -29.827 465 2HG PRO 65 2HG PRO 65 13.877 -7.025 -29.822 466 1HD PRO 65 1HD PRO 65 12.583 -8.216 -27.595 467 2HD PRO 65 2HD PRO 65 13.862 -6.987 -27.558 468 HA PRO 66 HA PRO 66 7.048 -6.502 -28.111 469 1HB PRO 66 1HB PRO 66 5.621 -4.578 -29.595 470 2HB PRO 66 2HB PRO 66 6.171 -4.404 -27.880 471 1HG PRO 66 1HG PRO 66 7.245 -3.057 -30.293 472 2HG PRO 66 2HG PRO 66 7.364 -2.596 -28.538 473 1HD PRO 66 1HD PRO 66 9.290 -3.997 -30.160 474 2HD PRO 66 2HD PRO 66 9.357 -3.549 -28.396 475 H LYS 67 H LYS 67 5.204 -7.122 -29.537 476 HA LYS 67 HA LYS 67 6.061 -7.772 -32.350 477 1HB LYS 67 1HB LYS 67 6.625 -9.722 -31.012 478 2HB LYS 67 2HB LYS 67 5.041 -9.739 -30.277 479 1HG LYS 67 1HG LYS 67 4.321 -11.108 -31.975 480 2HG LYS 67 2HG LYS 67 4.566 -9.796 -33.135 481 1HD LYS 67 1HD LYS 67 6.962 -10.378 -33.248 482 2HD LYS 67 2HD LYS 67 6.544 -11.901 -32.455 483 1HE LYS 67 1HE LYS 67 5.450 -12.701 -34.299 484 2HE LYS 67 2HE LYS 67 4.713 -11.126 -34.682 485 1HZ LYS 67 1HZ LYS 67 6.345 -11.778 -36.364 486 2HZ LYS 67 2HZ LYS 67 6.743 -10.357 -35.615 487 3HZ LYS 67 3HZ LYS 67 7.552 -11.742 -35.229 488 H HIS 68 H HIS 68 4.706 -5.656 -32.221 489 HA HIS 68 HA HIS 68 1.735 -6.344 -32.069 490 1HB HIS 68 1HB HIS 68 2.568 -4.219 -31.142 491 2HB HIS 68 2HB HIS 68 3.231 -3.745 -32.709 492 HD1 HIS 68 HD1 HIS 68 1.485 -3.072 -34.599 493 HD2 HIS 68 HD2 HIS 68 -0.150 -3.962 -30.829 494 HE1 HIS 68 HE1 HIS 68 -0.954 -2.210 -34.607 495 HE2 HIS 68 HE2 HIS 68 -1.996 -2.752 -32.311 496 H SER 69 H SER 69 0.421 -5.587 -33.907 497 HA SER 69 HA SER 69 1.550 -5.518 -36.566 498 1HB SER 69 1HB SER 69 0.894 -7.618 -37.401 499 2HB SER 69 2HB SER 69 1.698 -8.019 -35.864 500 HG SER 69 HG SER 69 -0.784 -7.734 -35.177 501 H LYS 70 H LYS 70 -0.847 -6.706 -37.774 502 HA LYS 70 HA LYS 70 -2.702 -4.392 -37.328 503 1HB LYS 70 1HB LYS 70 -1.809 -6.009 -39.607 504 2HB LYS 70 2HB LYS 70 -3.556 -6.033 -39.552 505 1HG LYS 70 1HG LYS 70 -3.849 -3.848 -39.907 506 2HG LYS 70 2HG LYS 70 -2.366 -3.316 -39.104 507 1HD LYS 70 1HD LYS 70 -1.056 -3.470 -40.905 508 2HD LYS 70 2HD LYS 70 -1.815 -4.943 -41.510 509 1HE LYS 70 1HE LYS 70 -3.720 -2.744 -41.627 510 2HE LYS 70 2HE LYS 70 -2.212 -2.270 -42.434 511 1HZ LYS 70 1HZ LYS 70 -4.160 -3.818 -43.541 512 2HZ LYS 70 2HZ LYS 70 -2.596 -3.768 -44.080 513 3HZ LYS 70 3HZ LYS 70 -3.088 -4.951 -43.049 514 H ASP 71 H ASP 71 -3.132 -5.284 -35.242 515 HA ASP 71 HA ASP 71 -5.719 -6.470 -35.171 516 1HB ASP 71 1HB ASP 71 -3.474 -8.401 -35.258 517 2HB ASP 71 2HB ASP 71 -4.342 -8.535 -33.745 518 H GLY 72 H GLY 72 -2.603 -6.269 -33.497 519 1HA GLY 72 1HA GLY 72 -2.373 -4.736 -31.575 520 2HA GLY 72 2HA GLY 72 -4.016 -5.232 -31.103 521 H ASN 73 H ASN 73 -4.085 -7.848 -31.122 522 HA ASN 73 HA ASN 73 -1.771 -8.864 -29.508 523 1HB ASN 73 1HB ASN 73 -3.679 -10.000 -28.175 524 2HB ASN 73 2HB ASN 73 -3.343 -8.399 -27.795 525 1HD2 ASN 73 1HD2 ASN 73 -4.624 -6.829 -29.179 526 2HD2 ASN 73 2HD2 ASN 73 -6.379 -7.158 -29.404 527 H GLY 74 H GLY 74 -1.486 -9.578 -31.868 528 1HA GLY 74 1HA GLY 74 -3.230 -11.508 -33.050 529 2HA GLY 74 2HA GLY 74 -1.463 -11.326 -33.348 530 H LYS 75 H LYS 75 -0.385 -13.112 -32.963 531 HA LYS 75 HA LYS 75 -1.555 -15.344 -31.434 532 1HB LYS 75 1HB LYS 75 1.151 -14.743 -32.757 533 2HB LYS 75 2HB LYS 75 1.035 -16.118 -31.641 534 1HG LYS 75 1HG LYS 75 -1.219 -16.524 -33.216 535 2HG LYS 75 2HG LYS 75 -0.035 -15.862 -34.365 536 1HD LYS 75 1HD LYS 75 1.604 -17.558 -33.591 537 2HD LYS 75 2HD LYS 75 0.409 -18.212 -32.435 538 1HE LYS 75 1HE LYS 75 -0.987 -19.068 -34.116 539 2HE LYS 75 2HE LYS 75 -0.331 -17.975 -35.351 540 1HZ LYS 75 1HZ LYS 75 0.595 -20.100 -35.770 541 2HZ LYS 75 2HZ LYS 75 1.809 -19.228 -35.099 542 3HZ LYS 75 3HZ LYS 75 1.017 -20.354 -34.195 543 H THR 76 H THR 76 1.646 -14.585 -30.546 544 HA THR 76 HA THR 76 0.690 -14.225 -27.708 545 HB THR 76 HB THR 76 2.327 -16.188 -28.649 546 HG1 THR 76 HG1 THR 76 1.557 -16.433 -26.690 547 1HG2 THR 76 1HG2 THR 76 4.607 -15.857 -28.158 548 2HG2 THR 76 2HG2 THR 76 4.179 -14.291 -28.900 549 3HG2 THR 76 3HG2 THR 76 4.249 -14.489 -27.135 550 H ASP 77 H ASP 77 1.235 -12.245 -30.080 551 HA ASP 77 HA ASP 77 3.304 -10.667 -29.962 552 1HB ASP 77 1HB ASP 77 0.420 -9.689 -29.613 553 2HB ASP 77 2HB ASP 77 1.765 -8.716 -30.064 554 H HIS 78 H HIS 78 4.567 -10.106 -28.262 555 HA HIS 78 HA HIS 78 3.324 -9.700 -25.586 556 1HB HIS 78 1HB HIS 78 5.855 -9.402 -24.982 557 2HB HIS 78 2HB HIS 78 5.196 -10.988 -25.275 558 HD1 HIS 78 HD1 HIS 78 7.892 -8.768 -26.337 559 HD2 HIS 78 HD2 HIS 78 5.601 -11.924 -28.003 560 HE1 HIS 78 HE1 HIS 78 9.256 -9.712 -28.340 561 HE2 HIS 78 HE2 HIS 78 7.863 -11.611 -29.388 562 H TYR 79 H TYR 79 3.094 -7.878 -27.914 563 HA TYR 79 HA TYR 79 4.376 -5.465 -27.798 564 1HB TYR 79 1HB TYR 79 2.525 -4.621 -28.898 565 2HB TYR 79 2HB TYR 79 2.596 -6.276 -29.431 566 HD1 TYR 79 HD1 TYR 79 0.252 -3.929 -28.802 567 HD2 TYR 79 HD2 TYR 79 1.263 -7.718 -27.149 568 HE1 TYR 79 HE1 TYR 79 -2.022 -4.399 -28.098 569 HE2 TYR 79 HE2 TYR 79 -0.975 -8.129 -26.499 570 HH TYR 79 HH TYR 79 -2.923 -7.025 -26.047 571 H LEU 80 H LEU 80 4.296 -3.644 -26.541 572 HA LEU 80 HA LEU 80 3.147 -4.071 -23.833 573 1HB LEU 80 1HB LEU 80 5.120 -2.255 -25.247 574 2HB LEU 80 2HB LEU 80 4.119 -1.455 -24.096 575 HG LEU 80 HG LEU 80 5.125 -3.998 -22.995 576 1HD1 LEU 80 1HD1 LEU 80 7.037 -1.902 -24.049 577 2HD1 LEU 80 2HD1 LEU 80 7.383 -2.808 -22.611 578 3HD1 LEU 80 3HD1 LEU 80 7.118 -3.685 -24.117 579 1HD2 LEU 80 1HD2 LEU 80 5.097 -2.829 -21.065 580 2HD2 LEU 80 2HD2 LEU 80 5.842 -1.448 -21.788 581 3HD2 LEU 80 3HD2 LEU 80 4.063 -1.751 -21.967 582 H LEU 81 H LEU 81 1.625 -2.645 -22.865 583 HA LEU 81 HA LEU 81 0.031 -0.979 -24.764 584 1HB LEU 81 1HB LEU 81 -1.122 -3.176 -22.993 585 2HB LEU 81 2HB LEU 81 -2.039 -1.954 -23.810 586 HG LEU 81 HG LEU 81 -0.458 -3.170 -25.869 587 1HD1 LEU 81 1HD1 LEU 81 -1.768 -5.503 -24.747 588 2HD1 LEU 81 2HD1 LEU 81 -0.136 -5.252 -25.448 589 3HD1 LEU 81 3HD1 LEU 81 -0.384 -5.023 -23.782 590 1HD2 LEU 81 1HD2 LEU 81 -3.311 -2.775 -25.238 591 2HD2 LEU 81 2HD2 LEU 81 -2.349 -2.708 -26.734 592 3HD2 LEU 81 3HD2 LEU 81 -2.971 -4.173 -26.091 593 H GLU 82 H GLU 82 -0.578 0.850 -23.910 594 HA GLU 82 HA GLU 82 -0.073 1.222 -20.998 595 1HB GLU 82 1HB GLU 82 0.174 3.519 -21.447 596 2HB GLU 82 2HB GLU 82 1.124 2.631 -22.700 597 1HG GLU 82 1HG GLU 82 -1.568 3.504 -23.398 598 2HG GLU 82 2HG GLU 82 -0.424 4.747 -23.170 599 H PHE 83 H PHE 83 -1.535 2.234 -19.671 600 HA PHE 83 HA PHE 83 -4.284 2.581 -20.828 601 1HB PHE 83 1HB PHE 83 -3.831 0.362 -19.598 602 2HB PHE 83 2HB PHE 83 -3.772 1.387 -18.173 603 HD1 PHE 83 HD1 PHE 83 -5.560 1.620 -16.766 604 HD2 PHE 83 HD2 PHE 83 -6.021 0.893 -20.969 605 HE1 PHE 83 HE1 PHE 83 -8.097 1.399 -16.532 606 HE2 PHE 83 HE2 PHE 83 -8.540 0.861 -20.704 607 HZ PHE 83 HZ PHE 83 -9.423 1.117 -18.453 608 HA PRO 84 HA PRO 84 -4.100 6.401 -18.489 609 1HB PRO 84 1HB PRO 84 -6.773 7.113 -18.640 610 2HB PRO 84 2HB PRO 84 -5.559 7.338 -19.938 611 1HG PRO 84 1HG PRO 84 -7.745 5.342 -19.747 612 2HG PRO 84 2HG PRO 84 -6.872 5.978 -21.188 613 1HD PRO 84 1HD PRO 84 -6.533 3.515 -19.822 614 2HD PRO 84 2HD PRO 84 -5.487 4.182 -21.108 615 H THR 85 H THR 85 -3.401 5.552 -16.586 616 HA THR 85 HA THR 85 -5.381 4.524 -14.798 617 HB THR 85 HB THR 85 -3.324 3.456 -14.701 618 HG1 THR 85 HG1 THR 85 -3.561 5.102 -12.503 619 1HG2 THR 85 1HG2 THR 85 -1.617 5.382 -13.416 620 2HG2 THR 85 2HG2 THR 85 -1.357 4.548 -14.959 621 3HG2 THR 85 3HG2 THR 85 -2.152 6.103 -14.926 622 H PHE 86 H PHE 86 -6.685 5.818 -13.576 623 HA PHE 86 HA PHE 86 -6.031 8.634 -13.267 624 1HB PHE 86 1HB PHE 86 -8.356 6.918 -12.443 625 2HB PHE 86 2HB PHE 86 -8.314 8.574 -12.062 626 HD1 PHE 86 HD1 PHE 86 -7.812 6.496 -15.193 627 HD2 PHE 86 HD2 PHE 86 -9.404 10.080 -13.455 628 HE1 PHE 86 HE1 PHE 86 -8.753 6.987 -17.335 629 HE2 PHE 86 HE2 PHE 86 -10.355 10.664 -15.703 630 HZ PHE 86 HZ PHE 86 -10.053 9.128 -17.618 631 HA PRO 87 HA PRO 87 -4.543 8.297 -9.131 632 1HB PRO 87 1HB PRO 87 -5.440 10.751 -8.052 633 2HB PRO 87 2HB PRO 87 -4.052 10.587 -9.177 634 1HG PRO 87 1HG PRO 87 -6.662 11.724 -9.772 635 2HG PRO 87 2HG PRO 87 -5.063 11.903 -10.611 636 1HD PRO 87 1HD PRO 87 -7.258 10.272 -11.373 637 2HD PRO 87 2HD PRO 87 -5.650 10.361 -12.137 638 H ASP 88 H ASP 88 -7.896 9.633 -9.282 639 HA ASP 88 HA ASP 88 -8.741 8.918 -6.707 640 1HB ASP 88 1HB ASP 88 -9.955 9.902 -9.082 641 2HB ASP 88 2HB ASP 88 -10.732 8.348 -8.828 642 H GLY 89 H GLY 89 -8.170 6.937 -9.515 643 1HA GLY 89 1HA GLY 89 -7.784 4.618 -9.603 644 2HA GLY 89 2HA GLY 89 -8.502 4.502 -7.961 645 H HIS 90 H HIS 90 -10.760 6.284 -9.019 646 HA HIS 90 HA HIS 90 -12.728 4.294 -9.273 647 1HB HIS 90 1HB HIS 90 -14.209 6.019 -10.022 648 2HB HIS 90 2HB HIS 90 -13.037 6.809 -8.963 649 HD1 HIS 90 HD1 HIS 90 -12.605 9.163 -9.822 650 HD2 HIS 90 HD2 HIS 90 -13.060 6.314 -12.922 651 HE1 HIS 90 HE1 HIS 90 -12.206 10.359 -12.123 652 HE2 HIS 90 HE2 HIS 90 -12.410 8.528 -13.973 653 H ASP 91 H ASP 91 -13.577 3.072 -10.923 654 HA ASP 91 HA ASP 91 -11.851 2.446 -13.206 655 1HB ASP 91 1HB ASP 91 -13.417 0.810 -12.313 656 2HB ASP 91 2HB ASP 91 -14.794 1.932 -12.506 657 H TYR 92 H TYR 92 -11.949 3.026 -15.265 658 HA TYR 92 HA TYR 92 -13.385 5.527 -15.901 659 1HB TYR 92 1HB TYR 92 -11.422 4.465 -17.832 660 2HB TYR 92 2HB TYR 92 -11.572 6.061 -17.162 661 HD1 TYR 92 HD1 TYR 92 -11.171 5.692 -14.319 662 HD2 TYR 92 HD2 TYR 92 -9.210 3.690 -17.560 663 HE1 TYR 92 HE1 TYR 92 -9.223 5.102 -12.819 664 HE2 TYR 92 HE2 TYR 92 -7.246 3.325 -16.014 665 HH TYR 92 HH TYR 92 -6.615 3.212 -13.839 666 H LYS 93 H LYS 93 -14.570 5.724 -17.847 667 HA LYS 93 HA LYS 93 -15.841 3.219 -18.708 668 1HB LYS 93 1HB LYS 93 -17.137 4.798 -20.193 669 2HB LYS 93 2HB LYS 93 -17.290 5.025 -18.432 670 1HG LYS 93 1HG LYS 93 -15.965 6.993 -18.407 671 2HG LYS 93 2HG LYS 93 -15.239 6.643 -19.999 672 1HD LYS 93 1HD LYS 93 -16.873 8.402 -20.201 673 2HD LYS 93 2HD LYS 93 -17.384 6.934 -21.024 674 1HE LYS 93 1HE LYS 93 -18.231 7.602 -18.217 675 2HE LYS 93 2HE LYS 93 -18.982 8.478 -19.565 676 1HZ LYS 93 1HZ LYS 93 -20.349 6.612 -19.345 677 2HZ LYS 93 2HZ LYS 93 -19.279 6.084 -20.522 678 3HZ LYS 93 3HZ LYS 93 -19.120 5.597 -18.959 679 H PHE 94 H PHE 94 -13.498 2.635 -19.250 680 HA PHE 94 HA PHE 94 -12.516 3.505 -21.837 681 1HB PHE 94 1HB PHE 94 -10.875 1.672 -21.514 682 2HB PHE 94 2HB PHE 94 -10.873 2.917 -20.254 683 HD1 PHE 94 HD1 PHE 94 -11.532 2.376 -18.003 684 HD2 PHE 94 HD2 PHE 94 -11.862 -0.616 -21.065 685 HE1 PHE 94 HE1 PHE 94 -11.985 0.740 -16.270 686 HE2 PHE 94 HE2 PHE 94 -12.265 -2.334 -19.283 687 HZ PHE 94 HZ PHE 94 -12.337 -1.638 -16.856 688 H ASP 95 H ASP 95 -14.776 1.182 -20.646 689 HA ASP 95 HA ASP 95 -14.659 -0.479 -23.153 690 1HB ASP 95 1HB ASP 95 -14.751 -1.699 -21.091 691 2HB ASP 95 2HB ASP 95 -16.094 -0.674 -20.495 692 H SER 96 H SER 96 -16.394 2.118 -21.676 693 HA SER 96 HA SER 96 -18.642 1.836 -23.659 694 1HB SER 96 1HB SER 96 -18.472 2.936 -20.859 695 2HB SER 96 2HB SER 96 -19.597 3.691 -22.024 696 HG SER 96 HG SER 96 -20.273 1.383 -22.393 697 H LYS 97 H LYS 97 -17.753 2.754 -25.388 698 HA LYS 97 HA LYS 97 -16.219 5.167 -25.349 699 1HB LYS 97 1HB LYS 97 -16.164 5.069 -27.621 700 2HB LYS 97 2HB LYS 97 -16.746 3.423 -27.251 701 1HG LYS 97 1HG LYS 97 -19.033 4.160 -27.569 702 2HG LYS 97 2HG LYS 97 -18.325 5.641 -28.317 703 1HD LYS 97 1HD LYS 97 -18.262 4.441 -30.232 704 2HD LYS 97 2HD LYS 97 -16.955 3.478 -29.524 705 1HE LYS 97 1HE LYS 97 -18.576 1.887 -30.203 706 2HE LYS 97 2HE LYS 97 -18.772 1.999 -28.442 707 1HZ LYS 97 1HZ LYS 97 -20.856 2.139 -29.948 708 2HZ LYS 97 2HZ LYS 97 -20.748 3.207 -28.704 709 3HZ LYS 97 3HZ LYS 97 -20.394 3.685 -30.246 710 H LYS 98 H LYS 98 -19.651 4.445 -25.382 711 HA LYS 98 HA LYS 98 -20.179 7.327 -25.304 712 1HB LYS 98 1HB LYS 98 -21.102 5.634 -27.348 713 2HB LYS 98 2HB LYS 98 -22.510 6.137 -26.364 714 1HG LYS 98 1HG LYS 98 -21.200 8.564 -26.556 715 2HG LYS 98 2HG LYS 98 -20.586 7.785 -28.025 716 1HD LYS 98 1HD LYS 98 -22.927 7.362 -28.738 717 2HD LYS 98 2HD LYS 98 -23.533 8.059 -27.222 718 1HE LYS 98 1HE LYS 98 -21.717 9.656 -29.078 719 2HE LYS 98 2HE LYS 98 -23.468 9.546 -29.367 720 1HZ LYS 98 1HZ LYS 98 -23.428 10.174 -26.777 721 2HZ LYS 98 2HZ LYS 98 -22.073 10.980 -27.263 722 3HZ LYS 98 3HZ LYS 98 -23.526 11.300 -27.957 723 HA PRO 99 HA PRO 99 -20.835 8.776 -24.139 724 1HB PRO 99 1HB PRO 99 -20.317 9.734 -21.633 725 2HB PRO 99 2HB PRO 99 -21.850 9.841 -22.591 726 1HG PRO 99 1HG PRO 99 -21.235 8.157 -20.224 727 2HG PRO 99 2HG PRO 99 -22.831 8.682 -20.869 728 1HD PRO 99 1HD PRO 99 -21.557 6.096 -21.198 729 2HD PRO 99 2HD PRO 99 -23.099 6.655 -21.929 730 H LYS 100 H LYS 100 -18.700 9.930 -23.381 731 HA LYS 100 HA LYS 100 -16.578 7.987 -22.620 732 1HB LYS 100 1HB LYS 100 -16.957 9.135 -25.275 733 2HB LYS 100 2HB LYS 100 -15.506 9.791 -24.605 734 1HG LYS 100 1HG LYS 100 -15.879 6.833 -24.141 735 2HG LYS 100 2HG LYS 100 -15.616 7.314 -25.817 736 1HD LYS 100 1HD LYS 100 -13.760 8.601 -23.889 737 2HD LYS 100 2HD LYS 100 -13.811 6.874 -23.923 738 1HE LYS 100 1HE LYS 100 -12.218 7.390 -25.671 739 2HE LYS 100 2HE LYS 100 -13.698 7.069 -26.567 740 1HZ LYS 100 1HZ LYS 100 -12.597 9.183 -27.202 741 2HZ LYS 100 2HZ LYS 100 -14.130 9.434 -26.636 742 3HZ LYS 100 3HZ LYS 100 -12.839 9.757 -25.670 743 H GLU 101 H GLU 101 -14.870 8.805 -21.542 744 HA GLU 101 HA GLU 101 -15.329 11.578 -20.515 745 1HB GLU 101 1HB GLU 101 -15.279 9.262 -19.010 746 2HB GLU 101 2HB GLU 101 -13.586 9.698 -19.001 747 1HG GLU 101 1HG GLU 101 -14.197 11.058 -17.267 748 2HG GLU 101 2HG GLU 101 -14.738 12.175 -18.520 749 H ASN 102 H ASN 102 -13.170 12.394 -19.523 750 HA ASN 102 HA ASN 102 -11.417 12.594 -21.802 751 1HB ASN 102 1HB ASN 102 -12.088 14.313 -19.649 752 2HB ASN 102 2HB ASN 102 -10.397 13.858 -19.365 753 1HD2 ASN 102 1HD2 ASN 102 -10.152 16.184 -19.706 754 2HD2 ASN 102 2HD2 ASN 102 -9.937 16.727 -21.395 755 HA PRO 103 HA PRO 103 -8.572 9.560 -20.269 756 1HB PRO 103 1HB PRO 103 -6.373 10.176 -21.980 757 2HB PRO 103 2HB PRO 103 -7.810 9.204 -22.390 758 1HG PRO 103 1HG PRO 103 -7.096 12.000 -23.159 759 2HG PRO 103 2HG PRO 103 -8.194 10.815 -23.986 760 1HD PRO 103 1HD PRO 103 -8.900 13.019 -22.286 761 2HD PRO 103 2HD PRO 103 -9.978 11.786 -23.021 762 H GLY 104 H GLY 104 -5.802 9.890 -20.149 763 1HA GLY 104 1HA GLY 104 -5.353 12.198 -18.398 764 2HA GLY 104 2HA GLY 104 -5.078 10.563 -17.693 765 HA PRO 105 HA PRO 105 -1.348 12.048 -20.217 766 1HB PRO 105 1HB PRO 105 0.229 13.100 -18.120 767 2HB PRO 105 2HB PRO 105 -0.816 14.040 -19.238 768 1HG PRO 105 1HG PRO 105 -1.263 13.384 -16.365 769 2HG PRO 105 2HG PRO 105 -1.982 14.703 -17.373 770 1HD PRO 105 1HD PRO 105 -3.180 12.202 -16.606 771 2HD PRO 105 2HD PRO 105 -3.839 13.464 -17.699 772 H ALA 106 H ALA 106 -1.283 10.924 -16.770 773 HA ALA 106 HA ALA 106 0.998 9.193 -17.302 774 1HB ALA 106 1HB ALA 106 -0.698 8.742 -14.938 775 2HB ALA 106 2HB ALA 106 1.058 9.033 -15.068 776 3HB ALA 106 3HB ALA 106 0.062 10.397 -15.167 777 H ARG 107 H ARG 107 0.966 7.006 -17.492 778 HA ARG 107 HA ARG 107 -1.570 5.571 -17.479 779 1HB ARG 107 1HB ARG 107 0.264 5.842 -19.956 780 2HB ARG 107 2HB ARG 107 -0.902 4.539 -19.746 781 1HG ARG 107 1HG ARG 107 -2.435 6.782 -19.280 782 2HG ARG 107 2HG ARG 107 -1.350 7.426 -20.381 783 1HD ARG 107 1HD ARG 107 -2.413 4.777 -21.218 784 2HD ARG 107 2HD ARG 107 -3.677 5.953 -20.897 785 HE ARG 107 HE ARG 107 -1.850 5.978 -23.043 786 1HH1 ARG 107 2HH2 ARG 107 -3.574 8.080 -20.951 787 2HH1 ARG 107 1HH2 ARG 107 -3.703 9.380 -21.997 788 1HH2 ARG 107 2HH1 ARG 107 -1.994 7.702 -24.540 789 2HH2 ARG 107 1HH1 ARG 107 -2.871 9.147 -24.062 790 H VAL 108 H VAL 108 -1.419 3.364 -17.304 791 HA VAL 108 HA VAL 108 1.129 2.449 -16.048 792 HB VAL 108 HB VAL 108 -0.960 1.952 -14.909 793 1HG1 VAL 108 1HG1 VAL 108 -1.852 0.910 -17.543 794 2HG1 VAL 108 2HG1 VAL 108 -2.396 0.106 -16.156 795 3HG1 VAL 108 3HG1 VAL 108 -2.700 1.855 -16.312 796 1HG2 VAL 108 1HG2 VAL 108 -0.714 -0.605 -14.870 797 2HG2 VAL 108 2HG2 VAL 108 0.473 -0.464 -16.136 798 3HG2 VAL 108 3HG2 VAL 108 0.734 0.380 -14.612 799 H ILE 109 H ILE 109 2.646 1.448 -17.030 800 HA ILE 109 HA ILE 109 2.116 0.269 -19.724 801 HB ILE 109 HB ILE 109 4.701 1.193 -18.381 802 1HG1 ILE 109 1HG1 ILE 109 3.639 3.195 -18.920 803 2HG1 ILE 109 2HG1 ILE 109 4.546 2.843 -20.449 804 1HG2 ILE 109 1HG2 ILE 109 5.049 -0.608 -19.874 805 2HG2 ILE 109 2HG2 ILE 109 4.147 0.284 -21.152 806 3HG2 ILE 109 3HG2 ILE 109 5.743 0.807 -20.534 807 1HD1 ILE 109 1HD1 ILE 109 2.391 1.779 -21.203 808 2HD1 ILE 109 2HD1 ILE 109 1.635 2.684 -19.881 809 3HD1 ILE 109 3HD1 ILE 109 2.476 3.581 -21.094 810 H TYR 110 H TYR 110 2.581 -1.699 -20.274 811 HA TYR 110 HA TYR 110 3.948 -3.515 -18.476 812 1HB TYR 110 1HB TYR 110 1.988 -4.828 -17.895 813 2HB TYR 110 2HB TYR 110 1.721 -3.203 -17.343 814 HD1 TYR 110 HD1 TYR 110 -0.270 -2.047 -17.889 815 HD2 TYR 110 HD2 TYR 110 0.920 -5.417 -20.301 816 HE1 TYR 110 HE1 TYR 110 -2.412 -1.993 -19.144 817 HE2 TYR 110 HE2 TYR 110 -1.112 -5.312 -21.581 818 HH TYR 110 HH TYR 110 -3.631 -2.909 -20.797 819 H THR 111 H THR 111 4.322 -5.476 -19.430 820 HA THR 111 HA THR 111 3.953 -5.554 -22.374 821 HB THR 111 HB THR 111 5.744 -7.006 -22.365 822 HG1 THR 111 HG1 THR 111 4.736 -7.809 -19.898 823 1HG2 THR 111 1HG2 THR 111 6.326 -5.985 -19.569 824 2HG2 THR 111 2HG2 THR 111 7.385 -6.222 -20.924 825 3HG2 THR 111 3HG2 THR 111 6.293 -4.847 -20.901 826 H TYR 112 H TYR 112 3.377 -7.606 -23.446 827 HA TYR 112 HA TYR 112 1.105 -8.750 -21.982 828 1HB TYR 112 1HB TYR 112 0.279 -7.621 -23.749 829 2HB TYR 112 2HB TYR 112 1.578 -8.143 -24.823 830 HD1 TYR 112 HD1 TYR 112 -1.796 -8.592 -24.192 831 HD2 TYR 112 HD2 TYR 112 1.675 -10.899 -25.205 832 HE1 TYR 112 HE1 TYR 112 -3.224 -10.469 -25.076 833 HE2 TYR 112 HE2 TYR 112 0.364 -12.664 -26.053 834 HH TYR 112 HH TYR 112 -1.828 -13.541 -26.028 835 HA PRO 113 HA PRO 113 -0.334 -10.418 -22.421 836 1HB PRO 113 1HB PRO 113 -0.973 -12.694 -21.107 837 2HB PRO 113 2HB PRO 113 -1.092 -12.444 -22.884 838 1HG PRO 113 1HG PRO 113 0.902 -14.037 -21.347 839 2HG PRO 113 2HG PRO 113 0.416 -14.174 -23.083 840 1HD PRO 113 1HD PRO 113 2.809 -12.910 -22.028 841 2HD PRO 113 2HD PRO 113 2.238 -12.908 -23.711 842 H ASN 114 H ASN 114 1.563 -12.219 -20.065 843 HA ASN 114 HA ASN 114 0.435 -11.284 -17.740 844 1HB ASN 114 1HB ASN 114 2.617 -12.794 -18.171 845 2HB ASN 114 2HB ASN 114 3.479 -11.279 -18.002 846 1HD2 ASN 114 1HD2 ASN 114 4.279 -12.735 -16.227 847 2HD2 ASN 114 2HD2 ASN 114 3.480 -12.528 -14.645 848 H LYS 115 H LYS 115 -0.081 -9.276 -17.186 849 HA LYS 115 HA LYS 115 1.071 -6.922 -18.378 850 1HB LYS 115 1HB LYS 115 -1.026 -7.565 -16.334 851 2HB LYS 115 2HB LYS 115 -0.341 -5.972 -16.110 852 1HG LYS 115 1HG LYS 115 -1.270 -5.099 -17.845 853 2HG LYS 115 2HG LYS 115 -0.954 -6.516 -18.914 854 1HD LYS 115 1HD LYS 115 -3.214 -6.150 -16.958 855 2HD LYS 115 2HD LYS 115 -3.276 -5.941 -18.671 856 1HE LYS 115 1HE LYS 115 -3.700 -8.227 -18.833 857 2HE LYS 115 2HE LYS 115 -1.996 -8.450 -18.466 858 1HZ LYS 115 1HZ LYS 115 -2.515 -9.117 -16.386 859 2HZ LYS 115 2HZ LYS 115 -3.674 -7.962 -16.194 860 3HZ LYS 115 3HZ LYS 115 -4.049 -9.371 -16.973 861 H VAL 116 H VAL 116 3.213 -7.611 -17.924 862 HA VAL 116 HA VAL 116 4.385 -7.528 -15.300 863 HB VAL 116 HB VAL 116 5.612 -7.281 -18.082 864 1HG1 VAL 116 1HG1 VAL 116 7.352 -6.414 -16.940 865 2HG1 VAL 116 2HG1 VAL 116 6.805 -6.996 -15.359 866 3HG1 VAL 116 3HG1 VAL 116 7.656 -8.082 -16.490 867 1HG2 VAL 116 1HG2 VAL 116 5.263 -9.578 -16.148 868 2HG2 VAL 116 2HG2 VAL 116 4.788 -9.437 -17.848 869 3HG2 VAL 116 3HG2 VAL 116 6.451 -9.607 -17.501 870 H PHE 117 H PHE 117 3.081 -5.565 -14.790 871 HA PHE 117 HA PHE 117 3.186 -3.034 -15.595 872 1HB PHE 117 1HB PHE 117 1.988 -3.753 -13.614 873 2HB PHE 117 2HB PHE 117 3.511 -4.139 -12.795 874 HD1 PHE 117 HD1 PHE 117 1.097 -1.571 -13.455 875 HD2 PHE 117 HD2 PHE 117 5.180 -2.261 -12.171 876 HE1 PHE 117 HE1 PHE 117 1.246 0.721 -12.513 877 HE2 PHE 117 HE2 PHE 117 5.332 -0.033 -11.441 878 HZ PHE 117 HZ PHE 117 3.388 1.506 -11.438 879 H CYS 118 H CYS 118 4.845 -1.931 -16.409 880 HA CYS 118 HA CYS 118 7.550 -2.286 -15.233 881 1HB CYS 118 1HB CYS 118 6.511 -1.774 -17.903 882 2HB CYS 118 2HB CYS 118 7.502 -0.440 -17.375 883 H GLY 119 H GLY 119 4.856 -0.110 -15.339 884 1HA GLY 119 1HA GLY 119 5.009 1.480 -13.294 885 2HA GLY 119 2HA GLY 119 6.443 2.093 -14.085 886 H ILE 120 H ILE 120 5.172 4.075 -13.911 887 HA ILE 120 HA ILE 120 3.122 4.224 -16.100 888 HB ILE 120 HB ILE 120 3.385 5.796 -13.489 889 1HG1 ILE 120 1HG1 ILE 120 0.884 5.039 -13.393 890 2HG1 ILE 120 2HG1 ILE 120 1.362 3.887 -14.627 891 1HG2 ILE 120 1HG2 ILE 120 2.696 7.275 -15.591 892 2HG2 ILE 120 2HG2 ILE 120 1.207 6.361 -15.504 893 3HG2 ILE 120 3HG2 ILE 120 1.831 7.321 -14.116 894 1HD1 ILE 120 1HD1 ILE 120 1.730 3.691 -11.792 895 2HD1 ILE 120 2HD1 ILE 120 2.234 2.583 -13.116 896 3HD1 ILE 120 3HD1 ILE 120 3.331 3.789 -12.475 897 H ILE 121 H ILE 121 3.293 5.899 -17.556 898 HA ILE 121 HA ILE 121 5.968 7.306 -17.503 899 HB ILE 121 HB ILE 121 6.140 7.046 -19.766 900 1HG1 ILE 121 1HG1 ILE 121 3.280 5.919 -20.003 901 2HG1 ILE 121 2HG1 ILE 121 3.680 7.614 -20.350 902 1HG2 ILE 121 1HG2 ILE 121 5.760 4.541 -20.201 903 2HG2 ILE 121 2HG2 ILE 121 6.815 5.105 -18.950 904 3HG2 ILE 121 3HG2 ILE 121 5.228 4.460 -18.561 905 1HD1 ILE 121 1HD1 ILE 121 3.699 6.610 -22.454 906 2HD1 ILE 121 2HD1 ILE 121 5.415 6.721 -21.951 907 3HD1 ILE 121 3HD1 ILE 121 4.576 5.224 -21.828 908 H ALA 122 H ALA 122 5.987 9.365 -18.423 909 HA ALA 122 HA ALA 122 3.700 10.820 -19.288 910 1HB ALA 122 1HB ALA 122 2.900 11.965 -17.392 911 2HB ALA 122 2HB ALA 122 3.285 10.442 -16.649 912 3HB ALA 122 3HB ALA 122 4.479 11.752 -16.560 913 H HIS 123 H HIS 123 4.175 13.072 -19.625 914 HA HIS 123 HA HIS 123 7.063 13.492 -19.998 915 1HB HIS 123 1HB HIS 123 4.849 15.341 -21.040 916 2HB HIS 123 2HB HIS 123 6.474 15.147 -21.621 917 HD1 HIS 123 HD1 HIS 123 6.699 13.671 -23.737 918 HD2 HIS 123 HD2 HIS 123 3.230 12.895 -21.389 919 HE1 HIS 123 HE1 HIS 123 5.286 11.920 -25.024 920 HE2 HIS 123 HE2 HIS 123 3.195 11.424 -23.565 921 H THR 124 H THR 124 7.865 14.022 -18.085 922 HA THR 124 HA THR 124 6.633 16.304 -16.595 923 HB THR 124 HB THR 124 7.266 14.055 -15.521 924 HG1 THR 124 HG1 THR 124 8.008 15.389 -13.696 925 1HG2 THR 124 1HG2 THR 124 9.763 14.606 -16.445 926 2HG2 THR 124 2HG2 THR 124 9.921 15.203 -14.850 927 3HG2 THR 124 3HG2 THR 124 9.428 13.499 -15.064 928 H LYS 125 H LYS 125 7.645 17.058 -18.927 929 HA LYS 125 HA LYS 125 10.267 18.454 -18.215 930 1HB LYS 125 1HB LYS 125 10.470 16.881 -20.082 931 2HB LYS 125 2HB LYS 125 9.195 17.720 -20.971 932 1HG LYS 125 1HG LYS 125 10.633 19.243 -21.749 933 2HG LYS 125 2HG LYS 125 11.179 19.715 -20.142 934 1HD LYS 125 1HD LYS 125 12.952 18.328 -20.017 935 2HD LYS 125 2HD LYS 125 12.303 17.199 -21.237 936 1HE LYS 125 1HE LYS 125 12.456 19.412 -22.776 937 2HE LYS 125 2HE LYS 125 13.753 19.796 -21.637 938 1HZ LYS 125 1HZ LYS 125 13.868 17.040 -22.579 939 2HZ LYS 125 2HZ LYS 125 13.916 18.044 -23.810 940 3HZ LYS 125 3HZ LYS 125 15.031 18.187 -22.615 941 H GLU 126 H GLU 126 6.920 18.820 -19.128 942 HA GLU 126 HA GLU 126 6.830 21.477 -18.240 943 1HB GLU 126 1HB GLU 126 7.921 21.271 -20.914 944 2HB GLU 126 2HB GLU 126 6.296 21.804 -21.118 945 1HG GLU 126 1HG GLU 126 7.991 23.105 -18.965 946 2HG GLU 126 2HG GLU 126 8.270 23.511 -20.656 947 H ASN 127 H ASN 127 5.379 19.906 -21.053 948 HA ASN 127 HA ASN 127 2.911 19.310 -19.581 949 1HB ASN 127 1HB ASN 127 2.933 21.831 -20.573 950 2HB ASN 127 2HB ASN 127 2.587 20.996 -22.093 951 1HD2 ASN 127 1HD2 ASN 127 0.808 19.262 -21.931 952 2HD2 ASN 127 2HD2 ASN 127 -0.587 19.792 -20.960 953 H GLN 128 H GLN 128 4.517 19.516 -22.731 954 HA GLN 128 HA GLN 128 3.913 16.750 -23.321 955 1HB GLN 128 1HB GLN 128 1.905 17.541 -24.139 956 2HB GLN 128 2HB GLN 128 2.595 19.043 -24.791 957 1HG GLN 128 1HG GLN 128 3.380 18.069 -26.701 958 2HG GLN 128 2HG GLN 128 3.658 16.471 -25.972 959 1HE2 GLN 128 1HE2 GLN 128 2.315 17.491 -28.432 960 2HE2 GLN 128 2HE2 GLN 128 0.736 16.651 -28.366 961 H GLY 129 H GLY 129 6.209 16.816 -22.986 962 1HA GLY 129 1HA GLY 129 7.640 17.600 -25.572 963 2HA GLY 129 2HA GLY 129 8.354 17.890 -23.966 964 H GLU 130 H GLU 130 9.462 16.277 -23.062 965 HA GLU 130 HA GLU 130 9.756 13.794 -24.677 966 1HB GLU 130 1HB GLU 130 11.555 15.408 -23.141 967 2HB GLU 130 2HB GLU 130 11.363 13.942 -22.216 968 1HG GLU 130 1HG GLU 130 12.807 12.892 -23.557 969 2HG GLU 130 2HG GLU 130 11.611 12.950 -24.842 970 H LEU 131 H LEU 131 9.684 11.659 -23.716 971 HA LEU 131 HA LEU 131 7.711 11.544 -21.435 972 1HB LEU 131 1HB LEU 131 7.422 10.578 -24.027 973 2HB LEU 131 2HB LEU 131 8.135 9.173 -23.203 974 HG LEU 131 HG LEU 131 5.624 10.661 -22.376 975 1HD1 LEU 131 1HD1 LEU 131 4.514 8.597 -22.999 976 2HD1 LEU 131 2HD1 LEU 131 5.252 9.303 -24.392 977 3HD1 LEU 131 3HD1 LEU 131 6.078 7.957 -23.625 978 1HD2 LEU 131 1HD2 LEU 131 5.354 8.781 -20.878 979 2HD2 LEU 131 2HD2 LEU 131 7.110 8.610 -20.946 980 3HD2 LEU 131 3HD2 LEU 131 6.322 10.124 -20.444 981 H LYS 132 H LYS 132 8.119 10.119 -19.769 982 HA LYS 132 HA LYS 132 10.535 8.482 -19.678 983 1HB LYS 132 1HB LYS 132 11.245 9.672 -17.563 984 2HB LYS 132 2HB LYS 132 11.573 10.466 -19.093 985 1HG LYS 132 1HG LYS 132 9.375 11.863 -18.679 986 2HG LYS 132 2HG LYS 132 9.401 11.168 -17.062 987 1HD LYS 132 1HD LYS 132 10.859 12.781 -16.544 988 2HD LYS 132 2HD LYS 132 12.060 12.164 -17.559 989 1HE LYS 132 1HE LYS 132 9.822 13.923 -18.722 990 2HE LYS 132 2HE LYS 132 11.286 14.621 -18.008 991 1HZ LYS 132 1HZ LYS 132 11.113 12.798 -20.341 992 2HZ LYS 132 2HZ LYS 132 11.759 14.329 -20.287 993 3HZ LYS 132 3HZ LYS 132 12.517 13.068 -19.546 994 H LEU 133 H LEU 133 10.666 7.529 -17.426 995 HA LEU 133 HA LEU 133 7.947 6.443 -16.871 996 1HB LEU 133 1HB LEU 133 10.213 5.082 -17.236 997 2HB LEU 133 2HB LEU 133 10.554 5.483 -15.598 998 HG LEU 133 HG LEU 133 8.233 4.462 -15.002 999 1HD1 LEU 133 1HD1 LEU 133 7.001 4.360 -16.928 1000 2HD1 LEU 133 2HD1 LEU 133 8.372 3.864 -17.915 1001 3HD1 LEU 133 3HD1 LEU 133 7.518 2.748 -16.822 1002 1HD2 LEU 133 1HD2 LEU 133 10.368 2.729 -16.302 1003 2HD2 LEU 133 2HD2 LEU 133 10.356 3.293 -14.634 1004 3HD2 LEU 133 3HD2 LEU 133 9.107 2.189 -15.136 1005 H CYS 134 H CYS 134 6.964 6.666 -14.927 1006 HA CYS 134 HA CYS 134 7.481 8.995 -13.335 1007 1HB CYS 134 1HB CYS 134 5.859 6.483 -12.653 1008 2HB CYS 134 2HB CYS 134 5.754 8.013 -11.868 1009 H SER 135 H SER 135 7.425 8.461 -10.822 1010 HA SER 135 HA SER 135 9.399 6.380 -10.035 1011 1HB SER 135 1HB SER 135 10.196 9.316 -9.688 1012 2HB SER 135 2HB SER 135 11.146 7.850 -9.295 1013 HG SER 135 HG SER 135 11.564 7.629 -11.428 1014 H HIS 136 H HIS 136 7.647 5.836 -8.719 1015 HA HIS 136 HA HIS 136 6.133 7.301 -6.899 1016 1HB HIS 136 1HB HIS 136 6.612 5.288 -5.418 1017 2HB HIS 136 2HB HIS 136 5.629 4.990 -6.809 1018 HD1 HIS 136 HD1 HIS 136 9.320 5.339 -7.184 1019 HD2 HIS 136 HD2 HIS 136 6.483 2.332 -6.869 1020 HE1 HIS 136 HE1 HIS 136 10.457 3.084 -8.076 1021 HE2 HIS 136 HE2 HIS 136 8.623 1.237 -7.763 Start of MODEL 16 1 1H ALA 1 H1 ALA 1 1.842 -0.559 0.675 2 2H ALA 1 H2 ALA 1 0.411 -0.451 -0.150 3 3H ALA 1 H3 ALA 1 1.199 0.933 0.321 4 HA ALA 1 HA ALA 1 1.442 -0.439 -2.049 5 1HB ALA 1 1HB ALA 1 3.015 1.458 -2.548 6 2HB ALA 1 2HB ALA 1 1.491 2.001 -1.837 7 3HB ALA 1 3HB ALA 1 2.950 1.920 -0.823 8 H VAL 2 H VAL 2 3.963 -0.338 -2.957 9 HA VAL 2 HA VAL 2 5.225 -2.554 -1.490 10 HB VAL 2 HB VAL 2 4.862 -2.725 -3.895 11 1HG1 VAL 2 1HG1 VAL 2 6.531 -0.201 -4.050 12 2HG1 VAL 2 2HG1 VAL 2 6.277 -1.314 -5.415 13 3HG1 VAL 2 3HG1 VAL 2 4.895 -0.491 -4.702 14 1HG2 VAL 2 1HG2 VAL 2 6.695 -3.989 -3.076 15 2HG2 VAL 2 2HG2 VAL 2 7.245 -3.210 -4.555 16 3HG2 VAL 2 3HG2 VAL 2 7.754 -2.576 -2.984 17 H THR 3 H THR 3 7.297 -2.481 -0.650 18 HA THR 3 HA THR 3 8.175 0.167 0.200 19 HB THR 3 HB THR 3 9.398 -2.513 0.948 20 HG1 THR 3 HG1 THR 3 7.069 -1.206 1.930 21 1HG2 THR 3 1HG2 THR 3 9.484 -1.305 3.184 22 2HG2 THR 3 2HG2 THR 3 10.522 -0.579 1.932 23 3HG2 THR 3 3HG2 THR 3 8.957 0.165 2.358 24 H TRP 4 H TRP 4 9.622 1.349 -0.917 25 HA TRP 4 HA TRP 4 11.172 0.079 -3.027 26 1HB TRP 4 1HB TRP 4 10.857 2.962 -2.111 27 2HB TRP 4 2HB TRP 4 11.825 2.400 -3.450 28 HD1 TRP 4 HD1 TRP 4 8.125 1.705 -2.495 29 HE1 TRP 4 HE1 TRP 4 6.686 2.069 -4.605 30 HE3 TRP 4 HE3 TRP 4 11.769 3.096 -5.731 31 HZ2 TRP 4 HZ2 TRP 4 7.049 2.871 -7.319 32 HZ3 TRP 4 HZ3 TRP 4 11.221 3.671 -8.077 33 HH2 TRP 4 HH2 TRP 4 8.883 3.579 -8.885 34 H THR 5 H THR 5 13.377 -0.158 -3.047 35 HA THR 5 HA THR 5 14.804 0.660 -0.572 36 HB THR 5 HB THR 5 14.261 -2.097 -1.580 37 HG1 THR 5 HG1 THR 5 13.517 -1.616 0.397 38 1HG2 THR 5 1HG2 THR 5 17.033 -1.150 -0.758 39 2HG2 THR 5 2HG2 THR 5 16.464 -2.716 -0.217 40 3HG2 THR 5 3HG2 THR 5 16.552 -2.377 -1.964 41 H CYS 6 H CYS 6 16.775 1.377 -0.856 42 HA CYS 6 HA CYS 6 17.898 1.258 -3.641 43 1HB CYS 6 1HB CYS 6 17.189 3.594 -2.046 44 2HB CYS 6 2HB CYS 6 18.891 3.568 -2.400 45 H GLY 7 H GLY 7 19.299 2.678 -0.689 46 1HA GLY 7 1HA GLY 7 21.643 0.899 -1.029 47 2HA GLY 7 2HA GLY 7 21.530 2.376 -0.021 48 H GLY 8 H GLY 8 20.477 -1.061 -0.258 49 1HA GLY 8 1HA GLY 8 19.672 -2.479 1.411 50 2HA GLY 8 2HA GLY 8 21.055 -1.852 2.325 51 H LEU 9 H LEU 9 18.356 0.216 1.412 52 HA LEU 9 HA LEU 9 17.427 0.278 4.233 53 1HB LEU 9 1HB LEU 9 17.880 2.602 2.308 54 2HB LEU 9 2HB LEU 9 17.049 2.727 3.832 55 HG LEU 9 HG LEU 9 19.738 1.497 4.090 56 1HD1 LEU 9 1HD1 LEU 9 19.738 4.478 3.535 57 2HD1 LEU 9 2HD1 LEU 9 21.089 3.299 3.511 58 3HD1 LEU 9 3HD1 LEU 9 19.912 3.343 2.206 59 1HD2 LEU 9 1HD2 LEU 9 19.436 3.866 5.653 60 2HD2 LEU 9 2HD2 LEU 9 17.931 2.936 5.750 61 3HD2 LEU 9 3HD2 LEU 9 19.466 2.163 6.145 62 H LEU 10 H LEU 10 15.244 0.821 4.450 63 HA LEU 10 HA LEU 10 13.628 0.001 2.105 64 1HB LEU 10 1HB LEU 10 12.587 0.181 4.938 65 2HB LEU 10 2HB LEU 10 12.035 -0.806 3.606 66 HG LEU 10 HG LEU 10 13.006 -2.282 5.130 67 1HD1 LEU 10 1HD1 LEU 10 13.778 -2.324 2.595 68 2HD1 LEU 10 2HD1 LEU 10 15.380 -2.061 3.284 69 3HD1 LEU 10 3HD1 LEU 10 14.421 -3.478 3.755 70 1HD2 LEU 10 1HD2 LEU 10 14.906 -1.986 6.404 71 2HD2 LEU 10 2HD2 LEU 10 15.722 -0.987 5.220 72 3HD2 LEU 10 3HD2 LEU 10 14.414 -0.292 6.195 73 H TYR 11 H TYR 11 11.771 1.185 1.550 74 HA TYR 11 HA TYR 11 11.295 3.823 2.767 75 1HB TYR 11 1HB TYR 11 12.133 3.358 -0.146 76 2HB TYR 11 2HB TYR 11 11.583 4.859 0.523 77 HD1 TYR 11 HD1 TYR 11 14.428 3.061 -0.410 78 HD2 TYR 11 HD2 TYR 11 12.960 5.504 2.797 79 HE1 TYR 11 HE1 TYR 11 16.774 3.591 0.297 80 HE2 TYR 11 HE2 TYR 11 15.299 6.079 3.449 81 HH TYR 11 HH TYR 11 17.411 5.811 3.037 82 H ASN 12 H ASN 12 9.245 3.024 3.307 83 HA ASN 12 HA ASN 12 7.510 1.645 1.519 84 1HB ASN 12 1HB ASN 12 7.341 2.715 4.164 85 2HB ASN 12 2HB ASN 12 6.081 3.561 3.273 86 1HD2 ASN 12 1HD2 ASN 12 4.760 2.105 1.743 87 2HD2 ASN 12 2HD2 ASN 12 4.308 0.555 2.474 88 H GLN 13 H GLN 13 6.634 2.303 -0.415 89 HA GLN 13 HA GLN 13 6.980 4.791 -1.533 90 1HB GLN 13 1HB GLN 13 6.109 2.952 -2.777 91 2HB GLN 13 2HB GLN 13 4.694 2.839 -1.794 92 1HG GLN 13 1HG GLN 13 3.540 4.380 -3.026 93 2HG GLN 13 2HG GLN 13 4.864 5.561 -2.941 94 1HE2 GLN 13 1HE2 GLN 13 6.917 4.597 -4.108 95 2HE2 GLN 13 2HE2 GLN 13 6.586 4.326 -5.795 96 H ASN 14 H ASN 14 4.555 3.896 0.850 97 HA ASN 14 HA ASN 14 2.884 6.204 0.585 98 1HB ASN 14 1HB ASN 14 2.580 3.928 1.976 99 2HB ASN 14 2HB ASN 14 3.387 4.849 3.262 100 1HD2 ASN 14 1HD2 ASN 14 0.578 3.843 2.834 101 2HD2 ASN 14 2HD2 ASN 14 -0.400 5.286 3.117 102 H LYS 15 H LYS 15 5.842 5.469 2.500 103 HA LYS 15 HA LYS 15 5.802 8.091 3.831 104 1HB LYS 15 1HB LYS 15 7.203 5.523 4.110 105 2HB LYS 15 2HB LYS 15 8.333 6.869 4.137 106 1HG LYS 15 1HG LYS 15 7.547 7.710 6.087 107 2HG LYS 15 2HG LYS 15 5.860 7.341 5.774 108 1HD LYS 15 1HD LYS 15 7.840 5.124 6.371 109 2HD LYS 15 2HD LYS 15 6.960 5.974 7.650 110 1HE LYS 15 1HE LYS 15 4.876 5.246 7.045 111 2HE LYS 15 2HE LYS 15 5.363 4.889 5.383 112 1HZ LYS 15 1HZ LYS 15 5.671 3.262 7.770 113 2HZ LYS 15 2HZ LYS 15 5.468 2.776 6.211 114 3HZ LYS 15 3HZ LYS 15 6.948 3.242 6.764 115 H ALA 16 H ALA 16 7.564 6.479 1.147 116 HA ALA 16 HA ALA 16 9.347 8.557 0.597 117 1HB ALA 16 1HB ALA 16 9.374 6.302 -0.443 118 2HB ALA 16 2HB ALA 16 7.890 6.752 -1.334 119 3HB ALA 16 3HB ALA 16 9.409 7.633 -1.629 120 H GLU 17 H GLU 17 5.909 8.243 -0.248 121 HA GLU 17 HA GLU 17 6.024 10.815 -1.648 122 1HB GLU 17 1HB GLU 17 3.843 10.368 -2.374 123 2HB GLU 17 2HB GLU 17 4.697 8.806 -2.433 124 1HG GLU 17 1HG GLU 17 3.696 8.267 -0.220 125 2HG GLU 17 2HG GLU 17 2.761 9.760 -0.263 126 H SER 18 H SER 18 4.490 9.382 1.259 127 HA SER 18 HA SER 18 3.111 11.643 2.100 128 1HB SER 18 1HB SER 18 2.634 9.482 3.101 129 2HB SER 18 2HB SER 18 4.275 9.438 3.795 130 HG SER 18 HG SER 18 3.264 10.214 5.429 131 H ASN 19 H ASN 19 6.275 10.364 3.312 132 HA ASN 19 HA ASN 19 7.048 12.373 5.019 133 1HB ASN 19 1HB ASN 19 8.415 10.340 4.576 134 2HB ASN 19 2HB ASN 19 8.814 11.014 2.966 135 1HD2 ASN 19 1HD2 ASN 19 8.642 12.457 6.216 136 2HD2 ASN 19 2HD2 ASN 19 10.267 13.137 6.084 137 H SER 20 H SER 20 6.952 12.412 1.501 138 HA SER 20 HA SER 20 8.247 15.017 1.336 139 1HB SER 20 1HB SER 20 8.673 14.389 -0.742 140 2HB SER 20 2HB SER 20 7.805 12.866 -0.440 141 HG SER 20 HG SER 20 6.031 13.632 -1.324 142 H HIS 21 H HIS 21 4.981 13.664 1.069 143 HA HIS 21 HA HIS 21 3.487 15.729 0.016 144 1HB HIS 21 1HB HIS 21 2.853 13.705 2.198 145 2HB HIS 21 2HB HIS 21 1.736 14.943 1.849 146 HD1 HIS 21 HD1 HIS 21 0.033 13.114 1.011 147 HD2 HIS 21 HD2 HIS 21 3.601 13.445 -1.207 148 HE1 HIS 21 HE1 HIS 21 -0.339 11.808 -1.197 149 HE2 HIS 21 HE2 HIS 21 1.855 12.018 -2.524 150 H HIS 22 H HIS 22 4.980 15.552 3.255 151 HA HIS 22 HA HIS 22 3.726 17.934 4.179 152 1HB HIS 22 1HB HIS 22 6.244 17.033 5.458 153 2HB HIS 22 2HB HIS 22 4.683 17.426 6.150 154 HD1 HIS 22 HD1 HIS 22 6.574 14.897 6.731 155 HD2 HIS 22 HD2 HIS 22 3.052 14.957 4.524 156 HE1 HIS 22 HE1 HIS 22 5.699 12.499 6.801 157 HE2 HIS 22 HE2 HIS 22 3.496 12.549 5.364 158 H ALA 23 H ALA 23 7.022 17.057 3.018 159 HA ALA 23 HA ALA 23 8.375 19.326 3.248 160 1HB ALA 23 1HB ALA 23 8.592 16.998 1.669 161 2HB ALA 23 2HB ALA 23 8.783 18.371 0.576 162 3HB ALA 23 3HB ALA 23 9.802 18.213 2.038 163 HA PRO 24 HA PRO 24 5.870 22.230 1.007 164 1HB PRO 24 1HB PRO 24 7.592 24.424 1.223 165 2HB PRO 24 2HB PRO 24 6.417 23.894 2.461 166 1HG PRO 24 1HG PRO 24 9.305 23.643 2.401 167 2HG PRO 24 2HG PRO 24 8.241 23.539 3.825 168 1HD PRO 24 1HD PRO 24 9.489 21.326 2.455 169 2HD PRO 24 2HD PRO 24 8.279 21.279 3.756 170 H LEU 25 H LEU 25 5.629 22.620 -1.078 171 HA LEU 25 HA LEU 25 7.529 21.710 -2.941 172 1HB LEU 25 1HB LEU 25 4.913 22.076 -3.089 173 2HB LEU 25 2HB LEU 25 5.382 23.685 -3.672 174 HG LEU 25 HG LEU 25 6.493 22.829 -5.511 175 1HD1 LEU 25 1HD1 LEU 25 6.536 20.224 -4.086 176 2HD1 LEU 25 2HD1 LEU 25 6.461 20.170 -5.870 177 3HD1 LEU 25 3HD1 LEU 25 7.763 21.025 -5.077 178 1HD2 LEU 25 1HD2 LEU 25 3.761 21.640 -4.941 179 2HD2 LEU 25 2HD2 LEU 25 4.215 22.783 -6.167 180 3HD2 LEU 25 3HD2 LEU 25 4.591 21.095 -6.435 181 H SER 26 H SER 26 9.439 22.552 -3.424 182 HA SER 26 HA SER 26 9.774 25.180 -4.380 183 1HB SER 26 1HB SER 26 10.071 24.811 -1.424 184 2HB SER 26 2HB SER 26 11.405 25.633 -2.232 185 HG SER 26 HG SER 26 8.874 26.431 -2.970 186 H ASP 27 H ASP 27 12.024 25.617 -4.966 187 HA ASP 27 HA ASP 27 13.543 23.060 -5.257 188 1HB ASP 27 1HB ASP 27 13.359 24.290 -7.322 189 2HB ASP 27 2HB ASP 27 13.612 25.767 -6.451 190 H GLY 28 H GLY 28 13.945 23.084 -2.870 191 1HA GLY 28 1HA GLY 28 15.598 23.283 -1.219 192 2HA GLY 28 2HA GLY 28 16.629 24.095 -2.418 193 H LYS 29 H LYS 29 13.905 24.514 -0.204 194 HA LYS 29 HA LYS 29 14.912 27.116 0.606 195 1HB LYS 29 1HB LYS 29 12.635 26.902 -1.289 196 2HB LYS 29 2HB LYS 29 12.288 27.908 0.094 197 1HG LYS 29 1HG LYS 29 14.797 28.836 -0.558 198 2HG LYS 29 2HG LYS 29 14.222 28.310 -2.135 199 1HD LYS 29 1HD LYS 29 13.317 30.411 -2.170 200 2HD LYS 29 2HD LYS 29 11.996 29.633 -1.307 201 1HE LYS 29 1HE LYS 29 14.198 30.443 0.501 202 2HE LYS 29 2HE LYS 29 13.587 31.812 -0.425 203 1HZ LYS 29 1HZ LYS 29 11.778 29.962 0.991 204 2HZ LYS 29 2HZ LYS 29 12.414 31.271 1.745 205 3HZ LYS 29 3HZ LYS 29 11.445 31.470 0.425 206 H THR 30 H THR 30 14.709 24.717 1.934 207 HA THR 30 HA THR 30 12.570 25.279 3.946 208 HB THR 30 HB THR 30 12.916 22.721 4.322 209 HG1 THR 30 HG1 THR 30 14.165 21.801 2.926 210 1HG2 THR 30 1HG2 THR 30 11.045 22.533 3.160 211 2HG2 THR 30 2HG2 THR 30 11.321 24.143 2.409 212 3HG2 THR 30 3HG2 THR 30 11.906 22.693 1.606 213 H GLY 31 H GLY 31 13.150 24.670 6.108 214 1HA GLY 31 1HA GLY 31 15.225 25.988 7.232 215 2HA GLY 31 2HA GLY 31 14.554 24.499 7.927 216 H SER 32 H SER 32 15.467 22.439 7.249 217 HA SER 32 HA SER 32 18.283 22.392 7.411 218 1HB SER 32 1HB SER 32 17.094 20.403 7.961 219 2HB SER 32 2HB SER 32 16.320 20.321 6.365 220 HG SER 32 HG SER 32 18.500 19.172 7.095 221 H SER 33 H SER 33 16.264 21.876 4.490 222 HA SER 33 HA SER 33 17.481 23.408 2.676 223 1HB SER 33 1HB SER 33 19.262 21.118 3.333 224 2HB SER 33 2HB SER 33 18.990 21.324 1.612 225 HG SER 33 HG SER 33 20.415 22.890 3.358 226 H TYR 34 H TYR 34 17.011 19.854 2.936 227 HA TYR 34 HA TYR 34 15.874 19.570 0.417 228 1HB TYR 34 1HB TYR 34 15.698 17.949 2.972 229 2HB TYR 34 2HB TYR 34 15.024 17.415 1.451 230 HD1 TYR 34 HD1 TYR 34 18.047 17.819 3.412 231 HD2 TYR 34 HD2 TYR 34 16.564 16.990 -0.556 232 HE1 TYR 34 HE1 TYR 34 20.294 16.896 2.761 233 HE2 TYR 34 HE2 TYR 34 18.800 16.114 -1.162 234 HH TYR 34 HH TYR 34 21.504 15.971 1.133 235 HA PRO 35 HA PRO 35 14.369 18.232 -0.492 236 1HB PRO 35 1HB PRO 35 12.548 18.800 -2.321 237 2HB PRO 35 2HB PRO 35 12.346 17.514 -1.204 238 1HG PRO 35 1HG PRO 35 10.907 20.071 -1.319 239 2HG PRO 35 2HG PRO 35 10.519 18.523 -0.493 240 1HD PRO 35 1HD PRO 35 11.629 20.940 0.621 241 2HD PRO 35 2HD PRO 35 11.345 19.419 1.497 242 H HIS 36 H HIS 36 14.632 18.824 -3.022 243 HA HIS 36 HA HIS 36 15.122 21.603 -3.469 244 1HB HIS 36 1HB HIS 36 17.562 21.541 -3.691 245 2HB HIS 36 2HB HIS 36 17.053 21.217 -2.025 246 HD1 HIS 36 HD1 HIS 36 19.770 20.314 -2.446 247 HD2 HIS 36 HD2 HIS 36 16.476 18.019 -3.599 248 HE1 HIS 36 HE1 HIS 36 20.626 17.837 -2.635 249 HE2 HIS 36 HE2 HIS 36 18.547 16.502 -3.448 250 H TRP 37 H TRP 37 16.247 22.002 -5.675 251 HA TRP 37 HA TRP 37 14.837 20.372 -7.561 252 1HB TRP 37 1HB TRP 37 15.459 22.539 -8.204 253 2HB TRP 37 2HB TRP 37 17.169 22.270 -7.772 254 HD1 TRP 37 HD1 TRP 37 14.880 20.331 -10.216 255 HE1 TRP 37 HE1 TRP 37 16.064 20.178 -12.467 256 HE3 TRP 37 HE3 TRP 37 18.925 23.146 -9.055 257 HZ2 TRP 37 HZ2 TRP 37 18.449 21.224 -13.644 258 HZ3 TRP 37 HZ3 TRP 37 20.682 23.574 -10.787 259 HH2 TRP 37 HH2 TRP 37 20.447 22.560 -13.023 260 H PHE 38 H PHE 38 15.676 18.889 -9.051 261 HA PHE 38 HA PHE 38 18.059 17.357 -8.202 262 1HB PHE 38 1HB PHE 38 15.977 16.104 -7.626 263 2HB PHE 38 2HB PHE 38 15.283 16.481 -9.152 264 HD1 PHE 38 HD1 PHE 38 18.767 15.289 -8.447 265 HD2 PHE 38 HD2 PHE 38 14.899 14.422 -10.090 266 HE1 PHE 38 HE1 PHE 38 19.646 13.152 -9.402 267 HE2 PHE 38 HE2 PHE 38 15.778 12.275 -11.028 268 HZ PHE 38 HZ PHE 38 18.133 11.678 -10.693 269 H THR 39 H THR 39 19.145 18.728 -9.759 270 HA THR 39 HA THR 39 18.779 19.131 -12.401 271 HB THR 39 HB THR 39 21.262 18.769 -12.644 272 HG1 THR 39 HG1 THR 39 21.032 17.878 -9.993 273 1HG2 THR 39 1HG2 THR 39 21.546 20.730 -11.532 274 2HG2 THR 39 2HG2 THR 39 20.010 20.458 -10.681 275 3HG2 THR 39 3HG2 THR 39 21.500 19.884 -9.974 276 H ASN 40 H ASN 40 19.350 15.948 -10.943 277 HA ASN 40 HA ASN 40 19.296 13.857 -11.865 278 1HB ASN 40 1HB ASN 40 16.894 14.578 -12.164 279 2HB ASN 40 2HB ASN 40 17.276 15.202 -13.728 280 1HD2 ASN 40 1HD2 ASN 40 15.837 13.818 -14.760 281 2HD2 ASN 40 2HD2 ASN 40 16.223 12.104 -14.984 282 H GLY 41 H GLY 41 21.106 15.975 -13.028 283 1HA GLY 41 1HA GLY 41 22.957 15.235 -14.479 284 2HA GLY 41 2HA GLY 41 21.726 14.562 -15.526 285 H TYR 42 H TYR 42 19.817 16.778 -15.402 286 HA TYR 42 HA TYR 42 20.636 18.373 -17.528 287 1HB TYR 42 1HB TYR 42 18.691 18.905 -15.235 288 2HB TYR 42 2HB TYR 42 18.754 19.882 -16.653 289 HD1 TYR 42 HD1 TYR 42 18.574 18.555 -18.892 290 HD2 TYR 42 HD2 TYR 42 17.107 17.064 -15.196 291 HE1 TYR 42 HE1 TYR 42 16.921 17.067 -20.142 292 HE2 TYR 42 HE2 TYR 42 15.539 15.554 -16.397 293 HH TYR 42 HH TYR 42 15.041 15.750 -19.858 294 H ASP 43 H ASP 43 21.127 20.642 -17.637 295 HA ASP 43 HA ASP 43 23.108 21.395 -15.579 296 1HB ASP 43 1HB ASP 43 22.480 22.082 -18.371 297 2HB ASP 43 2HB ASP 43 22.694 23.528 -17.405 298 H GLY 44 H GLY 44 19.941 22.407 -16.759 299 1HA GLY 44 1HA GLY 44 19.191 23.693 -14.304 300 2HA GLY 44 2HA GLY 44 19.625 24.894 -15.516 301 H ASP 45 H ASP 45 18.621 24.169 -17.808 302 HA ASP 45 HA ASP 45 15.749 23.465 -17.335 303 1HB ASP 45 1HB ASP 45 16.950 25.911 -18.427 304 2HB ASP 45 2HB ASP 45 16.027 25.093 -19.700 305 H GLY 46 H GLY 46 17.976 24.053 -20.063 306 1HA GLY 46 1HA GLY 46 16.839 22.275 -21.877 307 2HA GLY 46 2HA GLY 46 18.544 22.806 -21.897 308 H LYS 47 H LYS 47 18.607 20.517 -22.799 309 HA LYS 47 HA LYS 47 18.256 18.289 -21.073 310 1HB LYS 47 1HB LYS 47 20.207 18.456 -23.373 311 2HB LYS 47 2HB LYS 47 19.452 17.006 -22.702 312 1HG LYS 47 1HG LYS 47 17.302 18.806 -23.444 313 2HG LYS 47 2HG LYS 47 18.461 18.771 -24.774 314 1HD LYS 47 1HD LYS 47 18.294 16.338 -24.865 315 2HD LYS 47 2HD LYS 47 17.301 16.301 -23.395 316 1HE LYS 47 1HE LYS 47 15.416 16.668 -24.527 317 2HE LYS 47 2HE LYS 47 16.069 18.138 -25.256 318 1HZ LYS 47 1HZ LYS 47 16.815 16.969 -27.088 319 2HZ LYS 47 2HZ LYS 47 16.894 15.528 -26.307 320 3HZ LYS 47 3HZ LYS 47 15.441 16.122 -26.755 321 H LEU 48 H LEU 48 20.709 16.922 -21.200 322 HA LEU 48 HA LEU 48 22.083 18.341 -18.983 323 1HB LEU 48 1HB LEU 48 22.850 15.588 -19.609 324 2HB LEU 48 2HB LEU 48 22.473 16.357 -18.101 325 HG LEU 48 HG LEU 48 19.975 16.229 -18.854 326 1HD1 LEU 48 1HD1 LEU 48 21.308 14.941 -21.050 327 2HD1 LEU 48 2HD1 LEU 48 20.524 13.670 -20.151 328 3HD1 LEU 48 3HD1 LEU 48 19.555 15.049 -20.721 329 1HD2 LEU 48 1HD2 LEU 48 20.266 15.081 -16.991 330 2HD2 LEU 48 2HD2 LEU 48 20.101 13.741 -18.016 331 3HD2 LEU 48 3HD2 LEU 48 21.727 14.187 -17.587 332 HA PRO 49 HA PRO 49 25.679 19.024 -21.269 333 1HB PRO 49 1HB PRO 49 27.742 18.246 -19.543 334 2HB PRO 49 2HB PRO 49 26.820 19.774 -19.445 335 1HG PRO 49 1HG PRO 49 26.654 17.388 -17.729 336 2HG PRO 49 2HG PRO 49 26.117 19.054 -17.380 337 1HD PRO 49 1HD PRO 49 24.486 16.851 -18.144 338 2HD PRO 49 2HD PRO 49 23.974 18.523 -17.928 339 H LYS 50 H LYS 50 27.454 18.134 -22.443 340 HA LYS 50 HA LYS 50 26.939 15.504 -23.422 341 1HB LYS 50 1HB LYS 50 27.837 16.819 -25.011 342 2HB LYS 50 2HB LYS 50 28.992 17.602 -23.935 343 1HG LYS 50 1HG LYS 50 30.540 15.859 -24.041 344 2HG LYS 50 2HG LYS 50 29.334 14.648 -24.476 345 1HD LYS 50 1HD LYS 50 29.859 14.853 -26.602 346 2HD LYS 50 2HD LYS 50 29.328 16.535 -26.607 347 1HE LYS 50 1HE LYS 50 32.040 15.914 -25.435 348 2HE LYS 50 2HE LYS 50 31.863 15.816 -27.191 349 1HZ LYS 50 1HZ LYS 50 32.493 18.061 -26.321 350 2HZ LYS 50 2HZ LYS 50 31.137 18.065 -27.253 351 3HZ LYS 50 3HZ LYS 50 31.014 18.177 -25.621 352 H GLY 51 H GLY 51 26.965 14.043 -21.808 353 1HA GLY 51 1HA GLY 51 28.662 12.210 -21.177 354 2HA GLY 51 2HA GLY 51 29.583 13.539 -20.430 355 H ARG 52 H ARG 52 26.012 13.045 -20.435 356 HA ARG 52 HA ARG 52 26.170 12.660 -17.491 357 1HB ARG 52 1HB ARG 52 25.199 14.952 -18.664 358 2HB ARG 52 2HB ARG 52 23.764 13.929 -18.694 359 1HG ARG 52 1HG ARG 52 23.492 14.699 -16.602 360 2HG ARG 52 2HG ARG 52 24.588 13.427 -16.134 361 1HD ARG 52 1HD ARG 52 26.246 15.575 -16.874 362 2HD ARG 52 2HD ARG 52 24.931 16.366 -16.050 363 HE ARG 52 HE ARG 52 25.509 15.322 -14.040 364 1HH1 ARG 52 2HH2 ARG 52 27.405 14.041 -16.679 365 2HH1 ARG 52 1HH2 ARG 52 28.521 13.209 -15.681 366 1HH2 ARG 52 2HH1 ARG 52 26.963 14.245 -12.740 367 2HH2 ARG 52 1HH1 ARG 52 28.278 13.336 -13.456 368 H THR 53 H THR 53 24.316 11.578 -16.563 369 HA THR 53 HA THR 53 22.872 9.853 -18.497 370 HB THR 53 HB THR 53 24.654 8.883 -16.283 371 HG1 THR 53 HG1 THR 53 25.679 9.123 -18.222 372 1HG2 THR 53 1HG2 THR 53 22.225 7.665 -17.527 373 2HG2 THR 53 2HG2 THR 53 23.687 6.675 -17.659 374 3HG2 THR 53 3HG2 THR 53 23.116 7.196 -16.059 375 HA PRO 54 HA PRO 54 19.936 11.399 -15.448 376 1HB PRO 54 1HB PRO 54 17.706 11.232 -17.139 377 2HB PRO 54 2HB PRO 54 18.756 12.630 -16.956 378 1HG PRO 54 1HG PRO 54 18.603 10.659 -19.197 379 2HG PRO 54 2HG PRO 54 19.250 12.291 -19.222 380 1HD PRO 54 1HD PRO 54 20.713 9.842 -19.064 381 2HD PRO 54 2HD PRO 54 21.392 11.486 -18.957 382 H ILE 55 H ILE 55 18.069 10.482 -14.428 383 HA ILE 55 HA ILE 55 18.297 7.555 -14.379 384 HB ILE 55 HB ILE 55 16.544 9.347 -12.657 385 1HG1 ILE 55 1HG1 ILE 55 19.493 8.576 -12.414 386 2HG1 ILE 55 2HG1 ILE 55 18.762 10.165 -12.342 387 1HG2 ILE 55 1HG2 ILE 55 17.639 6.520 -12.334 388 2HG2 ILE 55 2HG2 ILE 55 16.678 7.395 -11.117 389 3HG2 ILE 55 3HG2 ILE 55 15.935 7.006 -12.645 390 1HD1 ILE 55 1HD1 ILE 55 17.549 9.499 -10.310 391 2HD1 ILE 55 2HD1 ILE 55 18.558 8.027 -10.238 392 3HD1 ILE 55 3HD1 ILE 55 19.329 9.615 -10.131 393 H LYS 56 H LYS 56 17.052 6.254 -15.522 394 HA LYS 56 HA LYS 56 14.714 7.392 -16.940 395 1HB LYS 56 1HB LYS 56 16.019 6.052 -18.317 396 2HB LYS 56 2HB LYS 56 16.288 4.806 -17.107 397 1HG LYS 56 1HG LYS 56 13.481 5.383 -18.127 398 2HG LYS 56 2HG LYS 56 14.572 4.382 -19.070 399 1HD LYS 56 1HD LYS 56 14.641 3.506 -16.274 400 2HD LYS 56 2HD LYS 56 12.971 3.582 -16.825 401 1HE LYS 56 1HE LYS 56 14.945 2.391 -18.718 402 2HE LYS 56 2HE LYS 56 14.828 1.542 -17.174 403 1HZ LYS 56 1HZ LYS 56 13.048 1.373 -19.285 404 2HZ LYS 56 2HZ LYS 56 12.864 0.716 -17.786 405 3HZ LYS 56 3HZ LYS 56 12.249 2.197 -18.109 406 H PHE 57 H PHE 57 12.709 7.182 -16.345 407 HA PHE 57 HA PHE 57 12.015 5.366 -14.066 408 1HB PHE 57 1HB PHE 57 10.553 7.856 -14.988 409 2HB PHE 57 2HB PHE 57 10.394 6.993 -13.463 410 HD1 PHE 57 HD1 PHE 57 12.410 9.396 -15.452 411 HD2 PHE 57 HD2 PHE 57 11.980 7.415 -11.706 412 HE1 PHE 57 HE1 PHE 57 14.042 10.959 -14.432 413 HE2 PHE 57 HE2 PHE 57 13.700 8.974 -10.681 414 HZ PHE 57 HZ PHE 57 14.724 10.693 -12.070 415 H GLY 58 H GLY 58 10.630 6.880 -16.985 416 1HA GLY 58 1HA GLY 58 9.688 5.233 -18.654 417 2HA GLY 58 2HA GLY 58 8.815 4.531 -17.275 418 H LYS 59 H LYS 59 8.964 7.778 -16.609 419 HA LYS 59 HA LYS 59 6.293 8.213 -17.820 420 1HB LYS 59 1HB LYS 59 7.644 9.095 -15.243 421 2HB LYS 59 2HB LYS 59 6.442 10.154 -15.960 422 1HG LYS 59 1HG LYS 59 5.915 7.187 -15.463 423 2HG LYS 59 2HG LYS 59 5.566 8.438 -14.260 424 1HD LYS 59 1HD LYS 59 4.026 9.549 -15.792 425 2HD LYS 59 2HD LYS 59 4.390 8.432 -17.091 426 1HE LYS 59 1HE LYS 59 3.318 6.642 -16.038 427 2HE LYS 59 2HE LYS 59 3.371 7.409 -14.440 428 1HZ LYS 59 1HZ LYS 59 1.180 7.472 -15.804 429 2HZ LYS 59 2HZ LYS 59 1.662 8.815 -14.976 430 3HZ LYS 59 3HZ LYS 59 1.889 8.740 -16.586 431 H SER 60 H SER 60 5.789 10.000 -18.932 432 HA SER 60 HA SER 60 8.065 11.169 -20.346 433 1HB SER 60 1HB SER 60 6.106 10.528 -21.617 434 2HB SER 60 2HB SER 60 5.066 11.576 -20.623 435 HG SER 60 HG SER 60 5.865 12.384 -22.780 436 H ASP 61 H ASP 61 6.655 11.784 -17.391 437 HA ASP 61 HA ASP 61 6.624 14.691 -17.573 438 1HB ASP 61 1HB ASP 61 6.476 13.253 -14.943 439 2HB ASP 61 2HB ASP 61 5.635 14.697 -15.497 440 H CYS 62 H CYS 62 8.328 12.143 -15.680 441 HA CYS 62 HA CYS 62 10.276 14.006 -14.721 442 1HB CYS 62 1HB CYS 62 10.773 11.043 -14.765 443 2HB CYS 62 2HB CYS 62 11.183 12.195 -13.525 444 H ASP 63 H ASP 63 9.953 11.812 -17.464 445 HA ASP 63 HA ASP 63 12.702 11.816 -18.287 446 1HB ASP 63 1HB ASP 63 11.117 10.171 -19.154 447 2HB ASP 63 2HB ASP 63 10.095 11.467 -19.805 448 H ARG 64 H ARG 64 9.880 13.937 -18.861 449 HA ARG 64 HA ARG 64 10.938 15.404 -20.959 450 1HB ARG 64 1HB ARG 64 9.050 16.506 -20.718 451 2HB ARG 64 2HB ARG 64 8.733 15.528 -19.288 452 1HG ARG 64 1HG ARG 64 9.832 17.204 -17.838 453 2HG ARG 64 2HG ARG 64 9.941 18.251 -19.255 454 1HD ARG 64 1HD ARG 64 8.031 18.480 -17.562 455 2HD ARG 64 2HD ARG 64 7.862 18.850 -19.305 456 HE ARG 64 HE ARG 64 6.736 16.557 -17.834 457 1HH1 ARG 64 2HH2 ARG 64 7.437 17.873 -20.956 458 2HH1 ARG 64 1HH2 ARG 64 6.306 16.860 -21.810 459 1HH2 ARG 64 2HH1 ARG 64 5.257 15.251 -18.918 460 2HH2 ARG 64 1HH1 ARG 64 5.105 15.372 -20.627 461 HA PRO 65 HA PRO 65 14.020 17.888 -19.207 462 1HB PRO 65 1HB PRO 65 13.740 20.317 -20.574 463 2HB PRO 65 2HB PRO 65 14.547 18.839 -21.172 464 1HG PRO 65 1HG PRO 65 11.894 19.950 -21.931 465 2HG PRO 65 2HG PRO 65 12.936 18.790 -22.815 466 1HD PRO 65 1HD PRO 65 10.620 18.220 -21.256 467 2HD PRO 65 2HD PRO 65 11.693 17.050 -22.045 468 HA PRO 66 HA PRO 66 12.100 20.254 -15.996 469 1HB PRO 66 1HB PRO 66 14.399 21.224 -14.750 470 2HB PRO 66 2HB PRO 66 13.715 19.584 -14.528 471 1HG PRO 66 1HG PRO 66 16.137 20.387 -16.043 472 2HG PRO 66 2HG PRO 66 15.633 18.809 -15.360 473 1HD PRO 66 1HD PRO 66 15.465 19.675 -18.104 474 2HD PRO 66 2HD PRO 66 14.868 18.161 -17.395 475 H LYS 67 H LYS 67 12.176 22.493 -15.011 476 HA LYS 67 HA LYS 67 13.027 24.502 -16.994 477 1HB LYS 67 1HB LYS 67 10.818 24.094 -17.643 478 2HB LYS 67 2HB LYS 67 10.209 24.291 -15.983 479 1HG LYS 67 1HG LYS 67 9.929 26.447 -16.345 480 2HG LYS 67 2HG LYS 67 11.665 26.666 -16.609 481 1HD LYS 67 1HD LYS 67 11.480 26.203 -18.960 482 2HD LYS 67 2HD LYS 67 9.774 25.780 -18.797 483 1HE LYS 67 1HE LYS 67 9.577 27.970 -19.488 484 2HE LYS 67 2HE LYS 67 9.549 28.186 -17.731 485 1HZ LYS 67 1HZ LYS 67 11.560 29.191 -17.783 486 2HZ LYS 67 2HZ LYS 67 12.195 28.163 -18.879 487 3HZ LYS 67 3HZ LYS 67 11.271 29.431 -19.390 488 H HIS 68 H HIS 68 14.679 24.413 -15.121 489 HA HIS 68 HA HIS 68 13.725 25.694 -12.606 490 1HB HIS 68 1HB HIS 68 15.359 23.890 -12.394 491 2HB HIS 68 2HB HIS 68 16.445 24.697 -13.532 492 HD1 HIS 68 HD1 HIS 68 18.003 26.527 -12.747 493 HD2 HIS 68 HD2 HIS 68 15.241 25.136 -9.885 494 HE1 HIS 68 HE1 HIS 68 18.718 27.539 -10.445 495 HE2 HIS 68 HE2 HIS 68 16.917 26.595 -8.736 496 H SER 69 H SER 69 14.559 27.664 -11.860 497 HA SER 69 HA SER 69 15.843 29.455 -13.863 498 1HB SER 69 1HB SER 69 13.036 29.520 -13.212 499 2HB SER 69 2HB SER 69 13.806 30.973 -12.587 500 HG SER 69 HG SER 69 14.388 30.068 -15.186 501 H LYS 70 H LYS 70 15.724 31.790 -12.540 502 HA LYS 70 HA LYS 70 17.477 31.179 -10.230 503 1HB LYS 70 1HB LYS 70 17.467 33.182 -12.320 504 2HB LYS 70 2HB LYS 70 17.247 34.016 -10.810 505 1HG LYS 70 1HG LYS 70 19.227 32.220 -10.086 506 2HG LYS 70 2HG LYS 70 19.597 32.476 -11.792 507 1HD LYS 70 1HD LYS 70 19.045 34.793 -9.884 508 2HD LYS 70 2HD LYS 70 20.636 34.036 -9.958 509 1HE LYS 70 1HE LYS 70 20.804 34.514 -12.373 510 2HE LYS 70 2HE LYS 70 19.161 35.173 -12.378 511 1HZ LYS 70 1HZ LYS 70 21.604 36.397 -11.439 512 2HZ LYS 70 2HZ LYS 70 20.227 37.105 -11.997 513 3HZ LYS 70 3HZ LYS 70 20.318 36.605 -10.441 514 H ASP 71 H ASP 71 15.566 30.317 -9.140 515 HA ASP 71 HA ASP 71 14.747 32.083 -7.105 516 1HB ASP 71 1HB ASP 71 13.055 32.143 -9.514 517 2HB ASP 71 2HB ASP 71 12.141 31.509 -8.171 518 H GLY 72 H GLY 72 13.769 29.304 -9.116 519 1HA GLY 72 1HA GLY 72 14.129 27.125 -7.991 520 2HA GLY 72 2HA GLY 72 13.175 27.783 -6.635 521 H ASN 73 H ASN 73 10.928 28.403 -7.081 522 HA ASN 73 HA ASN 73 9.709 26.800 -9.278 523 1HB ASN 73 1HB ASN 73 7.755 26.661 -7.729 524 2HB ASN 73 2HB ASN 73 9.144 25.772 -7.124 525 1HD2 ASN 73 1HD2 ASN 73 6.839 28.110 -6.426 526 2HD2 ASN 73 2HD2 ASN 73 7.516 28.724 -4.926 527 H GLY 74 H GLY 74 10.434 29.145 -10.160 528 1HA GLY 74 1HA GLY 74 8.921 31.449 -9.501 529 2HA GLY 74 2HA GLY 74 9.669 31.109 -11.084 530 H LYS 75 H LYS 75 8.361 30.736 -12.762 531 HA LYS 75 HA LYS 75 5.511 31.084 -12.505 532 1HB LYS 75 1HB LYS 75 7.274 30.043 -14.789 533 2HB LYS 75 2HB LYS 75 5.524 30.267 -14.932 534 1HG LYS 75 1HG LYS 75 6.331 32.701 -13.847 535 2HG LYS 75 2HG LYS 75 7.711 32.292 -14.874 536 1HD LYS 75 1HD LYS 75 6.306 32.149 -16.836 537 2HD LYS 75 2HD LYS 75 4.828 32.139 -15.851 538 1HE LYS 75 1HE LYS 75 5.610 34.467 -14.994 539 2HE LYS 75 2HE LYS 75 6.709 34.461 -16.379 540 1HZ LYS 75 1HZ LYS 75 4.978 35.005 -17.674 541 2HZ LYS 75 2HZ LYS 75 4.127 33.681 -17.199 542 3HZ LYS 75 3HZ LYS 75 3.994 35.079 -16.359 543 H THR 76 H THR 76 6.451 28.271 -14.293 544 HA THR 76 HA THR 76 5.060 26.559 -12.278 545 HB THR 76 HB THR 76 3.760 27.345 -14.478 546 HG1 THR 76 HG1 THR 76 2.707 25.244 -14.179 547 1HG2 THR 76 1HG2 THR 76 4.606 24.645 -15.438 548 2HG2 THR 76 2HG2 THR 76 3.962 25.995 -16.379 549 3HG2 THR 76 3HG2 THR 76 5.662 26.007 -15.855 550 H ASP 77 H ASP 77 7.938 27.070 -12.770 551 HA ASP 77 HA ASP 77 9.356 25.426 -14.274 552 1HB ASP 77 1HB ASP 77 9.708 25.708 -11.250 553 2HB ASP 77 2HB ASP 77 10.927 25.206 -12.393 554 H HIS 78 H HIS 78 8.907 23.355 -14.851 555 HA HIS 78 HA HIS 78 7.643 21.541 -12.895 556 1HB HIS 78 1HB HIS 78 7.497 19.970 -14.813 557 2HB HIS 78 2HB HIS 78 6.686 21.516 -15.061 558 HD1 HIS 78 HD1 HIS 78 7.054 20.401 -17.636 559 HD2 HIS 78 HD2 HIS 78 10.258 22.153 -15.650 560 HE1 HIS 78 HE1 HIS 78 8.845 20.980 -19.471 561 HE2 HIS 78 HE2 HIS 78 10.776 22.107 -18.220 562 H TYR 79 H TYR 79 10.417 22.527 -12.610 563 HA TYR 79 HA TYR 79 12.380 20.642 -13.208 564 1HB TYR 79 1HB TYR 79 13.659 21.811 -11.567 565 2HB TYR 79 2HB TYR 79 12.629 23.023 -12.316 566 HD1 TYR 79 HD1 TYR 79 13.475 21.311 -9.183 567 HD2 TYR 79 HD2 TYR 79 10.558 23.728 -11.060 568 HE1 TYR 79 HE1 TYR 79 12.547 21.947 -6.968 569 HE2 TYR 79 HE2 TYR 79 9.593 24.385 -8.882 570 HH TYR 79 HH TYR 79 10.891 24.377 -6.362 571 H LEU 80 H LEU 80 13.101 18.792 -12.228 572 HA LEU 80 HA LEU 80 11.164 17.463 -10.453 573 1HB LEU 80 1HB LEU 80 13.657 16.749 -11.999 574 2HB LEU 80 2HB LEU 80 13.301 15.788 -10.584 575 HG LEU 80 HG LEU 80 10.846 16.150 -12.164 576 1HD1 LEU 80 1HD1 LEU 80 13.311 15.549 -13.698 577 2HD1 LEU 80 2HD1 LEU 80 12.082 14.347 -13.844 578 3HD1 LEU 80 3HD1 LEU 80 11.687 16.037 -14.229 579 1HD2 LEU 80 1HD2 LEU 80 10.991 14.451 -10.503 580 2HD2 LEU 80 2HD2 LEU 80 10.964 13.607 -12.044 581 3HD2 LEU 80 3HD2 LEU 80 12.483 13.795 -11.221 582 H LEU 81 H LEU 81 11.370 17.164 -8.287 583 HA LEU 81 HA LEU 81 13.876 18.200 -7.009 584 1HB LEU 81 1HB LEU 81 12.441 19.890 -6.557 585 2HB LEU 81 2HB LEU 81 10.980 18.903 -6.545 586 HG LEU 81 HG LEU 81 13.041 18.707 -4.345 587 1HD1 LEU 81 1HD1 LEU 81 10.737 20.151 -3.501 588 2HD1 LEU 81 2HD1 LEU 81 12.445 20.597 -3.514 589 3HD1 LEU 81 3HD1 LEU 81 11.411 20.933 -4.918 590 1HD2 LEU 81 1HD2 LEU 81 11.864 16.979 -3.732 591 2HD2 LEU 81 2HD2 LEU 81 10.610 18.088 -3.309 592 3HD2 LEU 81 3HD2 LEU 81 10.645 17.311 -4.946 593 H GLU 82 H GLU 82 14.592 17.113 -5.242 594 HA GLU 82 HA GLU 82 13.299 14.479 -4.826 595 1HB GLU 82 1HB GLU 82 15.456 13.578 -4.297 596 2HB GLU 82 2HB GLU 82 15.579 14.444 -5.845 597 1HG GLU 82 1HG GLU 82 16.264 15.963 -3.376 598 2HG GLU 82 2HG GLU 82 17.279 14.674 -3.775 599 H PHE 83 H PHE 83 13.612 13.520 -2.636 600 HA PHE 83 HA PHE 83 14.080 15.500 -0.507 601 1HB PHE 83 1HB PHE 83 11.630 15.569 -1.268 602 2HB PHE 83 2HB PHE 83 11.523 13.928 -0.711 603 HD1 PHE 83 HD1 PHE 83 10.577 13.495 1.342 604 HD2 PHE 83 HD2 PHE 83 12.822 17.100 0.716 605 HE1 PHE 83 HE1 PHE 83 10.069 14.351 3.651 606 HE2 PHE 83 HE2 PHE 83 12.268 17.897 3.003 607 HZ PHE 83 HZ PHE 83 10.885 16.391 4.415 608 HA PRO 84 HA PRO 84 15.615 11.726 1.268 609 1HB PRO 84 1HB PRO 84 16.237 12.683 3.802 610 2HB PRO 84 2HB PRO 84 17.266 12.865 2.360 611 1HG PRO 84 1HG PRO 84 15.581 14.894 3.723 612 2HG PRO 84 2HG PRO 84 16.971 15.108 2.623 613 1HD PRO 84 1HD PRO 84 14.194 15.362 2.036 614 2HD PRO 84 2HD PRO 84 15.549 15.433 0.877 615 H THR 85 H THR 85 14.094 10.250 1.419 616 HA THR 85 HA THR 85 12.121 10.526 3.614 617 HB THR 85 HB THR 85 10.984 10.398 1.525 618 HG1 THR 85 HG1 THR 85 11.238 7.786 2.542 619 1HG2 THR 85 1HG2 THR 85 11.344 8.514 -0.087 620 2HG2 THR 85 2HG2 THR 85 12.790 9.521 0.050 621 3HG2 THR 85 3HG2 THR 85 12.708 7.948 0.852 622 H PHE 86 H PHE 86 12.795 9.621 5.395 623 HA PHE 86 HA PHE 86 14.516 7.279 5.244 624 1HB PHE 86 1HB PHE 86 13.222 8.284 7.702 625 2HB PHE 86 2HB PHE 86 14.874 7.702 7.525 626 HD1 PHE 86 HD1 PHE 86 12.789 10.497 7.894 627 HD2 PHE 86 HD2 PHE 86 16.400 9.232 6.005 628 HE1 PHE 86 HE1 PHE 86 13.550 12.829 7.831 629 HE2 PHE 86 HE2 PHE 86 17.167 11.608 5.858 630 HZ PHE 86 HZ PHE 86 15.750 13.400 6.713 631 HA PRO 87 HA PRO 87 11.392 4.252 5.847 632 1HB PRO 87 1HB PRO 87 12.703 2.387 7.486 633 2HB PRO 87 2HB PRO 87 12.866 2.520 5.766 634 1HG PRO 87 1HG PRO 87 14.774 3.342 7.868 635 2HG PRO 87 2HG PRO 87 15.096 3.053 6.128 636 1HD PRO 87 1HD PRO 87 14.820 5.563 7.480 637 2HD PRO 87 2HD PRO 87 15.041 5.290 5.733 638 H ASP 88 H ASP 88 13.113 5.090 8.870 639 HA ASP 88 HA ASP 88 11.451 4.222 10.831 640 1HB ASP 88 1HB ASP 88 11.875 6.595 11.891 641 2HB ASP 88 2HB ASP 88 13.232 5.475 11.671 642 H GLY 89 H GLY 89 10.795 6.775 8.512 643 1HA GLY 89 1HA GLY 89 8.694 7.370 7.760 644 2HA GLY 89 2HA GLY 89 7.968 6.767 9.286 645 H HIS 90 H HIS 90 10.550 8.325 10.352 646 HA HIS 90 HA HIS 90 9.023 10.509 11.377 647 1HB HIS 90 1HB HIS 90 10.953 11.131 12.560 648 2HB HIS 90 2HB HIS 90 11.030 9.374 12.452 649 HD1 HIS 90 HD1 HIS 90 13.488 8.765 12.283 650 HD2 HIS 90 HD2 HIS 90 12.500 12.086 9.914 651 HE1 HIS 90 HE1 HIS 90 15.568 9.350 10.947 652 HE2 HIS 90 HE2 HIS 90 14.922 11.346 9.482 653 H ASP 91 H ASP 91 9.078 12.696 10.850 654 HA ASP 91 HA ASP 91 9.774 13.236 8.034 655 1HB ASP 91 1HB ASP 91 7.555 13.874 8.826 656 2HB ASP 91 2HB ASP 91 8.281 14.782 10.199 657 H TYR 92 H TYR 92 11.709 14.052 7.574 658 HA TYR 92 HA TYR 92 13.696 14.740 9.297 659 1HB TYR 92 1HB TYR 92 13.597 14.553 6.629 660 2HB TYR 92 2HB TYR 92 13.136 16.202 6.702 661 HD1 TYR 92 HD1 TYR 92 15.712 14.541 8.885 662 HD2 TYR 92 HD2 TYR 92 14.917 17.249 5.597 663 HE1 TYR 92 HE1 TYR 92 18.083 15.188 8.826 664 HE2 TYR 92 HE2 TYR 92 17.316 17.850 5.559 665 HH TYR 92 HH TYR 92 19.658 16.163 6.871 666 H LYS 93 H LYS 93 14.768 16.978 9.458 667 HA LYS 93 HA LYS 93 12.704 18.837 10.510 668 1HB LYS 93 1HB LYS 93 15.272 19.646 11.347 669 2HB LYS 93 2HB LYS 93 13.927 19.006 12.276 670 1HG LYS 93 1HG LYS 93 14.734 16.659 11.688 671 2HG LYS 93 2HG LYS 93 16.133 17.410 10.901 672 1HD LYS 93 1HD LYS 93 17.136 17.610 12.914 673 2HD LYS 93 2HD LYS 93 15.817 18.535 13.570 674 1HE LYS 93 1HE LYS 93 14.672 16.570 14.331 675 2HE LYS 93 2HE LYS 93 15.590 15.503 13.269 676 1HZ LYS 93 1HZ LYS 93 16.550 16.795 15.719 677 2HZ LYS 93 2HZ LYS 93 16.569 15.178 15.291 678 3HZ LYS 93 3HZ LYS 93 17.596 16.210 14.586 679 H PHE 94 H PHE 94 12.334 19.112 8.092 680 HA PHE 94 HA PHE 94 14.281 20.888 6.772 681 1HB PHE 94 1HB PHE 94 12.521 20.814 4.965 682 2HB PHE 94 2HB PHE 94 13.273 19.285 5.378 683 HD1 PHE 94 HD1 PHE 94 10.253 21.426 6.308 684 HD2 PHE 94 HD2 PHE 94 11.911 17.505 5.833 685 HE1 PHE 94 HE1 PHE 94 8.029 20.433 6.773 686 HE2 PHE 94 HE2 PHE 94 9.698 16.529 6.174 687 HZ PHE 94 HZ PHE 94 7.744 17.996 6.701 688 H ASP 95 H ASP 95 12.538 21.563 9.304 689 HA ASP 95 HA ASP 95 11.263 24.037 8.231 690 1HB ASP 95 1HB ASP 95 9.835 22.371 9.493 691 2HB ASP 95 2HB ASP 95 10.883 22.621 10.899 692 H SER 96 H SER 96 13.625 22.670 10.470 693 HA SER 96 HA SER 96 14.417 25.411 11.297 694 1HB SER 96 1HB SER 96 14.308 22.796 12.778 695 2HB SER 96 2HB SER 96 15.632 23.929 13.147 696 HG SER 96 HG SER 96 14.151 24.848 14.364 697 H LYS 97 H LYS 97 16.121 26.088 10.274 698 HA LYS 97 HA LYS 97 17.883 24.429 8.762 699 1HB LYS 97 1HB LYS 97 19.009 26.359 8.213 700 2HB LYS 97 2HB LYS 97 17.452 27.024 8.703 701 1HG LYS 97 1HG LYS 97 18.413 27.441 11.010 702 2HG LYS 97 2HG LYS 97 19.975 26.844 10.396 703 1HD LYS 97 1HD LYS 97 19.510 28.694 8.530 704 2HD LYS 97 2HD LYS 97 18.591 29.418 9.862 705 1HE LYS 97 1HE LYS 97 21.427 28.364 10.272 706 2HE LYS 97 2HE LYS 97 21.155 29.957 9.560 707 1HZ LYS 97 1HZ LYS 97 20.506 29.058 12.285 708 2HZ LYS 97 2HZ LYS 97 21.220 30.468 11.790 709 3HZ LYS 97 3HZ LYS 97 19.613 30.242 11.605 710 H LYS 98 H LYS 98 18.179 25.714 12.042 711 HA LYS 98 HA LYS 98 20.073 23.600 12.529 712 1HB LYS 98 1HB LYS 98 21.248 25.816 11.929 713 2HB LYS 98 2HB LYS 98 20.863 26.289 13.602 714 1HG LYS 98 1HG LYS 98 22.035 24.244 14.409 715 2HG LYS 98 2HG LYS 98 22.369 23.750 12.734 716 1HD LYS 98 1HD LYS 98 23.253 26.418 13.860 717 2HD LYS 98 2HD LYS 98 24.227 24.961 14.096 718 1HE LYS 98 1HE LYS 98 24.763 24.740 11.836 719 2HE LYS 98 2HE LYS 98 23.291 25.544 11.297 720 1HZ LYS 98 1HZ LYS 98 25.781 26.759 12.254 721 2HZ LYS 98 2HZ LYS 98 24.878 27.154 10.942 722 3HZ LYS 98 3HZ LYS 98 24.387 27.581 12.460 723 HA PRO 99 HA PRO 99 20.875 22.553 14.071 724 1HB PRO 99 1HB PRO 99 20.151 20.306 15.391 725 2HB PRO 99 2HB PRO 99 21.205 21.603 16.027 726 1HG PRO 99 1HG PRO 99 18.376 20.979 16.704 727 2HG PRO 99 2HG PRO 99 19.597 21.891 17.649 728 1HD PRO 99 1HD PRO 99 17.434 22.956 16.061 729 2HD PRO 99 2HD PRO 99 18.707 23.879 16.912 730 H LYS 100 H LYS 100 20.811 20.247 13.116 731 HA LYS 100 HA LYS 100 18.267 19.686 11.787 732 1HB LYS 100 1HB LYS 100 18.883 20.118 9.628 733 2HB LYS 100 2HB LYS 100 19.685 21.403 10.453 734 1HG LYS 100 1HG LYS 100 21.633 20.808 9.466 735 2HG LYS 100 2HG LYS 100 21.683 19.446 10.532 736 1HD LYS 100 1HD LYS 100 21.607 18.146 8.732 737 2HD LYS 100 2HD LYS 100 19.887 18.561 8.628 738 1HE LYS 100 1HE LYS 100 20.336 20.329 7.046 739 2HE LYS 100 2HE LYS 100 22.057 20.285 7.405 740 1HZ LYS 100 1HZ LYS 100 22.034 19.041 5.530 741 2HZ LYS 100 2HZ LYS 100 21.748 17.827 6.611 742 3HZ LYS 100 3HZ LYS 100 20.492 18.470 5.773 743 H GLU 101 H GLU 101 18.113 17.557 11.052 744 HA GLU 101 HA GLU 101 20.050 15.774 12.387 745 1HB GLU 101 1HB GLU 101 17.315 15.632 12.046 746 2HB GLU 101 2HB GLU 101 17.828 14.586 10.775 747 1HG GLU 101 1HG GLU 101 19.120 13.218 12.323 748 2HG GLU 101 2HG GLU 101 18.856 14.398 13.628 749 H ASN 102 H ASN 102 20.451 13.595 11.066 750 HA ASN 102 HA ASN 102 22.053 14.469 8.819 751 1HB ASN 102 1HB ASN 102 22.850 12.716 10.314 752 2HB ASN 102 2HB ASN 102 21.420 11.711 9.929 753 1HD2 ASN 102 1HD2 ASN 102 24.526 12.888 8.812 754 2HD2 ASN 102 2HD2 ASN 102 24.550 11.833 7.365 755 HA PRO 103 HA PRO 103 18.935 13.656 5.756 756 1HB PRO 103 1HB PRO 103 20.599 13.644 3.481 757 2HB PRO 103 2HB PRO 103 19.962 15.083 4.302 758 1HG PRO 103 1HG PRO 103 22.706 13.923 4.342 759 2HG PRO 103 2HG PRO 103 22.177 15.604 4.680 760 1HD PRO 103 1HD PRO 103 22.856 13.570 6.524 761 2HD PRO 103 2HD PRO 103 22.234 15.186 6.908 762 H GLY 104 H GLY 104 19.325 12.203 3.358 763 1HA GLY 104 1HA GLY 104 20.097 9.523 4.319 764 2HA GLY 104 2HA GLY 104 18.452 9.751 3.683 765 HA PRO 105 HA PRO 105 21.662 9.196 0.246 766 1HB PRO 105 1HB PRO 105 21.559 6.425 -0.119 767 2HB PRO 105 2HB PRO 105 22.806 7.295 0.808 768 1HG PRO 105 1HG PRO 105 20.559 5.645 1.784 769 2HG PRO 105 2HG PRO 105 22.066 6.105 2.632 770 1HD PRO 105 1HD PRO 105 19.449 7.229 2.980 771 2HD PRO 105 2HD PRO 105 20.978 7.772 3.711 772 H ALA 106 H ALA 106 18.660 7.353 0.883 773 HA ALA 106 HA ALA 106 17.952 7.537 -1.953 774 1HB ALA 106 1HB ALA 106 16.791 5.697 -1.552 775 2HB ALA 106 2HB ALA 106 17.612 5.661 -0.046 776 3HB ALA 106 3HB ALA 106 15.971 6.438 -0.133 777 H ARG 107 H ARG 107 16.331 8.779 -2.710 778 HA ARG 107 HA ARG 107 14.752 10.368 -0.824 779 1HB ARG 107 1HB ARG 107 16.402 11.588 -3.123 780 2HB ARG 107 2HB ARG 107 15.265 12.463 -2.137 781 1HG ARG 107 1HG ARG 107 16.861 11.396 -0.151 782 2HG ARG 107 2HG ARG 107 17.980 11.413 -1.437 783 1HD ARG 107 1HD ARG 107 16.641 13.973 -1.457 784 2HD ARG 107 2HD ARG 107 16.926 13.562 0.214 785 HE ARG 107 HE ARG 107 19.079 14.111 -0.063 786 1HH1 ARG 107 2HH2 ARG 107 17.945 12.874 -3.057 787 2HH1 ARG 107 1HH2 ARG 107 19.420 13.064 -3.941 788 1HH2 ARG 107 2HH1 ARG 107 21.019 14.408 -1.113 789 2HH2 ARG 107 1HH1 ARG 107 21.186 13.924 -2.795 790 H VAL 108 H VAL 108 12.829 11.253 -1.722 791 HA VAL 108 HA VAL 108 11.793 9.653 -3.990 792 HB VAL 108 HB VAL 108 10.417 9.843 -2.035 793 1HG1 VAL 108 1HG1 VAL 108 9.477 12.186 -1.449 794 2HG1 VAL 108 2HG1 VAL 108 11.089 11.749 -0.875 795 3HG1 VAL 108 3HG1 VAL 108 10.832 12.820 -2.285 796 1HG2 VAL 108 1HG2 VAL 108 9.053 9.703 -3.886 797 2HG2 VAL 108 2HG2 VAL 108 8.406 11.162 -3.107 798 3HG2 VAL 108 3HG2 VAL 108 9.449 11.303 -4.515 799 H ILE 109 H ILE 109 11.926 10.264 -6.003 800 HA ILE 109 HA ILE 109 12.334 13.165 -6.568 801 HB ILE 109 HB ILE 109 13.233 10.639 -7.913 802 1HG1 ILE 109 1HG1 ILE 109 15.398 11.799 -7.883 803 2HG1 ILE 109 2HG1 ILE 109 14.642 13.236 -7.189 804 1HG2 ILE 109 1HG2 ILE 109 12.459 11.648 -9.824 805 2HG2 ILE 109 2HG2 ILE 109 12.636 13.300 -9.142 806 3HG2 ILE 109 3HG2 ILE 109 14.035 12.386 -9.708 807 1HD1 ILE 109 1HD1 ILE 109 15.855 11.588 -5.549 808 2HD1 ILE 109 2HD1 ILE 109 14.256 12.101 -5.115 809 3HD1 ILE 109 3HD1 ILE 109 14.459 10.518 -5.892 810 H TYR 110 H TYR 110 10.691 14.250 -7.289 811 HA TYR 110 HA TYR 110 8.722 12.888 -9.038 812 1HB TYR 110 1HB TYR 110 6.901 13.772 -7.683 813 2HB TYR 110 2HB TYR 110 7.950 12.816 -6.651 814 HD1 TYR 110 HD1 TYR 110 8.650 13.741 -4.591 815 HD2 TYR 110 HD2 TYR 110 7.498 16.410 -7.729 816 HE1 TYR 110 HE1 TYR 110 8.850 15.713 -3.065 817 HE2 TYR 110 HE2 TYR 110 7.767 18.353 -6.284 818 HH TYR 110 HH TYR 110 8.492 17.925 -2.855 819 H THR 111 H THR 111 7.631 14.256 -10.415 820 HA THR 111 HA THR 111 9.075 16.727 -11.044 821 HB THR 111 HB THR 111 8.002 16.581 -13.103 822 HG1 THR 111 HG1 THR 111 5.975 15.287 -11.616 823 1HG2 THR 111 1HG2 THR 111 7.380 13.692 -12.573 824 2HG2 THR 111 2HG2 THR 111 8.384 14.469 -13.818 825 3HG2 THR 111 3HG2 THR 111 9.027 14.185 -12.228 826 H TYR 112 H TYR 112 8.004 18.793 -11.431 827 HA TYR 112 HA TYR 112 5.849 19.150 -9.447 828 1HB TYR 112 1HB TYR 112 7.720 20.249 -8.671 829 2HB TYR 112 2HB TYR 112 8.209 20.785 -10.276 830 HD1 TYR 112 HD1 TYR 112 6.811 21.833 -7.329 831 HD2 TYR 112 HD2 TYR 112 6.425 22.449 -11.489 832 HE1 TYR 112 HE1 TYR 112 5.685 24.145 -6.933 833 HE2 TYR 112 HE2 TYR 112 5.373 24.633 -11.143 834 HH TYR 112 HH TYR 112 5.019 26.012 -7.909 835 HA PRO 113 HA PRO 113 4.662 20.890 -8.872 836 1HB PRO 113 1HB PRO 113 1.965 21.277 -8.807 837 2HB PRO 113 2HB PRO 113 3.187 22.566 -8.969 838 1HG PRO 113 1HG PRO 113 1.370 21.444 -11.036 839 2HG PRO 113 2HG PRO 113 2.221 23.018 -11.009 840 1HD PRO 113 1HD PRO 113 2.966 20.659 -12.502 841 2HD PRO 113 2HD PRO 113 3.886 22.168 -12.353 842 H ASN 114 H ASN 114 2.236 19.183 -10.791 843 HA ASN 114 HA ASN 114 1.269 17.386 -8.982 844 1HB ASN 114 1HB ASN 114 0.864 17.591 -11.587 845 2HB ASN 114 2HB ASN 114 2.178 16.439 -11.758 846 1HD2 ASN 114 1HD2 ASN 114 -0.589 16.111 -12.394 847 2HD2 ASN 114 2HD2 ASN 114 -1.166 14.738 -11.440 848 H LYS 115 H LYS 115 2.484 16.330 -7.473 849 HA LYS 115 HA LYS 115 5.201 15.555 -7.870 850 1HB LYS 115 1HB LYS 115 3.126 15.426 -5.718 851 2HB LYS 115 2HB LYS 115 4.349 14.156 -5.602 852 1HG LYS 115 1HG LYS 115 5.964 15.489 -5.024 853 2HG LYS 115 2HG LYS 115 5.492 16.775 -6.175 854 1HD LYS 115 1HD LYS 115 3.632 16.567 -3.959 855 2HD LYS 115 2HD LYS 115 5.286 16.772 -3.378 856 1HE LYS 115 1HE LYS 115 4.994 18.965 -3.771 857 2HE LYS 115 2HE LYS 115 5.245 18.578 -5.474 858 1HZ LYS 115 1HZ LYS 115 2.998 18.569 -5.880 859 2HZ LYS 115 2HZ LYS 115 2.579 18.403 -4.278 860 3HZ LYS 115 3HZ LYS 115 3.154 19.835 -4.849 861 H VAL 116 H VAL 116 4.575 14.521 -9.956 862 HA VAL 116 HA VAL 116 3.288 11.964 -9.982 863 HB VAL 116 HB VAL 116 5.049 13.482 -11.934 864 1HG1 VAL 116 1HG1 VAL 116 4.435 10.591 -11.930 865 2HG1 VAL 116 2HG1 VAL 116 3.844 11.376 -13.372 866 3HG1 VAL 116 3HG1 VAL 116 5.561 11.536 -12.926 867 1HG2 VAL 116 1HG2 VAL 116 2.277 12.630 -12.631 868 2HG2 VAL 116 2HG2 VAL 116 2.408 13.810 -11.332 869 3HG2 VAL 116 3HG2 VAL 116 3.125 14.163 -12.916 870 H PHE 117 H PHE 117 4.505 11.312 -8.001 871 HA PHE 117 HA PHE 117 7.068 10.774 -7.543 872 1HB PHE 117 1HB PHE 117 5.192 10.035 -6.124 873 2HB PHE 117 2HB PHE 117 4.700 8.863 -7.345 874 HD1 PHE 117 HD1 PHE 117 6.584 9.316 -4.380 875 HD2 PHE 117 HD2 PHE 117 6.463 6.980 -8.010 876 HE1 PHE 117 HE1 PHE 117 8.045 7.584 -3.370 877 HE2 PHE 117 HE2 PHE 117 7.947 5.388 -7.056 878 HZ PHE 117 HZ PHE 117 8.733 5.588 -4.721 879 H CYS 118 H CYS 118 8.695 10.076 -8.797 880 HA CYS 118 HA CYS 118 8.067 8.184 -10.969 881 1HB CYS 118 1HB CYS 118 9.798 10.475 -10.707 882 2HB CYS 118 2HB CYS 118 10.776 9.048 -10.933 883 H GLY 119 H GLY 119 9.931 8.606 -7.986 884 1HA GLY 119 1HA GLY 119 10.006 6.191 -6.897 885 2HA GLY 119 2HA GLY 119 11.129 5.928 -8.224 886 H ILE 120 H ILE 120 12.407 5.460 -6.168 887 HA ILE 120 HA ILE 120 13.487 8.011 -5.098 888 HB ILE 120 HB ILE 120 13.409 5.194 -3.954 889 1HG1 ILE 120 1HG1 ILE 120 12.382 6.541 -1.997 890 2HG1 ILE 120 2HG1 ILE 120 12.189 7.841 -3.164 891 1HG2 ILE 120 1HG2 ILE 120 14.800 5.726 -2.225 892 2HG2 ILE 120 2HG2 ILE 120 15.686 6.468 -3.536 893 3HG2 ILE 120 3HG2 ILE 120 14.678 7.474 -2.494 894 1HD1 ILE 120 1HD1 ILE 120 10.263 6.027 -2.806 895 2HD1 ILE 120 2HD1 ILE 120 10.614 6.695 -4.402 896 3HD1 ILE 120 3HD1 ILE 120 11.223 5.088 -3.943 897 H ILE 121 H ILE 121 15.726 8.347 -5.092 898 HA ILE 121 HA ILE 121 17.202 6.473 -6.899 899 HB ILE 121 HB ILE 121 18.281 8.226 -7.955 900 1HG1 ILE 121 1HG1 ILE 121 17.233 10.107 -5.824 901 2HG1 ILE 121 2HG1 ILE 121 18.889 9.566 -6.002 902 1HG2 ILE 121 1HG2 ILE 121 16.299 9.797 -8.665 903 2HG2 ILE 121 2HG2 ILE 121 16.083 8.046 -8.860 904 3HG2 ILE 121 3HG2 ILE 121 15.313 8.954 -7.543 905 1HD1 ILE 121 1HD1 ILE 121 18.377 10.580 -8.506 906 2HD1 ILE 121 2HD1 ILE 121 17.527 11.705 -7.458 907 3HD1 ILE 121 3HD1 ILE 121 19.268 11.392 -7.245 908 H ALA 122 H ALA 122 19.411 6.221 -6.463 909 HA ALA 122 HA ALA 122 20.805 7.414 -4.293 910 1HB ALA 122 1HB ALA 122 20.437 6.169 -2.446 911 2HB ALA 122 2HB ALA 122 18.895 5.814 -3.199 912 3HB ALA 122 3HB ALA 122 20.231 4.666 -3.414 913 H HIS 123 H HIS 123 22.920 7.003 -4.596 914 HA HIS 123 HA HIS 123 23.670 4.979 -6.611 915 1HB HIS 123 1HB HIS 123 25.915 6.041 -6.323 916 2HB HIS 123 2HB HIS 123 24.629 7.043 -6.998 917 HD1 HIS 123 HD1 HIS 123 26.164 9.131 -6.424 918 HD2 HIS 123 HD2 HIS 123 24.572 6.914 -3.195 919 HE1 HIS 123 HE1 HIS 123 26.404 10.605 -4.317 920 HE2 HIS 123 HE2 HIS 123 25.384 9.205 -2.350 921 H THR 124 H THR 124 23.485 3.021 -5.613 922 HA THR 124 HA THR 124 25.091 2.627 -3.132 923 HB THR 124 HB THR 124 22.589 1.936 -3.453 924 HG1 THR 124 HG1 THR 124 23.170 0.065 -2.146 925 1HG2 THR 124 1HG2 THR 124 23.632 -0.710 -4.329 926 2HG2 THR 124 2HG2 THR 124 22.050 0.025 -4.644 927 3HG2 THR 124 3HG2 THR 124 23.467 0.491 -5.613 928 H LYS 125 H LYS 125 26.495 3.142 -5.413 929 HA LYS 125 HA LYS 125 27.494 0.466 -6.346 930 1HB LYS 125 1HB LYS 125 27.109 2.002 -8.138 931 2HB LYS 125 2HB LYS 125 27.980 3.297 -7.320 932 1HG LYS 125 1HG LYS 125 29.793 1.029 -7.512 933 2HG LYS 125 2HG LYS 125 29.004 1.169 -9.058 934 1HD LYS 125 1HD LYS 125 29.803 3.337 -9.405 935 2HD LYS 125 2HD LYS 125 30.124 3.636 -7.680 936 1HE LYS 125 1HE LYS 125 32.096 2.442 -7.632 937 2HE LYS 125 2HE LYS 125 31.638 1.395 -8.967 938 1HZ LYS 125 1HZ LYS 125 31.776 4.109 -9.803 939 2HZ LYS 125 2HZ LYS 125 33.196 3.648 -9.137 940 3HZ LYS 125 3HZ LYS 125 32.593 2.792 -10.398 941 H GLU 126 H GLU 126 28.571 3.394 -4.568 942 HA GLU 126 HA GLU 126 30.079 2.167 -2.728 943 1HB GLU 126 1HB GLU 126 31.410 2.025 -5.318 944 2HB GLU 126 2HB GLU 126 32.355 3.014 -4.316 945 1HG GLU 126 1HG GLU 126 32.899 1.412 -2.799 946 2HG GLU 126 2HG GLU 126 31.371 0.551 -2.951 947 H ASN 127 H ASN 127 31.534 4.602 -4.813 948 HA ASN 127 HA ASN 127 30.465 6.825 -3.294 949 1HB ASN 127 1HB ASN 127 32.897 5.563 -2.416 950 2HB ASN 127 2HB ASN 127 33.411 7.038 -3.202 951 1HD2 ASN 127 1HD2 ASN 127 33.445 6.319 -0.428 952 2HD2 ASN 127 2HD2 ASN 127 32.522 7.577 0.407 953 H GLN 128 H GLN 128 30.481 5.889 -6.082 954 HA GLN 128 HA GLN 128 31.073 8.306 -7.347 955 1HB GLN 128 1HB GLN 128 33.372 6.455 -7.159 956 2HB GLN 128 2HB GLN 128 32.938 6.720 -8.837 957 1HG GLN 128 1HG GLN 128 32.786 9.316 -7.888 958 2HG GLN 128 2HG GLN 128 34.037 8.633 -6.846 959 1HE2 GLN 128 1HE2 GLN 128 35.987 8.980 -7.615 960 2HE2 GLN 128 2HE2 GLN 128 36.425 9.018 -9.332 961 H GLY 129 H GLY 129 28.999 7.955 -8.104 962 1HA GLY 129 1HA GLY 129 28.690 6.883 -10.669 963 2HA GLY 129 2HA GLY 129 28.237 5.558 -9.519 964 H GLU 130 H GLU 130 27.195 8.583 -10.927 965 HA GLU 130 HA GLU 130 25.422 9.743 -9.398 966 1HB GLU 130 1HB GLU 130 24.484 8.696 -12.078 967 2HB GLU 130 2HB GLU 130 24.146 10.216 -11.249 968 1HG GLU 130 1HG GLU 130 26.711 10.664 -11.474 969 2HG GLU 130 2HG GLU 130 26.683 9.344 -12.644 970 H LEU 131 H LEU 131 23.386 9.522 -8.554 971 HA LEU 131 HA LEU 131 22.716 6.918 -7.604 972 1HB LEU 131 1HB LEU 131 20.650 9.072 -7.679 973 2HB LEU 131 2HB LEU 131 21.105 7.956 -6.443 974 HG LEU 131 HG LEU 131 23.364 9.444 -6.414 975 1HD1 LEU 131 1HD1 LEU 131 21.843 10.904 -8.147 976 2HD1 LEU 131 2HD1 LEU 131 21.353 11.624 -6.611 977 3HD1 LEU 131 3HD1 LEU 131 23.064 11.598 -7.072 978 1HD2 LEU 131 1HD2 LEU 131 22.111 10.762 -4.533 979 2HD2 LEU 131 2HD2 LEU 131 20.840 9.567 -4.810 980 3HD2 LEU 131 3HD2 LEU 131 22.478 9.041 -4.359 981 H LYS 132 H LYS 132 20.802 5.676 -7.974 982 HA LYS 132 HA LYS 132 19.711 5.975 -10.733 983 1HB LYS 132 1HB LYS 132 19.834 3.395 -10.673 984 2HB LYS 132 2HB LYS 132 21.190 4.361 -11.217 985 1HG LYS 132 1HG LYS 132 22.263 4.165 -8.967 986 2HG LYS 132 2HG LYS 132 20.901 3.187 -8.403 987 1HD LYS 132 1HD LYS 132 21.664 1.324 -9.474 988 2HD LYS 132 2HD LYS 132 22.196 2.211 -10.907 989 1HE LYS 132 1HE LYS 132 23.695 2.502 -8.281 990 2HE LYS 132 2HE LYS 132 23.993 1.119 -9.342 991 1HZ LYS 132 1HZ LYS 132 25.500 2.764 -10.035 992 2HZ LYS 132 2HZ LYS 132 24.300 2.853 -11.145 993 3HZ LYS 132 3HZ LYS 132 24.390 3.990 -9.988 994 H LEU 133 H LEU 133 17.702 4.955 -11.031 995 HA LEU 133 HA LEU 133 15.947 5.498 -8.870 996 1HB LEU 133 1HB LEU 133 15.573 5.271 -11.531 997 2HB LEU 133 2HB LEU 133 15.165 3.643 -11.148 998 HG LEU 133 HG LEU 133 13.353 4.444 -9.635 999 1HD1 LEU 133 1HD1 LEU 133 14.031 6.478 -8.718 1000 2HD1 LEU 133 2HD1 LEU 133 14.576 7.117 -10.263 1001 3HD1 LEU 133 3HD1 LEU 133 12.833 7.002 -9.843 1002 1HD2 LEU 133 1HD2 LEU 133 12.938 4.077 -12.065 1003 2HD2 LEU 133 2HD2 LEU 133 11.886 5.306 -11.361 1004 3HD2 LEU 133 3HD2 LEU 133 13.308 5.767 -12.361 1005 H CYS 134 H CYS 134 15.323 4.279 -7.207 1006 HA CYS 134 HA CYS 134 16.619 1.923 -6.457 1007 1HB CYS 134 1HB CYS 134 13.879 2.917 -5.573 1008 2HB CYS 134 2HB CYS 134 14.864 1.765 -4.740 1009 H SER 135 H SER 135 14.946 0.017 -5.728 1010 HA SER 135 HA SER 135 13.184 -0.692 -8.021 1011 1HB SER 135 1HB SER 135 15.379 -2.680 -7.357 1012 2HB SER 135 2HB SER 135 14.380 -2.519 -8.807 1013 HG SER 135 HG SER 135 16.727 -1.853 -8.796 1014 H HIS 136 H HIS 136 11.685 -0.510 -6.245 1015 HA HIS 136 HA HIS 136 11.613 -1.793 -3.816 1016 1HB HIS 136 1HB HIS 136 9.136 -2.225 -4.541 1017 2HB HIS 136 2HB HIS 136 9.638 -0.598 -4.215 1018 HD1 HIS 136 HD1 HIS 136 10.654 -2.156 -7.436 1019 HD2 HIS 136 HD2 HIS 136 7.608 0.249 -5.967 1020 HE1 HIS 136 HE1 HIS 136 9.553 -0.998 -9.530 1021 HE2 HIS 136 HE2 HIS 136 7.615 0.445 -8.539 Start of MODEL 17 1 1H ALA 1 H1 ALA 1 1.425 -0.887 0.466 2 2H ALA 1 H2 ALA 1 0.305 0.161 -0.118 3 3H ALA 1 H3 ALA 1 1.614 0.743 0.685 4 HA ALA 1 HA ALA 1 1.394 0.228 -2.064 5 1HB ALA 1 1HB ALA 1 2.657 2.121 -0.938 6 2HB ALA 1 2HB ALA 1 3.900 0.920 -0.472 7 3HB ALA 1 3HB ALA 1 3.588 1.272 -2.189 8 H VAL 2 H VAL 2 4.109 -0.547 -2.717 9 HA VAL 2 HA VAL 2 5.410 -2.365 -3.072 10 HB VAL 2 HB VAL 2 4.673 -2.751 -0.397 11 1HG1 VAL 2 1HG1 VAL 2 3.970 -4.877 -0.005 12 2HG1 VAL 2 2HG1 VAL 2 2.973 -4.404 -1.343 13 3HG1 VAL 2 3HG1 VAL 2 4.352 -5.419 -1.714 14 1HG2 VAL 2 1HG2 VAL 2 6.452 -4.445 -0.359 15 2HG2 VAL 2 2HG2 VAL 2 6.567 -4.309 -2.133 16 3HG2 VAL 2 3HG2 VAL 2 6.886 -2.888 -1.090 17 H THR 3 H THR 3 5.300 -4.079 -4.496 18 HA THR 3 HA THR 3 2.602 -4.534 -5.631 19 HB THR 3 HB THR 3 5.277 -5.280 -6.836 20 HG1 THR 3 HG1 THR 3 5.544 -3.190 -6.711 21 1HG2 THR 3 1HG2 THR 3 3.927 -4.715 -8.870 22 2HG2 THR 3 2HG2 THR 3 3.268 -6.107 -7.914 23 3HG2 THR 3 3HG2 THR 3 2.509 -4.500 -7.898 24 H TRP 4 H TRP 4 1.502 -6.257 -4.859 25 HA TRP 4 HA TRP 4 2.876 -8.481 -3.588 26 1HB TRP 4 1HB TRP 4 -0.068 -7.887 -4.111 27 2HB TRP 4 2HB TRP 4 0.595 -9.220 -3.205 28 HD1 TRP 4 HD1 TRP 4 1.176 -5.385 -3.007 29 HE1 TRP 4 HE1 TRP 4 1.097 -4.725 -0.535 30 HE3 TRP 4 HE3 TRP 4 0.088 -9.898 -0.936 31 HZ2 TRP 4 HZ2 TRP 4 0.516 -5.901 2.003 32 HZ3 TRP 4 HZ3 TRP 4 -0.283 -10.117 1.513 33 HH2 TRP 4 HH2 TRP 4 -0.076 -8.134 2.994 34 H THR 5 H THR 5 3.096 -10.503 -4.438 35 HA THR 5 HA THR 5 1.997 -10.943 -7.201 36 HB THR 5 HB THR 5 4.828 -10.813 -6.300 37 HG1 THR 5 HG1 THR 5 4.591 -9.572 -7.938 38 1HG2 THR 5 1HG2 THR 5 5.625 -12.452 -7.877 39 2HG2 THR 5 2HG2 THR 5 4.552 -13.314 -6.792 40 3HG2 THR 5 3HG2 THR 5 3.977 -12.820 -8.427 41 H CYS 6 H CYS 6 1.426 -12.932 -7.658 42 HA CYS 6 HA CYS 6 1.661 -15.020 -5.503 43 1HB CYS 6 1HB CYS 6 -0.782 -13.820 -6.653 44 2HB CYS 6 2HB CYS 6 -0.737 -15.552 -6.763 45 H GLY 7 H GLY 7 3.333 -14.587 -7.791 46 1HA GLY 7 1HA GLY 7 4.045 -16.984 -8.685 47 2HA GLY 7 2HA GLY 7 2.614 -16.715 -9.724 48 H GLY 8 H GLY 8 2.721 -15.285 -11.376 49 1HA GLY 8 1HA GLY 8 5.357 -13.912 -11.912 50 2HA GLY 8 2HA GLY 8 4.377 -14.682 -13.173 51 H LEU 9 H LEU 9 2.158 -13.335 -11.154 52 HA LEU 9 HA LEU 9 1.942 -10.899 -12.844 53 1HB LEU 9 1HB LEU 9 -0.435 -11.465 -11.334 54 2HB LEU 9 2HB LEU 9 -0.211 -11.302 -13.046 55 HG LEU 9 HG LEU 9 0.612 -13.855 -12.901 56 1HD1 LEU 9 1HD1 LEU 9 0.270 -14.979 -10.972 57 2HD1 LEU 9 2HD1 LEU 9 0.064 -13.410 -10.166 58 3HD1 LEU 9 3HD1 LEU 9 -1.344 -14.287 -10.759 59 1HD2 LEU 9 1HD2 LEU 9 -1.791 -14.566 -13.079 60 2HD2 LEU 9 2HD2 LEU 9 -2.191 -12.833 -12.911 61 3HD2 LEU 9 3HD2 LEU 9 -1.149 -13.394 -14.239 62 H LEU 10 H LEU 10 1.831 -8.991 -11.897 63 HA LEU 10 HA LEU 10 2.512 -8.807 -8.997 64 1HB LEU 10 1HB LEU 10 3.245 -7.291 -11.494 65 2HB LEU 10 2HB LEU 10 2.836 -6.307 -10.139 66 HG LEU 10 HG LEU 10 4.539 -7.668 -8.744 67 1HD1 LEU 10 1HD1 LEU 10 5.572 -8.652 -11.413 68 2HD1 LEU 10 2HD1 LEU 10 6.074 -9.107 -9.752 69 3HD1 LEU 10 3HD1 LEU 10 4.528 -9.624 -10.412 70 1HD2 LEU 10 1HD2 LEU 10 6.414 -6.648 -10.690 71 2HD2 LEU 10 2HD2 LEU 10 5.006 -5.584 -10.699 72 3HD2 LEU 10 3HD2 LEU 10 5.877 -5.914 -9.187 73 H TYR 11 H TYR 11 1.539 -7.150 -7.786 74 HA TYR 11 HA TYR 11 -1.108 -6.075 -8.622 75 1HB TYR 11 1HB TYR 11 -0.638 -7.889 -6.214 76 2HB TYR 11 2HB TYR 11 -2.105 -7.071 -6.622 77 HD1 TYR 11 HD1 TYR 11 -0.596 -10.200 -6.667 78 HD2 TYR 11 HD2 TYR 11 -2.785 -7.537 -9.275 79 HE1 TYR 11 HE1 TYR 11 -1.233 -12.110 -8.134 80 HE2 TYR 11 HE2 TYR 11 -3.431 -9.425 -10.697 81 HH TYR 11 HH TYR 11 -3.436 -11.602 -10.899 82 H ASN 12 H ASN 12 -0.110 -4.040 -8.477 83 HA ASN 12 HA ASN 12 1.397 -3.058 -6.253 84 1HB ASN 12 1HB ASN 12 0.451 -1.956 -8.645 85 2HB ASN 12 2HB ASN 12 -0.482 -1.097 -7.408 86 1HD2 ASN 12 1HD2 ASN 12 0.557 0.224 -5.882 87 2HD2 ASN 12 2HD2 ASN 12 2.273 0.635 -6.203 88 H GLN 13 H GLN 13 0.776 -3.088 -4.147 89 HA GLN 13 HA GLN 13 -1.711 -3.628 -3.111 90 1HB GLN 13 1HB GLN 13 0.236 -3.326 -1.751 91 2HB GLN 13 2HB GLN 13 0.225 -1.598 -2.116 92 1HG GLN 13 1HG GLN 13 -1.139 -1.101 -0.383 93 2HG GLN 13 2HG GLN 13 -2.385 -2.202 -0.969 94 1HE2 GLN 13 1HE2 GLN 13 -1.360 -4.585 -0.842 95 2HE2 GLN 13 2HE2 GLN 13 -1.138 -4.968 0.859 96 H ASN 14 H ASN 14 -0.544 -0.282 -3.640 97 HA ASN 14 HA ASN 14 -2.775 1.210 -2.998 98 1HB ASN 14 1HB ASN 14 -0.442 1.827 -4.270 99 2HB ASN 14 2HB ASN 14 -1.541 1.836 -5.663 100 1HD2 ASN 14 1HD2 ASN 14 -0.076 4.070 -4.306 101 2HD2 ASN 14 2HD2 ASN 14 -1.430 5.146 -3.888 102 H LYS 15 H LYS 15 -2.418 -0.901 -5.760 103 HA LYS 15 HA LYS 15 -4.994 -0.154 -7.006 104 1HB LYS 15 1HB LYS 15 -2.545 -1.581 -7.858 105 2HB LYS 15 2HB LYS 15 -4.013 -2.465 -8.254 106 1HG LYS 15 1HG LYS 15 -4.734 -0.915 -9.691 107 2HG LYS 15 2HG LYS 15 -4.134 0.482 -8.806 108 1HD LYS 15 1HD LYS 15 -2.125 -1.387 -10.114 109 2HD LYS 15 2HD LYS 15 -2.966 -0.143 -11.040 110 1HE LYS 15 1HE LYS 15 -2.292 1.474 -9.091 111 2HE LYS 15 2HE LYS 15 -1.072 0.247 -8.734 112 1HZ LYS 15 1HZ LYS 15 -1.131 2.143 -10.863 113 2HZ LYS 15 2HZ LYS 15 0.126 1.189 -10.409 114 3HZ LYS 15 3HZ LYS 15 -0.996 0.627 -11.466 115 H ALA 16 H ALA 16 -3.529 -3.123 -5.534 116 HA ALA 16 HA ALA 16 -5.852 -4.701 -5.435 117 1HB ALA 16 1HB ALA 16 -3.621 -5.468 -4.775 118 2HB ALA 16 2HB ALA 16 -3.713 -4.379 -3.374 119 3HB ALA 16 3HB ALA 16 -4.857 -5.751 -3.539 120 H GLU 17 H GLU 17 -5.062 -1.947 -3.395 121 HA GLU 17 HA GLU 17 -7.534 -2.251 -1.815 122 1HB GLU 17 1HB GLU 17 -6.757 -0.517 -0.459 123 2HB GLU 17 2HB GLU 17 -5.319 -1.514 -0.841 124 1HG GLU 17 1HG GLU 17 -4.770 0.089 -2.623 125 2HG GLU 17 2HG GLU 17 -6.083 1.151 -2.085 126 H SER 18 H SER 18 -6.121 0.149 -4.156 127 HA SER 18 HA SER 18 -8.360 1.865 -4.249 128 1HB SER 18 1HB SER 18 -6.277 2.586 -5.186 129 2HB SER 18 2HB SER 18 -6.341 1.271 -6.397 130 HG SER 18 HG SER 18 -6.897 3.357 -7.098 131 H ASN 19 H ASN 19 -7.908 -1.334 -5.589 132 HA ASN 19 HA ASN 19 -9.967 -1.131 -7.565 133 1HB ASN 19 1HB ASN 19 -7.915 -2.878 -7.311 134 2HB ASN 19 2HB ASN 19 -9.106 -3.773 -6.383 135 1HD2 ASN 19 1HD2 ASN 19 -11.426 -3.122 -7.797 136 2HD2 ASN 19 2HD2 ASN 19 -11.237 -3.686 -9.453 137 H SER 20 H SER 20 -9.644 -2.353 -4.262 138 HA SER 20 HA SER 20 -12.411 -3.251 -4.027 139 1HB SER 20 1HB SER 20 -11.461 -4.498 -2.545 140 2HB SER 20 2HB SER 20 -9.960 -3.590 -2.545 141 HG SER 20 HG SER 20 -10.531 -2.576 -0.803 142 H HIS 21 H HIS 21 -11.054 -0.260 -4.230 143 HA HIS 21 HA HIS 21 -12.563 1.073 -2.056 144 1HB HIS 21 1HB HIS 21 -10.913 2.062 -4.387 145 2HB HIS 21 2HB HIS 21 -11.888 3.157 -3.484 146 HD1 HIS 21 HD1 HIS 21 -9.539 4.329 -2.812 147 HD2 HIS 21 HD2 HIS 21 -10.244 0.443 -1.367 148 HE1 HIS 21 HE1 HIS 21 -7.791 3.922 -0.913 149 HE2 HIS 21 HE2 HIS 21 -8.185 1.566 -0.065 150 H HIS 22 H HIS 22 -13.018 0.651 -5.660 151 HA HIS 22 HA HIS 22 -15.505 2.092 -5.533 152 1HB HIS 22 1HB HIS 22 -14.990 0.500 -7.924 153 2HB HIS 22 2HB HIS 22 -15.225 2.233 -7.752 154 HD1 HIS 22 HD1 HIS 22 -12.827 -0.082 -9.047 155 HD2 HIS 22 HD2 HIS 22 -12.721 3.473 -6.751 156 HE1 HIS 22 HE1 HIS 22 -10.412 0.719 -9.099 157 HE2 HIS 22 HE2 HIS 22 -10.330 2.923 -7.780 158 H ALA 23 H ALA 23 -14.354 -1.267 -5.682 159 HA ALA 23 HA ALA 23 -16.453 -2.695 -6.289 160 1HB ALA 23 1HB ALA 23 -15.202 -3.652 -3.773 161 2HB ALA 23 2HB ALA 23 -15.496 -4.327 -5.358 162 3HB ALA 23 3HB ALA 23 -14.108 -3.270 -5.166 163 HA PRO 24 HA PRO 24 -19.554 -1.308 -3.388 164 1HB PRO 24 1HB PRO 24 -21.586 -3.111 -4.098 165 2HB PRO 24 2HB PRO 24 -21.197 -1.556 -4.926 166 1HG PRO 24 1HG PRO 24 -20.642 -4.314 -5.680 167 2HG PRO 24 2HG PRO 24 -20.748 -2.870 -6.768 168 1HD PRO 24 1HD PRO 24 -18.412 -4.215 -5.885 169 2HD PRO 24 2HD PRO 24 -18.513 -2.628 -6.706 170 H LEU 25 H LEU 25 -19.739 -1.796 -1.286 171 HA LEU 25 HA LEU 25 -18.652 -4.188 -0.171 172 1HB LEU 25 1HB LEU 25 -19.419 -1.569 0.742 173 2HB LEU 25 2HB LEU 25 -20.418 -2.724 1.592 174 HG LEU 25 HG LEU 25 -18.317 -4.008 2.156 175 1HD1 LEU 25 1HD1 LEU 25 -16.227 -2.717 2.090 176 2HD1 LEU 25 2HD1 LEU 25 -16.785 -3.200 0.503 177 3HD1 LEU 25 3HD1 LEU 25 -17.043 -1.526 0.984 178 1HD2 LEU 25 1HD2 LEU 25 -18.054 -1.149 3.225 179 2HD2 LEU 25 2HD2 LEU 25 -19.491 -2.086 3.578 180 3HD2 LEU 25 3HD2 LEU 25 -17.893 -2.677 4.074 181 H SER 26 H SER 26 -19.620 -6.123 -0.333 182 HA SER 26 HA SER 26 -22.189 -6.696 0.724 183 1HB SER 26 1HB SER 26 -22.289 -5.681 -1.978 184 2HB SER 26 2HB SER 26 -22.568 -7.426 -2.055 185 HG SER 26 HG SER 26 -23.798 -5.857 -0.077 186 H ASP 27 H ASP 27 -22.897 -9.060 -0.098 187 HA ASP 27 HA ASP 27 -20.347 -10.709 -0.450 188 1HB ASP 27 1HB ASP 27 -21.112 -11.087 1.748 189 2HB ASP 27 2HB ASP 27 -22.751 -11.013 1.130 190 H GLY 28 H GLY 28 -20.694 -10.275 -2.727 191 1HA GLY 28 1HA GLY 28 -21.210 -11.422 -4.754 192 2HA GLY 28 2HA GLY 28 -22.229 -12.543 -3.798 193 H LYS 29 H LYS 29 -22.123 -9.217 -4.922 194 HA LYS 29 HA LYS 29 -24.885 -9.364 -5.908 195 1HB LYS 29 1HB LYS 29 -24.196 -7.960 -3.372 196 2HB LYS 29 2HB LYS 29 -25.166 -7.011 -4.445 197 1HG LYS 29 1HG LYS 29 -26.260 -9.742 -4.316 198 2HG LYS 29 2HG LYS 29 -26.021 -9.071 -2.706 199 1HD LYS 29 1HD LYS 29 -28.147 -8.317 -3.223 200 2HD LYS 29 2HD LYS 29 -27.193 -6.932 -3.774 201 1HE LYS 29 1HE LYS 29 -27.142 -8.065 -6.087 202 2HE LYS 29 2HE LYS 29 -28.337 -9.210 -5.464 203 1HZ LYS 29 1HZ LYS 29 -29.108 -7.016 -6.631 204 2HZ LYS 29 2HZ LYS 29 -29.924 -7.538 -5.293 205 3HZ LYS 29 3HZ LYS 29 -28.816 -6.329 -5.173 206 H THR 30 H THR 30 -22.827 -9.229 -7.449 207 HA THR 30 HA THR 30 -22.858 -6.426 -8.528 208 HB THR 30 HB THR 30 -20.392 -7.179 -9.137 209 HG1 THR 30 HG1 THR 30 -20.863 -8.515 -6.728 210 1HG2 THR 30 1HG2 THR 30 -19.574 -5.987 -7.348 211 2HG2 THR 30 2HG2 THR 30 -21.193 -5.354 -7.534 212 3HG2 THR 30 3HG2 THR 30 -20.853 -6.535 -6.223 213 H GLY 31 H GLY 31 -22.696 -6.303 -10.707 214 1HA GLY 31 1HA GLY 31 -24.206 -7.887 -12.285 215 2HA GLY 31 2HA GLY 31 -22.775 -7.064 -12.917 216 H SER 32 H SER 32 -20.681 -8.102 -12.543 217 HA SER 32 HA SER 32 -20.693 -10.664 -13.922 218 1HB SER 32 1HB SER 32 -18.749 -9.158 -14.044 219 2HB SER 32 2HB SER 32 -18.488 -9.381 -12.278 220 HG SER 32 HG SER 32 -17.167 -10.822 -13.327 221 H SER 33 H SER 33 -20.118 -9.819 -10.512 222 HA SER 33 HA SER 33 -21.411 -11.599 -9.078 223 1HB SER 33 1HB SER 33 -19.150 -13.036 -10.392 224 2HB SER 33 2HB SER 33 -19.393 -13.407 -8.688 225 HG SER 33 HG SER 33 -21.586 -13.957 -9.253 226 H TYR 34 H TYR 34 -18.072 -10.612 -9.599 227 HA TYR 34 HA TYR 34 -17.399 -10.594 -6.828 228 1HB TYR 34 1HB TYR 34 -15.995 -9.393 -9.229 229 2HB TYR 34 2HB TYR 34 -15.330 -9.511 -7.607 230 HD1 TYR 34 HD1 TYR 34 -16.001 -11.240 -10.737 231 HD2 TYR 34 HD2 TYR 34 -14.907 -11.814 -6.590 232 HE1 TYR 34 HE1 TYR 34 -15.333 -13.545 -11.238 233 HE2 TYR 34 HE2 TYR 34 -14.261 -14.174 -7.203 234 HH TYR 34 HH TYR 34 -15.052 -15.860 -9.606 235 HA PRO 35 HA PRO 35 -15.962 -9.452 -5.544 236 1HB PRO 35 1HB PRO 35 -16.345 -8.351 -3.206 237 2HB PRO 35 2HB PRO 35 -15.163 -7.832 -4.324 238 1HG PRO 35 1HG PRO 35 -17.745 -6.528 -3.502 239 2HG PRO 35 2HG PRO 35 -16.293 -5.784 -4.167 240 1HD PRO 35 1HD PRO 35 -18.702 -6.561 -5.444 241 2HD PRO 35 2HD PRO 35 -17.245 -5.956 -6.317 242 H HIS 36 H HIS 36 -16.363 -10.568 -3.286 243 HA HIS 36 HA HIS 36 -19.114 -11.270 -2.773 244 1HB HIS 36 1HB HIS 36 -18.948 -13.649 -3.358 245 2HB HIS 36 2HB HIS 36 -18.841 -12.611 -4.792 246 HD1 HIS 36 HD1 HIS 36 -17.694 -15.666 -4.252 247 HD2 HIS 36 HD2 HIS 36 -15.558 -12.059 -4.457 248 HE1 HIS 36 HE1 HIS 36 -15.255 -16.230 -4.993 249 HE2 HIS 36 HE2 HIS 36 -14.071 -13.997 -5.062 250 H TRP 37 H TRP 37 -19.275 -13.093 -1.037 251 HA TRP 37 HA TRP 37 -17.280 -12.337 0.988 252 1HB TRP 37 1HB TRP 37 -19.484 -12.826 1.679 253 2HB TRP 37 2HB TRP 37 -19.409 -14.428 0.829 254 HD1 TRP 37 HD1 TRP 37 -17.061 -13.099 3.509 255 HE1 TRP 37 HE1 TRP 37 -16.921 -14.876 5.312 256 HE3 TRP 37 HE3 TRP 37 -20.556 -16.281 1.671 257 HZ2 TRP 37 HZ2 TRP 37 -18.203 -17.384 5.929 258 HZ3 TRP 37 HZ3 TRP 37 -21.096 -18.411 2.888 259 HH2 TRP 37 HH2 TRP 37 -19.856 -18.953 4.954 260 H PHE 38 H PHE 38 -15.766 -13.581 1.824 261 HA PHE 38 HA PHE 38 -14.636 -15.819 0.246 262 1HB PHE 38 1HB PHE 38 -13.150 -13.837 0.149 263 2HB PHE 38 2HB PHE 38 -13.328 -13.587 1.857 264 HD1 PHE 38 HD1 PHE 38 -12.662 -16.806 0.025 265 HD2 PHE 38 HD2 PHE 38 -11.229 -13.768 2.710 266 HE1 PHE 38 HE1 PHE 38 -10.637 -18.170 0.489 267 HE2 PHE 38 HE2 PHE 38 -9.174 -15.098 3.138 268 HZ PHE 38 HZ PHE 38 -8.897 -17.301 2.037 269 H THR 39 H THR 39 -16.081 -17.098 1.507 270 HA THR 39 HA THR 39 -16.303 -17.649 4.139 271 HB THR 39 HB THR 39 -16.101 -20.113 3.553 272 HG1 THR 39 HG1 THR 39 -15.462 -19.173 1.025 273 1HG2 THR 39 1HG2 THR 39 -17.515 -19.382 1.121 274 2HG2 THR 39 2HG2 THR 39 -18.194 -19.885 2.680 275 3HG2 THR 39 3HG2 THR 39 -17.886 -18.180 2.348 276 H ASN 40 H ASN 40 -13.299 -18.124 2.342 277 HA ASN 40 HA ASN 40 -11.108 -18.546 3.086 278 1HB ASN 40 1HB ASN 40 -11.589 -16.279 4.101 279 2HB ASN 40 2HB ASN 40 -12.096 -17.045 5.555 280 1HD2 ASN 40 1HD2 ASN 40 -10.407 -15.814 6.593 281 2HD2 ASN 40 2HD2 ASN 40 -8.784 -16.519 6.605 282 H GLY 41 H GLY 41 -13.388 -20.369 3.823 283 1HA GLY 41 1HA GLY 41 -12.811 -22.669 4.580 284 2HA GLY 41 2HA GLY 41 -11.987 -21.907 5.963 285 H TYR 42 H TYR 42 -13.925 -19.809 6.480 286 HA TYR 42 HA TYR 42 -15.500 -21.083 8.435 287 1HB TYR 42 1HB TYR 42 -15.838 -18.421 6.980 288 2HB TYR 42 2HB TYR 42 -16.815 -18.880 8.319 289 HD1 TYR 42 HD1 TYR 42 -15.922 -19.082 10.543 290 HD2 TYR 42 HD2 TYR 42 -13.418 -17.689 7.336 291 HE1 TYR 42 HE1 TYR 42 -14.200 -18.320 12.187 292 HE2 TYR 42 HE2 TYR 42 -11.751 -16.868 8.939 293 HH TYR 42 HH TYR 42 -11.207 -16.612 11.180 294 H ASP 43 H ASP 43 -17.663 -21.615 8.549 295 HA ASP 43 HA ASP 43 -18.862 -22.503 5.977 296 1HB ASP 43 1HB ASP 43 -19.193 -23.064 8.849 297 2HB ASP 43 2HB ASP 43 -20.741 -22.809 8.076 298 H GLY 44 H GLY 44 -19.491 -20.118 8.446 299 1HA GLY 44 1HA GLY 44 -20.814 -18.235 6.762 300 2HA GLY 44 2HA GLY 44 -22.021 -19.184 7.656 301 H ASP 45 H ASP 45 -21.101 -19.487 10.203 302 HA ASP 45 HA ASP 45 -21.079 -16.767 11.169 303 1HB ASP 45 1HB ASP 45 -20.686 -19.297 12.790 304 2HB ASP 45 2HB ASP 45 -21.418 -17.752 13.226 305 H GLY 46 H GLY 46 -19.553 -17.416 13.488 306 1HA GLY 46 1HA GLY 46 -16.820 -16.926 12.439 307 2HA GLY 46 2HA GLY 46 -17.406 -16.629 14.124 308 H LYS 47 H LYS 47 -17.542 -19.520 12.022 309 HA LYS 47 HA LYS 47 -15.647 -20.965 13.737 310 1HB LYS 47 1HB LYS 47 -18.547 -21.920 13.409 311 2HB LYS 47 2HB LYS 47 -17.232 -22.813 14.202 312 1HG LYS 47 1HG LYS 47 -17.015 -20.772 15.771 313 2HG LYS 47 2HG LYS 47 -18.579 -20.241 15.121 314 1HD LYS 47 1HD LYS 47 -19.433 -21.422 16.828 315 2HD LYS 47 2HD LYS 47 -19.146 -22.818 15.765 316 1HE LYS 47 1HE LYS 47 -16.646 -22.455 16.929 317 2HE LYS 47 2HE LYS 47 -17.693 -21.886 18.232 318 1HZ LYS 47 1HZ LYS 47 -17.286 -24.304 18.363 319 2HZ LYS 47 2HZ LYS 47 -18.887 -24.000 18.089 320 3HZ LYS 47 3HZ LYS 47 -17.923 -24.501 16.857 321 H LEU 48 H LEU 48 -15.168 -23.096 12.887 322 HA LEU 48 HA LEU 48 -15.604 -23.223 9.953 323 1HB LEU 48 1HB LEU 48 -12.932 -23.841 11.256 324 2HB LEU 48 2HB LEU 48 -13.382 -23.682 9.573 325 HG LEU 48 HG LEU 48 -14.038 -21.170 10.590 326 1HD1 LEU 48 1HD1 LEU 48 -12.098 -20.396 11.764 327 2HD1 LEU 48 2HD1 LEU 48 -12.650 -21.864 12.605 328 3HD1 LEU 48 3HD1 LEU 48 -11.250 -21.944 11.511 329 1HD2 LEU 48 1HD2 LEU 48 -12.286 -20.338 9.176 330 2HD2 LEU 48 2HD2 LEU 48 -11.516 -21.957 9.091 331 3HD2 LEU 48 3HD2 LEU 48 -13.146 -21.681 8.461 332 HA PRO 49 HA PRO 49 -16.577 -27.394 10.684 333 1HB PRO 49 1HB PRO 49 -15.736 -28.595 8.283 334 2HB PRO 49 2HB PRO 49 -17.254 -27.673 8.542 335 1HG PRO 49 1HG PRO 49 -14.810 -26.865 7.094 336 2HG PRO 49 2HG PRO 49 -16.479 -26.219 6.952 337 1HD PRO 49 1HD PRO 49 -14.307 -25.062 8.332 338 2HD PRO 49 2HD PRO 49 -15.981 -24.507 8.330 339 H LYS 50 H LYS 50 -15.686 -29.486 11.069 340 HA LYS 50 HA LYS 50 -13.142 -29.545 12.313 341 1HB LYS 50 1HB LYS 50 -14.482 -31.153 13.141 342 2HB LYS 50 2HB LYS 50 -15.171 -31.592 11.602 343 1HG LYS 50 1HG LYS 50 -12.236 -32.170 11.996 344 2HG LYS 50 2HG LYS 50 -13.336 -33.148 12.924 345 1HD LYS 50 1HD LYS 50 -14.125 -34.310 11.089 346 2HD LYS 50 2HD LYS 50 -14.203 -32.897 10.078 347 1HE LYS 50 1HE LYS 50 -12.523 -34.025 9.002 348 2HE LYS 50 2HE LYS 50 -11.609 -32.925 10.017 349 1HZ LYS 50 1HZ LYS 50 -10.740 -34.669 11.121 350 2HZ LYS 50 2HZ LYS 50 -12.224 -35.314 11.414 351 3HZ LYS 50 3HZ LYS 50 -11.437 -35.679 10.017 352 H GLY 51 H GLY 51 -11.523 -28.827 11.124 353 1HA GLY 51 1HA GLY 51 -9.477 -29.686 9.873 354 2HA GLY 51 2HA GLY 51 -10.602 -30.531 8.790 355 H ARG 52 H ARG 52 -10.171 -27.186 10.040 356 HA ARG 52 HA ARG 52 -10.136 -26.254 7.219 357 1HB ARG 52 1HB ARG 52 -12.395 -25.945 8.545 358 2HB ARG 52 2HB ARG 52 -11.482 -24.698 9.398 359 1HG ARG 52 1HG ARG 52 -12.514 -23.534 7.606 360 2HG ARG 52 2HG ARG 52 -10.915 -23.765 6.968 361 1HD ARG 52 1HD ARG 52 -13.092 -25.820 6.474 362 2HD ARG 52 2HD ARG 52 -13.112 -24.327 5.600 363 HE ARG 52 HE ARG 52 -10.532 -25.593 5.446 364 1HH1 ARG 52 2HH2 ARG 52 -13.683 -25.435 4.030 365 2HH1 ARG 52 1HH2 ARG 52 -13.160 -26.036 2.480 366 1HH2 ARG 52 2HH1 ARG 52 -9.851 -26.363 3.507 367 2HH2 ARG 52 1HH1 ARG 52 -10.988 -26.569 2.212 368 H THR 53 H THR 53 -8.986 -24.352 6.874 369 HA THR 53 HA THR 53 -7.492 -23.194 9.111 370 HB THR 53 HB THR 53 -6.235 -24.904 7.014 371 HG1 THR 53 HG1 THR 53 -6.052 -24.424 9.777 372 1HG2 THR 53 1HG2 THR 53 -5.037 -22.609 6.980 373 2HG2 THR 53 2HG2 THR 53 -4.737 -22.858 8.715 374 3HG2 THR 53 3HG2 THR 53 -4.085 -23.997 7.495 375 HA PRO 54 HA PRO 54 -8.602 -19.993 6.125 376 1HB PRO 54 1HB PRO 54 -8.507 -17.907 8.010 377 2HB PRO 54 2HB PRO 54 -9.945 -18.912 7.653 378 1HG PRO 54 1HG PRO 54 -8.199 -18.950 10.024 379 2HG PRO 54 2HG PRO 54 -9.876 -19.568 9.812 380 1HD PRO 54 1HD PRO 54 -7.423 -21.046 9.790 381 2HD PRO 54 2HD PRO 54 -9.082 -21.658 9.489 382 H ILE 55 H ILE 55 -7.482 -18.283 5.244 383 HA ILE 55 HA ILE 55 -4.630 -18.604 5.183 384 HB ILE 55 HB ILE 55 -6.257 -16.266 4.078 385 1HG1 ILE 55 1HG1 ILE 55 -5.654 -19.069 2.965 386 2HG1 ILE 55 2HG1 ILE 55 -7.227 -18.289 3.193 387 1HG2 ILE 55 1HG2 ILE 55 -3.513 -17.453 3.404 388 2HG2 ILE 55 2HG2 ILE 55 -4.313 -16.139 2.549 389 3HG2 ILE 55 3HG2 ILE 55 -3.833 -15.875 4.205 390 1HD1 ILE 55 1HD1 ILE 55 -6.777 -18.235 0.866 391 2HD1 ILE 55 2HD1 ILE 55 -6.664 -16.621 1.587 392 3HD1 ILE 55 3HD1 ILE 55 -5.176 -17.534 1.123 393 H LYS 56 H LYS 56 -3.152 -17.799 6.457 394 HA LYS 56 HA LYS 56 -3.958 -15.905 8.593 395 1HB LYS 56 1HB LYS 56 -2.650 -17.783 9.252 396 2HB LYS 56 2HB LYS 56 -1.407 -17.473 8.050 397 1HG LYS 56 1HG LYS 56 -2.072 -15.310 10.096 398 2HG LYS 56 2HG LYS 56 -1.167 -16.721 10.613 399 1HD LYS 56 1HD LYS 56 0.185 -16.018 8.259 400 2HD LYS 56 2HD LYS 56 -0.313 -14.453 8.852 401 1HE LYS 56 1HE LYS 56 0.801 -16.306 10.919 402 2HE LYS 56 2HE LYS 56 1.911 -15.919 9.595 403 1HZ LYS 56 1HZ LYS 56 2.257 -14.199 11.115 404 2HZ LYS 56 2HZ LYS 56 1.192 -13.518 10.062 405 3HZ LYS 56 3HZ LYS 56 0.669 -14.079 11.521 406 H PHE 57 H PHE 57 -3.582 -13.887 8.583 407 HA PHE 57 HA PHE 57 -1.893 -12.569 6.454 408 1HB PHE 57 1HB PHE 57 -4.118 -11.326 8.077 409 2HB PHE 57 2HB PHE 57 -3.383 -10.726 6.594 410 HD1 PHE 57 HD1 PHE 57 -5.878 -13.021 8.082 411 HD2 PHE 57 HD2 PHE 57 -3.918 -11.834 4.424 412 HE1 PHE 57 HE1 PHE 57 -7.654 -14.115 6.790 413 HE2 PHE 57 HE2 PHE 57 -5.831 -12.936 3.126 414 HZ PHE 57 HZ PHE 57 -7.577 -14.109 4.303 415 H GLY 58 H GLY 58 -2.668 -12.600 9.896 416 1HA GLY 58 1HA GLY 58 -0.926 -12.198 11.594 417 2HA GLY 58 2HA GLY 58 -0.179 -11.021 10.481 418 H LYS 59 H LYS 59 -3.447 -10.553 10.158 419 HA LYS 59 HA LYS 59 -3.417 -8.332 12.160 420 1HB LYS 59 1HB LYS 59 -4.777 -8.794 9.455 421 2HB LYS 59 2HB LYS 59 -5.494 -7.676 10.597 422 1HG LYS 59 1HG LYS 59 -2.508 -7.468 9.995 423 2HG LYS 59 2HG LYS 59 -3.669 -6.874 8.812 424 1HD LYS 59 1HD LYS 59 -3.391 -4.941 10.026 425 2HD LYS 59 2HD LYS 59 -4.734 -5.615 10.881 426 1HE LYS 59 1HE LYS 59 -2.243 -6.668 11.984 427 2HE LYS 59 2HE LYS 59 -2.164 -4.907 11.894 428 1HZ LYS 59 1HZ LYS 59 -4.489 -6.291 13.100 429 2HZ LYS 59 2HZ LYS 59 -3.170 -5.769 14.006 430 3HZ LYS 59 3HZ LYS 59 -4.159 -4.738 13.180 431 H SER 60 H SER 60 -4.778 -8.228 13.762 432 HA SER 60 HA SER 60 -6.189 -10.623 14.506 433 1HB SER 60 1HB SER 60 -5.296 -8.337 15.816 434 2HB SER 60 2HB SER 60 -7.054 -8.116 15.815 435 HG SER 60 HG SER 60 -5.756 -10.512 16.662 436 H ASP 61 H ASP 61 -7.013 -8.021 12.395 437 HA ASP 61 HA ASP 61 -9.913 -8.250 12.715 438 1HB ASP 61 1HB ASP 61 -8.761 -6.855 10.352 439 2HB ASP 61 2HB ASP 61 -10.079 -6.401 11.418 440 H CYS 62 H CYS 62 -7.405 -9.010 10.309 441 HA CYS 62 HA CYS 62 -9.270 -10.460 8.546 442 1HB CYS 62 1HB CYS 62 -6.224 -10.254 8.479 443 2HB CYS 62 2HB CYS 62 -7.300 -10.960 7.266 444 H ASP 63 H ASP 63 -7.731 -11.149 11.420 445 HA ASP 63 HA ASP 63 -7.490 -14.093 10.953 446 1HB ASP 63 1HB ASP 63 -5.652 -13.071 12.137 447 2HB ASP 63 2HB ASP 63 -6.774 -12.270 13.263 448 H ARG 64 H ARG 64 -9.292 -11.635 12.873 449 HA ARG 64 HA ARG 64 -10.674 -13.376 14.452 450 1HB ARG 64 1HB ARG 64 -11.656 -11.463 15.137 451 2HB ARG 64 2HB ARG 64 -10.826 -10.650 13.829 452 1HG ARG 64 1HG ARG 64 -12.654 -10.953 12.277 453 2HG ARG 64 2HG ARG 64 -13.595 -11.734 13.577 454 1HD ARG 64 1HD ARG 64 -14.100 -9.365 13.115 455 2HD ARG 64 2HD ARG 64 -13.918 -9.964 14.799 456 HE ARG 64 HE ARG 64 -11.540 -8.838 13.538 457 1HH1 ARG 64 2HH2 ARG 64 -14.229 -8.212 15.562 458 2HH1 ARG 64 1HH2 ARG 64 -13.526 -6.803 16.332 459 1HH2 ARG 64 2HH1 ARG 64 -10.625 -7.013 14.459 460 2HH2 ARG 64 1HH1 ARG 64 -11.488 -6.120 15.668 461 HA PRO 65 HA PRO 65 -13.484 -15.453 11.937 462 1HB PRO 65 1HB PRO 65 -15.659 -15.653 13.601 463 2HB PRO 65 2HB PRO 65 -14.194 -16.726 13.627 464 1HG PRO 65 1HG PRO 65 -15.077 -14.652 15.521 465 2HG PRO 65 2HG PRO 65 -13.885 -15.996 15.741 466 1HD PRO 65 1HD PRO 65 -13.368 -13.236 15.195 467 2HD PRO 65 2HD PRO 65 -12.177 -14.572 15.330 468 HA PRO 66 HA PRO 66 -16.000 -12.306 10.180 469 1HB PRO 66 1HB PRO 66 -17.041 -13.757 7.999 470 2HB PRO 66 2HB PRO 66 -15.428 -12.963 8.062 471 1HG PRO 66 1HG PRO 66 -16.082 -15.849 8.254 472 2HG PRO 66 2HG PRO 66 -14.542 -15.035 7.789 473 1HD PRO 66 1HD PRO 66 -15.287 -16.117 10.329 474 2HD PRO 66 2HD PRO 66 -13.770 -15.205 9.877 475 H LYS 67 H LYS 67 -18.337 -12.043 9.408 476 HA LYS 67 HA LYS 67 -20.189 -13.845 10.897 477 1HB LYS 67 1HB LYS 67 -19.716 -11.852 12.316 478 2HB LYS 67 2HB LYS 67 -20.110 -10.792 10.984 479 1HG LYS 67 1HG LYS 67 -22.184 -10.766 11.901 480 2HG LYS 67 2HG LYS 67 -22.396 -12.317 11.051 481 1HD LYS 67 1HD LYS 67 -21.253 -13.156 13.355 482 2HD LYS 67 2HD LYS 67 -22.092 -11.676 13.917 483 1HE LYS 67 1HE LYS 67 -24.216 -12.501 13.248 484 2HE LYS 67 2HE LYS 67 -23.527 -13.701 12.159 485 1HZ LYS 67 1HZ LYS 67 -22.634 -14.081 14.842 486 2HZ LYS 67 2HZ LYS 67 -24.273 -14.212 14.722 487 3HZ LYS 67 3HZ LYS 67 -23.312 -15.169 13.803 488 H HIS 68 H HIS 68 -21.518 -14.634 9.506 489 HA HIS 68 HA HIS 68 -22.229 -13.145 7.025 490 1HB HIS 68 1HB HIS 68 -21.106 -15.364 6.775 491 2HB HIS 68 2HB HIS 68 -22.531 -16.093 7.576 492 HD1 HIS 68 HD1 HIS 68 -23.947 -17.151 5.844 493 HD2 HIS 68 HD2 HIS 68 -22.129 -13.567 4.538 494 HE1 HIS 68 HE1 HIS 68 -24.788 -16.698 3.394 495 HE2 HIS 68 HE2 HIS 68 -23.489 -14.456 2.673 496 H SER 69 H SER 69 -24.446 -13.432 6.323 497 HA SER 69 HA SER 69 -26.516 -14.139 8.302 498 1HB SER 69 1HB SER 69 -25.621 -11.453 8.049 499 2HB SER 69 2HB SER 69 -27.232 -11.543 7.317 500 HG SER 69 HG SER 69 -27.384 -12.903 9.531 501 H LYS 70 H LYS 70 -28.710 -13.408 7.264 502 HA LYS 70 HA LYS 70 -28.755 -14.655 4.565 503 1HB LYS 70 1HB LYS 70 -30.490 -14.809 6.896 504 2HB LYS 70 2HB LYS 70 -31.419 -14.154 5.577 505 1HG LYS 70 1HG LYS 70 -31.703 -16.376 5.121 506 2HG LYS 70 2HG LYS 70 -30.263 -16.075 4.145 507 1HD LYS 70 1HD LYS 70 -28.879 -16.773 6.204 508 2HD LYS 70 2HD LYS 70 -30.398 -17.286 6.944 509 1HE LYS 70 1HE LYS 70 -29.832 -18.255 4.149 510 2HE LYS 70 2HE LYS 70 -28.772 -18.878 5.419 511 1HZ LYS 70 1HZ LYS 70 -30.405 -20.339 5.832 512 2HZ LYS 70 2HZ LYS 70 -31.264 -19.110 6.488 513 3HZ LYS 70 3HZ LYS 70 -31.525 -19.532 4.925 514 H ASP 71 H ASP 71 -27.547 -12.370 4.395 515 HA ASP 71 HA ASP 71 -29.256 -10.883 2.569 516 1HB ASP 71 1HB ASP 71 -29.361 -10.076 5.311 517 2HB ASP 71 2HB ASP 71 -28.337 -8.900 4.541 518 H GLY 72 H GLY 72 -26.660 -12.313 2.662 519 1HA GLY 72 1HA GLY 72 -24.590 -12.083 1.692 520 2HA GLY 72 2HA GLY 72 -25.010 -10.422 1.248 521 H ASN 73 H ASN 73 -25.305 -9.070 3.403 522 HA ASN 73 HA ASN 73 -22.841 -9.324 5.123 523 1HB ASN 73 1HB ASN 73 -22.634 -7.407 3.579 524 2HB ASN 73 2HB ASN 73 -24.274 -6.925 3.965 525 1HD2 ASN 73 1HD2 ASN 73 -24.165 -5.015 5.036 526 2HD2 ASN 73 2HD2 ASN 73 -23.211 -4.968 6.518 527 H GLY 74 H GLY 74 -25.305 -6.948 5.674 528 1HA GLY 74 1HA GLY 74 -27.312 -7.499 7.173 529 2HA GLY 74 2HA GLY 74 -26.136 -8.467 8.132 530 H LYS 75 H LYS 75 -26.639 -7.121 9.857 531 HA LYS 75 HA LYS 75 -26.395 -4.290 10.026 532 1HB LYS 75 1HB LYS 75 -26.095 -6.581 12.010 533 2HB LYS 75 2HB LYS 75 -25.524 -5.003 12.521 534 1HG LYS 75 1HG LYS 75 -28.028 -4.400 11.417 535 2HG LYS 75 2HG LYS 75 -28.282 -5.964 12.216 536 1HD LYS 75 1HD LYS 75 -27.245 -4.984 14.298 537 2HD LYS 75 2HD LYS 75 -27.025 -3.453 13.437 538 1HE LYS 75 1HE LYS 75 -29.036 -2.873 14.251 539 2HE LYS 75 2HE LYS 75 -29.673 -3.871 12.936 540 1HZ LYS 75 1HZ LYS 75 -30.092 -4.270 15.629 541 2HZ LYS 75 2HZ LYS 75 -30.426 -5.363 14.436 542 3HZ LYS 75 3HZ LYS 75 -28.999 -5.427 15.235 543 H THR 76 H THR 76 -23.853 -6.051 11.608 544 HA THR 76 HA THR 76 -21.880 -4.298 10.173 545 HB THR 76 HB THR 76 -22.420 -4.107 12.805 546 HG1 THR 76 HG1 THR 76 -20.313 -3.121 12.794 547 1HG2 THR 76 1HG2 THR 76 -21.278 -6.474 13.098 548 2HG2 THR 76 2HG2 THR 76 -19.782 -5.538 12.888 549 3HG2 THR 76 3HG2 THR 76 -20.868 -5.157 14.220 550 H ASP 77 H ASP 77 -22.961 -7.219 9.812 551 HA ASP 77 HA ASP 77 -21.406 -9.289 10.356 552 1HB ASP 77 1HB ASP 77 -23.056 -8.427 8.112 553 2HB ASP 77 2HB ASP 77 -21.739 -9.485 7.579 554 H HIS 78 H HIS 78 -19.243 -9.151 10.670 555 HA HIS 78 HA HIS 78 -17.594 -7.580 8.742 556 1HB HIS 78 1HB HIS 78 -15.763 -8.083 10.378 557 2HB HIS 78 2HB HIS 78 -17.051 -7.024 10.936 558 HD1 HIS 78 HD1 HIS 78 -15.395 -10.251 11.692 559 HD2 HIS 78 HD2 HIS 78 -18.957 -8.217 12.615 560 HE1 HIS 78 HE1 HIS 78 -16.268 -11.310 13.913 561 HE2 HIS 78 HE2 HIS 78 -18.518 -10.144 14.407 562 H TYR 79 H TYR 79 -18.278 -9.118 7.079 563 HA TYR 79 HA TYR 79 -16.898 -11.721 7.150 564 1HB TYR 79 1HB TYR 79 -18.237 -12.320 5.307 565 2HB TYR 79 2HB TYR 79 -19.232 -11.616 6.521 566 HD1 TYR 79 HD1 TYR 79 -17.993 -11.240 3.090 567 HD2 TYR 79 HD2 TYR 79 -20.128 -9.334 6.270 568 HE1 TYR 79 HE1 TYR 79 -18.891 -9.535 1.510 569 HE2 TYR 79 HE2 TYR 79 -20.709 -7.482 4.761 570 HH TYR 79 HH TYR 79 -19.750 -6.666 2.315 571 H LEU 80 H LEU 80 -15.204 -12.258 5.830 572 HA LEU 80 HA LEU 80 -13.754 -10.000 4.624 573 1HB LEU 80 1HB LEU 80 -13.271 -12.980 5.006 574 2HB LEU 80 2HB LEU 80 -12.309 -12.091 3.856 575 HG LEU 80 HG LEU 80 -12.444 -10.547 6.347 576 1HD1 LEU 80 1HD1 LEU 80 -12.599 -12.318 7.762 577 2HD1 LEU 80 2HD1 LEU 80 -11.822 -13.474 6.640 578 3HD1 LEU 80 3HD1 LEU 80 -10.858 -12.298 7.544 579 1HD2 LEU 80 1HD2 LEU 80 -9.918 -10.914 6.139 580 2HD2 LEU 80 2HD2 LEU 80 -10.264 -11.863 4.731 581 3HD2 LEU 80 3HD2 LEU 80 -10.733 -10.137 4.767 582 H LEU 81 H LEU 81 -13.924 -9.407 2.550 583 HA LEU 81 HA LEU 81 -15.227 -11.334 0.640 584 1HB LEU 81 1HB LEU 81 -16.867 -9.809 0.788 585 2HB LEU 81 2HB LEU 81 -15.839 -8.486 1.314 586 HG LEU 81 HG LEU 81 -15.992 -9.469 -1.547 587 1HD1 LEU 81 1HD1 LEU 81 -17.653 -7.619 -0.004 588 2HD1 LEU 81 2HD1 LEU 81 -17.066 -6.925 -1.488 589 3HD1 LEU 81 3HD1 LEU 81 -17.899 -8.461 -1.587 590 1HD2 LEU 81 1HD2 LEU 81 -15.014 -6.983 -1.771 591 2HD2 LEU 81 2HD2 LEU 81 -14.259 -7.638 -0.255 592 3HD2 LEU 81 3HD2 LEU 81 -14.091 -8.434 -1.801 593 H GLU 82 H GLU 82 -14.319 -11.650 -1.264 594 HA GLU 82 HA GLU 82 -11.660 -10.403 -1.664 595 1HB GLU 82 1HB GLU 82 -11.052 -12.247 -2.964 596 2HB GLU 82 2HB GLU 82 -11.790 -12.894 -1.493 597 1HG GLU 82 1HG GLU 82 -13.459 -12.541 -3.950 598 2HG GLU 82 2HG GLU 82 -12.327 -13.807 -3.889 599 H PHE 83 H PHE 83 -10.992 -9.904 -3.833 600 HA PHE 83 HA PHE 83 -13.169 -9.465 -5.789 601 1HB PHE 83 1HB PHE 83 -13.111 -7.487 -4.248 602 2HB PHE 83 2HB PHE 83 -11.469 -7.221 -4.711 603 HD1 PHE 83 HD1 PHE 83 -10.842 -6.822 -7.219 604 HD2 PHE 83 HD2 PHE 83 -14.705 -6.304 -5.494 605 HE1 PHE 83 HE1 PHE 83 -11.622 -5.655 -9.255 606 HE2 PHE 83 HE2 PHE 83 -15.425 -4.935 -7.467 607 HZ PHE 83 HZ PHE 83 -13.777 -4.549 -9.241 608 HA PRO 84 HA PRO 84 -9.665 -10.271 -8.496 609 1HB PRO 84 1HB PRO 84 -10.829 -9.630 -10.922 610 2HB PRO 84 2HB PRO 84 -11.029 -11.170 -10.027 611 1HG PRO 84 1HG PRO 84 -12.953 -8.921 -10.328 612 2HG PRO 84 2HG PRO 84 -13.245 -10.653 -9.953 613 1HD PRO 84 1HD PRO 84 -13.235 -8.458 -8.172 614 2HD PRO 84 2HD PRO 84 -13.309 -10.192 -7.747 615 H THR 85 H THR 85 -8.117 -8.853 -7.919 616 HA THR 85 HA THR 85 -8.329 -6.100 -9.027 617 HB THR 85 HB THR 85 -8.073 -6.249 -6.626 618 HG1 THR 85 HG1 THR 85 -5.837 -5.260 -8.026 619 1HG2 THR 85 1HG2 THR 85 -6.360 -7.305 -5.515 620 2HG2 THR 85 2HG2 THR 85 -6.203 -8.282 -6.961 621 3HG2 THR 85 3HG2 THR 85 -5.164 -6.866 -6.760 622 H PHE 86 H PHE 86 -7.534 -6.032 -10.983 623 HA PHE 86 HA PHE 86 -5.295 -7.768 -11.764 624 1HB PHE 86 1HB PHE 86 -6.608 -5.507 -13.306 625 2HB PHE 86 2HB PHE 86 -5.654 -6.819 -13.986 626 HD1 PHE 86 HD1 PHE 86 -8.903 -5.937 -12.451 627 HD2 PHE 86 HD2 PHE 86 -6.524 -9.064 -14.308 628 HE1 PHE 86 HE1 PHE 86 -10.892 -7.395 -12.632 629 HE2 PHE 86 HE2 PHE 86 -8.594 -10.439 -14.604 630 HZ PHE 86 HZ PHE 86 -10.715 -9.603 -13.743 631 HA PRO 87 HA PRO 87 -2.077 -4.792 -11.157 632 1HB PRO 87 1HB PRO 87 -0.383 -5.340 -13.338 633 2HB PRO 87 2HB PRO 87 -0.460 -6.175 -11.804 634 1HG PRO 87 1HG PRO 87 -1.463 -7.050 -14.465 635 2HG PRO 87 2HG PRO 87 -1.094 -8.068 -13.024 636 1HD PRO 87 1HD PRO 87 -3.612 -7.182 -13.994 637 2HD PRO 87 2HD PRO 87 -3.297 -8.118 -12.500 638 H ASP 88 H ASP 88 -3.201 -5.058 -14.536 639 HA ASP 88 HA ASP 88 -2.390 -2.744 -15.765 640 1HB ASP 88 1HB ASP 88 -4.977 -4.269 -15.773 641 2HB ASP 88 2HB ASP 88 -5.008 -2.665 -16.482 642 H GLY 89 H GLY 89 -4.584 -3.018 -13.077 643 1HA GLY 89 1HA GLY 89 -5.287 -1.425 -11.582 644 2HA GLY 89 2HA GLY 89 -4.397 -0.179 -12.536 645 H HIS 90 H HIS 90 -6.550 -2.178 -14.195 646 HA HIS 90 HA HIS 90 -8.299 0.148 -14.744 647 1HB HIS 90 1HB HIS 90 -9.157 -1.121 -16.602 648 2HB HIS 90 2HB HIS 90 -7.403 -1.202 -16.603 649 HD1 HIS 90 HD1 HIS 90 -6.924 -3.486 -17.764 650 HD2 HIS 90 HD2 HIS 90 -9.857 -3.683 -14.716 651 HE1 HIS 90 HE1 HIS 90 -7.519 -5.962 -17.436 652 HE2 HIS 90 HE2 HIS 90 -9.247 -6.063 -15.533 653 H ASP 91 H ASP 91 -10.635 -0.162 -14.724 654 HA ASP 91 HA ASP 91 -11.550 -1.676 -12.309 655 1HB ASP 91 1HB ASP 91 -11.896 0.839 -12.540 656 2HB ASP 91 2HB ASP 91 -12.973 0.488 -13.895 657 H TYR 92 H TYR 92 -11.585 -3.685 -13.295 658 HA TYR 92 HA TYR 92 -12.720 -4.486 -15.698 659 1HB TYR 92 1HB TYR 92 -11.917 -5.677 -13.280 660 2HB TYR 92 2HB TYR 92 -13.595 -6.137 -13.393 661 HD1 TYR 92 HD1 TYR 92 -11.180 -5.712 -16.264 662 HD2 TYR 92 HD2 TYR 92 -13.483 -8.460 -13.819 663 HE1 TYR 92 HE1 TYR 92 -10.354 -7.596 -17.609 664 HE2 TYR 92 HE2 TYR 92 -12.810 -10.279 -15.349 665 HH TYR 92 HH TYR 92 -10.174 -10.272 -17.326 666 H LYS 93 H LYS 93 -14.750 -5.625 -16.117 667 HA LYS 93 HA LYS 93 -16.970 -3.884 -15.252 668 1HB LYS 93 1HB LYS 93 -18.182 -5.154 -17.013 669 2HB LYS 93 2HB LYS 93 -16.924 -4.026 -17.542 670 1HG LYS 93 1HG LYS 93 -15.491 -5.698 -18.260 671 2HG LYS 93 2HG LYS 93 -16.102 -6.908 -17.119 672 1HD LYS 93 1HD LYS 93 -16.621 -7.298 -19.562 673 2HD LYS 93 2HD LYS 93 -17.945 -7.435 -18.393 674 1HE LYS 93 1HE LYS 93 -17.574 -4.710 -19.513 675 2HE LYS 93 2HE LYS 93 -17.991 -5.916 -20.738 676 1HZ LYS 93 1HZ LYS 93 -19.667 -4.747 -18.798 677 2HZ LYS 93 2HZ LYS 93 -20.091 -5.858 -19.972 678 3HZ LYS 93 3HZ LYS 93 -19.609 -6.365 -18.517 679 H PHE 94 H PHE 94 -16.440 -4.946 -13.139 680 HA PHE 94 HA PHE 94 -17.617 -7.600 -12.682 681 1HB PHE 94 1HB PHE 94 -17.126 -7.126 -10.359 682 2HB PHE 94 2HB PHE 94 -15.716 -6.999 -11.369 683 HD1 PHE 94 HD1 PHE 94 -18.244 -5.023 -9.405 684 HD2 PHE 94 HD2 PHE 94 -14.616 -4.873 -11.744 685 HE1 PHE 94 HE1 PHE 94 -17.845 -2.676 -8.685 686 HE2 PHE 94 HE2 PHE 94 -14.222 -2.591 -11.009 687 HZ PHE 94 HZ PHE 94 -15.771 -1.465 -9.444 688 H ASP 95 H ASP 95 -18.758 -4.386 -12.913 689 HA ASP 95 HA ASP 95 -21.160 -4.843 -11.232 690 1HB ASP 95 1HB ASP 95 -19.644 -2.616 -11.707 691 2HB ASP 95 2HB ASP 95 -20.844 -2.434 -12.978 692 H SER 96 H SER 96 -20.133 -4.982 -14.517 693 HA SER 96 HA SER 96 -22.895 -4.837 -15.633 694 1HB SER 96 1HB SER 96 -20.161 -4.728 -16.718 695 2HB SER 96 2HB SER 96 -21.377 -5.634 -17.687 696 HG SER 96 HG SER 96 -21.904 -3.658 -18.341 697 H LYS 97 H LYS 97 -24.013 -6.545 -15.190 698 HA LYS 97 HA LYS 97 -23.041 -9.231 -14.876 699 1HB LYS 97 1HB LYS 97 -25.227 -9.875 -14.605 700 2HB LYS 97 2HB LYS 97 -25.370 -8.148 -14.264 701 1HG LYS 97 1HG LYS 97 -26.110 -7.776 -16.654 702 2HG LYS 97 2HG LYS 97 -25.980 -9.548 -16.889 703 1HD LYS 97 1HD LYS 97 -28.154 -9.413 -16.613 704 2HD LYS 97 2HD LYS 97 -27.568 -9.811 -14.975 705 1HE LYS 97 1HE LYS 97 -27.496 -7.197 -14.660 706 2HE LYS 97 2HE LYS 97 -28.509 -7.138 -16.113 707 1HZ LYS 97 1HZ LYS 97 -29.307 -7.703 -13.492 708 2HZ LYS 97 2HZ LYS 97 -30.257 -7.690 -14.841 709 3HZ LYS 97 3HZ LYS 97 -29.517 -9.080 -14.360 710 H LYS 98 H LYS 98 -24.372 -7.693 -17.714 711 HA LYS 98 HA LYS 98 -22.928 -9.658 -19.262 712 1HB LYS 98 1HB LYS 98 -25.709 -9.862 -18.994 713 2HB LYS 98 2HB LYS 98 -25.442 -9.259 -20.637 714 1HG LYS 98 1HG LYS 98 -23.870 -11.100 -21.072 715 2HG LYS 98 2HG LYS 98 -23.956 -11.632 -19.393 716 1HD LYS 98 1HD LYS 98 -26.649 -11.458 -20.548 717 2HD LYS 98 2HD LYS 98 -25.575 -12.394 -21.595 718 1HE LYS 98 1HE LYS 98 -24.848 -13.608 -19.398 719 2HE LYS 98 2HE LYS 98 -26.300 -12.894 -18.679 720 1HZ LYS 98 1HZ LYS 98 -26.332 -14.518 -21.165 721 2HZ LYS 98 2HZ LYS 98 -26.611 -15.158 -19.677 722 3HZ LYS 98 3HZ LYS 98 -27.636 -14.033 -20.308 723 HA PRO 99 HA PRO 99 -22.024 -9.924 -21.068 724 1HB PRO 99 1HB PRO 99 -19.581 -9.239 -22.062 725 2HB PRO 99 2HB PRO 99 -21.089 -9.547 -22.986 726 1HG PRO 99 1HG PRO 99 -19.749 -6.956 -22.400 727 2HG PRO 99 2HG PRO 99 -20.889 -7.387 -23.725 728 1HD PRO 99 1HD PRO 99 -21.475 -5.968 -21.285 729 2HD PRO 99 2HD PRO 99 -22.637 -6.483 -22.538 730 H LYS 100 H LYS 100 -19.795 -10.792 -20.270 731 HA LYS 100 HA LYS 100 -18.833 -9.345 -17.860 732 1HB LYS 100 1HB LYS 100 -19.236 -11.032 -16.388 733 2HB LYS 100 2HB LYS 100 -20.666 -11.067 -17.363 734 1HG LYS 100 1HG LYS 100 -20.429 -13.170 -17.870 735 2HG LYS 100 2HG LYS 100 -18.980 -12.909 -18.721 736 1HD LYS 100 1HD LYS 100 -17.872 -14.131 -17.200 737 2HD LYS 100 2HD LYS 100 -17.971 -12.761 -16.123 738 1HE LYS 100 1HE LYS 100 -18.781 -14.814 -15.048 739 2HE LYS 100 2HE LYS 100 -20.040 -13.568 -15.116 740 1HZ LYS 100 1HZ LYS 100 -20.577 -16.001 -15.894 741 2HZ LYS 100 2HZ LYS 100 -21.171 -14.711 -16.731 742 3HZ LYS 100 3HZ LYS 100 -19.857 -15.509 -17.303 743 H GLU 101 H GLU 101 -16.729 -9.815 -17.320 744 HA GLU 101 HA GLU 101 -15.194 -11.138 -19.532 745 1HB GLU 101 1HB GLU 101 -14.896 -8.621 -18.396 746 2HB GLU 101 2HB GLU 101 -13.805 -9.606 -17.482 747 1HG GLU 101 1HG GLU 101 -12.446 -10.100 -19.412 748 2HG GLU 101 2HG GLU 101 -13.775 -9.950 -20.481 749 H ASN 102 H ASN 102 -12.983 -11.943 -18.594 750 HA ASN 102 HA ASN 102 -13.774 -14.179 -16.880 751 1HB ASN 102 1HB ASN 102 -11.696 -13.720 -18.895 752 2HB ASN 102 2HB ASN 102 -11.049 -14.437 -17.417 753 1HD2 ASN 102 1HD2 ASN 102 -11.011 -16.553 -17.453 754 2HD2 ASN 102 2HD2 ASN 102 -12.223 -17.578 -18.261 755 HA PRO 103 HA PRO 103 -11.907 -12.069 -13.384 756 1HB PRO 103 1HB PRO 103 -12.187 -14.148 -11.514 757 2HB PRO 103 2HB PRO 103 -13.390 -12.934 -12.031 758 1HG PRO 103 1HG PRO 103 -13.137 -15.854 -12.737 759 2HG PRO 103 2HG PRO 103 -14.619 -14.844 -12.724 760 1HD PRO 103 1HD PRO 103 -13.035 -15.555 -14.971 761 2HD PRO 103 2HD PRO 103 -14.451 -14.443 -14.899 762 H GLY 104 H GLY 104 -10.389 -13.318 -11.443 763 1HA GLY 104 1HA GLY 104 -8.201 -14.714 -12.813 764 2HA GLY 104 2HA GLY 104 -7.803 -13.144 -12.044 765 HA PRO 105 HA PRO 105 -7.686 -16.676 -8.939 766 1HB PRO 105 1HB PRO 105 -4.906 -16.877 -8.681 767 2HB PRO 105 2HB PRO 105 -5.939 -17.905 -9.718 768 1HG PRO 105 1HG PRO 105 -4.077 -15.713 -10.516 769 2HG PRO 105 2HG PRO 105 -4.733 -17.076 -11.489 770 1HD PRO 105 1HD PRO 105 -5.599 -14.340 -11.472 771 2HD PRO 105 2HD PRO 105 -6.330 -15.722 -12.348 772 H ALA 106 H ALA 106 -5.114 -14.151 -9.116 773 HA ALA 106 HA ALA 106 -5.004 -13.666 -6.332 774 1HB ALA 106 1HB ALA 106 -4.492 -11.557 -8.338 775 2HB ALA 106 2HB ALA 106 -3.568 -12.024 -6.926 776 3HB ALA 106 3HB ALA 106 -3.479 -13.078 -8.295 777 H ARG 107 H ARG 107 -6.165 -12.388 -5.043 778 HA ARG 107 HA ARG 107 -7.984 -10.364 -6.087 779 1HB ARG 107 1HB ARG 107 -8.914 -12.921 -4.606 780 2HB ARG 107 2HB ARG 107 -9.840 -11.412 -4.614 781 1HG ARG 107 1HG ARG 107 -9.382 -11.683 -7.253 782 2HG ARG 107 2HG ARG 107 -9.331 -13.357 -6.869 783 1HD ARG 107 1HD ARG 107 -11.617 -11.801 -5.716 784 2HD ARG 107 2HD ARG 107 -11.547 -11.818 -7.465 785 HE ARG 107 HE ARG 107 -12.011 -14.115 -5.746 786 1HH1 ARG 107 2HH2 ARG 107 -11.028 -13.003 -8.873 787 2HH1 ARG 107 1HH2 ARG 107 -11.433 -14.479 -9.663 788 1HH2 ARG 107 2HH1 ARG 107 -12.592 -15.975 -6.849 789 2HH2 ARG 107 1HH1 ARG 107 -12.418 -16.016 -8.573 790 H VAL 108 H VAL 108 -8.658 -8.901 -4.573 791 HA VAL 108 HA VAL 108 -6.864 -8.692 -2.195 792 HB VAL 108 HB VAL 108 -7.149 -6.716 -3.496 793 1HG1 VAL 108 1HG1 VAL 108 -9.161 -6.947 -4.683 794 2HG1 VAL 108 2HG1 VAL 108 -10.115 -7.091 -3.194 795 3HG1 VAL 108 3HG1 VAL 108 -9.438 -5.553 -3.635 796 1HG2 VAL 108 1HG2 VAL 108 -8.112 -6.756 -0.663 797 2HG2 VAL 108 2HG2 VAL 108 -6.848 -5.841 -1.475 798 3HG2 VAL 108 3HG2 VAL 108 -8.538 -5.324 -1.585 799 H ILE 109 H ILE 109 -7.384 -9.588 -0.317 800 HA ILE 109 HA ILE 109 -10.277 -10.066 0.319 801 HB ILE 109 HB ILE 109 -7.721 -11.482 1.028 802 1HG1 ILE 109 1HG1 ILE 109 -9.108 -13.471 0.305 803 2HG1 ILE 109 2HG1 ILE 109 -10.434 -12.348 -0.049 804 1HG2 ILE 109 1HG2 ILE 109 -10.406 -11.671 2.405 805 2HG2 ILE 109 2HG2 ILE 109 -9.060 -12.837 2.612 806 3HG2 ILE 109 3HG2 ILE 109 -8.846 -11.187 3.130 807 1HD1 ILE 109 1HD1 ILE 109 -7.693 -12.025 -1.249 808 2HD1 ILE 109 2HD1 ILE 109 -8.872 -13.127 -2.022 809 3HD1 ILE 109 3HD1 ILE 109 -9.253 -11.449 -1.912 810 H TYR 110 H TYR 110 -11.137 -8.623 1.570 811 HA TYR 110 HA TYR 110 -9.508 -7.478 3.800 812 1HB TYR 110 1HB TYR 110 -10.402 -5.312 3.299 813 2HB TYR 110 2HB TYR 110 -9.600 -5.931 1.870 814 HD1 TYR 110 HD1 TYR 110 -10.773 -5.896 -0.224 815 HD2 TYR 110 HD2 TYR 110 -13.050 -5.774 3.398 816 HE1 TYR 110 HE1 TYR 110 -12.901 -5.462 -1.468 817 HE2 TYR 110 HE2 TYR 110 -15.116 -5.393 2.211 818 HH TYR 110 HH TYR 110 -15.111 -4.962 -1.320 819 H THR 111 H THR 111 -10.680 -6.938 5.631 820 HA THR 111 HA THR 111 -13.152 -8.477 5.975 821 HB THR 111 HB THR 111 -12.802 -8.241 8.233 822 HG1 THR 111 HG1 THR 111 -12.707 -5.894 8.235 823 1HG2 THR 111 1HG2 THR 111 -9.951 -7.587 7.408 824 2HG2 THR 111 2HG2 THR 111 -10.553 -8.694 8.664 825 3HG2 THR 111 3HG2 THR 111 -10.695 -9.113 6.973 826 H TYR 112 H TYR 112 -15.097 -7.564 6.908 827 HA TYR 112 HA TYR 112 -15.528 -4.826 5.873 828 1HB TYR 112 1HB TYR 112 -16.842 -6.202 4.704 829 2HB TYR 112 2HB TYR 112 -17.236 -7.240 6.069 830 HD1 TYR 112 HD1 TYR 112 -18.622 -4.936 3.947 831 HD2 TYR 112 HD2 TYR 112 -18.567 -5.892 8.108 832 HE1 TYR 112 HE1 TYR 112 -20.780 -3.638 4.332 833 HE2 TYR 112 HE2 TYR 112 -20.602 -4.730 8.472 834 HH TYR 112 HH TYR 112 -22.129 -3.285 7.639 835 HA PRO 113 HA PRO 113 -17.212 -3.379 6.013 836 1HB PRO 113 1HB PRO 113 -17.379 -0.815 6.947 837 2HB PRO 113 2HB PRO 113 -18.722 -1.996 6.856 838 1HG PRO 113 1HG PRO 113 -17.209 -1.059 9.247 839 2HG PRO 113 2HG PRO 113 -18.851 -1.781 9.145 840 1HD PRO 113 1HD PRO 113 -16.415 -3.111 9.949 841 2HD PRO 113 2HD PRO 113 -17.998 -3.860 9.652 842 H ASN 114 H ASN 114 -15.109 -1.857 8.386 843 HA ASN 114 HA ASN 114 -13.410 -0.364 6.789 844 1HB ASN 114 1HB ASN 114 -13.383 -1.090 9.459 845 2HB ASN 114 2HB ASN 114 -12.051 -2.070 8.897 846 1HD2 ASN 114 1HD2 ASN 114 -12.186 0.348 10.539 847 2HD2 ASN 114 2HD2 ASN 114 -11.029 1.441 9.745 848 H LYS 115 H LYS 115 -12.573 -1.048 4.911 849 HA LYS 115 HA LYS 115 -11.985 -3.759 4.222 850 1HB LYS 115 1HB LYS 115 -11.680 -1.051 2.928 851 2HB LYS 115 2HB LYS 115 -10.694 -2.304 2.232 852 1HG LYS 115 1HG LYS 115 -12.273 -3.380 1.289 853 2HG LYS 115 2HG LYS 115 -13.432 -3.227 2.652 854 1HD LYS 115 1HD LYS 115 -12.896 -1.128 0.559 855 2HD LYS 115 2HD LYS 115 -14.198 -2.327 0.517 856 1HE LYS 115 1HE LYS 115 -15.341 -0.666 1.608 857 2HE LYS 115 2HE LYS 115 -14.694 -1.548 2.998 858 1HZ LYS 115 1HZ LYS 115 -12.933 0.454 1.985 859 2HZ LYS 115 2HZ LYS 115 -14.370 1.108 2.482 860 3HZ LYS 115 3HZ LYS 115 -13.441 0.233 3.530 861 H VAL 116 H VAL 116 -10.767 -3.987 6.227 862 HA VAL 116 HA VAL 116 -8.078 -2.950 6.517 863 HB VAL 116 HB VAL 116 -9.678 -5.163 7.847 864 1HG1 VAL 116 1HG1 VAL 116 -7.790 -6.186 8.417 865 2HG1 VAL 116 2HG1 VAL 116 -6.735 -4.903 7.825 866 3HG1 VAL 116 3HG1 VAL 116 -7.378 -4.820 9.453 867 1HG2 VAL 116 1HG2 VAL 116 -9.688 -2.440 8.292 868 2HG2 VAL 116 2HG2 VAL 116 -10.096 -3.679 9.498 869 3HG2 VAL 116 3HG2 VAL 116 -8.477 -2.962 9.451 870 H PHE 117 H PHE 117 -7.660 -3.379 4.246 871 HA PHE 117 HA PHE 117 -7.372 -5.568 2.750 872 1HB PHE 117 1HB PHE 117 -6.456 -3.376 2.181 873 2HB PHE 117 2HB PHE 117 -5.213 -3.543 3.428 874 HD1 PHE 117 HD1 PHE 117 -5.940 -4.029 -0.021 875 HD2 PHE 117 HD2 PHE 117 -3.510 -5.577 3.235 876 HE1 PHE 117 HE1 PHE 117 -4.444 -5.144 -1.571 877 HE2 PHE 117 HE2 PHE 117 -2.134 -6.746 1.707 878 HZ PHE 117 HZ PHE 117 -2.508 -6.530 -0.746 879 H CYS 118 H CYS 118 -6.901 -7.639 3.232 880 HA CYS 118 HA CYS 118 -5.002 -8.193 5.390 881 1HB CYS 118 1HB CYS 118 -6.523 -10.250 3.788 882 2HB CYS 118 2HB CYS 118 -5.888 -10.288 5.439 883 H GLY 119 H GLY 119 -5.515 -8.863 1.960 884 1HA GLY 119 1HA GLY 119 -3.051 -8.547 0.864 885 2HA GLY 119 2HA GLY 119 -2.888 -10.123 1.624 886 H ILE 120 H ILE 120 -2.518 -10.708 -0.612 887 HA ILE 120 HA ILE 120 -5.049 -11.065 -2.077 888 HB ILE 120 HB ILE 120 -2.251 -10.507 -3.129 889 1HG1 ILE 120 1HG1 ILE 120 -3.732 -8.831 -4.537 890 2HG1 ILE 120 2HG1 ILE 120 -4.970 -9.164 -3.339 891 1HG2 ILE 120 1HG2 ILE 120 -2.752 -11.127 -5.225 892 2HG2 ILE 120 2HG2 ILE 120 -3.551 -12.454 -4.421 893 3HG2 ILE 120 3HG2 ILE 120 -4.520 -11.101 -5.004 894 1HD1 ILE 120 1HD1 ILE 120 -4.058 -7.660 -2.005 895 2HD1 ILE 120 2HD1 ILE 120 -2.536 -8.565 -1.899 896 3HD1 ILE 120 3HD1 ILE 120 -2.714 -7.377 -3.163 897 H ILE 121 H ILE 121 -5.634 -13.069 -2.457 898 HA ILE 121 HA ILE 121 -3.669 -15.181 -1.689 899 HB ILE 121 HB ILE 121 -5.456 -16.499 -1.064 900 1HG1 ILE 121 1HG1 ILE 121 -7.439 -14.551 -2.297 901 2HG1 ILE 121 2HG1 ILE 121 -6.948 -16.025 -3.089 902 1HG2 ILE 121 1HG2 ILE 121 -6.930 -14.866 0.400 903 2HG2 ILE 121 2HG2 ILE 121 -5.212 -15.159 0.675 904 3HG2 ILE 121 3HG2 ILE 121 -5.811 -13.663 -0.088 905 1HD1 ILE 121 1HD1 ILE 121 -7.664 -17.249 -0.965 906 2HD1 ILE 121 2HD1 ILE 121 -8.570 -15.827 -0.533 907 3HD1 ILE 121 3HD1 ILE 121 -8.951 -16.639 -2.054 908 H ALA 122 H ALA 122 -3.627 -17.112 -2.938 909 HA ALA 122 HA ALA 122 -4.931 -17.376 -5.472 910 1HB ALA 122 1HB ALA 122 -3.338 -16.660 -7.059 911 2HB ALA 122 2HB ALA 122 -3.082 -15.457 -5.817 912 3HB ALA 122 3HB ALA 122 -2.017 -16.887 -5.886 913 H HIS 123 H HIS 123 -4.223 -19.291 -6.631 914 HA HIS 123 HA HIS 123 -3.087 -21.258 -4.745 915 1HB HIS 123 1HB HIS 123 -4.363 -21.867 -7.459 916 2HB HIS 123 2HB HIS 123 -4.106 -22.939 -6.106 917 HD1 HIS 123 HD1 HIS 123 -6.227 -23.349 -4.661 918 HD2 HIS 123 HD2 HIS 123 -6.205 -19.673 -6.784 919 HE1 HIS 123 HE1 HIS 123 -8.506 -22.241 -4.250 920 HE2 HIS 123 HE2 HIS 123 -8.473 -19.964 -5.500 921 H THR 124 H THR 124 -0.946 -20.862 -4.786 922 HA THR 124 HA THR 124 0.467 -20.993 -7.438 923 HB THR 124 HB THR 124 0.840 -19.132 -5.718 924 HG1 THR 124 HG1 THR 124 2.166 -19.339 -7.465 925 1HG2 THR 124 1HG2 THR 124 1.349 -21.023 -3.912 926 2HG2 THR 124 2HG2 THR 124 2.989 -20.876 -4.558 927 3HG2 THR 124 3HG2 THR 124 2.267 -19.449 -3.945 928 H LYS 125 H LYS 125 -0.667 -23.290 -6.736 929 HA LYS 125 HA LYS 125 1.644 -25.027 -5.787 930 1HB LYS 125 1HB LYS 125 -0.466 -25.064 -4.406 931 2HB LYS 125 2HB LYS 125 -1.287 -25.759 -5.809 932 1HG LYS 125 1HG LYS 125 -0.623 -27.766 -5.041 933 2HG LYS 125 2HG LYS 125 1.008 -27.387 -5.566 934 1HD LYS 125 1HD LYS 125 1.665 -26.511 -3.447 935 2HD LYS 125 2HD LYS 125 0.020 -26.655 -2.795 936 1HE LYS 125 1HE LYS 125 1.655 -28.999 -3.845 937 2HE LYS 125 2HE LYS 125 1.591 -28.524 -2.126 938 1HZ LYS 125 1HZ LYS 125 -0.686 -29.052 -1.998 939 2HZ LYS 125 2HZ LYS 125 -0.946 -28.996 -3.526 940 3HZ LYS 125 3HZ LYS 125 -0.124 -30.303 -2.917 941 H GLU 126 H GLU 126 -0.507 -24.288 -8.419 942 HA GLU 126 HA GLU 126 1.133 -25.517 -10.320 943 1HB GLU 126 1HB GLU 126 -0.591 -27.411 -8.977 944 2HB GLU 126 2HB GLU 126 -1.280 -27.160 -10.542 945 1HG GLU 126 1HG GLU 126 1.715 -27.530 -10.454 946 2HG GLU 126 2HG GLU 126 0.720 -28.911 -10.013 947 H ASN 127 H ASN 127 -2.355 -25.332 -9.933 948 HA ASN 127 HA ASN 127 -2.523 -22.990 -11.680 949 1HB ASN 127 1HB ASN 127 -2.524 -25.352 -13.034 950 2HB ASN 127 2HB ASN 127 -4.217 -25.352 -12.535 951 1HD2 ASN 127 1HD2 ASN 127 -4.368 -25.343 -14.941 952 2HD2 ASN 127 2HD2 ASN 127 -4.421 -23.721 -15.683 953 H GLN 128 H GLN 128 -4.319 -25.580 -10.094 954 HA GLN 128 HA GLN 128 -5.888 -23.698 -8.581 955 1HB GLN 128 1HB GLN 128 -6.952 -24.913 -11.076 956 2HB GLN 128 2HB GLN 128 -7.951 -25.318 -9.703 957 1HG GLN 128 1HG GLN 128 -7.524 -22.610 -9.248 958 2HG GLN 128 2HG GLN 128 -7.591 -22.705 -11.011 959 1HE2 GLN 128 1HE2 GLN 128 -9.248 -23.450 -7.958 960 2HE2 GLN 128 2HE2 GLN 128 -10.851 -23.557 -8.734 961 H GLY 129 H GLY 129 -4.585 -24.784 -7.020 962 1HA GLY 129 1HA GLY 129 -5.923 -27.333 -6.087 963 2HA GLY 129 2HA GLY 129 -4.166 -27.122 -6.046 964 H GLU 130 H GLU 130 -3.300 -26.157 -4.292 965 HA GLU 130 HA GLU 130 -5.119 -25.487 -2.090 966 1HB GLU 130 1HB GLU 130 -2.260 -26.152 -2.442 967 2HB GLU 130 2HB GLU 130 -2.439 -24.765 -1.408 968 1HG GLU 130 1HG GLU 130 -2.834 -26.213 0.282 969 2HG GLU 130 2HG GLU 130 -4.461 -26.331 -0.363 970 H LEU 131 H LEU 131 -5.089 -23.495 -0.903 971 HA LEU 131 HA LEU 131 -4.422 -21.152 -2.655 972 1HB LEU 131 1HB LEU 131 -6.948 -21.948 -1.838 973 2HB LEU 131 2HB LEU 131 -6.468 -20.892 -0.498 974 HG LEU 131 HG LEU 131 -6.536 -20.204 -3.450 975 1HD1 LEU 131 1HD1 LEU 131 -8.322 -18.664 -2.768 976 2HD1 LEU 131 2HD1 LEU 131 -8.792 -20.324 -2.472 977 3HD1 LEU 131 3HD1 LEU 131 -8.245 -19.339 -1.107 978 1HD2 LEU 131 1HD2 LEU 131 -5.435 -18.647 -1.220 979 2HD2 LEU 131 2HD2 LEU 131 -4.837 -18.998 -2.876 980 3HD2 LEU 131 3HD2 LEU 131 -6.167 -17.920 -2.670 981 H LYS 132 H LYS 132 -3.425 -19.439 -1.677 982 HA LYS 132 HA LYS 132 -2.813 -19.374 1.177 983 1HB LYS 132 1HB LYS 132 -0.371 -19.268 0.692 984 2HB LYS 132 2HB LYS 132 -1.093 -20.856 0.591 985 1HG LYS 132 1HG LYS 132 -0.495 -21.178 -1.552 986 2HG LYS 132 2HG LYS 132 -1.164 -19.661 -2.092 987 1HD LYS 132 1HD LYS 132 1.336 -19.296 -0.544 988 2HD LYS 132 2HD LYS 132 1.491 -20.241 -1.966 989 1HE LYS 132 1HE LYS 132 0.504 -18.445 -3.365 990 2HE LYS 132 2HE LYS 132 -0.042 -17.566 -1.941 991 1HZ LYS 132 1HZ LYS 132 2.110 -16.968 -1.377 992 2HZ LYS 132 2HZ LYS 132 2.832 -18.113 -2.318 993 3HZ LYS 132 3HZ LYS 132 2.149 -16.790 -3.013 994 H LEU 133 H LEU 133 -1.288 -17.464 1.526 995 HA LEU 133 HA LEU 133 -2.478 -15.164 0.071 996 1HB LEU 133 1HB LEU 133 -2.140 -15.458 2.694 997 2HB LEU 133 2HB LEU 133 -0.522 -14.954 2.378 998 HG LEU 133 HG LEU 133 -1.675 -12.911 1.106 999 1HD1 LEU 133 1HD1 LEU 133 -3.972 -14.054 2.674 1000 2HD1 LEU 133 2HD1 LEU 133 -3.884 -12.351 2.206 1001 3HD1 LEU 133 3HD1 LEU 133 -3.864 -13.562 0.958 1002 1HD2 LEU 133 1HD2 LEU 133 -1.955 -11.713 3.283 1003 2HD2 LEU 133 2HD2 LEU 133 -1.807 -13.277 4.127 1004 3HD2 LEU 133 3HD2 LEU 133 -0.453 -12.639 3.162 1005 H CYS 134 H CYS 134 -1.270 -13.760 -1.098 1006 HA CYS 134 HA CYS 134 1.067 -14.602 -2.507 1007 1HB CYS 134 1HB CYS 134 -0.093 -11.819 -2.059 1008 2HB CYS 134 2HB CYS 134 1.157 -12.177 -3.180 1009 H SER 135 H SER 135 2.870 -12.871 -2.553 1010 HA SER 135 HA SER 135 3.856 -12.042 0.080 1011 1HB SER 135 1HB SER 135 5.115 -14.516 -1.206 1012 2HB SER 135 2HB SER 135 5.818 -13.584 0.138 1013 HG SER 135 HG SER 135 3.580 -14.215 1.083 1014 H HIS 136 H HIS 136 4.076 -10.175 -1.141 1015 HA HIS 136 HA HIS 136 5.428 -9.636 -3.545 1016 1HB HIS 136 1HB HIS 136 6.207 -7.509 -2.086 1017 2HB HIS 136 2HB HIS 136 4.585 -7.684 -2.644 1018 HD1 HIS 136 HD1 HIS 136 6.263 -9.148 0.425 1019 HD2 HIS 136 HD2 HIS 136 3.015 -6.979 -0.906 1020 HE1 HIS 136 HE1 HIS 136 4.793 -8.607 2.611 1021 HE2 HIS 136 HE2 HIS 136 2.790 -7.190 1.745 Start of MODEL 18 1 1H ALA 1 H1 ALA 1 0.328 0.111 -0.226 2 2H ALA 1 H2 ALA 1 1.622 0.765 0.596 3 3H ALA 1 H3 ALA 1 1.448 -0.872 0.481 4 HA ALA 1 HA ALA 1 2.826 0.808 -1.205 5 1HB ALA 1 1HB ALA 1 3.451 -1.510 -0.528 6 2HB ALA 1 2HB ALA 1 2.101 -2.149 -1.497 7 3HB ALA 1 3HB ALA 1 3.452 -1.300 -2.294 8 H VAL 2 H VAL 2 2.468 1.539 -3.264 9 HA VAL 2 HA VAL 2 -0.272 1.074 -4.364 10 HB VAL 2 HB VAL 2 0.098 3.354 -3.685 11 1HG1 VAL 2 1HG1 VAL 2 1.889 4.732 -4.696 12 2HG1 VAL 2 2HG1 VAL 2 2.538 3.487 -3.646 13 3HG1 VAL 2 3HG1 VAL 2 2.586 3.230 -5.391 14 1HG2 VAL 2 1HG2 VAL 2 -0.268 4.467 -5.864 15 2HG2 VAL 2 2HG2 VAL 2 0.311 2.990 -6.669 16 3HG2 VAL 2 3HG2 VAL 2 -1.186 2.960 -5.739 17 H THR 3 H THR 3 -0.487 0.476 -6.491 18 HA THR 3 HA THR 3 1.910 -0.784 -7.690 19 HB THR 3 HB THR 3 -1.046 -1.082 -7.838 20 HG1 THR 3 HG1 THR 3 -0.125 -3.225 -8.174 21 1HG2 THR 3 1HG2 THR 3 -0.504 -0.575 -10.209 22 2HG2 THR 3 2HG2 THR 3 0.771 -1.802 -10.140 23 3HG2 THR 3 3HG2 THR 3 -0.983 -2.207 -9.885 24 H TRP 4 H TRP 4 3.194 0.340 -8.995 25 HA TRP 4 HA TRP 4 2.238 2.784 -10.268 26 1HB TRP 4 1HB TRP 4 4.926 1.435 -10.170 27 2HB TRP 4 2HB TRP 4 4.530 2.927 -10.962 28 HD1 TRP 4 HD1 TRP 4 3.987 1.634 -7.376 29 HE1 TRP 4 HE1 TRP 4 4.652 3.519 -5.693 30 HE3 TRP 4 HE3 TRP 4 5.390 5.159 -10.702 31 HZ2 TRP 4 HZ2 TRP 4 5.618 6.182 -5.833 32 HZ3 TRP 4 HZ3 TRP 4 6.260 7.342 -9.949 33 HH2 TRP 4 HH2 TRP 4 6.402 7.874 -7.520 34 H THR 5 H THR 5 1.803 3.006 -12.382 35 HA THR 5 HA THR 5 2.067 0.553 -14.058 36 HB THR 5 HB THR 5 -0.238 2.298 -13.474 37 HG1 THR 5 HG1 THR 5 0.118 -0.230 -14.707 38 1HG2 THR 5 1HG2 THR 5 -1.266 2.124 -15.634 39 2HG2 THR 5 2HG2 THR 5 0.252 2.931 -15.919 40 3HG2 THR 5 3HG2 THR 5 0.107 1.187 -16.288 41 H CYS 6 H CYS 6 3.280 0.688 -15.731 42 HA CYS 6 HA CYS 6 3.969 3.425 -16.763 43 1HB CYS 6 1HB CYS 6 5.696 0.987 -17.052 44 2HB CYS 6 2HB CYS 6 6.080 2.666 -17.319 45 H GLY 7 H GLY 7 1.612 2.134 -17.562 46 1HA GLY 7 1HA GLY 7 1.150 2.398 -20.076 47 2HA GLY 7 2HA GLY 7 2.230 0.990 -20.247 48 H GLY 8 H GLY 8 1.543 -1.027 -19.644 49 1HA GLY 8 1HA GLY 8 -1.322 -1.298 -18.772 50 2HA GLY 8 2HA GLY 8 -0.619 -2.292 -20.061 51 H LEU 9 H LEU 9 1.831 -1.796 -17.842 52 HA LEU 9 HA LEU 9 1.283 -4.399 -16.575 53 1HB LEU 9 1HB LEU 9 3.962 -3.339 -16.339 54 2HB LEU 9 2HB LEU 9 3.438 -4.908 -16.828 55 HG LEU 9 HG LEU 9 4.628 -4.100 -18.665 56 1HD1 LEU 9 1HD1 LEU 9 2.178 -3.191 -19.972 57 2HD1 LEU 9 2HD1 LEU 9 3.122 -4.665 -20.238 58 3HD1 LEU 9 3HD1 LEU 9 1.897 -4.617 -18.983 59 1HD2 LEU 9 1HD2 LEU 9 3.471 -1.573 -19.433 60 2HD2 LEU 9 2HD2 LEU 9 3.893 -1.499 -17.710 61 3HD2 LEU 9 3HD2 LEU 9 5.096 -1.946 -18.912 62 H LEU 10 H LEU 10 1.377 -4.611 -14.400 63 HA LEU 10 HA LEU 10 1.286 -2.062 -12.860 64 1HB LEU 10 1HB LEU 10 0.123 -4.812 -12.311 65 2HB LEU 10 2HB LEU 10 0.038 -3.501 -11.216 66 HG LEU 10 HG LEU 10 -1.037 -3.106 -14.019 67 1HD1 LEU 10 1HD1 LEU 10 -3.079 -4.099 -13.560 68 2HD1 LEU 10 2HD1 LEU 10 -1.956 -5.249 -12.843 69 3HD1 LEU 10 3HD1 LEU 10 -2.836 -4.120 -11.797 70 1HD2 LEU 10 1HD2 LEU 10 -2.226 -1.306 -13.181 71 2HD2 LEU 10 2HD2 LEU 10 -2.314 -1.947 -11.543 72 3HD2 LEU 10 3HD2 LEU 10 -0.801 -1.264 -12.198 73 H TYR 11 H TYR 11 2.981 -1.619 -11.679 74 HA TYR 11 HA TYR 11 4.817 -3.800 -10.799 75 1HB TYR 11 1HB TYR 11 5.332 -0.851 -11.317 76 2HB TYR 11 2HB TYR 11 6.540 -2.063 -10.891 77 HD1 TYR 11 HD1 TYR 11 5.000 -0.288 -13.544 78 HD2 TYR 11 HD2 TYR 11 6.621 -4.158 -12.553 79 HE1 TYR 11 HE1 TYR 11 5.309 -0.812 -15.981 80 HE2 TYR 11 HE2 TYR 11 7.019 -4.619 -14.967 81 HH TYR 11 HH TYR 11 6.957 -3.806 -17.006 82 H ASN 12 H ASN 12 4.164 -4.291 -8.774 83 HA ASN 12 HA ASN 12 3.016 -2.443 -6.951 84 1HB ASN 12 1HB ASN 12 2.975 -4.964 -6.679 85 2HB ASN 12 2HB ASN 12 4.699 -4.885 -6.291 86 1HD2 ASN 12 1HD2 ASN 12 1.944 -2.874 -5.362 87 2HD2 ASN 12 2HD2 ASN 12 2.206 -3.049 -3.622 88 H GLN 13 H GLN 13 3.919 -0.635 -6.099 89 HA GLN 13 HA GLN 13 6.489 0.065 -6.367 90 1HB GLN 13 1HB GLN 13 4.765 1.558 -5.377 91 2HB GLN 13 2HB GLN 13 4.720 0.613 -3.921 92 1HG GLN 13 1HG GLN 13 6.084 2.862 -3.957 93 2HG GLN 13 2HG GLN 13 6.833 1.436 -3.206 94 1HE2 GLN 13 1HE2 GLN 13 6.389 2.460 -6.653 95 2HE2 GLN 13 2HE2 GLN 13 8.124 2.322 -6.967 96 H ASN 14 H ASN 14 5.239 -1.728 -3.568 97 HA ASN 14 HA ASN 14 7.563 -1.911 -2.036 98 1HB ASN 14 1HB ASN 14 5.106 -3.105 -1.920 99 2HB ASN 14 2HB ASN 14 6.069 -4.466 -2.520 100 1HD2 ASN 14 1HD2 ASN 14 4.740 -3.969 0.064 101 2HD2 ASN 14 2HD2 ASN 14 6.065 -4.216 1.224 102 H LYS 15 H LYS 15 6.742 -3.679 -5.025 103 HA LYS 15 HA LYS 15 9.165 -5.331 -4.963 104 1HB LYS 15 1HB LYS 15 6.759 -5.044 -6.674 105 2HB LYS 15 2HB LYS 15 8.198 -5.499 -7.536 106 1HG LYS 15 1HG LYS 15 8.334 -7.557 -6.539 107 2HG LYS 15 2HG LYS 15 7.793 -6.980 -4.970 108 1HD LYS 15 1HD LYS 15 5.536 -6.748 -6.746 109 2HD LYS 15 2HD LYS 15 6.214 -8.282 -7.045 110 1HE LYS 15 1HE LYS 15 5.643 -9.129 -5.016 111 2HE LYS 15 2HE LYS 15 6.103 -7.660 -4.143 112 1HZ LYS 15 1HZ LYS 15 4.046 -6.747 -4.417 113 2HZ LYS 15 2HZ LYS 15 3.735 -7.551 -5.836 114 3HZ LYS 15 3HZ LYS 15 3.604 -8.338 -4.404 115 H ALA 16 H ALA 16 8.123 -2.234 -6.391 116 HA ALA 16 HA ALA 16 10.315 -1.957 -8.184 117 1HB ALA 16 1HB ALA 16 8.128 -0.596 -8.017 118 2HB ALA 16 2HB ALA 16 8.938 0.252 -6.684 119 3HB ALA 16 3HB ALA 16 9.667 0.306 -8.267 120 H GLU 17 H GLU 17 9.860 -1.042 -4.730 121 HA GLU 17 HA GLU 17 12.617 -0.092 -4.533 122 1HB GLU 17 1HB GLU 17 12.021 0.098 -2.082 123 2HB GLU 17 2HB GLU 17 11.087 1.115 -3.197 124 1HG GLU 17 1HG GLU 17 9.177 -0.221 -2.990 125 2HG GLU 17 2HG GLU 17 10.071 -1.586 -2.328 126 H SER 18 H SER 18 10.727 -2.955 -3.574 127 HA SER 18 HA SER 18 12.792 -4.171 -2.034 128 1HB SER 18 1HB SER 18 10.497 -4.877 -1.738 129 2HB SER 18 2HB SER 18 10.455 -5.468 -3.418 130 HG SER 18 HG SER 18 10.763 -7.098 -1.948 131 H ASN 19 H ASN 19 11.511 -5.041 -5.305 132 HA ASN 19 HA ASN 19 13.354 -6.911 -6.115 133 1HB ASN 19 1HB ASN 19 11.366 -6.132 -7.469 134 2HB ASN 19 2HB ASN 19 12.344 -4.699 -7.910 135 1HD2 ASN 19 1HD2 ASN 19 12.832 -8.204 -7.663 136 2HD2 ASN 19 2HD2 ASN 19 13.624 -8.291 -9.254 137 H SER 20 H SER 20 13.738 -3.423 -5.807 138 HA SER 20 HA SER 20 16.353 -3.451 -7.074 139 1HB SER 20 1HB SER 20 16.217 -1.207 -7.151 140 2HB SER 20 2HB SER 20 14.493 -1.563 -6.975 141 HG SER 20 HG SER 20 16.314 -0.774 -4.955 142 H HIS 21 H HIS 21 14.953 -3.181 -3.819 143 HA HIS 21 HA HIS 21 17.083 -2.420 -2.248 144 1HB HIS 21 1HB HIS 21 14.799 -4.337 -1.777 145 2HB HIS 21 2HB HIS 21 16.080 -4.360 -0.649 146 HD1 HIS 21 HD1 HIS 21 14.358 -3.453 1.153 147 HD2 HIS 21 HD2 HIS 21 15.151 -0.887 -2.094 148 HE1 HIS 21 HE1 HIS 21 13.467 -1.120 1.824 149 HE2 HIS 21 HE2 HIS 21 13.934 0.430 -0.199 150 H HIS 22 H HIS 22 16.587 -5.624 -3.777 151 HA HIS 22 HA HIS 22 18.905 -6.770 -2.572 152 1HB HIS 22 1HB HIS 22 17.926 -7.885 -5.113 153 2HB HIS 22 2HB HIS 22 18.224 -8.666 -3.575 154 HD1 HIS 22 HD1 HIS 22 15.644 -8.649 -5.744 155 HD2 HIS 22 HD2 HIS 22 15.949 -7.183 -1.807 156 HE1 HIS 22 HE1 HIS 22 13.237 -8.587 -4.784 157 HE2 HIS 22 HE2 HIS 22 13.418 -7.626 -2.408 158 H ALA 23 H ALA 23 18.170 -5.299 -5.772 159 HA ALA 23 HA ALA 23 20.365 -5.729 -7.190 160 1HB ALA 23 1HB ALA 23 18.231 -4.091 -7.443 161 2HB ALA 23 2HB ALA 23 19.511 -2.904 -7.158 162 3HB ALA 23 3HB ALA 23 19.624 -4.088 -8.485 163 HA PRO 24 HA PRO 24 23.609 -4.092 -4.663 164 1HB PRO 24 1HB PRO 24 25.671 -4.210 -6.564 165 2HB PRO 24 2HB PRO 24 25.097 -5.575 -5.545 166 1HG PRO 24 1HG PRO 24 24.665 -5.001 -8.352 167 2HG PRO 24 2HG PRO 24 24.518 -6.593 -7.533 168 1HD PRO 24 1HD PRO 24 22.396 -4.895 -8.393 169 2HD PRO 24 2HD PRO 24 22.280 -6.342 -7.384 170 H LEU 25 H LEU 25 23.872 -2.036 -4.132 171 HA LEU 25 HA LEU 25 23.230 0.077 -5.851 172 1HB LEU 25 1HB LEU 25 23.615 -0.248 -3.111 173 2HB LEU 25 2HB LEU 25 25.007 0.716 -3.548 174 HG LEU 25 HG LEU 25 23.688 2.532 -4.307 175 1HD1 LEU 25 1HD1 LEU 25 21.476 0.532 -4.414 176 2HD1 LEU 25 2HD1 LEU 25 21.160 2.324 -4.271 177 3HD1 LEU 25 3HD1 LEU 25 22.015 1.711 -5.618 178 1HD2 LEU 25 1HD2 LEU 25 23.806 2.628 -1.976 179 2HD2 LEU 25 2HD2 LEU 25 22.105 2.827 -2.316 180 3HD2 LEU 25 3HD2 LEU 25 22.679 1.269 -1.741 181 H SER 26 H SER 26 24.288 0.067 -7.751 182 HA SER 26 HA SER 26 26.788 1.358 -7.898 183 1HB SER 26 1HB SER 26 26.845 -1.596 -7.751 184 2HB SER 26 2HB SER 26 27.754 -0.853 -9.097 185 HG SER 26 HG SER 26 28.223 -0.728 -6.358 186 H ASP 27 H ASP 27 27.496 1.557 -10.162 187 HA ASP 27 HA ASP 27 25.246 1.231 -12.031 188 1HB ASP 27 1HB ASP 27 25.772 3.291 -12.538 189 2HB ASP 27 2HB ASP 27 27.239 3.284 -11.599 190 H GLY 28 H GLY 28 25.310 -0.492 -13.375 191 1HA GLY 28 1HA GLY 28 26.161 -2.188 -14.678 192 2HA GLY 28 2HA GLY 28 27.441 -1.021 -15.136 193 H LYS 29 H LYS 29 26.473 -3.246 -12.552 194 HA LYS 29 HA LYS 29 29.169 -4.368 -12.442 195 1HB LYS 29 1HB LYS 29 28.197 -2.429 -10.403 196 2HB LYS 29 2HB LYS 29 28.881 -3.896 -9.726 197 1HG LYS 29 1HG LYS 29 30.803 -3.383 -11.591 198 2HG LYS 29 2HG LYS 29 30.211 -1.743 -11.331 199 1HD LYS 29 1HD LYS 29 31.677 -1.742 -9.591 200 2HD LYS 29 2HD LYS 29 30.404 -2.611 -8.738 201 1HE LYS 29 1HE LYS 29 31.758 -4.618 -10.220 202 2HE LYS 29 2HE LYS 29 33.049 -3.532 -9.696 203 1HZ LYS 29 1HZ LYS 29 31.489 -5.357 -8.162 204 2HZ LYS 29 2HZ LYS 29 32.890 -4.586 -7.732 205 3HZ LYS 29 3HZ LYS 29 31.424 -3.859 -7.514 206 H THR 30 H THR 30 26.538 -5.279 -13.175 207 HA THR 30 HA THR 30 26.259 -7.487 -11.172 208 HB THR 30 HB THR 30 23.851 -7.381 -11.586 209 HG1 THR 30 HG1 THR 30 23.124 -5.874 -13.008 210 1HG2 THR 30 1HG2 THR 30 25.274 -5.290 -10.295 211 2HG2 THR 30 2HG2 THR 30 24.032 -4.510 -11.245 212 3HG2 THR 30 3HG2 THR 30 23.585 -5.800 -10.101 213 H GLY 31 H GLY 31 25.874 -9.502 -12.009 214 1HA GLY 31 1HA GLY 31 27.212 -10.388 -14.198 215 2HA GLY 31 2HA GLY 31 25.721 -11.149 -13.641 216 H SER 32 H SER 32 23.735 -9.518 -14.207 217 HA SER 32 HA SER 32 23.540 -9.789 -17.117 218 1HB SER 32 1HB SER 32 21.550 -10.182 -15.806 219 2HB SER 32 2HB SER 32 21.691 -8.579 -15.037 220 HG SER 32 HG SER 32 20.404 -9.177 -17.231 221 H SER 33 H SER 33 23.117 -6.921 -14.990 222 HA SER 33 HA SER 33 24.913 -5.225 -16.159 223 1HB SER 33 1HB SER 33 23.398 -3.810 -17.652 224 2HB SER 33 2HB SER 33 23.860 -5.355 -18.336 225 HG SER 33 HG SER 33 21.853 -6.216 -17.693 226 H TYR 34 H TYR 34 21.403 -4.904 -15.656 227 HA TYR 34 HA TYR 34 21.543 -2.557 -14.230 228 1HB TYR 34 1HB TYR 34 19.454 -4.762 -14.060 229 2HB TYR 34 2HB TYR 34 19.194 -3.090 -13.628 230 HD1 TYR 34 HD1 TYR 34 19.286 -5.472 -16.349 231 HD2 TYR 34 HD2 TYR 34 19.227 -1.303 -15.343 232 HE1 TYR 34 HE1 TYR 34 18.596 -4.920 -18.698 233 HE2 TYR 34 HE2 TYR 34 18.540 -0.794 -17.749 234 HH TYR 34 HH TYR 34 18.859 -1.925 -20.010 235 HA PRO 35 HA PRO 35 20.313 -1.605 -12.618 236 1HB PRO 35 1HB PRO 35 21.070 0.012 -10.538 237 2HB PRO 35 2HB PRO 35 19.619 -0.994 -10.542 238 1HG PRO 35 1HG PRO 35 22.155 -1.424 -9.097 239 2HG PRO 35 2HG PRO 35 20.536 -2.082 -8.794 240 1HD PRO 35 1HD PRO 35 22.767 -3.380 -10.016 241 2HD PRO 35 2HD PRO 35 21.146 -4.072 -9.853 242 H HIS 36 H HIS 36 21.048 0.601 -13.064 243 HA HIS 36 HA HIS 36 23.921 0.849 -13.378 244 1HB HIS 36 1HB HIS 36 23.909 1.188 -15.754 245 2HB HIS 36 2HB HIS 36 23.353 -0.441 -15.363 246 HD1 HIS 36 HD1 HIS 36 22.745 1.477 -17.989 247 HD2 HIS 36 HD2 HIS 36 20.218 0.471 -14.825 248 HE1 HIS 36 HE1 HIS 36 20.289 1.706 -18.879 249 HE2 HIS 36 HE2 HIS 36 18.831 1.071 -16.852 250 H TRP 37 H TRP 37 24.570 3.016 -14.148 251 HA TRP 37 HA TRP 37 23.177 4.963 -12.696 252 1HB TRP 37 1HB TRP 37 25.446 5.364 -13.241 253 2HB TRP 37 2HB TRP 37 25.174 5.094 -14.933 254 HD1 TRP 37 HD1 TRP 37 23.424 7.693 -12.568 255 HE1 TRP 37 HE1 TRP 37 23.595 9.995 -13.648 256 HE3 TRP 37 HE3 TRP 37 26.003 6.347 -16.705 257 HZ2 TRP 37 HZ2 TRP 37 24.709 11.125 -16.015 258 HZ3 TRP 37 HZ3 TRP 37 26.655 8.094 -18.397 259 HH2 TRP 37 HH2 TRP 37 25.948 10.414 -18.036 260 H PHE 38 H PHE 38 21.691 6.506 -13.265 261 HA PHE 38 HA PHE 38 20.179 6.067 -15.769 262 1HB PHE 38 1HB PHE 38 18.915 5.516 -13.745 263 2HB PHE 38 2HB PHE 38 19.439 6.998 -12.989 264 HD1 PHE 38 HD1 PHE 38 18.122 6.566 -16.477 265 HD2 PHE 38 HD2 PHE 38 17.514 8.310 -12.611 266 HE1 PHE 38 HE1 PHE 38 16.117 7.718 -17.315 267 HE2 PHE 38 HE2 PHE 38 15.506 9.491 -13.471 268 HZ PHE 38 HZ PHE 38 14.809 9.181 -15.793 269 H THR 39 H THR 39 21.619 7.456 -16.893 270 HA THR 39 HA THR 39 22.431 10.040 -16.381 271 HB THR 39 HB THR 39 21.938 10.361 -18.907 272 HG1 THR 39 HG1 THR 39 21.338 8.336 -19.859 273 1HG2 THR 39 1HG2 THR 39 23.998 9.461 -19.018 274 2HG2 THR 39 2HG2 THR 39 23.616 8.379 -17.640 275 3HG2 THR 39 3HG2 THR 39 23.265 7.869 -19.255 276 H ASN 40 H ASN 40 19.114 8.929 -16.879 277 HA ASN 40 HA ASN 40 17.129 10.107 -16.872 278 1HB ASN 40 1HB ASN 40 17.948 10.299 -14.464 279 2HB ASN 40 2HB ASN 40 18.627 11.821 -14.847 280 1HD2 ASN 40 1HD2 ASN 40 17.348 13.000 -13.497 281 2HD2 ASN 40 2HD2 ASN 40 15.617 13.255 -13.777 282 H GLY 41 H GLY 41 19.308 11.045 -18.690 283 1HA GLY 41 1HA GLY 41 18.782 12.607 -20.498 284 2HA GLY 41 2HA GLY 41 18.207 13.705 -19.246 285 H TYR 42 H TYR 42 20.385 13.340 -17.358 286 HA TYR 42 HA TYR 42 22.233 15.268 -18.092 287 1HB TYR 42 1HB TYR 42 22.520 12.868 -16.229 288 2HB TYR 42 2HB TYR 42 23.619 14.185 -16.252 289 HD1 TYR 42 HD1 TYR 42 22.610 16.494 -15.914 290 HD2 TYR 42 HD2 TYR 42 20.592 12.968 -14.711 291 HE1 TYR 42 HE1 TYR 42 21.245 17.854 -14.204 292 HE2 TYR 42 HE2 TYR 42 19.196 14.275 -13.114 293 HH TYR 42 HH TYR 42 19.909 17.515 -12.247 294 H ASP 43 H ASP 43 24.447 15.179 -18.670 295 HA ASP 43 HA ASP 43 24.963 13.073 -20.672 296 1HB ASP 43 1HB ASP 43 25.868 15.804 -20.108 297 2HB ASP 43 2HB ASP 43 27.265 14.742 -20.195 298 H GLY 44 H GLY 44 26.168 14.128 -17.535 299 1HA GLY 44 1HA GLY 44 27.292 11.528 -16.910 300 2HA GLY 44 2HA GLY 44 28.524 12.739 -17.214 301 H ASP 45 H ASP 45 28.363 14.741 -15.913 302 HA ASP 45 HA ASP 45 27.373 14.160 -13.158 303 1HB ASP 45 1HB ASP 45 29.877 15.305 -14.284 304 2HB ASP 45 2HB ASP 45 29.120 16.378 -13.111 305 H GLY 46 H GLY 46 28.213 17.061 -15.052 306 1HA GLY 46 1HA GLY 46 26.466 18.844 -13.786 307 2HA GLY 46 2HA GLY 46 27.124 19.048 -15.439 308 H LYS 47 H LYS 47 24.948 20.079 -15.622 309 HA LYS 47 HA LYS 47 22.572 18.546 -15.613 310 1HB LYS 47 1HB LYS 47 22.971 20.890 -17.445 311 2HB LYS 47 2HB LYS 47 21.500 20.316 -16.625 312 1HG LYS 47 1HG LYS 47 22.844 20.809 -14.406 313 2HG LYS 47 2HG LYS 47 23.893 21.772 -15.450 314 1HD LYS 47 1HD LYS 47 20.971 22.290 -15.825 315 2HD LYS 47 2HD LYS 47 21.554 22.612 -14.203 316 1HE LYS 47 1HE LYS 47 22.117 24.633 -15.055 317 2HE LYS 47 2HE LYS 47 23.576 23.797 -15.599 318 1HZ LYS 47 1HZ LYS 47 21.186 23.783 -17.300 319 2HZ LYS 47 2HZ LYS 47 22.141 25.117 -17.293 320 3HZ LYS 47 3HZ LYS 47 22.763 23.663 -17.755 321 H LEU 48 H LEU 48 21.435 18.941 -18.155 322 HA LEU 48 HA LEU 48 22.719 16.670 -19.527 323 1HB LEU 48 1HB LEU 48 20.251 17.747 -20.675 324 2HB LEU 48 2HB LEU 48 20.741 16.146 -20.261 325 HG LEU 48 HG LEU 48 20.292 16.888 -17.743 326 1HD1 LEU 48 1HD1 LEU 48 18.061 18.518 -18.370 327 2HD1 LEU 48 2HD1 LEU 48 19.557 19.023 -17.601 328 3HD1 LEU 48 3HD1 LEU 48 19.327 19.168 -19.364 329 1HD2 LEU 48 1HD2 LEU 48 18.803 15.369 -17.955 330 2HD2 LEU 48 2HD2 LEU 48 17.680 16.460 -18.725 331 3HD2 LEU 48 3HD2 LEU 48 18.757 15.580 -19.725 332 HA PRO 49 HA PRO 49 24.356 19.053 -22.749 333 1HB PRO 49 1HB PRO 49 23.880 17.459 -25.014 334 2HB PRO 49 2HB PRO 49 25.164 17.247 -23.829 335 1HG PRO 49 1HG PRO 49 22.640 15.686 -24.183 336 2HG PRO 49 2HG PRO 49 24.120 15.198 -23.394 337 1HD PRO 49 1HD PRO 49 21.746 16.090 -22.153 338 2HD PRO 49 2HD PRO 49 23.270 15.702 -21.338 339 H LYS 50 H LYS 50 23.900 19.994 -24.967 340 HA LYS 50 HA LYS 50 21.489 21.496 -24.842 341 1HB LYS 50 1HB LYS 50 23.115 22.640 -25.902 342 2HB LYS 50 2HB LYS 50 23.743 21.245 -26.775 343 1HG LYS 50 1HG LYS 50 22.154 21.363 -28.466 344 2HG LYS 50 2HG LYS 50 20.965 22.224 -27.471 345 1HD LYS 50 1HD LYS 50 21.732 24.227 -28.044 346 2HD LYS 50 2HD LYS 50 23.440 23.751 -27.869 347 1HE LYS 50 1HE LYS 50 23.269 22.506 -30.053 348 2HE LYS 50 2HE LYS 50 21.631 23.145 -30.252 349 1HZ LYS 50 1HZ LYS 50 22.612 24.938 -31.140 350 2HZ LYS 50 2HZ LYS 50 23.198 25.321 -29.652 351 3HZ LYS 50 3HZ LYS 50 24.124 24.453 -30.695 352 H GLY 51 H GLY 51 19.776 20.140 -24.679 353 1HA GLY 51 1HA GLY 51 17.843 19.551 -26.194 354 2HA GLY 51 2HA GLY 51 19.025 18.636 -27.170 355 H ARG 52 H ARG 52 17.202 18.718 -24.158 356 HA ARG 52 HA ARG 52 17.068 15.915 -24.083 357 1HB ARG 52 1HB ARG 52 19.258 17.211 -22.556 358 2HB ARG 52 2HB ARG 52 18.155 16.360 -21.504 359 1HG ARG 52 1HG ARG 52 19.554 15.097 -23.917 360 2HG ARG 52 2HG ARG 52 20.036 14.931 -22.274 361 1HD ARG 52 1HD ARG 52 18.807 13.030 -22.438 362 2HD ARG 52 2HD ARG 52 17.509 14.142 -21.941 363 HE ARG 52 HE ARG 52 17.954 13.924 -24.832 364 1HH1 ARG 52 2HH2 ARG 52 16.171 12.661 -22.140 365 2HH1 ARG 52 1HH2 ARG 52 14.873 12.034 -23.105 366 1HH2 ARG 52 2HH1 ARG 52 16.299 13.087 -26.103 367 2HH2 ARG 52 1HH1 ARG 52 14.971 12.269 -25.347 368 H THR 53 H THR 53 15.806 15.109 -22.219 369 HA THR 53 HA THR 53 14.254 17.232 -20.867 370 HB THR 53 HB THR 53 13.043 15.151 -22.664 371 HG1 THR 53 HG1 THR 53 12.501 17.038 -23.765 372 1HG2 THR 53 1HG2 THR 53 11.359 15.360 -21.057 373 2HG2 THR 53 2HG2 THR 53 11.930 16.958 -20.509 374 3HG2 THR 53 3HG2 THR 53 11.023 16.808 -22.026 375 HA PRO 54 HA PRO 54 15.230 13.932 -17.927 376 1HB PRO 54 1HB PRO 54 15.283 15.601 -15.677 377 2HB PRO 54 2HB PRO 54 16.676 15.253 -16.719 378 1HG PRO 54 1HG PRO 54 15.063 17.736 -16.552 379 2HG PRO 54 2HG PRO 54 16.705 17.485 -17.135 380 1HD PRO 54 1HD PRO 54 14.301 17.764 -18.691 381 2HD PRO 54 2HD PRO 54 15.914 17.406 -19.326 382 H ILE 55 H ILE 55 14.147 13.245 -15.874 383 HA ILE 55 HA ILE 55 11.228 13.702 -16.218 384 HB ILE 55 HB ILE 55 12.566 11.532 -14.592 385 1HG1 ILE 55 1HG1 ILE 55 11.931 11.627 -17.587 386 2HG1 ILE 55 2HG1 ILE 55 13.465 11.252 -16.817 387 1HG2 ILE 55 1HG2 ILE 55 10.479 10.537 -14.644 388 2HG2 ILE 55 2HG2 ILE 55 10.037 12.201 -14.385 389 3HG2 ILE 55 3HG2 ILE 55 9.882 11.490 -16.012 390 1HD1 ILE 55 1HD1 ILE 55 11.015 9.485 -16.524 391 2HD1 ILE 55 2HD1 ILE 55 12.299 9.240 -17.688 392 3HD1 ILE 55 3HD1 ILE 55 12.672 9.219 -15.946 393 H LYS 56 H LYS 56 9.998 14.556 -14.654 394 HA LYS 56 HA LYS 56 11.455 15.777 -12.397 395 1HB LYS 56 1HB LYS 56 10.014 17.259 -13.706 396 2HB LYS 56 2HB LYS 56 8.621 16.196 -13.498 397 1HG LYS 56 1HG LYS 56 8.387 18.064 -11.938 398 2HG LYS 56 2HG LYS 56 8.685 16.634 -11.020 399 1HD LYS 56 1HD LYS 56 10.150 18.266 -10.054 400 2HD LYS 56 2HD LYS 56 11.222 17.290 -11.031 401 1HE LYS 56 1HE LYS 56 10.285 19.206 -12.851 402 2HE LYS 56 2HE LYS 56 10.426 20.107 -11.345 403 1HZ LYS 56 1HZ LYS 56 12.517 19.125 -13.035 404 2HZ LYS 56 2HZ LYS 56 12.645 20.179 -11.772 405 3HZ LYS 56 3HZ LYS 56 12.763 18.600 -11.510 406 H PHE 57 H PHE 57 10.596 15.647 -10.258 407 HA PHE 57 HA PHE 57 8.907 13.278 -9.646 408 1HB PHE 57 1HB PHE 57 11.567 13.875 -8.268 409 2HB PHE 57 2HB PHE 57 10.563 12.432 -8.087 410 HD1 PHE 57 HD1 PHE 57 13.239 14.081 -9.979 411 HD2 PHE 57 HD2 PHE 57 10.369 10.863 -10.063 412 HE1 PHE 57 HE1 PHE 57 14.547 12.967 -11.753 413 HE2 PHE 57 HE2 PHE 57 11.724 9.742 -11.895 414 HZ PHE 57 HZ PHE 57 13.777 10.816 -12.718 415 H GLY 58 H GLY 58 10.755 16.040 -8.285 416 1HA GLY 58 1HA GLY 58 9.446 17.825 -7.145 417 2HA GLY 58 2HA GLY 58 8.504 16.534 -6.374 418 H LYS 59 H LYS 59 11.578 15.316 -6.552 419 HA LYS 59 HA LYS 59 12.187 16.198 -3.770 420 1HB LYS 59 1HB LYS 59 12.479 13.646 -5.325 421 2HB LYS 59 2HB LYS 59 13.873 14.060 -4.336 422 1HG LYS 59 1HG LYS 59 12.792 13.719 -2.369 423 2HG LYS 59 2HG LYS 59 11.292 14.475 -2.895 424 1HD LYS 59 1HD LYS 59 12.109 11.760 -3.958 425 2HD LYS 59 2HD LYS 59 11.278 11.924 -2.407 426 1HE LYS 59 1HE LYS 59 9.270 12.396 -3.350 427 2HE LYS 59 2HE LYS 59 9.976 13.551 -4.483 428 1HZ LYS 59 1HZ LYS 59 9.844 10.600 -4.810 429 2HZ LYS 59 2HZ LYS 59 9.137 11.737 -5.769 430 3HZ LYS 59 3HZ LYS 59 10.765 11.537 -5.754 431 H SER 60 H SER 60 13.973 17.172 -3.222 432 HA SER 60 HA SER 60 15.395 18.553 -5.343 433 1HB SER 60 1HB SER 60 14.867 19.566 -3.124 434 2HB SER 60 2HB SER 60 16.014 18.434 -2.372 435 HG SER 60 HG SER 60 16.517 20.780 -3.580 436 H ASP 61 H ASP 61 15.656 15.435 -4.023 437 HA ASP 61 HA ASP 61 18.546 15.216 -4.211 438 1HB ASP 61 1HB ASP 61 16.690 12.839 -3.994 439 2HB ASP 61 2HB ASP 61 18.297 13.085 -3.336 440 H CYS 62 H CYS 62 15.672 13.725 -5.764 441 HA CYS 62 HA CYS 62 17.233 12.539 -7.903 442 1HB CYS 62 1HB CYS 62 14.223 13.037 -7.876 443 2HB CYS 62 2HB CYS 62 15.141 11.884 -8.829 444 H ASP 63 H ASP 63 15.983 15.668 -7.227 445 HA ASP 63 HA ASP 63 15.801 16.561 -10.013 446 1HB ASP 63 1HB ASP 63 14.343 17.623 -8.390 447 2HB ASP 63 2HB ASP 63 15.732 17.978 -7.327 448 H ARG 64 H ARG 64 18.027 16.878 -7.182 449 HA ARG 64 HA ARG 64 19.759 18.685 -8.266 450 1HB ARG 64 1HB ARG 64 20.874 18.273 -6.345 451 2HB ARG 64 2HB ARG 64 19.723 16.995 -6.043 452 1HG ARG 64 1HG ARG 64 21.095 15.315 -7.136 453 2HG ARG 64 2HG ARG 64 22.329 16.554 -7.420 454 1HD ARG 64 1HD ARG 64 22.661 15.052 -5.457 455 2HD ARG 64 2HD ARG 64 22.992 16.801 -5.357 456 HE ARG 64 HE ARG 64 20.312 15.897 -4.568 457 1HH1 ARG 64 2HH2 ARG 64 23.475 16.768 -3.497 458 2HH1 ARG 64 1HH2 ARG 64 22.981 17.096 -1.858 459 1HH2 ARG 64 2HH1 ARG 64 19.660 16.278 -2.457 460 2HH2 ARG 64 1HH1 ARG 64 20.803 16.792 -1.278 461 HA PRO 65 HA PRO 65 21.905 16.648 -11.430 462 1HB PRO 65 1HB PRO 65 24.489 17.680 -11.232 463 2HB PRO 65 2HB PRO 65 23.069 18.460 -11.997 464 1HG PRO 65 1HG PRO 65 24.347 19.071 -9.378 465 2HG PRO 65 2HG PRO 65 23.280 20.100 -10.393 466 1HD PRO 65 1HD PRO 65 22.579 18.616 -8.056 467 2HD PRO 65 2HD PRO 65 21.495 19.559 -9.099 468 HA PRO 66 HA PRO 66 23.861 13.143 -9.505 469 1HB PRO 66 1HB PRO 66 24.443 11.708 -11.837 470 2HB PRO 66 2HB PRO 66 22.836 11.771 -11.026 471 1HG PRO 66 1HG PRO 66 23.679 13.057 -13.552 472 2HG PRO 66 2HG PRO 66 22.046 12.647 -12.921 473 1HD PRO 66 1HD PRO 66 23.345 15.217 -12.909 474 2HD PRO 66 2HD PRO 66 21.784 14.760 -12.173 475 H LYS 67 H LYS 67 25.894 11.823 -9.740 476 HA LYS 67 HA LYS 67 28.085 13.506 -10.763 477 1HB LYS 67 1HB LYS 67 27.938 14.073 -8.455 478 2HB LYS 67 2HB LYS 67 27.920 12.391 -7.982 479 1HG LYS 67 1HG LYS 67 30.205 12.487 -7.807 480 2HG LYS 67 2HG LYS 67 30.301 12.667 -9.555 481 1HD LYS 67 1HD LYS 67 29.791 15.168 -9.102 482 2HD LYS 67 2HD LYS 67 30.407 14.816 -7.493 483 1HE LYS 67 1HE LYS 67 32.541 14.027 -8.396 484 2HE LYS 67 2HE LYS 67 31.872 13.980 -10.042 485 1HZ LYS 67 1HZ LYS 67 32.889 15.955 -10.152 486 2HZ LYS 67 2HZ LYS 67 31.448 16.433 -9.646 487 3HZ LYS 67 3HZ LYS 67 32.703 16.346 -8.544 488 H HIS 68 H HIS 68 27.368 11.689 -12.428 489 HA HIS 68 HA HIS 68 28.553 9.030 -11.686 490 1HB HIS 68 1HB HIS 68 26.440 9.142 -12.950 491 2HB HIS 68 2HB HIS 68 27.227 10.023 -14.237 492 HD1 HIS 68 HD1 HIS 68 28.351 8.664 -16.033 493 HD2 HIS 68 HD2 HIS 68 27.369 6.441 -12.593 494 HE1 HIS 68 HE1 HIS 68 28.852 6.163 -16.588 495 HE2 HIS 68 HE2 HIS 68 28.233 4.809 -14.489 496 H SER 69 H SER 69 30.137 8.029 -13.144 497 HA SER 69 HA SER 69 31.720 9.693 -14.886 498 1HB SER 69 1HB SER 69 32.372 9.794 -12.088 499 2HB SER 69 2HB SER 69 33.645 8.885 -12.924 500 HG SER 69 HG SER 69 34.310 10.801 -13.516 501 H LYS 70 H LYS 70 33.876 8.375 -15.349 502 HA LYS 70 HA LYS 70 33.109 5.794 -16.247 503 1HB LYS 70 1HB LYS 70 35.631 5.696 -16.691 504 2HB LYS 70 2HB LYS 70 34.672 6.836 -17.619 505 1HG LYS 70 1HG LYS 70 35.485 8.685 -16.439 506 2HG LYS 70 2HG LYS 70 35.970 7.731 -15.036 507 1HD LYS 70 1HD LYS 70 37.707 6.597 -16.608 508 2HD LYS 70 2HD LYS 70 37.366 7.932 -17.724 509 1HE LYS 70 1HE LYS 70 39.262 8.607 -16.418 510 2HE LYS 70 2HE LYS 70 37.883 9.524 -15.787 511 1HZ LYS 70 1HZ LYS 70 38.983 7.028 -14.587 512 2HZ LYS 70 2HZ LYS 70 39.160 8.543 -13.963 513 3HZ LYS 70 3HZ LYS 70 37.688 7.810 -14.017 514 H ASP 71 H ASP 71 32.340 5.012 -14.157 515 HA ASP 71 HA ASP 71 34.051 3.089 -12.994 516 1HB ASP 71 1HB ASP 71 34.133 5.794 -11.794 517 2HB ASP 71 2HB ASP 71 33.482 4.637 -10.649 518 H GLY 72 H GLY 72 31.326 5.346 -12.359 519 1HA GLY 72 1HA GLY 72 29.070 4.500 -12.359 520 2HA GLY 72 2HA GLY 72 29.645 3.008 -11.557 521 H ASN 73 H ASN 73 30.716 3.436 -9.430 522 HA ASN 73 HA ASN 73 29.403 5.630 -7.932 523 1HB ASN 73 1HB ASN 73 29.428 3.856 -6.024 524 2HB ASN 73 2HB ASN 73 28.189 3.705 -7.139 525 1HD2 ASN 73 1HD2 ASN 73 30.465 2.087 -5.550 526 2HD2 ASN 73 2HD2 ASN 73 30.585 0.652 -6.627 527 H GLY 74 H GLY 74 31.634 6.442 -8.722 528 1HA GLY 74 1HA GLY 74 34.036 5.458 -7.562 529 2HA GLY 74 2HA GLY 74 33.733 7.132 -8.094 530 H LYS 75 H LYS 75 33.758 8.644 -6.568 531 HA LYS 75 HA LYS 75 34.216 7.946 -3.778 532 1HB LYS 75 1HB LYS 75 33.744 10.533 -5.326 533 2HB LYS 75 2HB LYS 75 33.705 10.557 -3.558 534 1HG LYS 75 1HG LYS 75 36.018 9.085 -4.042 535 2HG LYS 75 2HG LYS 75 36.019 10.261 -5.367 536 1HD LYS 75 1HD LYS 75 35.688 12.087 -3.686 537 2HD LYS 75 2HD LYS 75 35.701 10.888 -2.385 538 1HE LYS 75 1HE LYS 75 37.933 10.948 -2.282 539 2HE LYS 75 2HE LYS 75 38.032 10.361 -3.945 540 1HZ LYS 75 1HZ LYS 75 38.560 12.404 -4.663 541 2HZ LYS 75 2HZ LYS 75 37.376 13.141 -3.789 542 3HZ LYS 75 3HZ LYS 75 38.830 12.821 -3.094 543 H THR 76 H THR 76 31.797 10.338 -4.247 544 HA THR 76 HA THR 76 29.824 8.542 -2.868 545 HB THR 76 HB THR 76 30.979 10.769 -1.776 546 HG1 THR 76 HG1 THR 76 29.851 9.571 -0.439 547 1HG2 THR 76 1HG2 THR 76 28.199 11.710 -2.343 548 2HG2 THR 76 2HG2 THR 76 29.571 12.658 -1.789 549 3HG2 THR 76 3HG2 THR 76 29.484 12.145 -3.495 550 H ASP 77 H ASP 77 30.409 9.219 -5.828 551 HA ASP 77 HA ASP 77 28.780 10.799 -7.104 552 1HB ASP 77 1HB ASP 77 28.984 7.800 -7.621 553 2HB ASP 77 2HB ASP 77 28.409 8.990 -8.747 554 H HIS 78 H HIS 78 26.732 11.426 -6.610 555 HA HIS 78 HA HIS 78 24.876 9.458 -5.420 556 1HB HIS 78 1HB HIS 78 23.391 11.603 -5.318 557 2HB HIS 78 2HB HIS 78 24.710 11.401 -4.198 558 HD1 HIS 78 HD1 HIS 78 23.428 13.721 -6.734 559 HD2 HIS 78 HD2 HIS 78 27.116 12.781 -4.915 560 HE1 HIS 78 HE1 HIS 78 24.965 15.780 -7.088 561 HE2 HIS 78 HE2 HIS 78 27.227 15.178 -6.011 562 H TYR 79 H TYR 79 25.811 9.517 -8.254 563 HA TYR 79 HA TYR 79 23.946 10.281 -10.122 564 1HB TYR 79 1HB TYR 79 24.967 8.640 -11.477 565 2HB TYR 79 2HB TYR 79 26.239 9.279 -10.479 566 HD1 TYR 79 HD1 TYR 79 24.537 6.268 -11.544 567 HD2 TYR 79 HD2 TYR 79 26.759 7.920 -8.379 568 HE1 TYR 79 HE1 TYR 79 25.207 4.028 -10.777 569 HE2 TYR 79 HE2 TYR 79 27.298 5.697 -7.463 570 HH TYR 79 HH TYR 79 26.348 3.369 -7.782 571 H LEU 80 H LEU 80 21.999 9.473 -10.904 572 HA LEU 80 HA LEU 80 20.556 7.763 -9.051 573 1HB LEU 80 1HB LEU 80 20.033 9.234 -11.643 574 2HB LEU 80 2HB LEU 80 18.969 7.926 -11.201 575 HG LEU 80 HG LEU 80 19.400 9.677 -8.889 576 1HD1 LEU 80 1HD1 LEU 80 18.837 10.993 -11.484 577 2HD1 LEU 80 2HD1 LEU 80 17.635 11.349 -10.256 578 3HD1 LEU 80 3HD1 LEU 80 19.332 11.667 -9.911 579 1HD2 LEU 80 1HD2 LEU 80 17.503 7.915 -9.769 580 2HD2 LEU 80 2HD2 LEU 80 17.325 8.994 -8.451 581 3HD2 LEU 80 3HD2 LEU 80 16.696 9.505 -9.977 582 H LEU 81 H LEU 81 19.593 5.703 -9.579 583 HA LEU 81 HA LEU 81 20.962 4.295 -11.779 584 1HB LEU 81 1HB LEU 81 20.816 3.326 -8.918 585 2HB LEU 81 2HB LEU 81 21.294 2.328 -10.292 586 HG LEU 81 HG LEU 81 23.038 4.253 -10.654 587 1HD1 LEU 81 1HD1 LEU 81 22.798 4.370 -7.611 588 2HD1 LEU 81 2HD1 LEU 81 23.759 5.383 -8.683 589 3HD1 LEU 81 3HD1 LEU 81 22.026 5.537 -8.644 590 1HD2 LEU 81 1HD2 LEU 81 23.041 1.803 -8.937 591 2HD2 LEU 81 2HD2 LEU 81 24.032 2.309 -10.324 592 3HD2 LEU 81 3HD2 LEU 81 24.339 2.916 -8.684 593 H GLU 82 H GLU 82 19.597 3.256 -13.040 594 HA GLU 82 HA GLU 82 16.847 2.928 -12.007 595 1HB GLU 82 1HB GLU 82 16.135 2.761 -14.269 596 2HB GLU 82 2HB GLU 82 17.270 4.132 -14.163 597 1HG GLU 82 1HG GLU 82 18.427 1.584 -14.935 598 2HG GLU 82 2HG GLU 82 17.306 2.213 -16.056 599 H PHE 83 H PHE 83 15.722 0.998 -12.085 600 HA PHE 83 HA PHE 83 17.323 -1.387 -12.791 601 1HB PHE 83 1HB PHE 83 17.326 -0.697 -10.274 602 2HB PHE 83 2HB PHE 83 15.667 -1.286 -10.314 603 HD1 PHE 83 HD1 PHE 83 15.272 -3.343 -9.406 604 HD2 PHE 83 HD2 PHE 83 18.818 -2.579 -11.650 605 HE1 PHE 83 HE1 PHE 83 16.041 -5.704 -9.075 606 HE2 PHE 83 HE2 PHE 83 19.606 -4.951 -11.244 607 HZ PHE 83 HZ PHE 83 18.231 -6.393 -9.904 608 HA PRO 84 HA PRO 84 13.412 -2.493 -14.570 609 1HB PRO 84 1HB PRO 84 14.023 -5.085 -15.347 610 2HB PRO 84 2HB PRO 84 14.453 -3.610 -16.258 611 1HG PRO 84 1HG PRO 84 16.205 -5.365 -14.627 612 2HG PRO 84 2HG PRO 84 16.628 -4.206 -15.926 613 1HD PRO 84 1HD PRO 84 16.863 -3.856 -13.099 614 2HD PRO 84 2HD PRO 84 17.157 -2.644 -14.382 615 H THR 85 H THR 85 11.738 -2.681 -13.311 616 HA THR 85 HA THR 85 11.743 -4.839 -11.278 617 HB THR 85 HB THR 85 11.502 -2.766 -10.203 618 HG1 THR 85 HG1 THR 85 8.914 -3.656 -10.761 619 1HG2 THR 85 1HG2 THR 85 10.948 -1.048 -11.678 620 2HG2 THR 85 2HG2 THR 85 9.736 -1.987 -12.531 621 3HG2 THR 85 3HG2 THR 85 9.356 -1.336 -10.937 622 H PHE 86 H PHE 86 10.767 -6.595 -11.952 623 HA PHE 86 HA PHE 86 8.724 -6.479 -14.028 624 1HB PHE 86 1HB PHE 86 9.838 -8.767 -12.337 625 2HB PHE 86 2HB PHE 86 8.800 -8.980 -13.733 626 HD1 PHE 86 HD1 PHE 86 12.168 -7.802 -12.644 627 HD2 PHE 86 HD2 PHE 86 9.635 -8.902 -15.977 628 HE1 PHE 86 HE1 PHE 86 14.137 -7.764 -14.182 629 HE2 PHE 86 HE2 PHE 86 11.633 -8.938 -17.461 630 HZ PHE 86 HZ PHE 86 13.892 -8.390 -16.486 631 HA PRO 87 HA PRO 87 5.239 -6.649 -11.344 632 1HB PRO 87 1HB PRO 87 3.455 -8.170 -12.874 633 2HB PRO 87 2HB PRO 87 3.830 -6.452 -13.144 634 1HG PRO 87 1HG PRO 87 4.672 -8.751 -14.761 635 2HG PRO 87 2HG PRO 87 4.583 -7.006 -15.183 636 1HD PRO 87 1HD PRO 87 6.892 -8.535 -14.498 637 2HD PRO 87 2HD PRO 87 6.808 -6.789 -14.806 638 H ASP 88 H ASP 88 5.942 -9.832 -12.886 639 HA ASP 88 HA ASP 88 4.700 -11.593 -11.235 640 1HB ASP 88 1HB ASP 88 7.613 -11.988 -11.766 641 2HB ASP 88 2HB ASP 88 6.340 -13.191 -11.782 642 H GLY 89 H GLY 89 7.401 -9.513 -10.455 643 1HA GLY 89 1HA GLY 89 8.151 -8.816 -8.379 644 2HA GLY 89 2HA GLY 89 7.105 -10.056 -7.618 645 H HIS 90 H HIS 90 8.930 -11.333 -10.133 646 HA HIS 90 HA HIS 90 10.506 -12.903 -8.255 647 1HB HIS 90 1HB HIS 90 11.137 -14.231 -10.117 648 2HB HIS 90 2HB HIS 90 9.420 -13.881 -10.269 649 HD1 HIS 90 HD1 HIS 90 8.737 -13.337 -12.659 650 HD2 HIS 90 HD2 HIS 90 12.695 -12.226 -11.770 651 HE1 HIS 90 HE1 HIS 90 9.670 -12.304 -14.800 652 HE2 HIS 90 HE2 HIS 90 12.104 -11.571 -14.240 653 H ASP 91 H ASP 91 12.653 -12.497 -7.611 654 HA ASP 91 HA ASP 91 13.861 -10.100 -8.299 655 1HB ASP 91 1HB ASP 91 15.810 -11.537 -7.310 656 2HB ASP 91 2HB ASP 91 14.581 -10.823 -6.281 657 H TYR 92 H TYR 92 14.000 -9.980 -10.570 658 HA TYR 92 HA TYR 92 14.793 -11.689 -12.441 659 1HB TYR 92 1HB TYR 92 14.377 -9.367 -12.814 660 2HB TYR 92 2HB TYR 92 15.771 -8.864 -11.916 661 HD1 TYR 92 HD1 TYR 92 17.201 -7.750 -13.392 662 HD2 TYR 92 HD2 TYR 92 15.422 -11.481 -14.617 663 HE1 TYR 92 HE1 TYR 92 18.668 -7.784 -15.445 664 HE2 TYR 92 HE2 TYR 92 16.895 -11.437 -16.640 665 HH TYR 92 HH TYR 92 17.981 -9.857 -18.054 666 H LYS 93 H LYS 93 16.651 -12.656 -13.263 667 HA LYS 93 HA LYS 93 18.768 -13.078 -11.308 668 1HB LYS 93 1HB LYS 93 19.686 -14.552 -13.148 669 2HB LYS 93 2HB LYS 93 18.123 -15.005 -12.445 670 1HG LYS 93 1HG LYS 93 16.893 -14.312 -14.338 671 2HG LYS 93 2HG LYS 93 18.194 -13.284 -14.954 672 1HD LYS 93 1HD LYS 93 17.859 -15.415 -16.241 673 2HD LYS 93 2HD LYS 93 19.505 -15.167 -15.613 674 1HE LYS 93 1HE LYS 93 17.675 -16.623 -13.797 675 2HE LYS 93 2HE LYS 93 18.013 -17.476 -15.307 676 1HZ LYS 93 1HZ LYS 93 20.209 -17.680 -14.761 677 2HZ LYS 93 2HZ LYS 93 20.291 -16.273 -13.926 678 3HZ LYS 93 3HZ LYS 93 19.642 -17.585 -13.204 679 H PHE 94 H PHE 94 18.950 -10.572 -11.515 680 HA PHE 94 HA PHE 94 20.543 -9.580 -13.713 681 1HB PHE 94 1HB PHE 94 20.722 -7.564 -12.192 682 2HB PHE 94 2HB PHE 94 19.101 -8.038 -12.586 683 HD1 PHE 94 HD1 PHE 94 21.642 -8.030 -9.896 684 HD2 PHE 94 HD2 PHE 94 17.567 -8.814 -10.922 685 HE1 PHE 94 HE1 PHE 94 21.050 -8.217 -7.472 686 HE2 PHE 94 HE2 PHE 94 16.963 -9.087 -8.525 687 HZ PHE 94 HZ PHE 94 18.716 -8.763 -6.806 688 H ASP 95 H ASP 95 21.225 -11.559 -11.078 689 HA ASP 95 HA ASP 95 23.916 -10.478 -10.588 690 1HB ASP 95 1HB ASP 95 22.170 -11.635 -8.893 691 2HB ASP 95 2HB ASP 95 22.870 -13.120 -9.537 692 H SER 96 H SER 96 22.242 -13.202 -12.141 693 HA SER 96 HA SER 96 24.751 -14.548 -12.806 694 1HB SER 96 1HB SER 96 21.986 -15.251 -13.839 695 2HB SER 96 2HB SER 96 23.425 -16.280 -13.725 696 HG SER 96 HG SER 96 23.053 -15.537 -11.299 697 H LYS 97 H LYS 97 25.933 -13.670 -14.342 698 HA LYS 97 HA LYS 97 24.957 -11.949 -16.389 699 1HB LYS 97 1HB LYS 97 27.143 -11.868 -17.163 700 2HB LYS 97 2HB LYS 97 27.399 -12.399 -15.502 701 1HG LYS 97 1HG LYS 97 27.562 -14.763 -16.316 702 2HG LYS 97 2HG LYS 97 27.302 -14.171 -17.982 703 1HD LYS 97 1HD LYS 97 29.533 -14.413 -17.973 704 2HD LYS 97 2HD LYS 97 29.292 -12.678 -17.669 705 1HE LYS 97 1HE LYS 97 29.422 -13.246 -15.158 706 2HE LYS 97 2HE LYS 97 29.945 -14.871 -15.633 707 1HZ LYS 97 1HZ LYS 97 31.567 -12.697 -15.341 708 2HZ LYS 97 2HZ LYS 97 31.980 -14.082 -16.140 709 3HZ LYS 97 3HZ LYS 97 31.391 -12.792 -16.969 710 H LYS 98 H LYS 98 25.675 -15.384 -16.522 711 HA LYS 98 HA LYS 98 23.798 -15.544 -18.708 712 1HB LYS 98 1HB LYS 98 25.154 -16.755 -20.198 713 2HB LYS 98 2HB LYS 98 25.930 -15.254 -19.770 714 1HG LYS 98 1HG LYS 98 27.789 -16.507 -19.334 715 2HG LYS 98 2HG LYS 98 26.996 -16.914 -17.836 716 1HD LYS 98 1HD LYS 98 25.843 -18.735 -19.680 717 2HD LYS 98 2HD LYS 98 27.505 -18.579 -20.228 718 1HE LYS 98 1HE LYS 98 28.092 -20.053 -18.612 719 2HE LYS 98 2HE LYS 98 27.714 -18.798 -17.420 720 1HZ LYS 98 1HZ LYS 98 26.039 -20.046 -16.740 721 2HZ LYS 98 2HZ LYS 98 25.311 -19.909 -18.178 722 3HZ LYS 98 3HZ LYS 98 26.310 -21.195 -17.912 723 HA PRO 99 HA PRO 99 22.591 -16.873 -19.610 724 1HB PRO 99 1HB PRO 99 20.042 -17.737 -19.113 725 2HB PRO 99 2HB PRO 99 21.303 -18.601 -20.047 726 1HG PRO 99 1HG PRO 99 20.282 -19.158 -17.308 727 2HG PRO 99 2HG PRO 99 21.127 -20.252 -18.454 728 1HD PRO 99 1HD PRO 99 22.240 -18.890 -16.166 729 2HD PRO 99 2HD PRO 99 23.111 -19.890 -17.359 730 H LYS 100 H LYS 100 20.460 -15.490 -19.722 731 HA LYS 100 HA LYS 100 19.988 -14.020 -17.220 732 1HB LYS 100 1HB LYS 100 20.687 -11.971 -17.914 733 2HB LYS 100 2HB LYS 100 21.923 -13.014 -18.539 734 1HG LYS 100 1HG LYS 100 21.624 -12.204 -20.614 735 2HG LYS 100 2HG LYS 100 20.068 -12.924 -20.680 736 1HD LYS 100 1HD LYS 100 19.389 -10.744 -20.982 737 2HD LYS 100 2HD LYS 100 19.311 -10.858 -19.235 738 1HE LYS 100 1HE LYS 100 20.480 -8.818 -19.725 739 2HE LYS 100 2HE LYS 100 21.628 -9.980 -19.036 740 1HZ LYS 100 1HZ LYS 100 21.724 -10.500 -21.685 741 2HZ LYS 100 2HZ LYS 100 21.564 -8.862 -21.676 742 3HZ LYS 100 3HZ LYS 100 22.814 -9.575 -20.864 743 H GLU 101 H GLU 101 17.996 -13.023 -17.138 744 HA GLU 101 HA GLU 101 16.139 -14.027 -19.193 745 1HB GLU 101 1HB GLU 101 15.931 -13.792 -16.411 746 2HB GLU 101 2HB GLU 101 15.046 -12.384 -16.960 747 1HG GLU 101 1HG GLU 101 13.575 -14.311 -16.656 748 2HG GLU 101 2HG GLU 101 13.577 -13.719 -18.326 749 H ASN 102 H ASN 102 14.199 -12.469 -19.617 750 HA ASN 102 HA ASN 102 15.424 -10.310 -21.089 751 1HB ASN 102 1HB ASN 102 12.834 -11.704 -21.037 752 2HB ASN 102 2HB ASN 102 12.604 -9.954 -21.074 753 1HD2 ASN 102 1HD2 ASN 102 11.730 -10.152 -23.140 754 2HD2 ASN 102 2HD2 ASN 102 12.807 -10.362 -24.532 755 HA PRO 103 HA PRO 103 14.810 -7.220 -17.976 756 1HB PRO 103 1HB PRO 103 15.105 -4.931 -19.575 757 2HB PRO 103 2HB PRO 103 16.417 -5.930 -18.915 758 1HG PRO 103 1HG PRO 103 15.353 -5.777 -21.693 759 2HG PRO 103 2HG PRO 103 16.963 -6.325 -21.116 760 1HD PRO 103 1HD PRO 103 14.729 -7.950 -21.911 761 2HD PRO 103 2HD PRO 103 16.292 -8.477 -21.235 762 H GLY 104 H GLY 104 13.623 -4.716 -18.353 763 1HA GLY 104 1HA GLY 104 10.920 -5.249 -19.320 764 2HA GLY 104 2HA GLY 104 11.091 -4.850 -17.585 765 HA PRO 105 HA PRO 105 11.094 -0.983 -20.282 766 1HB PRO 105 1HB PRO 105 8.408 -0.230 -20.054 767 2HB PRO 105 2HB PRO 105 9.124 -1.112 -21.431 768 1HG PRO 105 1HG PRO 105 7.363 -2.132 -19.272 769 2HG PRO 105 2HG PRO 105 7.689 -2.827 -20.889 770 1HD PRO 105 1HD PRO 105 8.786 -3.657 -18.363 771 2HD PRO 105 2HD PRO 105 9.198 -4.261 -19.990 772 H ALA 106 H ALA 106 8.716 -1.336 -17.586 773 HA ALA 106 HA ALA 106 9.353 1.187 -16.444 774 1HB ALA 106 1HB ALA 106 8.093 0.348 -14.531 775 2HB ALA 106 2HB ALA 106 7.332 0.011 -16.109 776 3HB ALA 106 3HB ALA 106 8.191 -1.278 -15.202 777 H ARG 107 H ARG 107 10.712 1.800 -14.879 778 HA ARG 107 HA ARG 107 12.357 -0.226 -13.581 779 1HB ARG 107 1HB ARG 107 13.464 2.075 -15.283 780 2HB ARG 107 2HB ARG 107 14.413 1.216 -14.074 781 1HG ARG 107 1HG ARG 107 13.332 -0.849 -15.625 782 2HG ARG 107 2HG ARG 107 13.589 0.375 -16.800 783 1HD ARG 107 1HD ARG 107 15.908 0.096 -14.987 784 2HD ARG 107 2HD ARG 107 15.438 -1.449 -15.666 785 HE ARG 107 HE ARG 107 16.616 0.745 -17.086 786 1HH1 ARG 107 2HH2 ARG 107 14.481 -1.967 -17.452 787 2HH1 ARG 107 1HH2 ARG 107 14.719 -2.180 -19.109 788 1HH2 ARG 107 2HH1 ARG 107 17.003 0.451 -19.307 789 2HH2 ARG 107 1HH1 ARG 107 16.215 -0.866 -20.130 790 H VAL 108 H VAL 108 13.225 0.364 -11.640 791 HA VAL 108 HA VAL 108 11.864 2.640 -10.362 792 HB VAL 108 HB VAL 108 11.883 0.527 -9.224 793 1HG1 VAL 108 1HG1 VAL 108 13.623 -0.839 -9.544 794 2HG1 VAL 108 2HG1 VAL 108 14.741 0.472 -9.883 795 3HG1 VAL 108 3HG1 VAL 108 14.434 0.058 -8.236 796 1HG2 VAL 108 1HG2 VAL 108 12.038 1.519 -7.220 797 2HG2 VAL 108 2HG2 VAL 108 13.757 1.904 -7.395 798 3HG2 VAL 108 3HG2 VAL 108 12.535 2.980 -8.084 799 H ILE 109 H ILE 109 12.725 4.560 -10.101 800 HA ILE 109 HA ILE 109 15.669 4.893 -10.531 801 HB ILE 109 HB ILE 109 13.360 6.833 -10.875 802 1HG1 ILE 109 1HG1 ILE 109 13.214 5.444 -12.730 803 2HG1 ILE 109 2HG1 ILE 109 14.324 6.746 -13.290 804 1HG2 ILE 109 1HG2 ILE 109 15.271 7.958 -10.140 805 2HG2 ILE 109 2HG2 ILE 109 16.305 7.124 -11.352 806 3HG2 ILE 109 3HG2 ILE 109 15.058 8.329 -11.805 807 1HD1 ILE 109 1HD1 ILE 109 15.197 4.766 -14.060 808 2HD1 ILE 109 2HD1 ILE 109 16.198 5.186 -12.622 809 3HD1 ILE 109 3HD1 ILE 109 14.942 3.925 -12.574 810 H TYR 110 H TYR 110 16.950 5.889 -9.146 811 HA TYR 110 HA TYR 110 15.913 7.247 -6.822 812 1HB TYR 110 1HB TYR 110 16.646 5.578 -5.216 813 2HB TYR 110 2HB TYR 110 15.489 4.833 -6.293 814 HD1 TYR 110 HD1 TYR 110 16.009 2.786 -7.359 815 HD2 TYR 110 HD2 TYR 110 19.222 5.232 -5.895 816 HE1 TYR 110 HE1 TYR 110 17.683 0.986 -7.867 817 HE2 TYR 110 HE2 TYR 110 20.856 3.534 -6.429 818 HH TYR 110 HH TYR 110 19.883 0.274 -7.311 819 H THR 111 H THR 111 17.553 8.210 -5.617 820 HA THR 111 HA THR 111 20.079 8.563 -7.096 821 HB THR 111 HB THR 111 20.236 10.565 -5.960 822 HG1 THR 111 HG1 THR 111 18.932 9.163 -3.910 823 1HG2 THR 111 1HG2 THR 111 18.147 11.650 -5.897 824 2HG2 THR 111 2HG2 THR 111 17.821 10.330 -6.999 825 3HG2 THR 111 3HG2 THR 111 17.289 10.215 -5.335 826 H TYR 112 H TYR 112 22.140 8.639 -5.905 827 HA TYR 112 HA TYR 112 22.191 6.413 -3.980 828 1HB TYR 112 1HB TYR 112 23.283 5.715 -5.853 829 2HB TYR 112 2HB TYR 112 24.017 7.284 -6.161 830 HD1 TYR 112 HD1 TYR 112 24.725 4.042 -5.104 831 HD2 TYR 112 HD2 TYR 112 25.727 8.108 -4.160 832 HE1 TYR 112 HE1 TYR 112 26.834 3.307 -3.929 833 HE2 TYR 112 HE2 TYR 112 27.773 7.422 -3.080 834 HH TYR 112 HH TYR 112 29.350 5.157 -3.422 835 HA PRO 113 HA PRO 113 23.805 5.496 -2.794 836 1HB PRO 113 1HB PRO 113 24.075 5.094 -0.114 837 2HB PRO 113 2HB PRO 113 25.425 5.253 -1.276 838 1HG PRO 113 1HG PRO 113 24.451 7.215 0.737 839 2HG PRO 113 2HG PRO 113 26.052 7.108 -0.064 840 1HD PRO 113 1HD PRO 113 23.900 8.931 -0.715 841 2HD PRO 113 2HD PRO 113 25.420 8.710 -1.592 842 H ASN 114 H ASN 114 22.243 7.286 -0.167 843 HA ASN 114 HA ASN 114 20.219 5.579 0.468 844 1HB ASN 114 1HB ASN 114 20.757 8.258 1.024 845 2HB ASN 114 2HB ASN 114 19.365 8.431 0.006 846 1HD2 ASN 114 1HD2 ASN 114 17.677 8.826 1.254 847 2HD2 ASN 114 2HD2 ASN 114 17.264 7.865 2.676 848 H LYS 115 H LYS 115 18.939 4.445 -0.877 849 HA LYS 115 HA LYS 115 18.368 5.206 -3.557 850 1HB LYS 115 1HB LYS 115 17.793 2.947 -1.743 851 2HB LYS 115 2HB LYS 115 16.489 3.173 -2.881 852 1HG LYS 115 1HG LYS 115 17.634 2.585 -4.659 853 2HG LYS 115 2HG LYS 115 19.166 3.322 -4.099 854 1HD LYS 115 1HD LYS 115 17.999 0.659 -3.261 855 2HD LYS 115 2HD LYS 115 19.340 0.928 -4.356 856 1HE LYS 115 1HE LYS 115 20.725 0.907 -2.509 857 2HE LYS 115 2HE LYS 115 20.071 2.503 -2.166 858 1HZ LYS 115 1HZ LYS 115 19.376 -0.082 -1.009 859 2HZ LYS 115 2HZ LYS 115 19.585 1.379 -0.247 860 3HZ LYS 115 3HZ LYS 115 18.200 1.078 -1.093 861 H VAL 116 H VAL 116 17.683 7.367 -2.908 862 HA VAL 116 HA VAL 116 15.164 7.835 -1.640 863 HB VAL 116 HB VAL 116 16.957 9.532 -3.399 864 1HG1 VAL 116 1HG1 VAL 116 14.161 10.046 -2.506 865 2HG1 VAL 116 2HG1 VAL 116 15.300 11.378 -2.214 866 3HG1 VAL 116 3HG1 VAL 116 15.094 10.745 -3.839 867 1HG2 VAL 116 1HG2 VAL 116 16.422 9.386 -0.438 868 2HG2 VAL 116 2HG2 VAL 116 17.959 9.260 -1.343 869 3HG2 VAL 116 3HG2 VAL 116 17.178 10.810 -1.203 870 H PHE 117 H PHE 117 14.061 6.097 -2.815 871 HA PHE 117 HA PHE 117 13.440 5.692 -5.355 872 1HB PHE 117 1HB PHE 117 12.390 4.435 -3.583 873 2HB PHE 117 2HB PHE 117 11.644 5.897 -2.925 874 HD1 PHE 117 HD1 PHE 117 11.695 3.854 -6.077 875 HD2 PHE 117 HD2 PHE 117 9.439 6.401 -3.416 876 HE1 PHE 117 HE1 PHE 117 9.657 3.490 -7.452 877 HE2 PHE 117 HE2 PHE 117 7.405 6.009 -4.749 878 HZ PHE 117 HZ PHE 117 7.574 4.594 -6.825 879 H CYS 118 H CYS 118 13.252 7.165 -6.936 880 HA CYS 118 HA CYS 118 11.950 9.708 -6.419 881 1HB CYS 118 1HB CYS 118 12.890 8.719 -9.119 882 2HB CYS 118 2HB CYS 118 12.675 10.371 -8.548 883 H GLY 119 H GLY 119 11.420 6.755 -8.370 884 1HA GLY 119 1HA GLY 119 8.763 6.407 -8.077 885 2HA GLY 119 2HA GLY 119 8.831 7.636 -9.354 886 H ILE 120 H ILE 120 8.080 6.301 -11.007 887 HA ILE 120 HA ILE 120 9.962 4.108 -11.786 888 HB ILE 120 HB ILE 120 6.965 3.986 -12.123 889 1HG1 ILE 120 1HG1 ILE 120 7.922 3.924 -9.575 890 2HG1 ILE 120 2HG1 ILE 120 6.613 3.034 -10.196 891 1HG2 ILE 120 1HG2 ILE 120 7.394 1.641 -12.607 892 2HG2 ILE 120 2HG2 ILE 120 8.447 2.618 -13.665 893 3HG2 ILE 120 3HG2 ILE 120 9.132 1.836 -12.282 894 1HD1 ILE 120 1HD1 ILE 120 7.931 1.049 -10.458 895 2HD1 ILE 120 2HD1 ILE 120 9.404 1.995 -10.029 896 3HD1 ILE 120 3HD1 ILE 120 8.083 1.721 -8.842 897 H ILE 121 H ILE 121 10.517 4.129 -13.874 898 HA ILE 121 HA ILE 121 9.116 6.117 -15.615 899 HB ILE 121 HB ILE 121 11.103 6.968 -16.412 900 1HG1 ILE 121 1HG1 ILE 121 12.712 4.816 -14.934 901 2HG1 ILE 121 2HG1 ILE 121 12.337 4.752 -16.635 902 1HG2 ILE 121 1HG2 ILE 121 11.415 8.262 -14.611 903 2HG2 ILE 121 2HG2 ILE 121 10.647 7.123 -13.594 904 3HG2 ILE 121 3HG2 ILE 121 12.356 7.021 -13.852 905 1HD1 ILE 121 1HD1 ILE 121 13.450 7.294 -16.359 906 2HD1 ILE 121 2HD1 ILE 121 14.438 6.254 -15.363 907 3HD1 ILE 121 3HD1 ILE 121 14.206 5.869 -17.063 908 H ALA 122 H ALA 122 9.267 5.674 -17.868 909 HA ALA 122 HA ALA 122 10.397 3.333 -18.982 910 1HB ALA 122 1HB ALA 122 8.935 1.692 -18.574 911 2HB ALA 122 2HB ALA 122 8.156 2.696 -17.363 912 3HB ALA 122 3HB ALA 122 7.524 2.650 -19.008 913 H HIS 123 H HIS 123 9.675 2.989 -21.188 914 HA HIS 123 HA HIS 123 8.706 5.502 -22.345 915 1HB HIS 123 1HB HIS 123 9.619 3.190 -24.076 916 2HB HIS 123 2HB HIS 123 9.811 4.898 -24.302 917 HD1 HIS 123 HD1 HIS 123 12.140 5.835 -23.762 918 HD2 HIS 123 HD2 HIS 123 11.286 2.115 -21.936 919 HE1 HIS 123 HE1 HIS 123 14.322 5.071 -22.613 920 HE2 HIS 123 HE2 HIS 123 13.752 2.822 -21.433 921 H THR 124 H THR 124 6.558 5.529 -22.019 922 HA THR 124 HA THR 124 4.972 3.217 -23.041 923 HB THR 124 HB THR 124 4.675 4.232 -20.696 924 HG1 THR 124 HG1 THR 124 3.254 2.805 -21.857 925 1HG2 THR 124 1HG2 THR 124 3.808 6.269 -20.411 926 2HG2 THR 124 2HG2 THR 124 4.172 6.603 -22.123 927 3HG2 THR 124 3HG2 THR 124 2.582 6.031 -21.665 928 H LYS 125 H LYS 125 6.209 4.535 -24.990 929 HA LYS 125 HA LYS 125 4.041 6.231 -26.244 930 1HB LYS 125 1HB LYS 125 6.093 7.468 -25.893 931 2HB LYS 125 2HB LYS 125 7.035 6.245 -26.773 932 1HG LYS 125 1HG LYS 125 5.996 6.754 -28.837 933 2HG LYS 125 2HG LYS 125 4.643 7.599 -28.082 934 1HD LYS 125 1HD LYS 125 5.711 9.570 -28.040 935 2HD LYS 125 2HD LYS 125 7.175 8.892 -27.344 936 1HE LYS 125 1HE LYS 125 6.441 8.642 -30.296 937 2HE LYS 125 2HE LYS 125 7.464 9.932 -29.624 938 1HZ LYS 125 1HZ LYS 125 8.028 7.048 -29.769 939 2HZ LYS 125 2HZ LYS 125 8.972 8.309 -30.269 940 3HZ LYS 125 3HZ LYS 125 8.792 8.021 -28.667 941 H GLU 126 H GLU 126 5.928 3.300 -26.450 942 HA GLU 126 HA GLU 126 4.174 2.180 -28.323 943 1HB GLU 126 1HB GLU 126 6.236 3.806 -29.532 944 2HB GLU 126 2HB GLU 126 6.686 2.144 -29.815 945 1HG GLU 126 1HG GLU 126 3.926 3.302 -30.395 946 2HG GLU 126 2HG GLU 126 5.215 3.115 -31.589 947 H ASN 127 H ASN 127 7.697 2.013 -27.776 948 HA ASN 127 HA ASN 127 7.427 -0.450 -26.231 949 1HB ASN 127 1HB ASN 127 7.433 -1.273 -28.597 950 2HB ASN 127 2HB ASN 127 8.929 -0.376 -28.895 951 1HD2 ASN 127 1HD2 ASN 127 9.959 -2.318 -29.467 952 2HD2 ASN 127 2HD2 ASN 127 10.494 -3.439 -28.197 953 H GLN 128 H GLN 128 9.626 1.729 -27.979 954 HA GLN 128 HA GLN 128 11.096 2.281 -25.583 955 1HB GLN 128 1HB GLN 128 12.061 0.225 -27.476 956 2HB GLN 128 2HB GLN 128 13.222 1.531 -27.325 957 1HG GLN 128 1HG GLN 128 12.529 1.149 -24.674 958 2HG GLN 128 2HG GLN 128 12.434 -0.487 -25.326 959 1HE2 GLN 128 1HE2 GLN 128 14.367 1.534 -23.776 960 2HE2 GLN 128 2HE2 GLN 128 15.951 1.010 -24.430 961 H GLY 129 H GLY 129 10.123 4.292 -26.157 962 1HA GLY 129 1HA GLY 129 11.689 5.743 -28.295 963 2HA GLY 129 2HA GLY 129 9.993 6.074 -27.913 964 H GLU 130 H GLU 130 9.531 7.540 -26.304 965 HA GLU 130 HA GLU 130 11.848 8.899 -25.100 966 1HB GLU 130 1HB GLU 130 9.114 9.620 -25.917 967 2HB GLU 130 2HB GLU 130 9.428 10.103 -24.246 968 1HG GLU 130 1HG GLU 130 11.596 11.151 -24.983 969 2HG GLU 130 2HG GLU 130 11.168 10.769 -26.658 970 H LEU 131 H LEU 131 11.758 9.516 -22.785 971 HA LEU 131 HA LEU 131 10.617 7.250 -21.189 972 1HB LEU 131 1HB LEU 131 13.299 8.262 -21.418 973 2HB LEU 131 2HB LEU 131 12.713 8.758 -19.833 974 HG LEU 131 HG LEU 131 12.517 5.919 -20.877 975 1HD1 LEU 131 1HD1 LEU 131 14.895 6.685 -20.727 976 2HD1 LEU 131 2HD1 LEU 131 14.624 7.093 -19.030 977 3HD1 LEU 131 3HD1 LEU 131 14.516 5.403 -19.559 978 1HD2 LEU 131 1HD2 LEU 131 10.923 6.508 -19.100 979 2HD2 LEU 131 2HD2 LEU 131 12.111 5.265 -18.665 980 3HD2 LEU 131 3HD2 LEU 131 12.300 6.972 -18.145 981 H LYS 132 H LYS 132 9.423 7.724 -19.408 982 HA LYS 132 HA LYS 132 9.107 10.503 -18.509 983 1HB LYS 132 1HB LYS 132 6.605 10.260 -18.747 984 2HB LYS 132 2HB LYS 132 7.502 10.594 -20.214 985 1HG LYS 132 1HG LYS 132 7.117 8.524 -21.158 986 2HG LYS 132 2HG LYS 132 7.025 7.682 -19.603 987 1HD LYS 132 1HD LYS 132 4.898 9.702 -20.334 988 2HD LYS 132 2HD LYS 132 4.887 8.116 -21.008 989 1HE LYS 132 1HE LYS 132 4.766 7.036 -18.809 990 2HE LYS 132 2HE LYS 132 5.176 8.552 -18.015 991 1HZ LYS 132 1HZ LYS 132 2.879 8.925 -19.589 992 2HZ LYS 132 2HZ LYS 132 2.629 7.632 -18.613 993 3HZ LYS 132 3HZ LYS 132 3.055 9.076 -17.953 994 H LEU 133 H LEU 133 7.387 10.460 -16.695 995 HA LEU 133 HA LEU 133 8.217 8.286 -14.884 996 1HB LEU 133 1HB LEU 133 8.249 10.828 -14.337 997 2HB LEU 133 2HB LEU 133 6.523 10.720 -14.207 998 HG LEU 133 HG LEU 133 6.978 8.803 -12.496 999 1HD1 LEU 133 1HD1 LEU 133 9.631 9.125 -13.326 1000 2HD1 LEU 133 2HD1 LEU 133 9.562 9.934 -11.783 1001 3HD1 LEU 133 3HD1 LEU 133 9.090 8.245 -11.908 1002 1HD2 LEU 133 1HD2 LEU 133 7.999 11.529 -11.639 1003 2HD2 LEU 133 2HD2 LEU 133 6.303 11.224 -12.011 1004 3HD2 LEU 133 3HD2 LEU 133 7.092 10.339 -10.690 1005 H CYS 134 H CYS 134 6.843 6.792 -14.075 1006 HA CYS 134 HA CYS 134 4.426 6.165 -15.503 1007 1HB CYS 134 1HB CYS 134 5.416 5.036 -12.875 1008 2HB CYS 134 2HB CYS 134 4.301 4.301 -13.947 1009 H SER 135 H SER 135 2.555 5.478 -13.819 1010 HA SER 135 HA SER 135 2.052 7.517 -11.764 1011 1HB SER 135 1HB SER 135 0.416 7.523 -14.352 1012 2HB SER 135 2HB SER 135 0.006 8.415 -12.863 1013 HG SER 135 HG SER 135 1.167 9.624 -14.564 1014 H HIS 136 H HIS 136 1.738 5.729 -10.467 1015 HA HIS 136 HA HIS 136 0.305 3.386 -10.823 1016 1HB HIS 136 1HB HIS 136 -0.493 4.030 -8.370 1017 2HB HIS 136 2HB HIS 136 1.159 3.505 -8.657 1018 HD1 HIS 136 HD1 HIS 136 -0.018 6.950 -9.365 1019 HD2 HIS 136 HD2 HIS 136 2.445 4.775 -6.801 1020 HE1 HIS 136 HE1 HIS 136 1.400 8.737 -8.004 1021 HE2 HIS 136 HE2 HIS 136 2.832 7.331 -6.345 Start of MODEL 19 1 1H ALA 1 H1 ALA 1 0.345 -0.237 -0.195 2 2H ALA 1 H2 ALA 1 1.304 0.944 0.459 3 3H ALA 1 H3 ALA 1 1.669 -0.651 0.686 4 HA ALA 1 HA ALA 1 2.548 1.003 -1.346 5 1HB ALA 1 1HB ALA 1 4.131 -0.602 -1.536 6 2HB ALA 1 2HB ALA 1 3.423 -1.315 -0.102 7 3HB ALA 1 3HB ALA 1 2.946 -1.922 -1.703 8 H VAL 2 H VAL 2 2.145 1.052 -3.581 9 HA VAL 2 HA VAL 2 -0.456 -0.129 -4.384 10 HB VAL 2 HB VAL 2 -0.120 2.274 -4.655 11 1HG1 VAL 2 1HG1 VAL 2 2.165 1.454 -6.435 12 2HG1 VAL 2 2HG1 VAL 2 1.460 3.087 -6.406 13 3HG1 VAL 2 3HG1 VAL 2 2.280 2.464 -4.978 14 1HG2 VAL 2 1HG2 VAL 2 -1.049 2.451 -6.793 15 2HG2 VAL 2 2HG2 VAL 2 -0.108 1.089 -7.431 16 3HG2 VAL 2 3HG2 VAL 2 -1.457 0.801 -6.319 17 H THR 3 H THR 3 -0.605 -1.181 -6.476 18 HA THR 3 HA THR 3 1.719 -2.942 -6.980 19 HB THR 3 HB THR 3 -1.238 -3.088 -7.570 20 HG1 THR 3 HG1 THR 3 -0.780 -4.988 -6.317 21 1HG2 THR 3 1HG2 THR 3 -0.404 -4.031 -9.488 22 2HG2 THR 3 2HG2 THR 3 1.093 -4.631 -8.735 23 3HG2 THR 3 3HG2 THR 3 -0.453 -5.423 -8.369 24 H TRP 4 H TRP 4 3.165 -2.283 -8.450 25 HA TRP 4 HA TRP 4 2.427 -0.373 -10.532 26 1HB TRP 4 1HB TRP 4 5.061 -1.696 -9.794 27 2HB TRP 4 2HB TRP 4 4.806 -0.459 -10.989 28 HD1 TRP 4 HD1 TRP 4 3.881 -0.725 -7.234 29 HE1 TRP 4 HE1 TRP 4 4.449 1.522 -6.119 30 HE3 TRP 4 HE3 TRP 4 5.831 1.747 -11.233 31 HZ2 TRP 4 HZ2 TRP 4 5.680 3.998 -6.787 32 HZ3 TRP 4 HZ3 TRP 4 6.729 4.021 -10.977 33 HH2 TRP 4 HH2 TRP 4 6.690 5.171 -8.767 34 H THR 5 H THR 5 2.244 -0.879 -12.664 35 HA THR 5 HA THR 5 2.729 -3.714 -13.437 36 HB THR 5 HB THR 5 0.228 -2.106 -13.511 37 HG1 THR 5 HG1 THR 5 0.884 -4.828 -13.757 38 1HG2 THR 5 1HG2 THR 5 0.935 -4.052 -15.770 39 2HG2 THR 5 2HG2 THR 5 -0.676 -3.392 -15.406 40 3HG2 THR 5 3HG2 THR 5 0.593 -2.304 -15.973 41 H CYS 6 H CYS 6 3.636 -4.066 -15.299 42 HA CYS 6 HA CYS 6 4.220 -1.684 -17.025 43 1HB CYS 6 1HB CYS 6 6.064 -3.560 -15.685 44 2HB CYS 6 2HB CYS 6 6.282 -3.471 -17.405 45 H GLY 7 H GLY 7 2.031 -2.626 -17.727 46 1HA GLY 7 1HA GLY 7 0.746 -3.919 -19.198 47 2HA GLY 7 2HA GLY 7 2.059 -3.477 -20.303 48 H GLY 8 H GLY 8 1.011 -5.989 -17.980 49 1HA GLY 8 1HA GLY 8 1.468 -8.250 -19.437 50 2HA GLY 8 2HA GLY 8 3.101 -7.846 -18.883 51 H LEU 9 H LEU 9 3.355 -7.447 -16.492 52 HA LEU 9 HA LEU 9 1.447 -9.039 -14.872 53 1HB LEU 9 1HB LEU 9 4.481 -9.253 -14.963 54 2HB LEU 9 2HB LEU 9 3.517 -9.867 -13.628 55 HG LEU 9 HG LEU 9 3.078 -10.788 -16.505 56 1HD1 LEU 9 1HD1 LEU 9 4.996 -11.763 -14.386 57 2HD1 LEU 9 2HD1 LEU 9 4.295 -12.896 -15.559 58 3HD1 LEU 9 3HD1 LEU 9 5.240 -11.513 -16.128 59 1HD2 LEU 9 1HD2 LEU 9 1.931 -12.676 -15.441 60 2HD2 LEU 9 2HD2 LEU 9 2.243 -11.992 -13.829 61 3HD2 LEU 9 3HD2 LEU 9 1.167 -11.166 -14.982 62 H LEU 10 H LEU 10 1.599 -8.629 -12.624 63 HA LEU 10 HA LEU 10 1.854 -5.724 -12.109 64 1HB LEU 10 1HB LEU 10 0.342 -8.038 -10.879 65 2HB LEU 10 2HB LEU 10 0.797 -6.689 -9.859 66 HG LEU 10 HG LEU 10 -0.349 -5.130 -11.314 67 1HD1 LEU 10 1HD1 LEU 10 -1.588 -5.628 -13.220 68 2HD1 LEU 10 2HD1 LEU 10 -0.246 -6.716 -13.445 69 3HD1 LEU 10 3HD1 LEU 10 -1.758 -7.352 -12.819 70 1HD2 LEU 10 1HD2 LEU 10 -2.653 -6.871 -10.897 71 2HD2 LEU 10 2HD2 LEU 10 -1.550 -6.872 -9.530 72 3HD2 LEU 10 3HD2 LEU 10 -2.213 -5.344 -10.152 73 H TYR 11 H TYR 11 2.826 -5.039 -10.130 74 HA TYR 11 HA TYR 11 4.963 -6.708 -8.946 75 1HB TYR 11 1HB TYR 11 5.331 -4.050 -10.398 76 2HB TYR 11 2HB TYR 11 6.545 -4.859 -9.439 77 HD1 TYR 11 HD1 TYR 11 5.316 -4.403 -12.719 78 HD2 TYR 11 HD2 TYR 11 7.018 -7.404 -10.123 79 HE1 TYR 11 HE1 TYR 11 5.920 -5.796 -14.699 80 HE2 TYR 11 HE2 TYR 11 7.685 -8.734 -12.088 81 HH TYR 11 HH TYR 11 7.772 -8.816 -14.298 82 H ASN 12 H ASN 12 3.805 -6.621 -7.020 83 HA ASN 12 HA ASN 12 2.727 -4.285 -5.806 84 1HB ASN 12 1HB ASN 12 2.918 -6.953 -5.056 85 2HB ASN 12 2HB ASN 12 4.044 -6.181 -3.934 86 1HD2 ASN 12 1HD2 ASN 12 3.236 -4.445 -2.524 87 2HD2 ASN 12 2HD2 ASN 12 1.463 -4.419 -2.297 88 H GLN 13 H GLN 13 3.814 -2.381 -5.380 89 HA GLN 13 HA GLN 13 6.520 -1.930 -5.481 90 1HB GLN 13 1HB GLN 13 4.939 -0.151 -5.153 91 2HB GLN 13 2HB GLN 13 4.501 -0.706 -3.590 92 1HG GLN 13 1HG GLN 13 6.259 0.384 -2.556 93 2HG GLN 13 2HG GLN 13 7.435 -0.248 -3.704 94 1HE2 GLN 13 1HE2 GLN 13 6.851 0.593 -6.061 95 2HE2 GLN 13 2HE2 GLN 13 6.992 2.328 -6.067 96 H ASN 14 H ASN 14 4.765 -2.846 -2.536 97 HA ASN 14 HA ASN 14 6.829 -2.952 -0.682 98 1HB ASN 14 1HB ASN 14 4.275 -3.831 -0.590 99 2HB ASN 14 2HB ASN 14 5.065 -5.398 -0.850 100 1HD2 ASN 14 1HD2 ASN 14 3.613 -4.365 1.521 101 2HD2 ASN 14 2HD2 ASN 14 4.847 -4.464 2.784 102 H LYS 15 H LYS 15 6.241 -5.306 -3.285 103 HA LYS 15 HA LYS 15 8.548 -6.994 -2.540 104 1HB LYS 15 1HB LYS 15 6.200 -7.170 -4.337 105 2HB LYS 15 2HB LYS 15 7.681 -7.662 -5.132 106 1HG LYS 15 1HG LYS 15 8.011 -9.463 -3.799 107 2HG LYS 15 2HG LYS 15 7.352 -8.734 -2.339 108 1HD LYS 15 1HD LYS 15 5.621 -9.611 -4.681 109 2HD LYS 15 2HD LYS 15 5.895 -10.568 -3.223 110 1HE LYS 15 1HE LYS 15 4.949 -7.785 -2.801 111 2HE LYS 15 2HE LYS 15 3.795 -8.963 -3.452 112 1HZ LYS 15 1HZ LYS 15 4.276 -10.411 -1.606 113 2HZ LYS 15 2HZ LYS 15 5.395 -9.392 -0.987 114 3HZ LYS 15 3HZ LYS 15 3.795 -8.963 -1.004 115 H ALA 16 H ALA 16 7.713 -4.544 -5.041 116 HA ALA 16 HA ALA 16 10.132 -4.728 -6.429 117 1HB ALA 16 1HB ALA 16 8.764 -2.123 -5.834 118 2HB ALA 16 2HB ALA 16 9.553 -2.695 -7.337 119 3HB ALA 16 3HB ALA 16 7.969 -3.337 -6.868 120 H GLU 17 H GLU 17 9.427 -3.033 -3.374 121 HA GLU 17 HA GLU 17 12.178 -2.047 -3.163 122 1HB GLU 17 1HB GLU 17 11.486 -0.838 -1.289 123 2HB GLU 17 2HB GLU 17 10.152 -0.721 -2.454 124 1HG GLU 17 1HG GLU 17 9.029 -2.584 -1.234 125 2HG GLU 17 2HG GLU 17 10.305 -2.538 -0.016 126 H SER 18 H SER 18 10.030 -4.366 -1.432 127 HA SER 18 HA SER 18 11.936 -5.218 0.469 128 1HB SER 18 1HB SER 18 9.564 -5.702 0.843 129 2HB SER 18 2HB SER 18 9.568 -6.773 -0.584 130 HG SER 18 HG SER 18 9.912 -8.164 0.916 131 H ASN 19 H ASN 19 10.807 -6.911 -2.519 132 HA ASN 19 HA ASN 19 12.572 -9.086 -2.577 133 1HB ASN 19 1HB ASN 19 10.639 -8.515 -4.199 134 2HB ASN 19 2HB ASN 19 11.849 -7.514 -5.026 135 1HD2 ASN 19 1HD2 ASN 19 14.054 -8.828 -5.333 136 2HD2 ASN 19 2HD2 ASN 19 13.764 -10.418 -5.989 137 H SER 20 H SER 20 13.099 -5.643 -3.255 138 HA SER 20 HA SER 20 15.821 -6.107 -4.246 139 1HB SER 20 1HB SER 20 15.851 -3.977 -4.979 140 2HB SER 20 2HB SER 20 14.109 -4.265 -4.927 141 HG SER 20 HG SER 20 14.030 -3.173 -2.953 142 H HIS 21 H HIS 21 14.288 -5.026 -1.295 143 HA HIS 21 HA HIS 21 16.347 -3.838 0.139 144 1HB HIS 21 1HB HIS 21 14.028 -5.575 1.050 145 2HB HIS 21 2HB HIS 21 15.228 -5.099 2.186 146 HD1 HIS 21 HD1 HIS 21 13.115 -3.843 3.386 147 HD2 HIS 21 HD2 HIS 21 14.425 -2.363 -0.338 148 HE1 HIS 21 HE1 HIS 21 12.099 -1.470 3.145 149 HE2 HIS 21 HE2 HIS 21 12.869 -0.586 0.870 150 H HIS 22 H HIS 22 15.886 -7.275 -0.560 151 HA HIS 22 HA HIS 22 18.015 -8.196 1.089 152 1HB HIS 22 1HB HIS 22 17.160 -9.809 -1.257 153 2HB HIS 22 2HB HIS 22 17.365 -10.256 0.415 154 HD1 HIS 22 HD1 HIS 22 14.973 -10.855 -1.656 155 HD2 HIS 22 HD2 HIS 22 14.980 -8.202 1.579 156 HE1 HIS 22 HE1 HIS 22 12.511 -10.605 -0.986 157 HE2 HIS 22 HE2 HIS 22 12.499 -8.851 0.972 158 H ALA 23 H ALA 23 17.611 -7.564 -2.406 159 HA ALA 23 HA ALA 23 19.940 -8.273 -3.491 160 1HB ALA 23 1HB ALA 23 19.082 -5.529 -4.230 161 2HB ALA 23 2HB ALA 23 19.390 -6.974 -5.194 162 3HB ALA 23 3HB ALA 23 17.863 -6.806 -4.343 163 HA PRO 24 HA PRO 24 22.868 -5.978 -1.033 164 1HB PRO 24 1HB PRO 24 25.176 -6.695 -2.439 165 2HB PRO 24 2HB PRO 24 24.386 -7.670 -1.155 166 1HG PRO 24 1HG PRO 24 24.395 -8.003 -4.064 167 2HG PRO 24 2HG PRO 24 24.083 -9.255 -2.809 168 1HD PRO 24 1HD PRO 24 22.183 -7.935 -4.455 169 2HD PRO 24 2HD PRO 24 21.842 -8.981 -3.052 170 H LEU 25 H LEU 25 23.226 -3.902 -1.159 171 HA LEU 25 HA LEU 25 22.908 -2.402 -3.533 172 1HB LEU 25 1HB LEU 25 22.817 -1.858 -0.855 173 2HB LEU 25 2HB LEU 25 24.376 -1.166 -1.248 174 HG LEU 25 HG LEU 25 23.503 0.430 -2.702 175 1HD1 LEU 25 1HD1 LEU 25 21.087 -1.321 -2.843 176 2HD1 LEU 25 2HD1 LEU 25 20.972 0.451 -3.194 177 3HD1 LEU 25 3HD1 LEU 25 22.034 -0.602 -4.114 178 1HD2 LEU 25 1HD2 LEU 25 22.909 1.524 -0.907 179 2HD2 LEU 25 2HD2 LEU 25 21.268 0.833 -0.960 180 3HD2 LEU 25 3HD2 LEU 25 22.559 0.108 0.012 181 H SER 26 H SER 26 24.216 -2.967 -5.161 182 HA SER 26 HA SER 26 26.843 -1.855 -5.386 183 1HB SER 26 1HB SER 26 26.505 -4.717 -4.552 184 2HB SER 26 2HB SER 26 27.785 -4.307 -5.724 185 HG SER 26 HG SER 26 28.234 -4.279 -3.296 186 H ASP 27 H ASP 27 27.735 -2.290 -7.483 187 HA ASP 27 HA ASP 27 25.740 -3.098 -9.547 188 1HB ASP 27 1HB ASP 27 26.482 -1.175 -10.411 189 2HB ASP 27 2HB ASP 27 27.933 -1.110 -9.435 190 H GLY 28 H GLY 28 25.806 -5.143 -10.151 191 1HA GLY 28 1HA GLY 28 26.666 -7.178 -10.840 192 2HA GLY 28 2HA GLY 28 28.022 -6.235 -11.503 193 H LYS 29 H LYS 29 26.767 -7.560 -8.502 194 HA LYS 29 HA LYS 29 29.416 -8.633 -7.785 195 1HB LYS 29 1HB LYS 29 28.234 -6.250 -6.456 196 2HB LYS 29 2HB LYS 29 28.826 -7.467 -5.344 197 1HG LYS 29 1HG LYS 29 30.948 -7.389 -7.098 198 2HG LYS 29 2HG LYS 29 30.329 -5.745 -7.262 199 1HD LYS 29 1HD LYS 29 31.876 -5.581 -5.533 200 2HD LYS 29 2HD LYS 29 30.346 -5.727 -4.641 201 1HE LYS 29 1HE LYS 29 30.729 -8.067 -4.178 202 2HE LYS 29 2HE LYS 29 32.047 -8.159 -5.356 203 1HZ LYS 29 1HZ LYS 29 33.481 -7.066 -3.996 204 2HZ LYS 29 2HZ LYS 29 32.333 -6.251 -3.174 205 3HZ LYS 29 3HZ LYS 29 32.600 -7.852 -2.834 206 H THR 30 H THR 30 26.770 -9.657 -8.457 207 HA THR 30 HA THR 30 26.293 -11.340 -6.043 208 HB THR 30 HB THR 30 23.948 -11.347 -6.631 209 HG1 THR 30 HG1 THR 30 23.314 -9.984 -8.322 210 1HG2 THR 30 1HG2 THR 30 23.519 -9.436 -5.632 211 2HG2 THR 30 2HG2 THR 30 25.257 -9.121 -5.632 212 3HG2 THR 30 3HG2 THR 30 24.254 -8.438 -6.914 213 H GLY 31 H GLY 31 25.729 -13.461 -6.490 214 1HA GLY 31 1HA GLY 31 27.242 -14.970 -8.209 215 2HA GLY 31 2HA GLY 31 25.627 -15.450 -7.640 216 H SER 32 H SER 32 23.830 -14.265 -8.858 217 HA SER 32 HA SER 32 23.979 -15.066 -11.657 218 1HB SER 32 1HB SER 32 21.811 -15.014 -10.490 219 2HB SER 32 2HB SER 32 21.960 -13.238 -10.326 220 HG SER 32 HG SER 32 20.740 -13.909 -12.144 221 H SER 33 H SER 33 23.783 -11.808 -10.150 222 HA SER 33 HA SER 33 25.588 -10.338 -11.352 223 1HB SER 33 1HB SER 33 23.464 -10.884 -13.388 224 2HB SER 33 2HB SER 33 24.128 -9.246 -13.340 225 HG SER 33 HG SER 33 25.558 -11.662 -13.608 226 H TYR 34 H TYR 34 22.050 -10.232 -11.412 227 HA TYR 34 HA TYR 34 21.774 -7.525 -10.844 228 1HB TYR 34 1HB TYR 34 19.870 -9.779 -10.121 229 2HB TYR 34 2HB TYR 34 19.463 -8.082 -10.288 230 HD1 TYR 34 HD1 TYR 34 20.390 -11.155 -12.122 231 HD2 TYR 34 HD2 TYR 34 19.225 -7.021 -12.484 232 HE1 TYR 34 HE1 TYR 34 19.984 -11.483 -14.542 233 HE2 TYR 34 HE2 TYR 34 18.800 -7.379 -14.916 234 HH TYR 34 HH TYR 34 19.667 -10.309 -16.549 235 HA PRO 35 HA PRO 35 20.561 -6.070 -9.731 236 1HB PRO 35 1HB PRO 35 21.226 -3.869 -8.207 237 2HB PRO 35 2HB PRO 35 19.747 -4.825 -8.008 238 1HG PRO 35 1HG PRO 35 22.166 -4.778 -6.309 239 2HG PRO 35 2HG PRO 35 20.509 -5.268 -5.919 240 1HD PRO 35 1HD PRO 35 22.763 -6.937 -6.508 241 2HD PRO 35 2HD PRO 35 21.107 -7.506 -6.247 242 H HIS 36 H HIS 36 21.438 -4.202 -10.859 243 HA HIS 36 HA HIS 36 24.360 -4.174 -11.061 244 1HB HIS 36 1HB HIS 36 24.319 -4.494 -13.503 245 2HB HIS 36 2HB HIS 36 23.905 -5.952 -12.601 246 HD1 HIS 36 HD1 HIS 36 22.967 -4.362 -15.592 247 HD2 HIS 36 HD2 HIS 36 20.765 -5.588 -12.268 248 HE1 HIS 36 HE1 HIS 36 20.549 -4.757 -16.409 249 HE2 HIS 36 HE2 HIS 36 19.265 -5.483 -14.302 250 H TRP 37 H TRP 37 25.014 -2.478 -12.805 251 HA TRP 37 HA TRP 37 23.650 -0.070 -11.927 252 1HB TRP 37 1HB TRP 37 26.023 -0.047 -12.301 253 2HB TRP 37 2HB TRP 37 25.806 -0.635 -13.957 254 HD1 TRP 37 HD1 TRP 37 24.069 2.353 -12.273 255 HE1 TRP 37 HE1 TRP 37 24.481 4.457 -13.641 256 HE3 TRP 37 HE3 TRP 37 27.165 0.325 -15.684 257 HZ2 TRP 37 HZ2 TRP 37 26.024 5.176 -15.942 258 HZ3 TRP 37 HZ3 TRP 37 28.135 1.751 -17.506 259 HH2 TRP 37 HH2 TRP 37 27.521 4.130 -17.633 260 H PHE 38 H PHE 38 22.487 1.329 -13.121 261 HA PHE 38 HA PHE 38 21.160 0.367 -15.581 262 1HB PHE 38 1HB PHE 38 19.672 0.146 -13.628 263 2HB PHE 38 2HB PHE 38 20.040 1.792 -13.150 264 HD1 PHE 38 HD1 PHE 38 19.058 0.248 -16.452 265 HD2 PHE 38 HD2 PHE 38 18.324 3.284 -13.506 266 HE1 PHE 38 HE1 PHE 38 17.240 1.223 -17.867 267 HE2 PHE 38 HE2 PHE 38 16.470 4.187 -14.881 268 HZ PHE 38 HZ PHE 38 15.977 3.194 -17.064 269 H THR 39 H THR 39 23.054 1.553 -16.408 270 HA THR 39 HA THR 39 23.693 4.178 -16.466 271 HB THR 39 HB THR 39 23.861 4.053 -18.954 272 HG1 THR 39 HG1 THR 39 22.393 1.685 -18.504 273 1HG2 THR 39 1HG2 THR 39 25.650 2.732 -18.686 274 2HG2 THR 39 2HG2 THR 39 24.983 2.161 -17.140 275 3HG2 THR 39 3HG2 THR 39 24.642 1.282 -18.603 276 H ASN 40 H ASN 40 20.587 2.963 -17.749 277 HA ASN 40 HA ASN 40 18.605 4.031 -18.187 278 1HB ASN 40 1HB ASN 40 18.863 4.744 -15.823 279 2HB ASN 40 2HB ASN 40 19.755 6.137 -16.294 280 1HD2 ASN 40 1HD2 ASN 40 18.422 7.714 -15.604 281 2HD2 ASN 40 2HD2 ASN 40 16.815 7.965 -16.331 282 H GLY 41 H GLY 41 21.271 4.706 -19.608 283 1HA GLY 41 1HA GLY 41 21.088 5.793 -21.871 284 2HA GLY 41 2HA GLY 41 20.364 7.165 -21.025 285 H TYR 42 H TYR 42 22.043 7.179 -18.674 286 HA TYR 42 HA TYR 42 24.033 8.931 -19.471 287 1HB TYR 42 1HB TYR 42 23.841 7.095 -17.049 288 2HB TYR 42 2HB TYR 42 25.110 8.249 -17.202 289 HD1 TYR 42 HD1 TYR 42 24.753 10.592 -17.053 290 HD2 TYR 42 HD2 TYR 42 21.464 7.891 -16.549 291 HE1 TYR 42 HE1 TYR 42 23.368 12.444 -16.026 292 HE2 TYR 42 HE2 TYR 42 20.111 9.680 -15.533 293 HH TYR 42 HH TYR 42 19.999 12.056 -15.112 294 H ASP 43 H ASP 43 26.375 8.747 -19.444 295 HA ASP 43 HA ASP 43 27.325 6.339 -20.831 296 1HB ASP 43 1HB ASP 43 28.223 9.115 -20.378 297 2HB ASP 43 2HB ASP 43 29.545 7.982 -20.166 298 H GLY 44 H GLY 44 27.721 7.809 -17.719 299 1HA GLY 44 1HA GLY 44 28.121 5.866 -15.951 300 2HA GLY 44 2HA GLY 44 29.683 5.810 -16.778 301 H ASP 45 H ASP 45 29.737 8.763 -17.230 302 HA ASP 45 HA ASP 45 30.764 9.470 -14.585 303 1HB ASP 45 1HB ASP 45 30.941 10.475 -17.373 304 2HB ASP 45 2HB ASP 45 30.718 11.768 -16.211 305 H GLY 46 H GLY 46 28.414 10.959 -16.720 306 1HA GLY 46 1HA GLY 46 26.185 11.289 -15.058 307 2HA GLY 46 2HA GLY 46 27.271 12.634 -14.654 308 H LYS 47 H LYS 47 26.860 11.167 -17.895 309 HA LYS 47 HA LYS 47 25.299 13.452 -18.844 310 1HB LYS 47 1HB LYS 47 28.004 12.698 -20.086 311 2HB LYS 47 2HB LYS 47 26.865 13.928 -20.668 312 1HG LYS 47 1HG LYS 47 27.090 15.060 -18.403 313 2HG LYS 47 2HG LYS 47 28.447 13.970 -18.050 314 1HD LYS 47 1HD LYS 47 29.870 15.047 -19.443 315 2HD LYS 47 2HD LYS 47 28.608 15.409 -20.644 316 1HE LYS 47 1HE LYS 47 27.629 17.083 -19.027 317 2HE LYS 47 2HE LYS 47 29.027 16.830 -17.974 318 1HZ LYS 47 1HZ LYS 47 29.151 17.744 -20.797 319 2HZ LYS 47 2HZ LYS 47 29.356 18.722 -19.486 320 3HZ LYS 47 3HZ LYS 47 30.451 17.534 -19.814 321 H LEU 48 H LEU 48 24.528 13.056 -21.020 322 HA LEU 48 HA LEU 48 24.113 10.139 -21.431 323 1HB LEU 48 1HB LEU 48 22.432 12.551 -22.050 324 2HB LEU 48 2HB LEU 48 22.129 10.923 -22.610 325 HG LEU 48 HG LEU 48 22.502 11.063 -19.693 326 1HD1 LEU 48 1HD1 LEU 48 20.517 12.143 -19.085 327 2HD1 LEU 48 2HD1 LEU 48 21.213 13.224 -20.293 328 3HD1 LEU 48 3HD1 LEU 48 19.875 12.139 -20.738 329 1HD2 LEU 48 1HD2 LEU 48 20.068 9.939 -21.121 330 2HD2 LEU 48 2HD2 LEU 48 21.644 9.163 -21.153 331 3HD2 LEU 48 3HD2 LEU 48 20.820 9.429 -19.614 332 HA PRO 49 HA PRO 49 26.167 10.606 -25.303 333 1HB PRO 49 1HB PRO 49 25.146 8.368 -26.652 334 2HB PRO 49 2HB PRO 49 26.436 8.355 -25.418 335 1HG PRO 49 1HG PRO 49 23.602 7.494 -25.163 336 2HG PRO 49 2HG PRO 49 25.037 7.022 -24.200 337 1HD PRO 49 1HD PRO 49 23.048 8.903 -23.478 338 2HD PRO 49 2HD PRO 49 24.601 8.575 -22.651 339 H LYS 50 H LYS 50 25.576 10.369 -27.773 340 HA LYS 50 HA LYS 50 23.466 12.326 -28.302 341 1HB LYS 50 1HB LYS 50 25.446 12.733 -29.451 342 2HB LYS 50 2HB LYS 50 25.600 11.050 -29.959 343 1HG LYS 50 1HG LYS 50 23.466 11.385 -31.383 344 2HG LYS 50 2HG LYS 50 23.518 13.082 -30.915 345 1HD LYS 50 1HD LYS 50 24.512 12.839 -33.087 346 2HD LYS 50 2HD LYS 50 25.831 13.167 -31.947 347 1HE LYS 50 1HE LYS 50 25.419 10.316 -31.986 348 2HE LYS 50 2HE LYS 50 25.352 10.822 -33.669 349 1HZ LYS 50 1HZ LYS 50 27.541 11.418 -33.630 350 2HZ LYS 50 2HZ LYS 50 27.516 11.945 -32.075 351 3HZ LYS 50 3HZ LYS 50 27.634 10.338 -32.391 352 H GLY 51 H GLY 51 21.542 11.415 -28.006 353 1HA GLY 51 1HA GLY 51 19.635 10.479 -29.265 354 2HA GLY 51 2HA GLY 51 20.726 9.254 -29.934 355 H ARG 52 H ARG 52 19.025 10.302 -27.021 356 HA ARG 52 HA ARG 52 18.571 7.598 -26.158 357 1HB ARG 52 1HB ARG 52 19.954 7.417 -24.321 358 2HB ARG 52 2HB ARG 52 21.038 8.328 -25.364 359 1HG ARG 52 1HG ARG 52 19.313 9.438 -23.117 360 2HG ARG 52 2HG ARG 52 21.026 9.215 -23.173 361 1HD ARG 52 1HD ARG 52 21.387 10.990 -24.649 362 2HD ARG 52 2HD ARG 52 19.771 11.046 -25.251 363 HE ARG 52 HE ARG 52 19.356 11.688 -22.664 364 1HH1 ARG 52 2HH2 ARG 52 21.525 12.901 -25.065 365 2HH1 ARG 52 1HH2 ARG 52 21.542 14.538 -24.452 366 1HH2 ARG 52 2HH1 ARG 52 19.456 13.782 -21.807 367 2HH2 ARG 52 1HH1 ARG 52 20.385 15.009 -22.598 368 H THR 53 H THR 53 17.431 7.663 -23.982 369 HA THR 53 HA THR 53 16.301 10.273 -23.220 370 HB THR 53 HB THR 53 14.651 8.141 -24.529 371 HG1 THR 53 HG1 THR 53 14.101 9.996 -25.739 372 1HG2 THR 53 1HG2 THR 53 13.543 9.064 -22.332 373 2HG2 THR 53 2HG2 THR 53 13.541 10.628 -23.172 374 3HG2 THR 53 3HG2 THR 53 12.663 9.234 -23.857 375 HA PRO 54 HA PRO 54 16.800 7.701 -19.527 376 1HB PRO 54 1HB PRO 54 16.838 9.811 -17.699 377 2HB PRO 54 2HB PRO 54 18.267 9.183 -18.573 378 1HG PRO 54 1HG PRO 54 16.767 11.707 -19.035 379 2HG PRO 54 2HG PRO 54 18.430 11.238 -19.458 380 1HD PRO 54 1HD PRO 54 16.119 11.282 -21.164 381 2HD PRO 54 2HD PRO 54 17.769 10.732 -21.590 382 H ILE 55 H ILE 55 15.416 6.981 -18.029 383 HA ILE 55 HA ILE 55 12.636 7.573 -18.436 384 HB ILE 55 HB ILE 55 13.886 5.924 -16.202 385 1HG1 ILE 55 1HG1 ILE 55 13.175 5.201 -19.094 386 2HG1 ILE 55 2HG1 ILE 55 14.750 5.090 -18.346 387 1HG2 ILE 55 1HG2 ILE 55 11.486 6.581 -15.982 388 2HG2 ILE 55 2HG2 ILE 55 11.166 5.845 -17.580 389 3HG2 ILE 55 3HG2 ILE 55 11.682 4.859 -16.201 390 1HD1 ILE 55 1HD1 ILE 55 13.942 2.919 -18.413 391 2HD1 ILE 55 2HD1 ILE 55 13.893 3.450 -16.731 392 3HD1 ILE 55 3HD1 ILE 55 12.388 3.380 -17.704 393 H LYS 56 H LYS 56 11.526 9.154 -17.576 394 HA LYS 56 HA LYS 56 12.667 10.761 -15.370 395 1HB LYS 56 1HB LYS 56 11.804 11.982 -17.187 396 2HB LYS 56 2HB LYS 56 10.269 11.104 -17.200 397 1HG LYS 56 1HG LYS 56 9.336 12.388 -15.605 398 2HG LYS 56 2HG LYS 56 10.745 12.352 -14.560 399 1HD LYS 56 1HD LYS 56 11.515 14.305 -15.156 400 2HD LYS 56 2HD LYS 56 11.282 14.038 -16.892 401 1HE LYS 56 1HE LYS 56 8.920 14.569 -16.742 402 2HE LYS 56 2HE LYS 56 9.010 14.665 -14.976 403 1HZ LYS 56 1HZ LYS 56 10.012 16.567 -16.962 404 2HZ LYS 56 2HZ LYS 56 9.294 16.865 -15.510 405 3HZ LYS 56 3HZ LYS 56 10.874 16.413 -15.576 406 H PHE 57 H PHE 57 12.120 10.586 -13.400 407 HA PHE 57 HA PHE 57 9.815 8.884 -12.541 408 1HB PHE 57 1HB PHE 57 12.238 9.662 -10.895 409 2HB PHE 57 2HB PHE 57 11.101 8.343 -10.639 410 HD1 PHE 57 HD1 PHE 57 14.154 9.471 -12.400 411 HD2 PHE 57 HD2 PHE 57 11.314 6.312 -11.958 412 HE1 PHE 57 HE1 PHE 57 15.691 7.928 -13.578 413 HE2 PHE 57 HE2 PHE 57 12.855 4.745 -13.204 414 HZ PHE 57 HZ PHE 57 15.003 5.585 -14.032 415 H GLY 58 H GLY 58 11.682 11.716 -11.499 416 1HA GLY 58 1HA GLY 58 10.354 13.841 -11.080 417 2HA GLY 58 2HA GLY 58 9.254 12.825 -10.134 418 H LYS 59 H LYS 59 12.145 11.461 -9.523 419 HA LYS 59 HA LYS 59 12.519 12.997 -7.012 420 1HB LYS 59 1HB LYS 59 13.324 10.245 -8.017 421 2HB LYS 59 2HB LYS 59 14.056 10.927 -6.610 422 1HG LYS 59 1HG LYS 59 11.036 10.960 -6.776 423 2HG LYS 59 2HG LYS 59 11.821 9.423 -6.470 424 1HD LYS 59 1HD LYS 59 12.027 9.916 -4.303 425 2HD LYS 59 2HD LYS 59 13.037 11.288 -4.668 426 1HE LYS 59 1HE LYS 59 10.186 11.840 -5.122 427 2HE LYS 59 2HE LYS 59 10.587 11.420 -3.447 428 1HZ LYS 59 1HZ LYS 59 10.832 13.823 -3.910 429 2HZ LYS 59 2HZ LYS 59 12.264 13.129 -3.443 430 3HZ LYS 59 3HZ LYS 59 12.004 13.482 -5.021 431 H SER 60 H SER 60 14.191 14.176 -6.569 432 HA SER 60 HA SER 60 15.969 14.968 -8.700 433 1HB SER 60 1HB SER 60 15.151 16.572 -7.025 434 2HB SER 60 2HB SER 60 15.992 15.666 -5.745 435 HG SER 60 HG SER 60 17.240 17.434 -6.420 436 H ASP 61 H ASP 61 15.963 12.247 -6.727 437 HA ASP 61 HA ASP 61 18.845 12.064 -6.287 438 1HB ASP 61 1HB ASP 61 17.037 9.703 -5.920 439 2HB ASP 61 2HB ASP 61 18.399 10.260 -4.964 440 H CYS 62 H CYS 62 16.290 10.266 -8.069 441 HA CYS 62 HA CYS 62 18.223 8.753 -9.560 442 1HB CYS 62 1HB CYS 62 15.403 9.063 -10.492 443 2HB CYS 62 2HB CYS 62 16.411 7.653 -10.523 444 H ASP 63 H ASP 63 16.323 11.674 -10.080 445 HA ASP 63 HA ASP 63 16.848 12.051 -12.895 446 1HB ASP 63 1HB ASP 63 15.101 13.305 -11.677 447 2HB ASP 63 2HB ASP 63 16.346 14.019 -10.630 448 H ARG 64 H ARG 64 18.605 12.894 -9.913 449 HA ARG 64 HA ARG 64 20.475 14.594 -10.990 450 1HB ARG 64 1HB ARG 64 21.247 14.519 -8.924 451 2HB ARG 64 2HB ARG 64 20.095 13.244 -8.566 452 1HG ARG 64 1HG ARG 64 21.696 11.492 -9.153 453 2HG ARG 64 2HG ARG 64 22.930 12.720 -9.369 454 1HD ARG 64 1HD ARG 64 22.251 11.415 -6.996 455 2HD ARG 64 2HD ARG 64 23.475 12.656 -7.298 456 HE ARG 64 HE ARG 64 20.828 13.095 -6.137 457 1HH1 ARG 64 2HH2 ARG 64 23.531 14.630 -7.645 458 2HH1 ARG 64 1HH2 ARG 64 23.173 16.210 -7.005 459 1HH2 ARG 64 2HH1 ARG 64 20.352 15.086 -5.366 460 2HH2 ARG 64 1HH1 ARG 64 21.380 16.444 -5.688 461 HA PRO 65 HA PRO 65 23.131 12.251 -13.480 462 1HB PRO 65 1HB PRO 65 25.646 13.306 -12.926 463 2HB PRO 65 2HB PRO 65 24.396 13.989 -14.014 464 1HG PRO 65 1HG PRO 65 25.201 14.919 -11.304 465 2HG PRO 65 2HG PRO 65 24.366 15.808 -12.619 466 1HD PRO 65 1HD PRO 65 23.230 14.632 -10.288 467 2HD PRO 65 2HD PRO 65 22.362 15.422 -11.622 468 HA PRO 66 HA PRO 66 24.483 9.103 -10.544 469 1HB PRO 66 1HB PRO 66 24.904 7.064 -12.421 470 2HB PRO 66 2HB PRO 66 23.319 7.481 -11.681 471 1HG PRO 66 1HG PRO 66 24.257 8.033 -14.432 472 2HG PRO 66 2HG PRO 66 22.594 7.944 -13.765 473 1HD PRO 66 1HD PRO 66 24.183 10.283 -14.268 474 2HD PRO 66 2HD PRO 66 22.534 10.189 -13.546 475 H LYS 67 H LYS 67 26.464 7.592 -10.418 476 HA LYS 67 HA LYS 67 28.797 8.711 -11.925 477 1HB LYS 67 1HB LYS 67 28.803 9.882 -9.812 478 2HB LYS 67 2HB LYS 67 28.499 8.403 -8.923 479 1HG LYS 67 1HG LYS 67 30.717 8.253 -8.624 480 2HG LYS 67 2HG LYS 67 30.883 7.802 -10.308 481 1HD LYS 67 1HD LYS 67 30.989 10.341 -10.765 482 2HD LYS 67 2HD LYS 67 31.211 10.482 -9.001 483 1HE LYS 67 1HE LYS 67 33.424 10.138 -9.416 484 2HE LYS 67 2HE LYS 67 32.963 8.439 -9.590 485 1HZ LYS 67 1HZ LYS 67 32.583 8.980 -12.024 486 2HZ LYS 67 2HZ LYS 67 33.316 10.427 -11.782 487 3HZ LYS 67 3HZ LYS 67 34.142 9.031 -11.563 488 H HIS 68 H HIS 68 30.064 7.128 -12.687 489 HA HIS 68 HA HIS 68 29.688 4.334 -11.678 490 1HB HIS 68 1HB HIS 68 28.966 4.865 -14.048 491 2HB HIS 68 2HB HIS 68 30.644 5.303 -14.403 492 HD1 HIS 68 HD1 HIS 68 31.581 3.440 -15.806 493 HD2 HIS 68 HD2 HIS 68 29.099 2.094 -12.657 494 HE1 HIS 68 HE1 HIS 68 31.702 0.831 -15.804 495 HE2 HIS 68 HE2 HIS 68 30.178 0.050 -13.841 496 H SER 69 H SER 69 31.558 2.981 -11.762 497 HA SER 69 HA SER 69 34.200 4.238 -11.758 498 1HB SER 69 1HB SER 69 32.722 3.783 -9.350 499 2HB SER 69 2HB SER 69 34.123 2.707 -9.361 500 HG SER 69 HG SER 69 33.920 5.474 -9.436 501 H LYS 70 H LYS 70 35.842 2.505 -11.153 502 HA LYS 70 HA LYS 70 35.205 0.124 -12.816 503 1HB LYS 70 1HB LYS 70 37.559 1.799 -12.512 504 2HB LYS 70 2HB LYS 70 37.993 0.185 -12.030 505 1HG LYS 70 1HG LYS 70 38.314 -0.126 -14.255 506 2HG LYS 70 2HG LYS 70 36.603 -0.515 -14.226 507 1HD LYS 70 1HD LYS 70 36.562 1.071 -15.908 508 2HD LYS 70 2HD LYS 70 36.331 2.146 -14.532 509 1HE LYS 70 1HE LYS 70 38.151 3.270 -15.277 510 2HE LYS 70 2HE LYS 70 39.091 1.954 -14.573 511 1HZ LYS 70 1HZ LYS 70 38.092 1.370 -17.205 512 2HZ LYS 70 2HZ LYS 70 39.120 2.653 -17.196 513 3HZ LYS 70 3HZ LYS 70 39.618 1.189 -16.624 514 H ASP 71 H ASP 71 33.749 -0.375 -10.957 515 HA ASP 71 HA ASP 71 34.741 -2.635 -9.542 516 1HB ASP 71 1HB ASP 71 35.191 -0.067 -8.176 517 2HB ASP 71 2HB ASP 71 34.094 -1.066 -7.248 518 H GLY 72 H GLY 72 32.476 0.066 -9.485 519 1HA GLY 72 1HA GLY 72 30.132 -0.501 -10.074 520 2HA GLY 72 2HA GLY 72 30.203 -1.743 -8.802 521 H ASN 73 H ASN 73 31.054 -0.730 -6.690 522 HA ASN 73 HA ASN 73 29.800 1.897 -6.068 523 1HB ASN 73 1HB ASN 73 29.424 0.642 -3.769 524 2HB ASN 73 2HB ASN 73 28.280 0.388 -4.983 525 1HD2 ASN 73 1HD2 ASN 73 30.467 -1.036 -2.895 526 2HD2 ASN 73 2HD2 ASN 73 30.297 -2.672 -3.616 527 H GLY 74 H GLY 74 32.154 2.342 -6.642 528 1HA GLY 74 1HA GLY 74 34.283 1.627 -4.830 529 2HA GLY 74 2HA GLY 74 34.264 2.991 -5.975 530 H LYS 75 H LYS 75 34.002 4.979 -5.171 531 HA LYS 75 HA LYS 75 34.022 5.410 -2.274 532 1HB LYS 75 1HB LYS 75 33.897 7.251 -4.701 533 2HB LYS 75 2HB LYS 75 33.633 7.900 -3.080 534 1HG LYS 75 1HG LYS 75 35.938 6.300 -2.772 535 2HG LYS 75 2HG LYS 75 36.142 7.058 -4.361 536 1HD LYS 75 1HD LYS 75 35.756 9.274 -3.380 537 2HD LYS 75 2HD LYS 75 35.419 8.553 -1.791 538 1HE LYS 75 1HE LYS 75 37.577 8.175 -1.289 539 2HE LYS 75 2HE LYS 75 38.004 7.679 -2.931 540 1HZ LYS 75 1HZ LYS 75 38.286 9.893 -3.584 541 2HZ LYS 75 2HZ LYS 75 37.469 10.514 -2.292 542 3HZ LYS 75 3HZ LYS 75 38.966 9.870 -2.089 543 H THR 76 H THR 76 31.788 7.295 -4.087 544 HA THR 76 HA THR 76 29.527 6.108 -2.547 545 HB THR 76 HB THR 76 30.636 8.491 -1.822 546 HG1 THR 76 HG1 THR 76 28.845 8.560 -0.564 547 1HG2 THR 76 1HG2 THR 76 29.424 10.376 -2.492 548 2HG2 THR 76 2HG2 THR 76 29.555 9.505 -4.033 549 3HG2 THR 76 3HG2 THR 76 28.064 9.410 -3.075 550 H ASP 77 H ASP 77 30.599 5.960 -5.387 551 HA ASP 77 HA ASP 77 29.393 7.290 -7.363 552 1HB ASP 77 1HB ASP 77 29.434 4.278 -7.100 553 2HB ASP 77 2HB ASP 77 29.304 5.169 -8.592 554 H HIS 78 H HIS 78 27.327 8.149 -7.342 555 HA HIS 78 HA HIS 78 25.149 6.547 -6.099 556 1HB HIS 78 1HB HIS 78 23.875 8.698 -6.299 557 2HB HIS 78 2HB HIS 78 25.196 8.654 -5.147 558 HD1 HIS 78 HD1 HIS 78 23.957 10.543 -8.047 559 HD2 HIS 78 HD2 HIS 78 27.643 9.832 -6.151 560 HE1 HIS 78 HE1 HIS 78 25.507 12.510 -8.726 561 HE2 HIS 78 HE2 HIS 78 27.793 12.020 -7.659 562 H TYR 79 H TYR 79 25.442 5.081 -7.957 563 HA TYR 79 HA TYR 79 24.246 6.045 -10.477 564 1HB TYR 79 1HB TYR 79 25.040 3.924 -11.320 565 2HB TYR 79 2HB TYR 79 26.269 4.946 -10.809 566 HD1 TYR 79 HD1 TYR 79 24.845 1.655 -10.485 567 HD2 TYR 79 HD2 TYR 79 27.328 4.490 -8.558 568 HE1 TYR 79 HE1 TYR 79 25.741 -0.070 -8.931 569 HE2 TYR 79 HE2 TYR 79 27.972 2.757 -6.805 570 HH TYR 79 HH TYR 79 26.604 0.106 -6.266 571 H LEU 80 H LEU 80 22.388 5.186 -11.359 572 HA LEU 80 HA LEU 80 20.603 3.976 -9.435 573 1HB LEU 80 1HB LEU 80 20.423 4.824 -12.330 574 2HB LEU 80 2HB LEU 80 19.255 3.699 -11.682 575 HG LEU 80 HG LEU 80 19.480 5.765 -9.718 576 1HD1 LEU 80 1HD1 LEU 80 20.257 6.959 -12.074 577 2HD1 LEU 80 2HD1 LEU 80 18.512 7.242 -12.078 578 3HD1 LEU 80 3HD1 LEU 80 19.531 7.754 -10.720 579 1HD2 LEU 80 1HD2 LEU 80 17.184 5.454 -11.649 580 2HD2 LEU 80 2HD2 LEU 80 17.584 4.238 -10.392 581 3HD2 LEU 80 3HD2 LEU 80 17.138 5.829 -9.920 582 H LEU 81 H LEU 81 19.916 1.848 -9.311 583 HA LEU 81 HA LEU 81 21.189 -0.080 -11.157 584 1HB LEU 81 1HB LEU 81 20.934 -0.196 -8.133 585 2HB LEU 81 2HB LEU 81 21.248 -1.612 -9.081 586 HG LEU 81 HG LEU 81 23.147 0.389 -9.881 587 1HD1 LEU 81 1HD1 LEU 81 22.507 0.660 -7.054 588 2HD1 LEU 81 2HD1 LEU 81 24.158 0.123 -7.239 589 3HD1 LEU 81 3HD1 LEU 81 23.611 1.556 -8.068 590 1HD2 LEU 81 1HD2 LEU 81 24.386 -1.377 -10.014 591 2HD2 LEU 81 2HD2 LEU 81 24.427 -1.595 -8.301 592 3HD2 LEU 81 3HD2 LEU 81 23.198 -2.400 -9.194 593 H GLU 82 H GLU 82 19.998 -1.833 -11.745 594 HA GLU 82 HA GLU 82 17.148 -1.664 -10.987 595 1HB GLU 82 1HB GLU 82 16.546 -2.560 -13.052 596 2HB GLU 82 2HB GLU 82 17.695 -1.264 -13.385 597 1HG GLU 82 1HG GLU 82 18.537 -4.149 -13.224 598 2HG GLU 82 2HG GLU 82 17.880 -3.499 -14.679 599 H PHE 83 H PHE 83 15.993 -3.546 -10.547 600 HA PHE 83 HA PHE 83 17.581 -6.006 -10.179 601 1HB PHE 83 1HB PHE 83 17.285 -4.489 -8.077 602 2HB PHE 83 2HB PHE 83 15.642 -5.125 -8.107 603 HD1 PHE 83 HD1 PHE 83 15.233 -6.688 -6.506 604 HD2 PHE 83 HD2 PHE 83 18.918 -6.708 -8.687 605 HE1 PHE 83 HE1 PHE 83 16.027 -8.773 -5.275 606 HE2 PHE 83 HE2 PHE 83 19.656 -8.754 -7.403 607 HZ PHE 83 HZ PHE 83 18.275 -9.574 -5.649 608 HA PRO 84 HA PRO 84 13.858 -7.711 -12.011 609 1HB PRO 84 1HB PRO 84 14.638 -10.348 -11.878 610 2HB PRO 84 2HB PRO 84 15.101 -9.194 -13.189 611 1HG PRO 84 1HG PRO 84 16.703 -10.352 -10.996 612 2HG PRO 84 2HG PRO 84 17.231 -9.598 -12.528 613 1HD PRO 84 1HD PRO 84 17.159 -8.441 -9.896 614 2HD PRO 84 2HD PRO 84 17.555 -7.616 -11.424 615 H THR 85 H THR 85 12.432 -7.174 -10.488 616 HA THR 85 HA THR 85 12.061 -8.971 -8.150 617 HB THR 85 HB THR 85 12.155 -6.725 -7.461 618 HG1 THR 85 HG1 THR 85 10.497 -7.752 -6.467 619 1HG2 THR 85 1HG2 THR 85 10.186 -5.165 -8.502 620 2HG2 THR 85 2HG2 THR 85 11.832 -5.202 -9.146 621 3HG2 THR 85 3HG2 THR 85 10.565 -6.105 -9.932 622 H PHE 86 H PHE 86 10.802 -10.618 -8.461 623 HA PHE 86 HA PHE 86 8.817 -10.631 -10.582 624 1HB PHE 86 1HB PHE 86 9.344 -12.684 -8.415 625 2HB PHE 86 2HB PHE 86 8.526 -12.966 -9.948 626 HD1 PHE 86 HD1 PHE 86 11.565 -13.252 -8.274 627 HD2 PHE 86 HD2 PHE 86 9.956 -12.212 -12.136 628 HE1 PHE 86 HE1 PHE 86 13.603 -14.034 -9.360 629 HE2 PHE 86 HE2 PHE 86 12.087 -12.878 -13.189 630 HZ PHE 86 HZ PHE 86 13.979 -13.679 -11.759 631 HA PRO 87 HA PRO 87 5.320 -9.620 -8.083 632 1HB PRO 87 1HB PRO 87 3.320 -11.189 -9.261 633 2HB PRO 87 2HB PRO 87 3.903 -9.638 -9.801 634 1HG PRO 87 1HG PRO 87 4.421 -12.319 -10.952 635 2HG PRO 87 2HG PRO 87 4.587 -10.716 -11.741 636 1HD PRO 87 1HD PRO 87 6.636 -12.390 -10.672 637 2HD PRO 87 2HD PRO 87 6.823 -10.755 -11.364 638 H ASP 88 H ASP 88 5.604 -13.130 -8.764 639 HA ASP 88 HA ASP 88 4.069 -14.352 -6.850 640 1HB ASP 88 1HB ASP 88 5.400 -15.667 -8.345 641 2HB ASP 88 2HB ASP 88 6.883 -14.906 -7.779 642 H GLY 89 H GLY 89 7.012 -12.533 -6.354 643 1HA GLY 89 1HA GLY 89 7.560 -11.364 -4.419 644 2HA GLY 89 2HA GLY 89 6.603 -12.521 -3.429 645 H HIS 90 H HIS 90 8.084 -14.517 -5.342 646 HA HIS 90 HA HIS 90 10.023 -15.330 -3.475 647 1HB HIS 90 1HB HIS 90 10.682 -17.028 -4.990 648 2HB HIS 90 2HB HIS 90 8.981 -16.838 -5.162 649 HD1 HIS 90 HD1 HIS 90 8.135 -16.523 -7.565 650 HD2 HIS 90 HD2 HIS 90 12.237 -15.779 -7.006 651 HE1 HIS 90 HE1 HIS 90 9.157 -16.089 -9.962 652 HE2 HIS 90 HE2 HIS 90 11.657 -15.657 -9.570 653 H ASP 91 H ASP 91 12.000 -14.704 -3.071 654 HA ASP 91 HA ASP 91 13.219 -12.439 -4.412 655 1HB ASP 91 1HB ASP 91 13.568 -12.697 -2.087 656 2HB ASP 91 2HB ASP 91 14.034 -14.399 -2.237 657 H TYR 92 H TYR 92 14.026 -12.639 -6.354 658 HA TYR 92 HA TYR 92 14.717 -14.843 -7.844 659 1HB TYR 92 1HB TYR 92 14.766 -12.435 -8.650 660 2HB TYR 92 2HB TYR 92 16.109 -12.139 -7.635 661 HD1 TYR 92 HD1 TYR 92 18.029 -11.791 -8.887 662 HD2 TYR 92 HD2 TYR 92 15.350 -14.929 -10.132 663 HE1 TYR 92 HE1 TYR 92 19.645 -12.495 -10.622 664 HE2 TYR 92 HE2 TYR 92 16.874 -15.518 -11.940 665 HH TYR 92 HH TYR 92 18.541 -14.302 -13.270 666 H LYS 93 H LYS 93 16.740 -15.804 -8.446 667 HA LYS 93 HA LYS 93 18.418 -16.339 -6.098 668 1HB LYS 93 1HB LYS 93 19.244 -18.241 -7.682 669 2HB LYS 93 2HB LYS 93 17.724 -18.379 -6.793 670 1HG LYS 93 1HG LYS 93 16.410 -17.749 -8.764 671 2HG LYS 93 2HG LYS 93 17.882 -17.362 -9.665 672 1HD LYS 93 1HD LYS 93 17.564 -19.502 -10.421 673 2HD LYS 93 2HD LYS 93 18.492 -19.913 -9.029 674 1HE LYS 93 1HE LYS 93 15.535 -19.586 -8.547 675 2HE LYS 93 2HE LYS 93 15.918 -20.798 -9.754 676 1HZ LYS 93 1HZ LYS 93 16.259 -22.096 -7.972 677 2HZ LYS 93 2HZ LYS 93 17.715 -21.328 -7.816 678 3HZ LYS 93 3HZ LYS 93 16.422 -20.833 -6.921 679 H PHE 94 H PHE 94 19.165 -14.100 -6.451 680 HA PHE 94 HA PHE 94 21.141 -13.754 -8.591 681 1HB PHE 94 1HB PHE 94 21.557 -11.588 -7.337 682 2HB PHE 94 2HB PHE 94 19.992 -11.793 -8.098 683 HD1 PHE 94 HD1 PHE 94 17.986 -12.176 -6.793 684 HD2 PHE 94 HD2 PHE 94 21.774 -11.674 -4.842 685 HE1 PHE 94 HE1 PHE 94 16.822 -11.775 -4.739 686 HE2 PHE 94 HE2 PHE 94 20.589 -11.314 -2.680 687 HZ PHE 94 HZ PHE 94 18.092 -11.358 -2.615 688 H ASP 95 H ASP 95 21.147 -15.321 -5.653 689 HA ASP 95 HA ASP 95 23.948 -14.671 -4.971 690 1HB ASP 95 1HB ASP 95 21.572 -15.948 -3.687 691 2HB ASP 95 2HB ASP 95 23.060 -16.829 -3.392 692 H SER 96 H SER 96 22.037 -17.244 -6.364 693 HA SER 96 HA SER 96 24.388 -19.064 -6.512 694 1HB SER 96 1HB SER 96 21.510 -19.530 -7.363 695 2HB SER 96 2HB SER 96 22.833 -20.720 -7.401 696 HG SER 96 HG SER 96 22.215 -19.365 -5.006 697 H LYS 97 H LYS 97 25.724 -18.418 -8.057 698 HA LYS 97 HA LYS 97 25.015 -17.086 -10.484 699 1HB LYS 97 1HB LYS 97 27.215 -17.270 -11.124 700 2HB LYS 97 2HB LYS 97 27.350 -17.462 -9.375 701 1HG LYS 97 1HG LYS 97 27.465 -19.962 -9.701 702 2HG LYS 97 2HG LYS 97 27.335 -19.708 -11.459 703 1HD LYS 97 1HD LYS 97 29.552 -20.156 -10.971 704 2HD LYS 97 2HD LYS 97 29.398 -18.467 -11.513 705 1HE LYS 97 1HE LYS 97 29.726 -17.596 -9.349 706 2HE LYS 97 2HE LYS 97 29.263 -19.110 -8.552 707 1HZ LYS 97 1HZ LYS 97 31.724 -18.743 -10.147 708 2HZ LYS 97 2HZ LYS 97 31.668 -18.747 -8.502 709 3HZ LYS 97 3HZ LYS 97 31.294 -20.117 -9.342 710 H LYS 98 H LYS 98 25.474 -20.519 -9.873 711 HA LYS 98 HA LYS 98 23.796 -21.100 -12.150 712 1HB LYS 98 1HB LYS 98 25.610 -21.344 -13.364 713 2HB LYS 98 2HB LYS 98 26.635 -21.883 -12.050 714 1HG LYS 98 1HG LYS 98 24.375 -23.714 -12.965 715 2HG LYS 98 2HG LYS 98 25.778 -23.524 -13.989 716 1HD LYS 98 1HD LYS 98 27.123 -23.964 -11.713 717 2HD LYS 98 2HD LYS 98 25.610 -24.688 -11.187 718 1HE LYS 98 1HE LYS 98 26.492 -25.494 -13.914 719 2HE LYS 98 2HE LYS 98 27.639 -25.890 -12.630 720 1HZ LYS 98 1HZ LYS 98 25.563 -26.810 -11.442 721 2HZ LYS 98 2HZ LYS 98 24.870 -26.844 -12.936 722 3HZ LYS 98 3HZ LYS 98 26.233 -27.713 -12.636 723 HA PRO 99 HA PRO 99 22.542 -22.513 -12.876 724 1HB PRO 99 1HB PRO 99 19.931 -23.181 -12.417 725 2HB PRO 99 2HB PRO 99 21.213 -24.271 -13.024 726 1HG PRO 99 1HG PRO 99 19.969 -24.169 -10.322 727 2HG PRO 99 2HG PRO 99 20.811 -25.521 -11.142 728 1HD PRO 99 1HD PRO 99 21.857 -23.746 -9.126 729 2HD PRO 99 2HD PRO 99 22.749 -25.017 -10.010 730 H LYS 100 H LYS 100 20.568 -21.076 -13.424 731 HA LYS 100 HA LYS 100 19.984 -19.105 -11.306 732 1HB LYS 100 1HB LYS 100 20.933 -17.294 -12.321 733 2HB LYS 100 2HB LYS 100 22.068 -18.537 -12.821 734 1HG LYS 100 1HG LYS 100 20.873 -18.776 -14.994 735 2HG LYS 100 2HG LYS 100 19.792 -17.462 -14.523 736 1HD LYS 100 1HD LYS 100 22.714 -16.853 -14.305 737 2HD LYS 100 2HD LYS 100 22.110 -17.111 -15.947 738 1HE LYS 100 1HE LYS 100 20.688 -15.317 -13.962 739 2HE LYS 100 2HE LYS 100 22.009 -14.697 -14.959 740 1HZ LYS 100 1HZ LYS 100 19.472 -14.706 -15.781 741 2HZ LYS 100 2HZ LYS 100 20.738 -14.876 -16.851 742 3HZ LYS 100 3HZ LYS 100 19.903 -16.184 -16.322 743 H GLU 101 H GLU 101 18.150 -17.825 -11.789 744 HA GLU 101 HA GLU 101 16.304 -19.219 -13.682 745 1HB GLU 101 1HB GLU 101 15.684 -19.076 -11.300 746 2HB GLU 101 2HB GLU 101 15.564 -17.318 -11.426 747 1HG GLU 101 1HG GLU 101 13.640 -17.488 -12.784 748 2HG GLU 101 2HG GLU 101 14.082 -19.103 -13.364 749 H ASN 102 H ASN 102 14.612 -17.736 -14.649 750 HA ASN 102 HA ASN 102 15.829 -15.959 -16.433 751 1HB ASN 102 1HB ASN 102 13.062 -16.759 -15.723 752 2HB ASN 102 2HB ASN 102 13.182 -15.097 -16.278 753 1HD2 ASN 102 1HD2 ASN 102 13.012 -18.304 -17.318 754 2HD2 ASN 102 2HD2 ASN 102 13.485 -17.992 -18.983 755 HA PRO 103 HA PRO 103 16.164 -12.321 -13.883 756 1HB PRO 103 1HB PRO 103 16.412 -10.431 -15.882 757 2HB PRO 103 2HB PRO 103 17.703 -11.520 -15.311 758 1HG PRO 103 1HG PRO 103 16.177 -11.611 -17.869 759 2HG PRO 103 2HG PRO 103 17.795 -12.275 -17.473 760 1HD PRO 103 1HD PRO 103 15.287 -13.663 -17.565 761 2HD PRO 103 2HD PRO 103 16.882 -14.303 -17.070 762 H GLY 104 H GLY 104 14.282 -11.348 -16.806 763 1HA GLY 104 1HA GLY 104 11.802 -11.253 -16.453 764 2HA GLY 104 2HA GLY 104 12.124 -10.374 -14.954 765 HA PRO 105 HA PRO 105 12.244 -7.420 -18.652 766 1HB PRO 105 1HB PRO 105 9.557 -6.676 -18.880 767 2HB PRO 105 2HB PRO 105 10.387 -7.898 -19.883 768 1HG PRO 105 1HG PRO 105 8.410 -8.313 -17.694 769 2HG PRO 105 2HG PRO 105 8.884 -9.405 -19.031 770 1HD PRO 105 1HD PRO 105 9.733 -9.517 -16.297 771 2HD PRO 105 2HD PRO 105 10.295 -10.514 -17.670 772 H ALA 106 H ALA 106 9.713 -7.123 -16.096 773 HA ALA 106 HA ALA 106 10.314 -4.362 -15.657 774 1HB ALA 106 1HB ALA 106 8.200 -5.935 -15.241 775 2HB ALA 106 2HB ALA 106 8.907 -5.882 -13.583 776 3HB ALA 106 3HB ALA 106 8.425 -4.414 -14.462 777 H ARG 107 H ARG 107 11.501 -3.476 -14.091 778 HA ARG 107 HA ARG 107 12.757 -5.107 -11.999 779 1HB ARG 107 1HB ARG 107 14.327 -3.509 -14.103 780 2HB ARG 107 2HB ARG 107 14.998 -4.086 -12.569 781 1HG ARG 107 1HG ARG 107 13.992 -6.402 -13.438 782 2HG ARG 107 2HG ARG 107 14.155 -5.682 -15.001 783 1HD ARG 107 1HD ARG 107 16.512 -5.452 -13.153 784 2HD ARG 107 2HD ARG 107 16.064 -7.080 -13.583 785 HE ARG 107 HE ARG 107 16.982 -4.963 -15.455 786 1HH1 ARG 107 2HH2 ARG 107 15.531 -8.077 -15.159 787 2HH1 ARG 107 1HH2 ARG 107 15.969 -8.587 -16.720 788 1HH2 ARG 107 2HH1 ARG 107 17.586 -5.676 -17.523 789 2HH2 ARG 107 1HH1 ARG 107 17.172 -7.282 -18.029 790 H VAL 108 H VAL 108 13.483 -3.915 -10.260 791 HA VAL 108 HA VAL 108 12.246 -1.241 -9.937 792 HB VAL 108 HB VAL 108 11.853 -2.757 -8.159 793 1HG1 VAL 108 1HG1 VAL 108 13.540 -4.418 -8.236 794 2HG1 VAL 108 2HG1 VAL 108 14.834 -3.228 -8.139 795 3HG1 VAL 108 3HG1 VAL 108 13.862 -3.541 -6.753 796 1HG2 VAL 108 1HG2 VAL 108 12.443 -0.333 -7.679 797 2HG2 VAL 108 2HG2 VAL 108 12.600 -1.481 -6.324 798 3HG2 VAL 108 3HG2 VAL 108 14.031 -0.904 -7.156 799 H ILE 109 H ILE 109 13.250 0.493 -10.511 800 HA ILE 109 HA ILE 109 16.223 0.488 -10.588 801 HB ILE 109 HB ILE 109 14.112 1.982 -12.093 802 1HG1 ILE 109 1HG1 ILE 109 15.531 1.257 -13.992 803 2HG1 ILE 109 2HG1 ILE 109 16.645 0.473 -12.898 804 1HG2 ILE 109 1HG2 ILE 109 17.040 2.685 -11.840 805 2HG2 ILE 109 2HG2 ILE 109 15.860 3.410 -12.977 806 3HG2 ILE 109 3HG2 ILE 109 15.640 3.678 -11.292 807 1HD1 ILE 109 1HD1 ILE 109 14.931 -1.068 -14.023 808 2HD1 ILE 109 2HD1 ILE 109 14.989 -1.183 -12.298 809 3HD1 ILE 109 3HD1 ILE 109 13.704 -0.204 -13.046 810 H TYR 110 H TYR 110 17.225 1.370 -9.000 811 HA TYR 110 HA TYR 110 16.012 3.700 -7.572 812 1HB TYR 110 1HB TYR 110 16.660 2.656 -5.454 813 2HB TYR 110 2HB TYR 110 15.529 1.617 -6.320 814 HD1 TYR 110 HD1 TYR 110 16.101 -0.664 -6.747 815 HD2 TYR 110 HD2 TYR 110 19.213 2.100 -5.733 816 HE1 TYR 110 HE1 TYR 110 17.719 -2.538 -6.521 817 HE2 TYR 110 HE2 TYR 110 20.830 0.311 -5.605 818 HH TYR 110 HH TYR 110 19.933 -3.079 -6.235 819 H THR 111 H THR 111 17.568 4.876 -6.324 820 HA THR 111 HA THR 111 20.175 5.021 -7.733 821 HB THR 111 HB THR 111 20.276 7.207 -7.057 822 HG1 THR 111 HG1 THR 111 18.797 6.337 -4.815 823 1HG2 THR 111 1HG2 THR 111 17.294 6.983 -6.588 824 2HG2 THR 111 2HG2 THR 111 18.253 8.201 -7.424 825 3HG2 THR 111 3HG2 THR 111 17.969 6.651 -8.186 826 H TYR 112 H TYR 112 22.199 5.299 -6.535 827 HA TYR 112 HA TYR 112 22.136 3.701 -4.066 828 1HB TYR 112 1HB TYR 112 23.249 2.471 -5.579 829 2HB TYR 112 2HB TYR 112 24.050 3.849 -6.326 830 HD1 TYR 112 HD1 TYR 112 24.689 1.039 -4.350 831 HD2 TYR 112 HD2 TYR 112 25.657 5.216 -4.588 832 HE1 TYR 112 HE1 TYR 112 26.730 0.699 -2.919 833 HE2 TYR 112 HE2 TYR 112 27.681 4.871 -3.321 834 HH TYR 112 HH TYR 112 29.272 2.738 -2.878 835 HA PRO 113 HA PRO 113 23.658 3.136 -2.567 836 1HB PRO 113 1HB PRO 113 23.859 3.528 0.135 837 2HB PRO 113 2HB PRO 113 25.228 3.318 -0.992 838 1HG PRO 113 1HG PRO 113 24.266 5.799 0.339 839 2HG PRO 113 2HG PRO 113 25.883 5.418 -0.332 840 1HD PRO 113 1HD PRO 113 23.837 7.032 -1.559 841 2HD PRO 113 2HD PRO 113 25.358 6.484 -2.304 842 H ASN 114 H ASN 114 22.075 5.701 -0.708 843 HA ASN 114 HA ASN 114 19.930 4.356 0.399 844 1HB ASN 114 1HB ASN 114 20.485 6.900 0.435 845 2HB ASN 114 2HB ASN 114 19.586 7.000 -1.064 846 1HD2 ASN 114 1HD2 ASN 114 18.975 8.150 1.517 847 2HD2 ASN 114 2HD2 ASN 114 17.393 7.490 1.973 848 H LYS 115 H LYS 115 18.761 2.824 -0.609 849 HA LYS 115 HA LYS 115 18.229 2.680 -3.379 850 1HB LYS 115 1HB LYS 115 17.982 1.038 -1.085 851 2HB LYS 115 2HB LYS 115 16.382 1.000 -1.792 852 1HG LYS 115 1HG LYS 115 17.108 0.221 -3.854 853 2HG LYS 115 2HG LYS 115 18.813 0.546 -3.465 854 1HD LYS 115 1HD LYS 115 17.070 -1.652 -2.314 855 2HD LYS 115 2HD LYS 115 18.429 -1.819 -3.433 856 1HE LYS 115 1HE LYS 115 19.666 -2.171 -1.541 857 2HE LYS 115 2HE LYS 115 19.692 -0.405 -1.561 858 1HZ LYS 115 1HZ LYS 115 18.902 -0.658 0.506 859 2HZ LYS 115 2HZ LYS 115 17.454 -0.825 -0.250 860 3HZ LYS 115 3HZ LYS 115 18.301 -2.173 0.233 861 H VAL 116 H VAL 116 17.525 4.983 -3.250 862 HA VAL 116 HA VAL 116 14.843 5.662 -2.426 863 HB VAL 116 HB VAL 116 16.929 7.063 -4.133 864 1HG1 VAL 116 1HG1 VAL 116 15.300 8.245 -5.080 865 2HG1 VAL 116 2HG1 VAL 116 14.031 7.564 -4.056 866 3HG1 VAL 116 3HG1 VAL 116 14.938 8.953 -3.498 867 1HG2 VAL 116 1HG2 VAL 116 16.537 8.755 -2.106 868 2HG2 VAL 116 2HG2 VAL 116 15.989 7.278 -1.284 869 3HG2 VAL 116 3HG2 VAL 116 17.619 7.386 -1.985 870 H PHE 117 H PHE 117 14.068 3.683 -3.353 871 HA PHE 117 HA PHE 117 13.767 2.851 -5.918 872 1HB PHE 117 1HB PHE 117 12.677 1.755 -4.074 873 2HB PHE 117 2HB PHE 117 11.716 3.187 -3.689 874 HD1 PHE 117 HD1 PHE 117 11.689 0.101 -5.317 875 HD2 PHE 117 HD2 PHE 117 10.035 4.061 -5.570 876 HE1 PHE 117 HE1 PHE 117 9.978 -0.686 -6.895 877 HE2 PHE 117 HE2 PHE 117 8.386 3.310 -7.160 878 HZ PHE 117 HZ PHE 117 8.252 0.925 -7.793 879 H CYS 118 H CYS 118 13.275 3.795 -7.773 880 HA CYS 118 HA CYS 118 11.730 6.309 -7.692 881 1HB CYS 118 1HB CYS 118 14.038 5.383 -9.171 882 2HB CYS 118 2HB CYS 118 12.714 5.703 -10.262 883 H GLY 119 H GLY 119 11.814 3.093 -9.181 884 1HA GLY 119 1HA GLY 119 9.148 2.484 -9.229 885 2HA GLY 119 2HA GLY 119 9.315 3.497 -10.638 886 H ILE 120 H ILE 120 8.580 1.355 -11.526 887 HA ILE 120 HA ILE 120 10.894 -0.423 -11.950 888 HB ILE 120 HB ILE 120 7.925 -1.015 -11.948 889 1HG1 ILE 120 1HG1 ILE 120 8.875 -2.956 -10.429 890 2HG1 ILE 120 2HG1 ILE 120 10.317 -1.961 -10.353 891 1HG2 ILE 120 1HG2 ILE 120 9.180 -2.188 -13.923 892 2HG2 ILE 120 2HG2 ILE 120 9.944 -3.126 -12.644 893 3HG2 ILE 120 3HG2 ILE 120 8.183 -3.112 -12.811 894 1HD1 ILE 120 1HD1 ILE 120 7.900 -0.354 -9.837 895 2HD1 ILE 120 2HD1 ILE 120 8.062 -1.708 -8.728 896 3HD1 ILE 120 3HD1 ILE 120 9.414 -0.556 -8.956 897 H ILE 121 H ILE 121 11.460 -0.874 -14.051 898 HA ILE 121 HA ILE 121 10.038 0.762 -16.093 899 HB ILE 121 HB ILE 121 12.040 1.226 -17.167 900 1HG1 ILE 121 1HG1 ILE 121 13.405 -0.787 -15.376 901 2HG1 ILE 121 2HG1 ILE 121 13.011 -0.986 -17.034 902 1HG2 ILE 121 1HG2 ILE 121 11.947 1.802 -14.220 903 2HG2 ILE 121 2HG2 ILE 121 13.530 1.907 -14.908 904 3HG2 ILE 121 3HG2 ILE 121 12.182 2.840 -15.554 905 1HD1 ILE 121 1HD1 ILE 121 15.292 -0.446 -17.142 906 2HD1 ILE 121 2HD1 ILE 121 14.454 1.048 -17.564 907 3HD1 ILE 121 3HD1 ILE 121 15.097 0.835 -15.961 908 H ALA 122 H ALA 122 9.850 -0.109 -18.162 909 HA ALA 122 HA ALA 122 10.744 -2.739 -18.931 910 1HB ALA 122 1HB ALA 122 8.799 -3.107 -17.113 911 2HB ALA 122 2HB ALA 122 7.815 -2.831 -18.565 912 3HB ALA 122 3HB ALA 122 8.993 -4.151 -18.509 913 H HIS 123 H HIS 123 10.803 -2.680 -21.041 914 HA HIS 123 HA HIS 123 9.224 -0.689 -22.549 915 1HB HIS 123 1HB HIS 123 10.588 -1.463 -24.442 916 2HB HIS 123 2HB HIS 123 11.455 -0.707 -23.111 917 HD1 HIS 123 HD1 HIS 123 13.546 -1.881 -24.386 918 HD2 HIS 123 HD2 HIS 123 10.803 -4.373 -22.371 919 HE1 HIS 123 HE1 HIS 123 14.736 -4.167 -24.038 920 HE2 HIS 123 HE2 HIS 123 13.006 -5.672 -22.799 921 H THR 124 H THR 124 7.172 -1.582 -22.353 922 HA THR 124 HA THR 124 6.651 -4.158 -23.739 923 HB THR 124 HB THR 124 4.315 -3.612 -22.701 924 HG1 THR 124 HG1 THR 124 4.781 -1.432 -22.318 925 1HG2 THR 124 1HG2 THR 124 6.801 -4.694 -21.575 926 2HG2 THR 124 2HG2 THR 124 5.843 -3.898 -20.334 927 3HG2 THR 124 3HG2 THR 124 5.133 -5.184 -21.331 928 H LYS 125 H LYS 125 7.568 -2.311 -25.396 929 HA LYS 125 HA LYS 125 5.168 -1.219 -26.826 930 1HB LYS 125 1HB LYS 125 7.059 0.356 -26.331 931 2HB LYS 125 2HB LYS 125 8.095 -0.594 -27.421 932 1HG LYS 125 1HG LYS 125 6.561 -0.128 -29.308 933 2HG LYS 125 2HG LYS 125 5.411 0.641 -28.209 934 1HD LYS 125 1HD LYS 125 6.442 2.488 -29.078 935 2HD LYS 125 2HD LYS 125 7.419 2.252 -27.625 936 1HE LYS 125 1HE LYS 125 9.305 1.771 -28.814 937 2HE LYS 125 2HE LYS 125 8.453 0.672 -29.889 938 1HZ LYS 125 1HZ LYS 125 7.706 2.503 -31.199 939 2HZ LYS 125 2HZ LYS 125 8.366 3.619 -30.176 940 3HZ LYS 125 3HZ LYS 125 9.335 2.606 -31.045 941 H GLU 126 H GLU 126 7.941 -3.453 -27.255 942 HA GLU 126 HA GLU 126 6.744 -5.352 -28.703 943 1HB GLU 126 1HB GLU 126 7.165 -2.969 -30.381 944 2HB GLU 126 2HB GLU 126 8.102 -4.266 -30.971 945 1HG GLU 126 1HG GLU 126 5.297 -5.005 -30.201 946 2HG GLU 126 2HG GLU 126 5.479 -3.918 -31.575 947 H ASN 127 H ASN 127 9.596 -3.856 -30.002 948 HA ASN 127 HA ASN 127 11.472 -5.318 -28.324 949 1HB ASN 127 1HB ASN 127 10.395 -6.595 -30.613 950 2HB ASN 127 2HB ASN 127 11.929 -5.974 -31.178 951 1HD2 ASN 127 1HD2 ASN 127 12.744 -8.092 -31.373 952 2HD2 ASN 127 2HD2 ASN 127 13.179 -8.993 -29.904 953 H GLN 128 H GLN 128 11.002 -2.536 -28.854 954 HA GLN 128 HA GLN 128 13.591 -1.627 -29.375 955 1HB GLN 128 1HB GLN 128 11.928 -1.957 -31.804 956 2HB GLN 128 2HB GLN 128 12.407 -0.284 -31.567 957 1HG GLN 128 1HG GLN 128 14.799 -1.556 -31.053 958 2HG GLN 128 2HG GLN 128 14.083 -2.656 -32.226 959 1HE2 GLN 128 1HE2 GLN 128 16.446 -1.120 -32.607 960 2HE2 GLN 128 2HE2 GLN 128 16.077 0.047 -33.891 961 H GLY 129 H GLY 129 13.230 -0.499 -27.541 962 1HA GLY 129 1HA GLY 129 12.523 2.170 -27.667 963 2HA GLY 129 2HA GLY 129 11.027 1.315 -27.194 964 H GLU 130 H GLU 130 14.058 2.475 -26.060 965 HA GLU 130 HA GLU 130 14.808 1.020 -23.948 966 1HB GLU 130 1HB GLU 130 14.872 3.785 -24.649 967 2HB GLU 130 2HB GLU 130 14.319 3.746 -23.003 968 1HG GLU 130 1HG GLU 130 16.450 3.515 -22.313 969 2HG GLU 130 2HG GLU 130 16.415 1.883 -22.938 970 H LEU 131 H LEU 131 14.321 0.751 -21.740 971 HA LEU 131 HA LEU 131 11.568 0.124 -21.251 972 1HB LEU 131 1HB LEU 131 13.986 0.345 -19.471 973 2HB LEU 131 2HB LEU 131 12.387 -0.186 -18.952 974 HG LEU 131 HG LEU 131 12.572 -2.027 -20.732 975 1HD1 LEU 131 1HD1 LEU 131 14.410 -1.324 -22.074 976 2HD1 LEU 131 2HD1 LEU 131 15.436 -1.027 -20.666 977 3HD1 LEU 131 3HD1 LEU 131 15.028 -2.685 -21.142 978 1HD2 LEU 131 1HD2 LEU 131 14.440 -2.104 -18.361 979 2HD2 LEU 131 2HD2 LEU 131 12.747 -2.609 -18.390 980 3HD2 LEU 131 3HD2 LEU 131 13.936 -3.515 -19.291 981 H LYS 132 H LYS 132 10.050 1.156 -20.076 982 HA LYS 132 HA LYS 132 10.536 4.033 -19.412 983 1HB LYS 132 1HB LYS 132 8.006 4.118 -19.934 984 2HB LYS 132 2HB LYS 132 9.212 4.328 -21.191 985 1HG LYS 132 1HG LYS 132 8.932 2.103 -22.025 986 2HG LYS 132 2HG LYS 132 7.965 1.606 -20.627 987 1HD LYS 132 1HD LYS 132 6.051 2.365 -21.474 988 2HD LYS 132 2HD LYS 132 6.759 3.897 -21.992 989 1HE LYS 132 1HE LYS 132 7.789 1.678 -23.608 990 2HE LYS 132 2HE LYS 132 6.020 1.668 -23.622 991 1HZ LYS 132 1HZ LYS 132 6.016 3.525 -24.871 992 2HZ LYS 132 2HZ LYS 132 7.076 4.298 -23.892 993 3HZ LYS 132 3HZ LYS 132 7.659 3.336 -25.078 994 H LEU 133 H LEU 133 9.422 4.824 -17.673 995 HA LEU 133 HA LEU 133 9.332 3.040 -15.470 996 1HB LEU 133 1HB LEU 133 9.528 5.728 -15.619 997 2HB LEU 133 2HB LEU 133 7.815 5.662 -15.452 998 HG LEU 133 HG LEU 133 8.072 4.481 -13.265 999 1HD1 LEU 133 1HD1 LEU 133 10.554 4.406 -12.378 1000 2HD1 LEU 133 2HD1 LEU 133 9.986 3.137 -13.407 1001 3HD1 LEU 133 3HD1 LEU 133 10.964 4.405 -14.115 1002 1HD2 LEU 133 1HD2 LEU 133 8.132 6.967 -13.379 1003 2HD2 LEU 133 2HD2 LEU 133 9.101 6.339 -12.040 1004 3HD2 LEU 133 3HD2 LEU 133 9.881 6.902 -13.550 1005 H CYS 134 H CYS 134 7.749 1.802 -14.693 1006 HA CYS 134 HA CYS 134 5.428 1.141 -16.150 1007 1HB CYS 134 1HB CYS 134 6.009 0.825 -13.183 1008 2HB CYS 134 2HB CYS 134 4.737 0.017 -14.030 1009 H SER 135 H SER 135 3.263 1.166 -14.718 1010 HA SER 135 HA SER 135 2.710 3.809 -13.572 1011 1HB SER 135 1HB SER 135 1.647 3.008 -16.303 1012 2HB SER 135 2HB SER 135 0.891 4.258 -15.279 1013 HG SER 135 HG SER 135 2.479 5.008 -16.872 1014 H HIS 136 H HIS 136 1.556 3.229 -11.934 1015 HA HIS 136 HA HIS 136 -0.263 0.873 -11.953 1016 1HB HIS 136 1HB HIS 136 -0.570 1.672 -9.519 1017 2HB HIS 136 2HB HIS 136 0.922 0.872 -9.977 1018 HD1 HIS 136 HD1 HIS 136 0.124 4.534 -10.436 1019 HD2 HIS 136 HD2 HIS 136 2.664 1.870 -8.539 1020 HE1 HIS 136 HE1 HIS 136 2.048 6.038 -9.321 1021 HE2 HIS 136 HE2 HIS 136 3.609 4.334 -8.131 Start of MODEL 20 1 1H ALA 1 H1 ALA 1 0.310 0.074 -0.219 2 2H ALA 1 H2 ALA 1 1.595 0.774 0.576 3 3H ALA 1 H3 ALA 1 1.471 -0.853 0.495 4 HA ALA 1 HA ALA 1 2.796 0.826 -1.218 5 1HB ALA 1 1HB ALA 1 3.100 -1.714 -0.386 6 2HB ALA 1 2HB ALA 1 2.294 -2.063 -1.922 7 3HB ALA 1 3HB ALA 1 3.809 -1.124 -1.904 8 H VAL 2 H VAL 2 1.878 2.104 -2.719 9 HA VAL 2 HA VAL 2 -0.661 1.356 -3.926 10 HB VAL 2 HB VAL 2 0.236 3.702 -3.282 11 1HG1 VAL 2 1HG1 VAL 2 1.645 3.350 -5.911 12 2HG1 VAL 2 2HG1 VAL 2 1.320 4.900 -5.149 13 3HG1 VAL 2 3HG1 VAL 2 2.386 3.710 -4.364 14 1HG2 VAL 2 1HG2 VAL 2 -1.798 3.890 -4.227 15 2HG2 VAL 2 2HG2 VAL 2 -0.893 4.540 -5.564 16 3HG2 VAL 2 3HG2 VAL 2 -1.416 2.840 -5.595 17 H THR 3 H THR 3 -0.983 0.366 -5.838 18 HA THR 3 HA THR 3 1.353 -0.722 -7.219 19 HB THR 3 HB THR 3 -1.575 -1.183 -7.890 20 HG1 THR 3 HG1 THR 3 0.012 -2.462 -5.944 21 1HG2 THR 3 1HG2 THR 3 0.133 -2.264 -9.313 22 2HG2 THR 3 2HG2 THR 3 0.953 -2.914 -7.889 23 3HG2 THR 3 3HG2 THR 3 -0.666 -3.478 -8.241 24 H TRP 4 H TRP 4 2.249 0.116 -9.046 25 HA TRP 4 HA TRP 4 1.012 2.515 -10.177 26 1HB TRP 4 1HB TRP 4 3.635 1.085 -10.725 27 2HB TRP 4 2HB TRP 4 3.077 2.568 -11.409 28 HD1 TRP 4 HD1 TRP 4 3.496 1.309 -7.757 29 HE1 TRP 4 HE1 TRP 4 4.582 3.211 -6.371 30 HE3 TRP 4 HE3 TRP 4 3.941 4.819 -11.393 31 HZ2 TRP 4 HZ2 TRP 4 5.502 5.875 -6.795 32 HZ3 TRP 4 HZ3 TRP 4 4.957 7.010 -10.934 33 HH2 TRP 4 HH2 TRP 4 5.765 7.559 -8.633 34 H THR 5 H THR 5 0.074 2.608 -12.205 35 HA THR 5 HA THR 5 0.105 0.097 -13.798 36 HB THR 5 HB THR 5 -2.166 1.465 -12.493 37 HG1 THR 5 HG1 THR 5 -1.575 -0.988 -13.754 38 1HG2 THR 5 1HG2 THR 5 -2.616 2.128 -14.890 39 2HG2 THR 5 2HG2 THR 5 -2.451 0.394 -15.339 40 3HG2 THR 5 3HG2 THR 5 -3.761 0.955 -14.257 41 H CYS 6 H CYS 6 0.520 0.315 -15.832 42 HA CYS 6 HA CYS 6 0.353 3.084 -17.018 43 1HB CYS 6 1HB CYS 6 2.735 1.503 -16.539 44 2HB CYS 6 2HB CYS 6 2.457 1.633 -18.233 45 H GLY 7 H GLY 7 -1.834 1.811 -17.349 46 1HA GLY 7 1HA GLY 7 -2.692 1.574 -19.767 47 2HA GLY 7 2HA GLY 7 -1.622 0.152 -19.845 48 H GLY 8 H GLY 8 -2.184 -1.727 -18.880 49 1HA GLY 8 1HA GLY 8 -4.741 -1.832 -17.327 50 2HA GLY 8 2HA GLY 8 -4.480 -2.902 -18.721 51 H LEU 9 H LEU 9 -1.545 -2.272 -17.092 52 HA LEU 9 HA LEU 9 -1.779 -4.839 -15.618 53 1HB LEU 9 1HB LEU 9 0.914 -3.914 -16.354 54 2HB LEU 9 2HB LEU 9 0.208 -5.497 -16.340 55 HG LEU 9 HG LEU 9 -1.106 -4.542 -18.540 56 1HD1 LEU 9 1HD1 LEU 9 1.032 -2.558 -18.039 57 2HD1 LEU 9 2HD1 LEU 9 1.110 -3.269 -19.645 58 3HD1 LEU 9 3HD1 LEU 9 -0.357 -2.471 -19.076 59 1HD2 LEU 9 1HD2 LEU 9 -0.070 -6.462 -18.915 60 2HD2 LEU 9 2HD2 LEU 9 1.013 -5.425 -19.833 61 3HD2 LEU 9 3HD2 LEU 9 1.482 -5.967 -18.203 62 H LEU 10 H LEU 10 -1.032 -4.900 -13.560 63 HA LEU 10 HA LEU 10 -0.470 -2.262 -12.294 64 1HB LEU 10 1HB LEU 10 -1.842 -4.808 -11.331 65 2HB LEU 10 2HB LEU 10 -1.188 -3.632 -10.268 66 HG LEU 10 HG LEU 10 -2.588 -1.860 -11.277 67 1HD1 LEU 10 1HD1 LEU 10 -3.873 -2.323 -13.125 68 2HD1 LEU 10 2HD1 LEU 10 -3.196 -3.951 -13.187 69 3HD1 LEU 10 3HD1 LEU 10 -4.653 -3.694 -12.312 70 1HD2 LEU 10 1HD2 LEU 10 -4.592 -3.667 -10.190 71 2HD2 LEU 10 2HD2 LEU 10 -3.127 -3.515 -9.224 72 3HD2 LEU 10 3HD2 LEU 10 -4.035 -2.069 -9.690 73 H TYR 11 H TYR 11 1.445 -1.933 -11.550 74 HA TYR 11 HA TYR 11 3.377 -4.157 -11.205 75 1HB TYR 11 1HB TYR 11 3.837 -1.222 -11.846 76 2HB TYR 11 2HB TYR 11 5.065 -2.485 -11.771 77 HD1 TYR 11 HD1 TYR 11 2.597 -0.787 -13.823 78 HD2 TYR 11 HD2 TYR 11 4.954 -4.383 -13.475 79 HE1 TYR 11 HE1 TYR 11 2.225 -1.282 -16.247 80 HE2 TYR 11 HE2 TYR 11 4.621 -4.827 -15.902 81 HH TYR 11 HH TYR 11 3.764 -4.128 -17.790 82 H ASN 12 H ASN 12 3.434 -4.634 -9.111 83 HA ASN 12 HA ASN 12 2.850 -2.831 -6.982 84 1HB ASN 12 1HB ASN 12 2.942 -5.344 -6.717 85 2HB ASN 12 2HB ASN 12 4.688 -5.257 -6.941 86 1HD2 ASN 12 1HD2 ASN 12 2.370 -3.291 -5.102 87 2HD2 ASN 12 2HD2 ASN 12 3.233 -3.448 -3.567 88 H GLN 13 H GLN 13 3.871 -0.991 -6.456 89 HA GLN 13 HA GLN 13 6.224 -0.200 -7.459 90 1HB GLN 13 1HB GLN 13 4.783 1.240 -6.029 91 2HB GLN 13 2HB GLN 13 5.194 0.319 -4.621 92 1HG GLN 13 1HG GLN 13 6.438 2.608 -5.028 93 2HG GLN 13 2HG GLN 13 7.397 1.202 -4.504 94 1HE2 GLN 13 1HE2 GLN 13 6.021 2.192 -7.697 95 2HE2 GLN 13 2HE2 GLN 13 7.599 2.083 -8.476 96 H ASN 14 H ASN 14 5.891 -2.022 -4.429 97 HA ASN 14 HA ASN 14 8.561 -2.095 -3.626 98 1HB ASN 14 1HB ASN 14 6.274 -3.421 -2.858 99 2HB ASN 14 2HB ASN 14 7.164 -4.735 -3.662 100 1HD2 ASN 14 1HD2 ASN 14 6.468 -4.302 -0.877 101 2HD2 ASN 14 2HD2 ASN 14 8.038 -4.396 -0.041 102 H LYS 15 H LYS 15 7.017 -3.886 -6.280 103 HA LYS 15 HA LYS 15 9.433 -5.425 -6.918 104 1HB LYS 15 1HB LYS 15 6.603 -5.356 -7.777 105 2HB LYS 15 2HB LYS 15 7.693 -5.572 -9.115 106 1HG LYS 15 1HG LYS 15 8.294 -7.648 -8.452 107 2HG LYS 15 2HG LYS 15 8.394 -7.255 -6.744 108 1HD LYS 15 1HD LYS 15 5.661 -7.430 -8.046 109 2HD LYS 15 2HD LYS 15 6.536 -8.877 -7.533 110 1HE LYS 15 1HE LYS 15 6.882 -7.706 -5.258 111 2HE LYS 15 2HE LYS 15 5.610 -6.609 -5.787 112 1HZ LYS 15 1HZ LYS 15 5.422 -9.534 -5.425 113 2HZ LYS 15 2HZ LYS 15 4.558 -8.375 -4.638 114 3HZ LYS 15 3HZ LYS 15 4.275 -8.701 -6.237 115 H ALA 16 H ALA 16 7.896 -2.389 -7.940 116 HA ALA 16 HA ALA 16 9.458 -2.023 -10.302 117 1HB ALA 16 1HB ALA 16 8.787 0.228 -10.113 118 2HB ALA 16 2HB ALA 16 7.372 -0.753 -9.544 119 3HB ALA 16 3HB ALA 16 8.459 0.076 -8.422 120 H GLU 17 H GLU 17 10.007 -1.227 -6.837 121 HA GLU 17 HA GLU 17 12.670 -0.140 -7.434 122 1HB GLU 17 1HB GLU 17 12.792 0.025 -4.914 123 2HB GLU 17 2HB GLU 17 11.558 1.026 -5.713 124 1HG GLU 17 1HG GLU 17 9.817 -0.366 -5.003 125 2HG GLU 17 2HG GLU 17 10.889 -1.695 -4.599 126 H SER 18 H SER 18 11.216 -3.051 -5.990 127 HA SER 18 HA SER 18 13.673 -4.203 -5.121 128 1HB SER 18 1HB SER 18 11.570 -4.958 -4.187 129 2HB SER 18 2HB SER 18 11.085 -5.598 -5.779 130 HG SER 18 HG SER 18 12.207 -6.890 -3.973 131 H ASN 19 H ASN 19 11.531 -5.033 -7.919 132 HA ASN 19 HA ASN 19 13.159 -6.859 -9.223 133 1HB ASN 19 1HB ASN 19 10.807 -6.158 -9.921 134 2HB ASN 19 2HB ASN 19 11.599 -4.729 -10.672 135 1HD2 ASN 19 1HD2 ASN 19 12.419 -8.163 -10.442 136 2HD2 ASN 19 2HD2 ASN 19 12.611 -8.334 -12.197 137 H SER 20 H SER 20 13.494 -3.398 -8.952 138 HA SER 20 HA SER 20 15.602 -3.289 -10.964 139 1HB SER 20 1HB SER 20 15.340 -1.054 -10.977 140 2HB SER 20 2HB SER 20 13.778 -1.507 -10.290 141 HG SER 20 HG SER 20 14.419 -0.044 -8.883 142 H HIS 21 H HIS 21 15.218 -3.296 -7.473 143 HA HIS 21 HA HIS 21 17.684 -2.392 -6.574 144 1HB HIS 21 1HB HIS 21 15.674 -4.354 -5.451 145 2HB HIS 21 2HB HIS 21 17.226 -4.344 -4.754 146 HD1 HIS 21 HD1 HIS 21 16.077 -3.463 -2.523 147 HD2 HIS 21 HD2 HIS 21 15.860 -0.899 -5.874 148 HE1 HIS 21 HE1 HIS 21 15.366 -1.137 -1.630 149 HE2 HIS 21 HE2 HIS 21 15.212 0.409 -3.688 150 H HIS 22 H HIS 22 16.815 -5.598 -7.950 151 HA HIS 22 HA HIS 22 19.411 -6.675 -7.459 152 1HB HIS 22 1HB HIS 22 17.768 -7.920 -9.556 153 2HB HIS 22 2HB HIS 22 18.482 -8.610 -8.117 154 HD1 HIS 22 HD1 HIS 22 15.473 -8.767 -9.454 155 HD2 HIS 22 HD2 HIS 22 16.748 -7.028 -5.860 156 HE1 HIS 22 HE1 HIS 22 13.372 -8.631 -7.923 157 HE2 HIS 22 HE2 HIS 22 14.160 -7.543 -5.714 158 H ALA 23 H ALA 23 17.653 -5.308 -10.274 159 HA ALA 23 HA ALA 23 19.315 -5.726 -12.285 160 1HB ALA 23 1HB ALA 23 18.170 -4.125 -13.323 161 2HB ALA 23 2HB ALA 23 17.182 -4.124 -11.901 162 3HB ALA 23 3HB ALA 23 18.461 -2.904 -12.037 163 HA PRO 24 HA PRO 24 23.174 -3.967 -11.020 164 1HB PRO 24 1HB PRO 24 24.461 -3.940 -13.520 165 2HB PRO 24 2HB PRO 24 24.310 -5.356 -12.418 166 1HG PRO 24 1HG PRO 24 22.921 -4.711 -14.874 167 2HG PRO 24 2HG PRO 24 23.123 -6.348 -14.132 168 1HD PRO 24 1HD PRO 24 20.784 -4.730 -14.138 169 2HD PRO 24 2HD PRO 24 21.064 -6.207 -13.218 170 H LEU 25 H LEU 25 23.457 -1.928 -10.509 171 HA LEU 25 HA LEU 25 22.244 0.206 -11.850 172 1HB LEU 25 1HB LEU 25 23.350 -0.129 -9.375 173 2HB LEU 25 2HB LEU 25 24.645 0.768 -10.155 174 HG LEU 25 HG LEU 25 23.323 2.677 -10.487 175 1HD1 LEU 25 1HD1 LEU 25 20.828 2.618 -9.845 176 2HD1 LEU 25 2HD1 LEU 25 21.321 2.048 -11.392 177 3HD1 LEU 25 3HD1 LEU 25 20.987 0.839 -10.155 178 1HD2 LEU 25 1HD2 LEU 25 24.033 2.511 -8.215 179 2HD2 LEU 25 2HD2 LEU 25 22.390 3.056 -8.203 180 3HD2 LEU 25 3HD2 LEU 25 22.712 1.396 -7.797 181 H SER 26 H SER 26 22.627 0.373 -13.969 182 HA SER 26 HA SER 26 25.000 1.727 -14.792 183 1HB SER 26 1HB SER 26 25.033 -1.217 -14.875 184 2HB SER 26 2HB SER 26 25.128 -0.554 -16.502 185 HG SER 26 HG SER 26 27.126 -0.211 -16.065 186 H ASP 27 H ASP 27 25.014 1.604 -17.367 187 HA ASP 27 HA ASP 27 22.204 1.920 -18.306 188 1HB ASP 27 1HB ASP 27 23.003 3.952 -18.387 189 2HB ASP 27 2HB ASP 27 24.658 3.489 -18.723 190 H GLY 28 H GLY 28 22.126 -0.321 -18.926 191 1HA GLY 28 1HA GLY 28 22.155 -1.840 -20.661 192 2HA GLY 28 2HA GLY 28 23.064 -0.665 -21.654 193 H LYS 29 H LYS 29 23.335 -3.068 -19.088 194 HA LYS 29 HA LYS 29 25.904 -3.978 -20.132 195 1HB LYS 29 1HB LYS 29 25.725 -2.286 -17.674 196 2HB LYS 29 2HB LYS 29 26.701 -3.722 -17.479 197 1HG LYS 29 1HG LYS 29 27.380 -2.482 -20.039 198 2HG LYS 29 2HG LYS 29 27.449 -1.282 -18.751 199 1HD LYS 29 1HD LYS 29 28.940 -2.827 -17.472 200 2HD LYS 29 2HD LYS 29 28.773 -4.043 -18.751 201 1HE LYS 29 1HE LYS 29 30.715 -3.088 -19.508 202 2HE LYS 29 2HE LYS 29 29.570 -2.007 -20.316 203 1HZ LYS 29 1HZ LYS 29 30.470 -0.327 -19.167 204 2HZ LYS 29 2HZ LYS 29 30.008 -1.011 -17.747 205 3HZ LYS 29 3HZ LYS 29 31.488 -1.343 -18.379 206 H THR 30 H THR 30 23.234 -5.011 -19.890 207 HA THR 30 HA THR 30 23.797 -7.327 -18.081 208 HB THR 30 HB THR 30 21.472 -7.397 -17.598 209 HG1 THR 30 HG1 THR 30 20.168 -5.865 -18.635 210 1HG2 THR 30 1HG2 THR 30 21.440 -5.725 -16.200 211 2HG2 THR 30 2HG2 THR 30 22.963 -5.141 -16.899 212 3HG2 THR 30 3HG2 THR 30 21.454 -4.467 -17.457 213 H GLY 31 H GLY 31 23.251 -9.343 -18.861 214 1HA GLY 31 1HA GLY 31 23.900 -10.063 -21.406 215 2HA GLY 31 2HA GLY 31 22.700 -10.945 -20.445 216 H SER 32 H SER 32 20.585 -9.344 -20.296 217 HA SER 32 HA SER 32 19.525 -9.527 -23.003 218 1HB SER 32 1HB SER 32 17.973 -10.043 -21.246 219 2HB SER 32 2HB SER 32 18.412 -8.580 -20.322 220 HG SER 32 HG SER 32 17.531 -7.343 -22.112 221 H SER 33 H SER 33 20.000 -6.798 -20.735 222 HA SER 33 HA SER 33 21.166 -4.979 -22.204 223 1HB SER 33 1HB SER 33 18.433 -5.327 -23.295 224 2HB SER 33 2HB SER 33 18.765 -3.657 -22.894 225 HG SER 33 HG SER 33 19.465 -4.193 -25.038 226 H TYR 34 H TYR 34 17.858 -4.833 -20.853 227 HA TYR 34 HA TYR 34 18.203 -2.534 -19.450 228 1HB TYR 34 1HB TYR 34 16.395 -4.874 -18.802 229 2HB TYR 34 2HB TYR 34 16.204 -3.225 -18.263 230 HD1 TYR 34 HD1 TYR 34 15.980 -5.524 -21.131 231 HD2 TYR 34 HD2 TYR 34 15.309 -1.503 -19.780 232 HE1 TYR 34 HE1 TYR 34 14.684 -5.026 -23.227 233 HE2 TYR 34 HE2 TYR 34 14.046 -1.042 -21.895 234 HH TYR 34 HH TYR 34 14.138 -2.882 -24.572 235 HA PRO 35 HA PRO 35 17.427 -1.640 -17.550 236 1HB PRO 35 1HB PRO 35 18.708 0.013 -15.756 237 2HB PRO 35 2HB PRO 35 17.356 -1.051 -15.390 238 1HG PRO 35 1HG PRO 35 20.190 -1.397 -14.673 239 2HG PRO 35 2HG PRO 35 18.718 -2.097 -13.968 240 1HD PRO 35 1HD PRO 35 20.583 -3.335 -15.775 241 2HD PRO 35 2HD PRO 35 19.079 -4.076 -15.169 242 H HIS 36 H HIS 36 18.001 0.646 -18.142 243 HA HIS 36 HA HIS 36 20.659 0.921 -19.294 244 1HB HIS 36 1HB HIS 36 19.792 1.470 -21.522 245 2HB HIS 36 2HB HIS 36 19.584 -0.232 -21.103 246 HD1 HIS 36 HD1 HIS 36 17.882 1.998 -23.029 247 HD2 HIS 36 HD2 HIS 36 16.736 -0.009 -19.551 248 HE1 HIS 36 HE1 HIS 36 15.287 1.872 -23.059 249 HE2 HIS 36 HE2 HIS 36 14.691 0.591 -20.879 250 H TRP 37 H TRP 37 20.763 3.156 -20.470 251 HA TRP 37 HA TRP 37 19.855 5.090 -18.469 252 1HB TRP 37 1HB TRP 37 21.952 5.498 -19.371 253 2HB TRP 37 2HB TRP 37 21.422 5.249 -21.016 254 HD1 TRP 37 HD1 TRP 37 20.621 7.760 -18.227 255 HE1 TRP 37 HE1 TRP 37 20.413 10.093 -19.331 256 HE3 TRP 37 HE3 TRP 37 21.451 6.396 -22.989 257 HZ2 TRP 37 HZ2 TRP 37 20.583 11.200 -21.939 258 HZ3 TRP 37 HZ3 TRP 37 21.462 8.100 -24.830 259 HH2 TRP 37 HH2 TRP 37 20.969 10.447 -24.273 260 H PHE 38 H PHE 38 18.130 6.197 -18.464 261 HA PHE 38 HA PHE 38 16.236 6.082 -20.697 262 1HB PHE 38 1HB PHE 38 15.445 5.363 -18.495 263 2HB PHE 38 2HB PHE 38 16.061 6.782 -17.727 264 HD1 PHE 38 HD1 PHE 38 13.801 6.025 -20.664 265 HD2 PHE 38 HD2 PHE 38 14.544 8.436 -17.190 266 HE1 PHE 38 HE1 PHE 38 11.711 7.329 -21.019 267 HE2 PHE 38 HE2 PHE 38 12.372 9.536 -17.448 268 HZ PHE 38 HZ PHE 38 10.977 9.048 -19.439 269 H THR 39 H THR 39 17.461 7.572 -21.942 270 HA THR 39 HA THR 39 18.332 10.086 -21.451 271 HB THR 39 HB THR 39 17.611 10.622 -23.722 272 HG1 THR 39 HG1 THR 39 15.765 9.858 -24.405 273 1HG2 THR 39 1HG2 THR 39 18.955 9.093 -24.679 274 2HG2 THR 39 2HG2 THR 39 18.925 8.214 -23.117 275 3HG2 THR 39 3HG2 THR 39 17.840 7.766 -24.385 276 H ASN 40 H ASN 40 14.946 9.090 -21.435 277 HA ASN 40 HA ASN 40 13.107 10.089 -20.587 278 1HB ASN 40 1HB ASN 40 14.720 10.673 -18.641 279 2HB ASN 40 2HB ASN 40 14.889 12.243 -19.411 280 1HD2 ASN 40 1HD2 ASN 40 14.086 13.401 -17.796 281 2HD2 ASN 40 2HD2 ASN 40 12.329 13.366 -17.410 282 H GLY 41 H GLY 41 14.816 11.115 -22.970 283 1HA GLY 41 1HA GLY 41 13.597 12.255 -24.799 284 2HA GLY 41 2HA GLY 41 13.140 13.427 -23.576 285 H TYR 42 H TYR 42 16.095 12.900 -22.496 286 HA TYR 42 HA TYR 42 17.277 15.211 -23.726 287 1HB TYR 42 1HB TYR 42 18.221 13.068 -21.792 288 2HB TYR 42 2HB TYR 42 19.264 14.312 -22.285 289 HD1 TYR 42 HD1 TYR 42 19.460 16.089 -20.874 290 HD2 TYR 42 HD2 TYR 42 15.688 14.051 -20.909 291 HE1 TYR 42 HE1 TYR 42 18.589 17.637 -19.131 292 HE2 TYR 42 HE2 TYR 42 14.870 15.538 -19.119 293 HH TYR 42 HH TYR 42 15.522 17.160 -17.534 294 H ASP 43 H ASP 43 19.530 15.160 -24.572 295 HA ASP 43 HA ASP 43 19.674 13.143 -26.729 296 1HB ASP 43 1HB ASP 43 20.737 15.841 -26.170 297 2HB ASP 43 2HB ASP 43 22.011 14.749 -26.684 298 H GLY 44 H GLY 44 21.479 14.135 -23.850 299 1HA GLY 44 1HA GLY 44 22.505 11.624 -23.169 300 2HA GLY 44 2HA GLY 44 23.715 12.387 -24.176 301 H ASP 45 H ASP 45 23.534 15.019 -23.395 302 HA ASP 45 HA ASP 45 24.043 14.966 -20.431 303 1HB ASP 45 1HB ASP 45 25.818 15.642 -22.687 304 2HB ASP 45 2HB ASP 45 25.571 17.017 -21.644 305 H GLY 46 H GLY 46 23.735 17.252 -23.172 306 1HA GLY 46 1HA GLY 46 22.654 19.367 -21.621 307 2HA GLY 46 2HA GLY 46 22.540 19.209 -23.405 308 H LYS 47 H LYS 47 20.500 20.308 -21.922 309 HA LYS 47 HA LYS 47 18.458 18.475 -21.188 310 1HB LYS 47 1HB LYS 47 18.389 21.375 -22.045 311 2HB LYS 47 2HB LYS 47 16.931 20.473 -21.627 312 1HG LYS 47 1HG LYS 47 18.557 19.853 -19.462 313 2HG LYS 47 2HG LYS 47 19.110 21.478 -19.839 314 1HD LYS 47 1HD LYS 47 16.130 20.856 -19.658 315 2HD LYS 47 2HD LYS 47 17.071 21.049 -18.185 316 1HE LYS 47 1HE LYS 47 17.827 23.293 -18.912 317 2HE LYS 47 2HE LYS 47 16.969 23.100 -20.449 318 1HZ LYS 47 1HZ LYS 47 15.309 24.109 -19.295 319 2HZ LYS 47 2HZ LYS 47 15.023 22.610 -18.666 320 3HZ LYS 47 3HZ LYS 47 15.892 23.688 -17.814 321 H LEU 48 H LEU 48 16.223 18.636 -22.366 322 HA LEU 48 HA LEU 48 16.558 16.985 -24.624 323 1HB LEU 48 1HB LEU 48 14.135 18.618 -23.704 324 2HB LEU 48 2HB LEU 48 14.107 17.424 -24.984 325 HG LEU 48 HG LEU 48 15.138 15.827 -23.152 326 1HD1 LEU 48 1HD1 LEU 48 13.941 18.053 -21.562 327 2HD1 LEU 48 2HD1 LEU 48 14.019 16.351 -21.008 328 3HD1 LEU 48 3HD1 LEU 48 15.487 17.227 -21.394 329 1HD2 LEU 48 1HD2 LEU 48 12.220 16.657 -23.377 330 2HD2 LEU 48 2HD2 LEU 48 13.124 15.398 -24.201 331 3HD2 LEU 48 3HD2 LEU 48 12.779 15.197 -22.516 332 HA PRO 49 HA PRO 49 17.225 19.790 -27.880 333 1HB PRO 49 1HB PRO 49 15.991 18.439 -30.020 334 2HB PRO 49 2HB PRO 49 17.604 18.073 -29.332 335 1HG PRO 49 1HG PRO 49 15.059 16.561 -29.038 336 2HG PRO 49 2HG PRO 49 16.755 16.007 -28.801 337 1HD PRO 49 1HD PRO 49 14.855 16.726 -26.798 338 2HD PRO 49 2HD PRO 49 16.557 16.290 -26.568 339 H LYS 50 H LYS 50 16.229 21.263 -29.362 340 HA LYS 50 HA LYS 50 13.884 22.479 -28.364 341 1HB LYS 50 1HB LYS 50 15.170 23.963 -29.463 342 2HB LYS 50 2HB LYS 50 15.615 22.859 -30.761 343 1HG LYS 50 1HG LYS 50 13.652 23.243 -31.992 344 2HG LYS 50 2HG LYS 50 12.737 23.752 -30.552 345 1HD LYS 50 1HD LYS 50 14.414 25.746 -30.539 346 2HD LYS 50 2HD LYS 50 14.691 25.289 -32.241 347 1HE LYS 50 1HE LYS 50 12.513 25.836 -32.875 348 2HE LYS 50 2HE LYS 50 11.833 25.472 -31.279 349 1HZ LYS 50 1HZ LYS 50 11.933 27.885 -31.782 350 2HZ LYS 50 2HZ LYS 50 12.750 27.480 -30.412 351 3HZ LYS 50 3HZ LYS 50 13.582 27.798 -31.790 352 H GLY 51 H GLY 51 12.260 21.021 -28.151 353 1HA GLY 51 1HA GLY 51 10.025 20.727 -29.376 354 2HA GLY 51 2HA GLY 51 11.009 19.987 -30.673 355 H ARG 52 H ARG 52 10.196 19.656 -27.200 356 HA ARG 52 HA ARG 52 9.548 16.945 -27.409 357 1HB ARG 52 1HB ARG 52 12.123 16.747 -27.682 358 2HB ARG 52 2HB ARG 52 12.259 17.413 -26.073 359 1HG ARG 52 1HG ARG 52 11.230 15.458 -25.138 360 2HG ARG 52 2HG ARG 52 10.475 14.988 -26.631 361 1HD ARG 52 1HD ARG 52 13.463 15.161 -26.667 362 2HD ARG 52 2HD ARG 52 12.721 13.872 -25.719 363 HE ARG 52 HE ARG 52 11.383 13.661 -28.025 364 1HH1 ARG 52 2HH2 ARG 52 14.773 13.674 -27.247 365 2HH1 ARG 52 1HH2 ARG 52 15.252 12.681 -28.579 366 1HH2 ARG 52 2HH1 ARG 52 11.967 12.375 -29.748 367 2HH2 ARG 52 1HH1 ARG 52 13.638 11.943 -30.013 368 H THR 53 H THR 53 9.124 15.961 -25.239 369 HA THR 53 HA THR 53 8.987 17.960 -23.089 370 HB THR 53 HB THR 53 6.685 16.716 -24.466 371 HG1 THR 53 HG1 THR 53 7.112 18.872 -24.778 372 1HG2 THR 53 1HG2 THR 53 6.492 15.969 -22.028 373 2HG2 THR 53 2HG2 THR 53 6.636 17.687 -21.581 374 3HG2 THR 53 3HG2 THR 53 5.259 17.095 -22.562 375 HA PRO 54 HA PRO 54 10.462 14.096 -21.289 376 1HB PRO 54 1HB PRO 54 11.415 15.269 -18.904 377 2HB PRO 54 2HB PRO 54 12.312 15.109 -20.421 378 1HG PRO 54 1HG PRO 54 11.049 17.535 -19.208 379 2HG PRO 54 2HG PRO 54 12.314 17.462 -20.401 380 1HD PRO 54 1HD PRO 54 9.604 18.010 -20.890 381 2HD PRO 54 2HD PRO 54 10.897 17.792 -22.104 382 H ILE 55 H ILE 55 10.234 13.221 -18.910 383 HA ILE 55 HA ILE 55 7.347 13.448 -18.305 384 HB ILE 55 HB ILE 55 9.317 11.404 -17.226 385 1HG1 ILE 55 1HG1 ILE 55 7.774 11.446 -19.864 386 2HG1 ILE 55 2HG1 ILE 55 9.502 11.200 -19.597 387 1HG2 ILE 55 1HG2 ILE 55 6.293 11.445 -17.586 388 2HG2 ILE 55 2HG2 ILE 55 7.241 10.127 -16.850 389 3HG2 ILE 55 3HG2 ILE 55 7.183 11.667 -16.045 390 1HD1 ILE 55 1HD1 ILE 55 7.292 9.282 -18.905 391 2HD1 ILE 55 2HD1 ILE 55 8.682 9.035 -19.991 392 3HD1 ILE 55 3HD1 ILE 55 8.921 9.128 -18.258 393 H LYS 56 H LYS 56 6.768 14.826 -16.797 394 HA LYS 56 HA LYS 56 8.749 15.758 -14.790 395 1HB LYS 56 1HB LYS 56 7.505 17.521 -15.598 396 2HB LYS 56 2HB LYS 56 5.993 16.634 -15.683 397 1HG LYS 56 1HG LYS 56 7.330 17.201 -12.996 398 2HG LYS 56 2HG LYS 56 6.330 18.416 -13.786 399 1HD LYS 56 1HD LYS 56 4.804 16.023 -13.941 400 2HD LYS 56 2HD LYS 56 5.494 15.999 -12.314 401 1HE LYS 56 1HE LYS 56 4.420 17.982 -11.702 402 2HE LYS 56 2HE LYS 56 4.254 18.516 -13.392 403 1HZ LYS 56 1HZ LYS 56 2.852 16.270 -13.444 404 2HZ LYS 56 2HZ LYS 56 2.549 16.718 -11.888 405 3HZ LYS 56 3HZ LYS 56 2.172 17.741 -13.131 406 H PHE 57 H PHE 57 8.920 15.029 -12.843 407 HA PHE 57 HA PHE 57 6.880 13.109 -11.757 408 1HB PHE 57 1HB PHE 57 9.746 13.382 -10.851 409 2HB PHE 57 2HB PHE 57 8.669 12.007 -10.692 410 HD1 PHE 57 HD1 PHE 57 10.967 13.902 -12.920 411 HD2 PHE 57 HD2 PHE 57 8.414 10.508 -12.533 412 HE1 PHE 57 HE1 PHE 57 11.974 12.918 -14.964 413 HE2 PHE 57 HE2 PHE 57 9.341 9.527 -14.680 414 HZ PHE 57 HZ PHE 57 11.152 10.761 -15.862 415 H GLY 58 H GLY 58 9.263 15.554 -10.710 416 1HA GLY 58 1HA GLY 58 8.108 17.406 -9.323 417 2HA GLY 58 2HA GLY 58 7.677 16.047 -8.251 418 H LYS 59 H LYS 59 10.465 14.963 -9.348 419 HA LYS 59 HA LYS 59 11.991 16.129 -7.087 420 1HB LYS 59 1HB LYS 59 12.459 13.659 -8.838 421 2HB LYS 59 2HB LYS 59 13.560 14.232 -7.587 422 1HG LYS 59 1HG LYS 59 10.837 14.087 -6.475 423 2HG LYS 59 2HG LYS 59 11.198 12.581 -7.302 424 1HD LYS 59 1HD LYS 59 12.128 12.054 -5.266 425 2HD LYS 59 2HD LYS 59 13.536 12.851 -5.957 426 1HE LYS 59 1HE LYS 59 12.325 15.051 -4.946 427 2HE LYS 59 2HE LYS 59 11.560 13.846 -3.900 428 1HZ LYS 59 1HZ LYS 59 14.274 14.796 -3.897 429 2HZ LYS 59 2HZ LYS 59 13.456 13.983 -2.708 430 3HZ LYS 59 3HZ LYS 59 14.223 13.179 -3.934 431 H SER 60 H SER 60 13.738 17.345 -7.255 432 HA SER 60 HA SER 60 14.206 18.544 -9.843 433 1HB SER 60 1HB SER 60 15.787 19.980 -8.639 434 2HB SER 60 2HB SER 60 14.206 19.925 -7.840 435 HG SER 60 HG SER 60 16.605 19.231 -6.870 436 H ASP 61 H ASP 61 15.102 15.641 -8.678 437 HA ASP 61 HA ASP 61 17.945 15.683 -9.389 438 1HB ASP 61 1HB ASP 61 16.089 13.422 -8.542 439 2HB ASP 61 2HB ASP 61 17.824 13.271 -8.829 440 H CYS 62 H CYS 62 14.930 13.921 -10.360 441 HA CYS 62 HA CYS 62 16.196 12.882 -12.721 442 1HB CYS 62 1HB CYS 62 13.210 13.143 -12.453 443 2HB CYS 62 2HB CYS 62 14.121 11.825 -13.117 444 H ASP 63 H ASP 63 14.367 15.771 -11.858 445 HA ASP 63 HA ASP 63 13.719 16.642 -14.529 446 1HB ASP 63 1HB ASP 63 12.621 17.528 -12.481 447 2HB ASP 63 2HB ASP 63 14.179 18.203 -11.957 448 H ARG 64 H ARG 64 16.517 17.065 -12.310 449 HA ARG 64 HA ARG 64 17.817 19.070 -13.679 450 1HB ARG 64 1HB ARG 64 19.449 18.667 -12.166 451 2HB ARG 64 2HB ARG 64 18.367 17.490 -11.512 452 1HG ARG 64 1HG ARG 64 19.409 15.667 -12.808 453 2HG ARG 64 2HG ARG 64 20.515 16.761 -13.497 454 1HD ARG 64 1HD ARG 64 21.268 15.446 -11.530 455 2HD ARG 64 2HD ARG 64 21.763 17.150 -11.800 456 HE ARG 64 HE ARG 64 19.428 16.676 -10.110 457 1HH1 ARG 64 2HH2 ARG 64 22.805 17.338 -10.221 458 2HH1 ARG 64 1HH2 ARG 64 22.901 17.924 -8.579 459 1HH2 ARG 64 2HH1 ARG 64 19.516 17.376 -8.012 460 2HH2 ARG 64 1HH1 ARG 64 20.998 17.949 -7.336 461 HA PRO 65 HA PRO 65 19.413 17.286 -17.273 462 1HB PRO 65 1HB PRO 65 22.000 18.320 -17.489 463 2HB PRO 65 2HB PRO 65 20.460 19.134 -17.919 464 1HG PRO 65 1HG PRO 65 22.204 19.580 -15.547 465 2HG PRO 65 2HG PRO 65 20.966 20.666 -16.277 466 1HD PRO 65 1HD PRO 65 20.718 19.007 -13.968 467 2HD PRO 65 2HD PRO 65 19.452 20.015 -14.711 468 HA PRO 66 HA PRO 66 21.664 13.672 -15.843 469 1HB PRO 66 1HB PRO 66 21.521 12.235 -18.251 470 2HB PRO 66 2HB PRO 66 20.185 12.348 -17.048 471 1HG PRO 66 1HG PRO 66 20.329 13.618 -19.693 472 2HG PRO 66 2HG PRO 66 18.910 13.265 -18.638 473 1HD PRO 66 1HD PRO 66 20.327 15.754 -18.929 474 2HD PRO 66 2HD PRO 66 18.947 15.343 -17.835 475 H LYS 67 H LYS 67 23.526 12.335 -16.588 476 HA LYS 67 HA LYS 67 25.408 13.924 -18.321 477 1HB LYS 67 1HB LYS 67 25.865 14.582 -16.030 478 2HB LYS 67 2HB LYS 67 25.978 12.913 -15.497 479 1HG LYS 67 1HG LYS 67 28.172 12.871 -16.042 480 2HG LYS 67 2HG LYS 67 27.796 13.165 -17.742 481 1HD LYS 67 1HD LYS 67 27.823 15.537 -17.471 482 2HD LYS 67 2HD LYS 67 28.033 15.377 -15.714 483 1HE LYS 67 1HE LYS 67 30.162 13.997 -16.309 484 2HE LYS 67 2HE LYS 67 29.967 14.656 -17.946 485 1HZ LYS 67 1HZ LYS 67 30.421 16.154 -15.434 486 2HZ LYS 67 2HZ LYS 67 31.352 16.164 -16.809 487 3HZ LYS 67 3HZ LYS 67 29.880 16.885 -16.814 488 H HIS 68 H HIS 68 24.423 12.178 -19.753 489 HA HIS 68 HA HIS 68 25.493 9.434 -19.171 490 1HB HIS 68 1HB HIS 68 23.254 9.673 -20.141 491 2HB HIS 68 2HB HIS 68 23.856 10.587 -21.481 492 HD1 HIS 68 HD1 HIS 68 25.041 9.498 -23.437 493 HD2 HIS 68 HD2 HIS 68 23.826 6.879 -20.392 494 HE1 HIS 68 HE1 HIS 68 25.237 7.059 -24.359 495 HE2 HIS 68 HE2 HIS 68 24.489 5.524 -22.315 496 H SER 69 H SER 69 26.763 8.356 -20.814 497 HA SER 69 HA SER 69 28.442 10.071 -22.544 498 1HB SER 69 1HB SER 69 29.305 9.153 -19.956 499 2HB SER 69 2HB SER 69 30.233 8.315 -21.190 500 HG SER 69 HG SER 69 30.742 10.604 -20.360 501 H LYS 70 H LYS 70 30.268 8.410 -23.426 502 HA LYS 70 HA LYS 70 28.638 6.270 -24.735 503 1HB LYS 70 1HB LYS 70 30.818 8.040 -25.518 504 2HB LYS 70 2HB LYS 70 31.292 6.395 -25.846 505 1HG LYS 70 1HG LYS 70 29.707 6.014 -27.424 506 2HG LYS 70 2HG LYS 70 28.489 7.046 -26.662 507 1HD LYS 70 1HD LYS 70 29.208 8.059 -28.743 508 2HD LYS 70 2HD LYS 70 29.638 9.065 -27.355 509 1HE LYS 70 1HE LYS 70 31.805 7.199 -27.867 510 2HE LYS 70 2HE LYS 70 31.371 7.955 -29.406 511 1HZ LYS 70 1HZ LYS 70 31.935 10.034 -28.601 512 2HZ LYS 70 2HZ LYS 70 31.680 9.646 -27.027 513 3HZ LYS 70 3HZ LYS 70 33.040 9.115 -27.779 514 H ASP 71 H ASP 71 28.520 5.237 -22.633 515 HA ASP 71 HA ASP 71 30.171 2.920 -22.611 516 1HB ASP 71 1HB ASP 71 31.274 5.225 -21.136 517 2HB ASP 71 2HB ASP 71 30.884 3.935 -20.026 518 H GLY 72 H GLY 72 28.339 5.241 -20.594 519 1HA GLY 72 1HA GLY 72 26.097 4.194 -20.052 520 2HA GLY 72 2HA GLY 72 27.034 3.001 -19.145 521 H ASN 73 H ASN 73 28.768 4.062 -17.665 522 HA ASN 73 HA ASN 73 27.797 6.552 -16.490 523 1HB ASN 73 1HB ASN 73 26.615 4.539 -15.358 524 2HB ASN 73 2HB ASN 73 28.182 4.141 -14.691 525 1HD2 ASN 73 1HD2 ASN 73 29.339 6.026 -13.649 526 2HD2 ASN 73 2HD2 ASN 73 28.287 7.018 -12.660 527 H GLY 74 H GLY 74 29.847 7.122 -17.568 528 1HA GLY 74 1HA GLY 74 32.363 5.949 -16.745 529 2HA GLY 74 2HA GLY 74 32.140 7.535 -17.557 530 H LYS 75 H LYS 75 32.246 9.336 -16.344 531 HA LYS 75 HA LYS 75 33.545 9.319 -13.812 532 1HB LYS 75 1HB LYS 75 31.933 11.436 -15.332 533 2HB LYS 75 2HB LYS 75 32.568 11.767 -13.715 534 1HG LYS 75 1HG LYS 75 34.760 10.623 -15.108 535 2HG LYS 75 2HG LYS 75 33.987 11.693 -16.286 536 1HD LYS 75 1HD LYS 75 34.145 13.579 -14.723 537 2HD LYS 75 2HD LYS 75 34.713 12.497 -13.428 538 1HE LYS 75 1HE LYS 75 36.669 11.900 -15.012 539 2HE LYS 75 2HE LYS 75 36.169 13.298 -15.980 540 1HZ LYS 75 1HZ LYS 75 37.807 14.030 -14.415 541 2HZ LYS 75 2HZ LYS 75 36.372 14.613 -13.860 542 3HZ LYS 75 3HZ LYS 75 37.058 13.301 -13.148 543 H THR 76 H THR 76 30.450 10.921 -13.863 544 HA THR 76 HA THR 76 29.482 9.035 -11.781 545 HB THR 76 HB THR 76 30.672 11.358 -10.996 546 HG1 THR 76 HG1 THR 76 28.447 9.998 -9.970 547 1HG2 THR 76 1HG2 THR 76 27.823 12.084 -10.528 548 2HG2 THR 76 2HG2 THR 76 29.221 13.144 -10.514 549 3HG2 THR 76 3HG2 THR 76 28.548 12.608 -12.068 550 H ASP 77 H ASP 77 28.821 9.520 -14.658 551 HA ASP 77 HA ASP 77 26.820 10.962 -15.380 552 1HB ASP 77 1HB ASP 77 26.712 7.949 -15.580 553 2HB ASP 77 2HB ASP 77 25.854 9.012 -16.596 554 H HIS 78 H HIS 78 25.397 11.838 -13.906 555 HA HIS 78 HA HIS 78 23.895 9.943 -12.184 556 1HB HIS 78 1HB HIS 78 23.108 11.916 -11.007 557 2HB HIS 78 2HB HIS 78 24.861 11.793 -11.020 558 HD1 HIS 78 HD1 HIS 78 21.987 13.782 -12.446 559 HD2 HIS 78 HD2 HIS 78 26.196 13.735 -12.458 560 HE1 HIS 78 HE1 HIS 78 22.783 16.097 -13.396 561 HE2 HIS 78 HE2 HIS 78 25.319 16.064 -13.395 562 H TYR 79 H TYR 79 23.426 9.804 -14.903 563 HA TYR 79 HA TYR 79 21.058 11.185 -15.718 564 1HB TYR 79 1HB TYR 79 21.220 9.692 -17.524 565 2HB TYR 79 2HB TYR 79 22.806 10.352 -17.304 566 HD1 TYR 79 HD1 TYR 79 22.484 7.940 -14.623 567 HD2 TYR 79 HD2 TYR 79 23.106 8.094 -18.862 568 HE1 TYR 79 HE1 TYR 79 23.479 5.893 -14.458 569 HE2 TYR 79 HE2 TYR 79 24.034 5.856 -18.675 570 HH TYR 79 HH TYR 79 25.277 4.566 -16.869 571 H LEU 80 H LEU 80 19.309 9.646 -16.668 572 HA LEU 80 HA LEU 80 18.287 8.123 -14.305 573 1HB LEU 80 1HB LEU 80 17.052 9.628 -16.598 574 2HB LEU 80 2HB LEU 80 16.158 8.259 -15.932 575 HG LEU 80 HG LEU 80 17.277 10.245 -13.998 576 1HD1 LEU 80 1HD1 LEU 80 14.521 10.918 -14.972 577 2HD1 LEU 80 2HD1 LEU 80 15.910 11.938 -14.514 578 3HD1 LEU 80 3HD1 LEU 80 15.809 11.279 -16.098 579 1HD2 LEU 80 1HD2 LEU 80 14.479 9.299 -13.674 580 2HD2 LEU 80 2HD2 LEU 80 15.685 8.037 -13.829 581 3HD2 LEU 80 3HD2 LEU 80 15.750 9.271 -12.565 582 H LEU 81 H LEU 81 17.410 6.034 -14.542 583 HA LEU 81 HA LEU 81 18.057 4.706 -17.099 584 1HB LEU 81 1HB LEU 81 18.733 3.474 -14.407 585 2HB LEU 81 2HB LEU 81 19.221 2.872 -15.911 586 HG LEU 81 HG LEU 81 20.270 5.628 -15.224 587 1HD1 LEU 81 1HD1 LEU 81 20.899 3.127 -13.759 588 2HD1 LEU 81 2HD1 LEU 81 22.176 4.277 -14.115 589 3HD1 LEU 81 3HD1 LEU 81 20.729 4.840 -13.262 590 1HD2 LEU 81 1HD2 LEU 81 20.800 3.606 -17.205 591 2HD2 LEU 81 2HD2 LEU 81 21.402 5.252 -17.012 592 3HD2 LEU 81 3HD2 LEU 81 22.141 3.810 -16.222 593 H GLU 82 H GLU 82 16.555 3.315 -17.772 594 HA GLU 82 HA GLU 82 14.247 2.949 -15.957 595 1HB GLU 82 1HB GLU 82 12.873 2.666 -17.864 596 2HB GLU 82 2HB GLU 82 13.893 4.074 -18.198 597 1HG GLU 82 1HG GLU 82 14.575 1.393 -19.201 598 2HG GLU 82 2HG GLU 82 13.469 2.404 -20.046 599 H PHE 83 H PHE 83 13.233 0.938 -15.762 600 HA PHE 83 HA PHE 83 14.772 -1.362 -16.833 601 1HB PHE 83 1HB PHE 83 15.507 -0.717 -14.506 602 2HB PHE 83 2HB PHE 83 13.903 -1.102 -13.998 603 HD1 PHE 83 HD1 PHE 83 13.469 -3.113 -12.973 604 HD2 PHE 83 HD2 PHE 83 16.453 -2.833 -16.049 605 HE1 PHE 83 HE1 PHE 83 14.107 -5.517 -12.717 606 HE2 PHE 83 HE2 PHE 83 17.088 -5.216 -15.716 607 HZ PHE 83 HZ PHE 83 15.845 -6.486 -13.990 608 HA PRO 84 HA PRO 84 10.551 -2.712 -17.483 609 1HB PRO 84 1HB PRO 84 11.122 -5.226 -18.528 610 2HB PRO 84 2HB PRO 84 11.144 -3.692 -19.453 611 1HG PRO 84 1HG PRO 84 13.430 -5.327 -18.494 612 2HG PRO 84 2HG PRO 84 13.332 -4.110 -19.805 613 1HD PRO 84 1HD PRO 84 14.362 -3.799 -17.146 614 2HD PRO 84 2HD PRO 84 14.161 -2.532 -18.374 615 H THR 85 H THR 85 9.518 -2.949 -15.664 616 HA THR 85 HA THR 85 10.173 -5.286 -13.968 617 HB THR 85 HB THR 85 10.388 -3.406 -12.609 618 HG1 THR 85 HG1 THR 85 9.019 -4.649 -11.501 619 1HG2 THR 85 1HG2 THR 85 8.381 -1.679 -12.570 620 2HG2 THR 85 2HG2 THR 85 9.658 -1.519 -13.797 621 3HG2 THR 85 3HG2 THR 85 8.100 -2.249 -14.213 622 H PHE 86 H PHE 86 8.968 -6.967 -14.225 623 HA PHE 86 HA PHE 86 6.374 -6.756 -15.510 624 1HB PHE 86 1HB PHE 86 7.920 -9.105 -14.324 625 2HB PHE 86 2HB PHE 86 6.460 -9.274 -15.271 626 HD1 PHE 86 HD1 PHE 86 10.010 -8.145 -15.425 627 HD2 PHE 86 HD2 PHE 86 6.469 -9.214 -17.668 628 HE1 PHE 86 HE1 PHE 86 11.307 -8.131 -17.569 629 HE2 PHE 86 HE2 PHE 86 7.837 -9.276 -19.766 630 HZ PHE 86 HZ PHE 86 10.271 -8.739 -19.633 631 HA PRO 87 HA PRO 87 3.953 -6.909 -11.834 632 1HB PRO 87 1HB PRO 87 1.719 -8.356 -12.721 633 2HB PRO 87 2HB PRO 87 2.062 -6.643 -13.076 634 1HG PRO 87 1HG PRO 87 2.236 -8.925 -14.909 635 2HG PRO 87 2HG PRO 87 2.065 -7.165 -15.256 636 1HD PRO 87 1HD PRO 87 4.423 -8.765 -15.387 637 2HD PRO 87 2HD PRO 87 4.294 -7.006 -15.625 638 H ASP 88 H ASP 88 4.090 -10.065 -13.559 639 HA ASP 88 HA ASP 88 3.408 -11.849 -11.647 640 1HB ASP 88 1HB ASP 88 5.541 -11.795 -13.755 641 2HB ASP 88 2HB ASP 88 5.730 -13.030 -12.525 642 H GLY 89 H GLY 89 6.213 -9.789 -11.620 643 1HA GLY 89 1HA GLY 89 7.411 -9.091 -9.776 644 2HA GLY 89 2HA GLY 89 6.729 -10.466 -8.846 645 H HIS 90 H HIS 90 7.547 -11.934 -11.521 646 HA HIS 90 HA HIS 90 9.827 -13.212 -10.405 647 1HB HIS 90 1HB HIS 90 9.889 -14.542 -12.376 648 2HB HIS 90 2HB HIS 90 8.194 -14.241 -12.013 649 HD1 HIS 90 HD1 HIS 90 6.814 -13.791 -14.149 650 HD2 HIS 90 HD2 HIS 90 10.847 -12.481 -14.390 651 HE1 HIS 90 HE1 HIS 90 7.119 -12.750 -16.452 652 HE2 HIS 90 HE2 HIS 90 9.542 -11.881 -16.589 653 H ASP 91 H ASP 91 11.914 -12.721 -10.483 654 HA ASP 91 HA ASP 91 12.831 -10.204 -11.446 655 1HB ASP 91 1HB ASP 91 13.948 -11.352 -9.613 656 2HB ASP 91 2HB ASP 91 14.295 -12.752 -10.655 657 H TYR 92 H TYR 92 12.291 -9.988 -13.631 658 HA TYR 92 HA TYR 92 12.434 -11.580 -15.746 659 1HB TYR 92 1HB TYR 92 11.953 -9.260 -15.877 660 2HB TYR 92 2HB TYR 92 13.508 -8.771 -15.364 661 HD1 TYR 92 HD1 TYR 92 12.620 -11.322 -18.004 662 HD2 TYR 92 HD2 TYR 92 14.358 -7.472 -17.125 663 HE1 TYR 92 HE1 TYR 92 13.482 -11.166 -20.343 664 HE2 TYR 92 HE2 TYR 92 15.211 -7.341 -19.481 665 HH TYR 92 HH TYR 92 15.623 -8.668 -21.364 666 H LYS 93 H LYS 93 13.921 -12.553 -17.113 667 HA LYS 93 HA LYS 93 16.560 -12.985 -15.958 668 1HB LYS 93 1HB LYS 93 16.834 -14.447 -17.886 669 2HB LYS 93 2HB LYS 93 15.471 -14.897 -16.869 670 1HG LYS 93 1HG LYS 93 13.836 -14.013 -18.389 671 2HG LYS 93 2HG LYS 93 15.038 -13.159 -19.355 672 1HD LYS 93 1HD LYS 93 14.597 -16.155 -19.177 673 2HD LYS 93 2HD LYS 93 14.372 -15.130 -20.570 674 1HE LYS 93 1HE LYS 93 16.440 -15.678 -21.213 675 2HE LYS 93 2HE LYS 93 16.997 -14.558 -19.976 676 1HZ LYS 93 1HZ LYS 93 16.394 -17.416 -19.401 677 2HZ LYS 93 2HZ LYS 93 17.907 -16.869 -19.838 678 3HZ LYS 93 3HZ LYS 93 17.190 -16.341 -18.452 679 H PHE 94 H PHE 94 16.695 -10.503 -16.172 680 HA PHE 94 HA PHE 94 17.481 -9.456 -18.759 681 1HB PHE 94 1HB PHE 94 18.139 -7.462 -17.349 682 2HB PHE 94 2HB PHE 94 16.488 -7.929 -17.208 683 HD1 PHE 94 HD1 PHE 94 15.551 -8.743 -15.170 684 HD2 PHE 94 HD2 PHE 94 19.738 -7.962 -15.458 685 HE1 PHE 94 HE1 PHE 94 15.722 -9.017 -12.725 686 HE2 PHE 94 HE2 PHE 94 19.927 -8.172 -12.970 687 HZ PHE 94 HZ PHE 94 17.893 -8.715 -11.603 688 H ASP 95 H ASP 95 18.968 -11.476 -16.542 689 HA ASP 95 HA ASP 95 21.689 -10.404 -16.934 690 1HB ASP 95 1HB ASP 95 20.476 -11.645 -14.784 691 2HB ASP 95 2HB ASP 95 21.188 -13.041 -15.594 692 H SER 96 H SER 96 19.578 -13.099 -17.816 693 HA SER 96 HA SER 96 21.674 -14.624 -19.152 694 1HB SER 96 1HB SER 96 18.713 -14.837 -18.856 695 2HB SER 96 2HB SER 96 19.514 -15.766 -20.158 696 HG SER 96 HG SER 96 19.323 -16.812 -17.902 697 H LYS 97 H LYS 97 22.601 -13.633 -20.796 698 HA LYS 97 HA LYS 97 21.338 -11.830 -22.600 699 1HB LYS 97 1HB LYS 97 23.362 -11.763 -23.743 700 2HB LYS 97 2HB LYS 97 23.882 -12.364 -22.166 701 1HG LYS 97 1HG LYS 97 23.833 -14.680 -23.012 702 2HG LYS 97 2HG LYS 97 23.336 -14.067 -24.615 703 1HD LYS 97 1HD LYS 97 25.256 -13.247 -25.228 704 2HD LYS 97 2HD LYS 97 25.788 -12.878 -23.575 705 1HE LYS 97 1HE LYS 97 26.998 -14.760 -23.549 706 2HE LYS 97 2HE LYS 97 25.498 -15.688 -23.573 707 1HZ LYS 97 1HZ LYS 97 25.953 -14.883 -26.176 708 2HZ LYS 97 2HZ LYS 97 27.414 -15.394 -25.636 709 3HZ LYS 97 3HZ LYS 97 26.124 -16.416 -25.583 710 H LYS 98 H LYS 98 21.927 -15.282 -22.942 711 HA LYS 98 HA LYS 98 19.686 -15.350 -24.664 712 1HB LYS 98 1HB LYS 98 22.157 -15.296 -25.866 713 2HB LYS 98 2HB LYS 98 21.768 -17.012 -25.905 714 1HG LYS 98 1HG LYS 98 19.574 -15.041 -26.678 715 2HG LYS 98 2HG LYS 98 20.947 -15.169 -27.759 716 1HD LYS 98 1HD LYS 98 20.640 -17.633 -27.902 717 2HD LYS 98 2HD LYS 98 19.280 -17.537 -26.795 718 1HE LYS 98 1HE LYS 98 18.264 -15.828 -28.494 719 2HE LYS 98 2HE LYS 98 19.495 -16.428 -29.613 720 1HZ LYS 98 1HZ LYS 98 17.055 -17.605 -29.040 721 2HZ LYS 98 2HZ LYS 98 18.254 -18.248 -29.956 722 3HZ LYS 98 3HZ LYS 98 18.176 -18.603 -28.359 723 HA PRO 99 HA PRO 99 18.233 -16.594 -25.325 724 1HB PRO 99 1HB PRO 99 15.892 -17.494 -24.284 725 2HB PRO 99 2HB PRO 99 16.880 -18.305 -25.544 726 1HG PRO 99 1HG PRO 99 16.541 -19.012 -22.672 727 2HG PRO 99 2HG PRO 99 17.065 -20.044 -24.049 728 1HD PRO 99 1HD PRO 99 18.723 -18.819 -22.026 729 2HD PRO 99 2HD PRO 99 19.267 -19.753 -23.452 730 H LYS 100 H LYS 100 16.179 -15.225 -24.838 731 HA LYS 100 HA LYS 100 16.311 -13.891 -22.217 732 1HB LYS 100 1HB LYS 100 17.801 -12.454 -23.117 733 2HB LYS 100 2HB LYS 100 17.259 -12.699 -24.785 734 1HG LYS 100 1HG LYS 100 15.187 -11.413 -24.295 735 2HG LYS 100 2HG LYS 100 15.788 -11.134 -22.634 736 1HD LYS 100 1HD LYS 100 17.654 -9.944 -23.621 737 2HD LYS 100 2HD LYS 100 17.224 -10.329 -25.234 738 1HE LYS 100 1HE LYS 100 15.149 -8.960 -23.495 739 2HE LYS 100 2HE LYS 100 16.482 -7.983 -24.125 740 1HZ LYS 100 1HZ LYS 100 15.300 -9.690 -26.063 741 2HZ LYS 100 2HZ LYS 100 14.222 -8.618 -25.466 742 3HZ LYS 100 3HZ LYS 100 15.647 -8.084 -26.170 743 H GLU 101 H GLU 101 14.372 -13.309 -21.515 744 HA GLU 101 HA GLU 101 12.083 -14.094 -23.116 745 1HB GLU 101 1HB GLU 101 12.573 -13.955 -20.412 746 2HB GLU 101 2HB GLU 101 11.651 -12.484 -20.636 747 1HG GLU 101 1HG GLU 101 9.819 -13.733 -21.669 748 2HG GLU 101 2HG GLU 101 10.781 -15.220 -21.690 749 H ASN 102 H ASN 102 10.135 -12.527 -23.081 750 HA ASN 102 HA ASN 102 10.935 -10.362 -24.751 751 1HB ASN 102 1HB ASN 102 8.484 -11.744 -24.123 752 2HB ASN 102 2HB ASN 102 8.224 -10.057 -23.687 753 1HD2 ASN 102 1HD2 ASN 102 6.621 -10.378 -25.422 754 2HD2 ASN 102 2HD2 ASN 102 7.175 -10.023 -27.074 755 HA PRO 103 HA PRO 103 11.365 -7.221 -21.700 756 1HB PRO 103 1HB PRO 103 10.799 -4.927 -23.267 757 2HB PRO 103 2HB PRO 103 12.328 -5.831 -23.243 758 1HG PRO 103 1HG PRO 103 10.165 -5.789 -25.293 759 2HG PRO 103 2HG PRO 103 11.903 -6.225 -25.470 760 1HD PRO 103 1HD PRO 103 9.647 -7.976 -25.246 761 2HD PRO 103 2HD PRO 103 11.374 -8.424 -25.320 762 H GLY 104 H GLY 104 9.980 -4.788 -21.505 763 1HA GLY 104 1HA GLY 104 7.165 -5.508 -21.246 764 2HA GLY 104 2HA GLY 104 8.025 -5.075 -19.738 765 HA PRO 105 HA PRO 105 6.723 -1.241 -22.212 766 1HB PRO 105 1HB PRO 105 4.177 -0.736 -21.139 767 2HB PRO 105 2HB PRO 105 4.508 -1.555 -22.691 768 1HG PRO 105 1HG PRO 105 3.598 -2.727 -20.115 769 2HG PRO 105 2HG PRO 105 3.466 -3.392 -21.776 770 1HD PRO 105 1HD PRO 105 5.362 -4.115 -19.736 771 2HD PRO 105 2HD PRO 105 5.293 -4.674 -21.431 772 H ALA 106 H ALA 106 5.133 -1.614 -18.994 773 HA ALA 106 HA ALA 106 6.030 0.896 -18.056 774 1HB ALA 106 1HB ALA 106 5.126 0.215 -15.966 775 2HB ALA 106 2HB ALA 106 4.151 -0.553 -17.233 776 3HB ALA 106 3HB ALA 106 5.410 -1.490 -16.347 777 H ARG 107 H ARG 107 7.727 1.565 -16.913 778 HA ARG 107 HA ARG 107 9.729 -0.393 -16.081 779 1HB ARG 107 1HB ARG 107 10.313 1.917 -18.027 780 2HB ARG 107 2HB ARG 107 11.537 0.981 -17.167 781 1HG ARG 107 1HG ARG 107 10.144 -1.036 -18.341 782 2HG ARG 107 2HG ARG 107 9.817 0.194 -19.492 783 1HD ARG 107 1HD ARG 107 12.662 0.027 -18.668 784 2HD ARG 107 2HD ARG 107 12.052 -1.481 -19.281 785 HE ARG 107 HE ARG 107 12.276 1.058 -20.764 786 1HH1 ARG 107 2HH2 ARG 107 10.976 -2.150 -20.764 787 2HH1 ARG 107 1HH2 ARG 107 10.788 -2.262 -22.441 788 1HH2 ARG 107 2HH1 ARG 107 12.054 0.914 -23.029 789 2HH2 ARG 107 1HH1 ARG 107 11.444 -0.561 -23.729 790 H VAL 108 H VAL 108 11.115 0.283 -14.486 791 HA VAL 108 HA VAL 108 10.071 2.568 -12.929 792 HB VAL 108 HB VAL 108 10.486 0.524 -11.768 793 1HG1 VAL 108 1HG1 VAL 108 12.051 -0.769 -12.815 794 2HG1 VAL 108 2HG1 VAL 108 13.167 0.573 -13.092 795 3HG1 VAL 108 3HG1 VAL 108 13.064 -0.085 -11.520 796 1HG2 VAL 108 1HG2 VAL 108 11.351 1.508 -9.931 797 2HG2 VAL 108 2HG2 VAL 108 12.831 2.053 -10.750 798 3HG2 VAL 108 3HG2 VAL 108 11.328 2.961 -10.950 799 H ILE 109 H ILE 109 10.871 4.529 -12.964 800 HA ILE 109 HA ILE 109 13.543 4.943 -14.269 801 HB ILE 109 HB ILE 109 11.201 6.833 -13.908 802 1HG1 ILE 109 1HG1 ILE 109 10.495 5.370 -15.559 803 2HG1 ILE 109 2HG1 ILE 109 11.312 6.667 -16.485 804 1HG2 ILE 109 1HG2 ILE 109 12.902 7.840 -15.834 805 2HG2 ILE 109 2HG2 ILE 109 12.686 8.430 -14.227 806 3HG2 ILE 109 3HG2 ILE 109 13.991 7.238 -14.678 807 1HD1 ILE 109 1HD1 ILE 109 13.345 5.149 -16.401 808 2HD1 ILE 109 2HD1 ILE 109 12.181 3.870 -15.947 809 3HD1 ILE 109 3HD1 ILE 109 11.965 4.649 -17.433 810 H TYR 110 H TYR 110 15.163 5.944 -13.322 811 HA TYR 110 HA TYR 110 14.820 7.378 -10.840 812 1HB TYR 110 1HB TYR 110 16.004 5.743 -9.469 813 2HB TYR 110 2HB TYR 110 14.626 4.934 -10.179 814 HD1 TYR 110 HD1 TYR 110 14.896 2.924 -11.409 815 HD2 TYR 110 HD2 TYR 110 18.307 5.440 -10.742 816 HE1 TYR 110 HE1 TYR 110 16.429 1.178 -12.325 817 HE2 TYR 110 HE2 TYR 110 19.800 3.759 -11.663 818 HH TYR 110 HH TYR 110 18.657 0.520 -12.403 819 H THR 111 H THR 111 16.798 8.312 -10.094 820 HA THR 111 HA THR 111 18.717 8.668 -12.308 821 HB THR 111 HB THR 111 19.360 10.666 -11.174 822 HG1 THR 111 HG1 THR 111 19.587 9.818 -9.084 823 1HG2 THR 111 1HG2 THR 111 17.230 11.795 -10.557 824 2HG2 THR 111 2HG2 THR 111 17.005 10.854 -11.997 825 3HG2 THR 111 3HG2 THR 111 16.390 10.266 -10.446 826 H TYR 112 H TYR 112 21.002 8.574 -11.962 827 HA TYR 112 HA TYR 112 21.664 6.501 -10.009 828 1HB TYR 112 1HB TYR 112 22.189 5.679 -12.000 829 2HB TYR 112 2HB TYR 112 22.635 7.241 -12.676 830 HD1 TYR 112 HD1 TYR 112 23.897 4.143 -11.745 831 HD2 TYR 112 HD2 TYR 112 24.868 8.298 -11.517 832 HE1 TYR 112 HE1 TYR 112 26.301 3.588 -11.328 833 HE2 TYR 112 HE2 TYR 112 27.190 7.808 -11.106 834 HH TYR 112 HH TYR 112 28.337 4.421 -10.913 835 HA PRO 113 HA PRO 113 23.602 5.580 -9.402 836 1HB PRO 113 1HB PRO 113 24.738 5.228 -6.951 837 2HB PRO 113 2HB PRO 113 25.632 5.364 -8.496 838 1HG PRO 113 1HG PRO 113 25.368 7.361 -6.306 839 2HG PRO 113 2HG PRO 113 26.619 7.238 -7.590 840 1HD PRO 113 1HD PRO 113 24.365 9.051 -7.510 841 2HD PRO 113 2HD PRO 113 25.513 8.820 -8.846 842 H ASN 114 H ASN 114 23.004 7.392 -6.417 843 HA ASN 114 HA ASN 114 21.288 5.694 -5.152 844 1HB ASN 114 1HB ASN 114 22.019 8.345 -4.760 845 2HB ASN 114 2HB ASN 114 20.378 8.586 -5.287 846 1HD2 ASN 114 1HD2 ASN 114 19.182 8.963 -3.590 847 2HD2 ASN 114 2HD2 ASN 114 19.194 7.972 -2.118 848 H LYS 115 H LYS 115 19.724 4.538 -6.155 849 HA LYS 115 HA LYS 115 18.289 5.332 -8.441 850 1HB LYS 115 1HB LYS 115 18.225 3.103 -6.492 851 2HB LYS 115 2HB LYS 115 16.654 3.380 -7.225 852 1HG LYS 115 1HG LYS 115 17.268 2.717 -9.237 853 2HG LYS 115 2HG LYS 115 18.919 3.406 -9.110 854 1HD LYS 115 1HD LYS 115 17.975 0.832 -7.858 855 2HD LYS 115 2HD LYS 115 18.853 0.964 -9.390 856 1HE LYS 115 1HE LYS 115 20.753 0.862 -8.145 857 2HE LYS 115 2HE LYS 115 20.421 2.555 -7.795 858 1HZ LYS 115 1HZ LYS 115 20.477 1.824 -5.692 859 2HZ LYS 115 2HZ LYS 115 18.938 1.305 -5.988 860 3HZ LYS 115 3HZ LYS 115 20.205 0.241 -6.113 861 H VAL 116 H VAL 116 17.669 7.419 -8.007 862 HA VAL 116 HA VAL 116 15.761 8.018 -5.895 863 HB VAL 116 HB VAL 116 16.646 9.662 -8.272 864 1HG1 VAL 116 1HG1 VAL 116 15.857 11.460 -6.318 865 2HG1 VAL 116 2HG1 VAL 116 14.966 10.989 -7.761 866 3HG1 VAL 116 3HG1 VAL 116 14.640 10.161 -6.221 867 1HG2 VAL 116 1HG2 VAL 116 18.145 8.910 -5.996 868 2HG2 VAL 116 2HG2 VAL 116 18.514 10.298 -7.009 869 3HG2 VAL 116 3HG2 VAL 116 17.590 10.480 -5.548 870 H PHE 117 H PHE 117 14.484 6.125 -6.735 871 HA PHE 117 HA PHE 117 13.013 5.814 -8.978 872 1HB PHE 117 1HB PHE 117 12.752 4.319 -7.115 873 2HB PHE 117 2HB PHE 117 12.219 5.641 -6.066 874 HD1 PHE 117 HD1 PHE 117 11.237 3.648 -8.999 875 HD2 PHE 117 HD2 PHE 117 9.947 6.268 -5.862 876 HE1 PHE 117 HE1 PHE 117 8.854 3.169 -9.610 877 HE2 PHE 117 HE2 PHE 117 7.594 5.800 -6.407 878 HZ PHE 117 HZ PHE 117 7.081 4.294 -8.352 879 H CYS 118 H CYS 118 12.301 7.461 -10.217 880 HA CYS 118 HA CYS 118 10.954 9.741 -8.974 881 1HB CYS 118 1HB CYS 118 12.356 9.243 -11.449 882 2HB CYS 118 2HB CYS 118 10.710 9.702 -11.826 883 H GLY 119 H GLY 119 10.182 6.687 -10.474 884 1HA GLY 119 1HA GLY 119 7.768 6.168 -9.657 885 2HA GLY 119 2HA GLY 119 7.350 7.390 -10.842 886 H ILE 120 H ILE 120 6.301 6.037 -12.258 887 HA ILE 120 HA ILE 120 8.039 4.020 -13.633 888 HB ILE 120 HB ILE 120 5.076 3.676 -13.179 889 1HG1 ILE 120 1HG1 ILE 120 6.690 3.628 -10.955 890 2HG1 ILE 120 2HG1 ILE 120 5.286 2.730 -11.252 891 1HG2 ILE 120 1HG2 ILE 120 7.263 1.700 -13.941 892 2HG2 ILE 120 2HG2 ILE 120 5.514 1.370 -13.838 893 3HG2 ILE 120 3HG2 ILE 120 6.201 2.415 -15.094 894 1HD1 ILE 120 1HD1 ILE 120 8.036 1.767 -11.809 895 2HD1 ILE 120 2HD1 ILE 120 7.035 1.462 -10.342 896 3HD1 ILE 120 3HD1 ILE 120 6.519 0.786 -11.878 897 H ILE 121 H ILE 121 7.784 3.906 -15.826 898 HA ILE 121 HA ILE 121 5.982 5.953 -17.014 899 HB ILE 121 HB ILE 121 7.629 6.820 -18.416 900 1HG1 ILE 121 1HG1 ILE 121 9.596 4.674 -17.469 901 2HG1 ILE 121 2HG1 ILE 121 8.722 4.631 -19.007 902 1HG2 ILE 121 1HG2 ILE 121 8.748 6.521 -15.583 903 2HG2 ILE 121 2HG2 ILE 121 9.444 7.588 -16.774 904 3HG2 ILE 121 3HG2 ILE 121 7.794 7.834 -16.240 905 1HD1 ILE 121 1HD1 ILE 121 10.258 5.803 -19.945 906 2HD1 ILE 121 2HD1 ILE 121 9.817 7.174 -18.937 907 3HD1 ILE 121 3HD1 ILE 121 11.101 6.070 -18.492 908 H ALA 122 H ALA 122 5.403 5.521 -19.174 909 HA ALA 122 HA ALA 122 6.208 3.217 -20.668 910 1HB ALA 122 1HB ALA 122 4.715 2.359 -18.503 911 2HB ALA 122 2HB ALA 122 3.478 2.609 -19.712 912 3HB ALA 122 3HB ALA 122 4.837 1.505 -20.026 913 H HIS 123 H HIS 123 5.496 3.491 -22.684 914 HA HIS 123 HA HIS 123 3.569 5.681 -23.222 915 1HB HIS 123 1HB HIS 123 4.241 5.305 -25.547 916 2HB HIS 123 2HB HIS 123 5.497 5.819 -24.443 917 HD1 HIS 123 HD1 HIS 123 7.157 4.972 -26.393 918 HD2 HIS 123 HD2 HIS 123 4.991 2.061 -24.243 919 HE1 HIS 123 HE1 HIS 123 8.345 2.690 -26.805 920 HE2 HIS 123 HE2 HIS 123 6.942 0.925 -25.465 921 H THR 124 H THR 124 1.609 4.801 -22.684 922 HA THR 124 HA THR 124 0.712 2.378 -24.171 923 HB THR 124 HB THR 124 -1.241 2.760 -22.444 924 HG1 THR 124 HG1 THR 124 -0.806 4.686 -21.575 925 1HG2 THR 124 1HG2 THR 124 1.110 1.240 -22.362 926 2HG2 THR 124 2HG2 THR 124 1.170 2.200 -20.885 927 3HG2 THR 124 3HG2 THR 124 -0.258 1.182 -21.276 928 H LYS 125 H LYS 125 1.141 4.458 -25.778 929 HA LYS 125 HA LYS 125 -1.575 5.623 -26.271 930 1HB LYS 125 1HB LYS 125 0.419 7.165 -26.052 931 2HB LYS 125 2HB LYS 125 1.058 6.475 -27.557 932 1HG LYS 125 1HG LYS 125 -0.490 7.534 -28.862 933 2HG LYS 125 2HG LYS 125 -1.817 7.317 -27.709 934 1HD LYS 125 1HD LYS 125 -1.187 9.183 -26.395 935 2HD LYS 125 2HD LYS 125 0.426 9.266 -27.144 936 1HE LYS 125 1HE LYS 125 -0.914 9.649 -29.377 937 2HE LYS 125 2HE LYS 125 -2.262 10.067 -28.310 938 1HZ LYS 125 1HZ LYS 125 -1.304 12.083 -28.142 939 2HZ LYS 125 2HZ LYS 125 -0.032 11.403 -27.342 940 3HZ LYS 125 3HZ LYS 125 0.030 11.600 -28.972 941 H GLU 126 H GLU 126 0.990 3.606 -27.757 942 HA GLU 126 HA GLU 126 -0.584 1.916 -29.069 943 1HB GLU 126 1HB GLU 126 -0.623 4.528 -30.445 944 2HB GLU 126 2HB GLU 126 0.077 3.355 -31.450 945 1HG GLU 126 1HG GLU 126 -1.774 1.803 -31.212 946 2HG GLU 126 2HG GLU 126 -2.553 2.834 -30.013 947 H ASN 127 H ASN 127 1.812 3.725 -30.870 948 HA ASN 127 HA ASN 127 4.068 2.094 -30.071 949 1HB ASN 127 1HB ASN 127 2.418 1.497 -32.517 950 2HB ASN 127 2HB ASN 127 4.119 1.634 -32.830 951 1HD2 ASN 127 1HD2 ASN 127 4.378 -0.433 -33.382 952 2HD2 ASN 127 2HD2 ASN 127 4.387 -1.696 -32.103 953 H GLN 128 H GLN 128 3.399 4.935 -30.030 954 HA GLN 128 HA GLN 128 5.757 5.945 -31.139 955 1HB GLN 128 1HB GLN 128 3.438 5.926 -32.984 956 2HB GLN 128 2HB GLN 128 3.971 7.572 -32.664 957 1HG GLN 128 1HG GLN 128 6.409 6.306 -33.050 958 2HG GLN 128 2HG GLN 128 5.363 5.406 -34.144 959 1HE2 GLN 128 1HE2 GLN 128 7.234 8.136 -33.699 960 2HE2 GLN 128 2HE2 GLN 128 6.627 9.078 -35.079 961 H GLY 129 H GLY 129 5.963 6.762 -29.087 962 1HA GLY 129 1HA GLY 129 5.286 9.402 -28.593 963 2HA GLY 129 2HA GLY 129 3.934 8.429 -27.873 964 H GLU 130 H GLU 130 7.144 9.544 -27.387 965 HA GLU 130 HA GLU 130 8.486 7.828 -25.838 966 1HB GLU 130 1HB GLU 130 9.570 9.636 -25.050 967 2HB GLU 130 2HB GLU 130 8.580 10.528 -26.198 968 1HG GLU 130 1HG GLU 130 6.854 10.658 -24.185 969 2HG GLU 130 2HG GLU 130 8.298 10.251 -23.199 970 H LEU 131 H LEU 131 8.619 7.232 -23.624 971 HA LEU 131 HA LEU 131 6.142 6.339 -22.575 972 1HB LEU 131 1HB LEU 131 8.485 6.631 -20.821 973 2HB LEU 131 2HB LEU 131 7.379 5.292 -20.978 974 HG LEU 131 HG LEU 131 9.217 4.265 -21.832 975 1HD1 LEU 131 1HD1 LEU 131 8.633 3.711 -23.914 976 2HD1 LEU 131 2HD1 LEU 131 7.399 4.902 -23.703 977 3HD1 LEU 131 3HD1 LEU 131 8.845 5.386 -24.544 978 1HD2 LEU 131 1HD2 LEU 131 10.124 7.018 -22.330 979 2HD2 LEU 131 2HD2 LEU 131 11.036 5.529 -21.935 980 3HD2 LEU 131 3HD2 LEU 131 10.678 5.915 -23.592 981 H LYS 132 H LYS 132 5.032 6.889 -20.679 982 HA LYS 132 HA LYS 132 5.446 9.730 -19.812 983 1HB LYS 132 1HB LYS 132 2.890 9.658 -19.668 984 2HB LYS 132 2HB LYS 132 3.727 10.147 -21.131 985 1HG LYS 132 1HG LYS 132 3.316 8.077 -22.246 986 2HG LYS 132 2HG LYS 132 2.863 7.287 -20.721 987 1HD LYS 132 1HD LYS 132 1.233 9.578 -21.732 988 2HD LYS 132 2HD LYS 132 1.009 7.932 -22.387 989 1HE LYS 132 1HE LYS 132 0.748 7.076 -20.024 990 2HE LYS 132 2HE LYS 132 0.811 8.739 -19.433 991 1HZ LYS 132 1HZ LYS 132 -1.179 9.249 -20.568 992 2HZ LYS 132 2HZ LYS 132 -1.148 7.872 -21.470 993 3HZ LYS 132 3HZ LYS 132 -1.477 7.798 -19.851 994 H LEU 133 H LEU 133 4.766 10.166 -17.750 995 HA LEU 133 HA LEU 133 5.436 8.207 -15.841 996 1HB LEU 133 1HB LEU 133 5.270 10.787 -15.549 997 2HB LEU 133 2HB LEU 133 3.571 10.564 -15.334 998 HG LEU 133 HG LEU 133 4.256 8.929 -13.402 999 1HD1 LEU 133 1HD1 LEU 133 6.513 9.541 -12.424 1000 2HD1 LEU 133 2HD1 LEU 133 6.582 8.548 -13.886 1001 3HD1 LEU 133 3HD1 LEU 133 6.872 10.273 -14.025 1002 1HD2 LEU 133 1HD2 LEU 133 3.982 10.639 -11.935 1003 2HD2 LEU 133 2HD2 LEU 133 5.211 11.687 -12.687 1004 3HD2 LEU 133 3HD2 LEU 133 3.593 11.562 -13.379 1005 H CYS 134 H CYS 134 4.336 6.592 -14.890 1006 HA CYS 134 HA CYS 134 1.780 5.749 -15.916 1007 1HB CYS 134 1HB CYS 134 3.383 4.777 -13.525 1008 2HB CYS 134 2HB CYS 134 2.029 3.946 -14.246 1009 H SER 135 H SER 135 0.318 4.926 -13.845 1010 HA SER 135 HA SER 135 -0.018 7.079 -11.851 1011 1HB SER 135 1HB SER 135 -2.050 6.537 -14.126 1012 2HB SER 135 2HB SER 135 -2.426 7.407 -12.624 1013 HG SER 135 HG SER 135 -0.275 8.544 -13.505 1014 H HIS 136 H HIS 136 -0.412 5.832 -10.168 1015 HA HIS 136 HA HIS 136 -0.948 3.222 -9.925 1016 1HB HIS 136 1HB HIS 136 -2.152 5.117 -7.945 1017 2HB HIS 136 2HB HIS 136 -1.375 3.593 -7.665 1018 HD1 HIS 136 HD1 HIS 136 -0.870 7.228 -7.664 1019 HD2 HIS 136 HD2 HIS 136 1.504 3.770 -7.980 1020 HE1 HIS 136 HE1 HIS 136 1.583 7.973 -7.128 1021 HE2 HIS 136 HE2 HIS 136 3.018 5.823 -7.288 Start of MODEL 21 1 1H ALA 1 H1 ALA 1 0.473 -0.237 -0.193 2 2H ALA 1 H2 ALA 1 1.293 1.008 0.497 3 3H ALA 1 H3 ALA 1 1.788 -0.495 0.801 4 HA ALA 1 HA ALA 1 2.591 1.088 -1.415 5 1HB ALA 1 1HB ALA 1 3.299 -1.753 -1.824 6 2HB ALA 1 2HB ALA 1 4.300 -0.382 -1.333 7 3HB ALA 1 3HB ALA 1 3.464 -1.364 -0.115 8 H VAL 2 H VAL 2 2.735 -0.272 -3.733 9 HA VAL 2 HA VAL 2 0.339 -0.060 -5.127 10 HB VAL 2 HB VAL 2 2.572 -0.384 -6.098 11 1HG1 VAL 2 1HG1 VAL 2 3.062 -2.847 -6.489 12 2HG1 VAL 2 2HG1 VAL 2 3.805 -2.037 -5.121 13 3HG1 VAL 2 3HG1 VAL 2 2.431 -3.141 -4.849 14 1HG2 VAL 2 1HG2 VAL 2 0.353 -2.211 -7.127 15 2HG2 VAL 2 2HG2 VAL 2 0.678 -0.541 -7.563 16 3HG2 VAL 2 3HG2 VAL 2 1.811 -1.803 -8.015 17 H THR 3 H THR 3 -1.358 -1.202 -5.624 18 HA THR 3 HA THR 3 -2.148 -3.216 -3.664 19 HB THR 3 HB THR 3 -3.913 -2.014 -5.773 20 HG1 THR 3 HG1 THR 3 -4.415 -0.517 -4.278 21 1HG2 THR 3 1HG2 THR 3 -4.412 -2.867 -2.855 22 2HG2 THR 3 2HG2 THR 3 -5.592 -2.462 -4.083 23 3HG2 THR 3 3HG2 THR 3 -4.623 -3.975 -4.226 24 H TRP 4 H TRP 4 -1.856 -5.431 -4.076 25 HA TRP 4 HA TRP 4 -1.129 -6.273 -6.798 26 1HB TRP 4 1HB TRP 4 -1.328 -7.716 -4.094 27 2HB TRP 4 2HB TRP 4 -0.839 -8.400 -5.633 28 HD1 TRP 4 HD1 TRP 4 0.262 -5.210 -3.784 29 HE1 TRP 4 HE1 TRP 4 2.801 -5.183 -3.887 30 HE3 TRP 4 HE3 TRP 4 1.205 -9.592 -6.190 31 HZ2 TRP 4 HZ2 TRP 4 5.010 -6.890 -4.630 32 HZ3 TRP 4 HZ3 TRP 4 3.512 -10.387 -6.640 33 HH2 TRP 4 HH2 TRP 4 5.473 -9.021 -5.846 34 H THR 5 H THR 5 -2.393 -7.483 -8.069 35 HA THR 5 HA THR 5 -5.040 -8.343 -6.993 36 HB THR 5 HB THR 5 -4.573 -6.302 -9.141 37 HG1 THR 5 HG1 THR 5 -5.243 -5.512 -7.416 38 1HG2 THR 5 1HG2 THR 5 -5.905 -7.943 -10.449 39 2HG2 THR 5 2HG2 THR 5 -7.135 -7.971 -9.138 40 3HG2 THR 5 3HG2 THR 5 -6.811 -6.491 -10.066 41 H CYS 6 H CYS 6 -5.993 -9.837 -8.234 42 HA CYS 6 HA CYS 6 -4.362 -11.241 -10.425 43 1HB CYS 6 1HB CYS 6 -5.180 -12.327 -7.817 44 2HB CYS 6 2HB CYS 6 -5.603 -13.336 -9.186 45 H GLY 7 H GLY 7 -7.438 -12.289 -9.099 46 1HA GLY 7 1HA GLY 7 -8.638 -12.072 -11.887 47 2HA GLY 7 2HA GLY 7 -9.165 -13.184 -10.592 48 H GLY 8 H GLY 8 -8.621 -9.686 -10.949 49 1HA GLY 8 1HA GLY 8 -10.139 -7.814 -10.443 50 2HA GLY 8 2HA GLY 8 -11.431 -9.013 -10.179 51 H LEU 9 H LEU 9 -9.122 -10.029 -8.276 52 HA LEU 9 HA LEU 9 -10.507 -9.004 -5.802 53 1HB LEU 9 1HB LEU 9 -8.160 -10.891 -6.239 54 2HB LEU 9 2HB LEU 9 -9.163 -10.759 -4.759 55 HG LEU 9 HG LEU 9 -9.996 -11.889 -7.488 56 1HD1 LEU 9 1HD1 LEU 9 -9.174 -13.914 -5.543 57 2HD1 LEU 9 2HD1 LEU 9 -9.361 -13.921 -7.304 58 3HD1 LEU 9 3HD1 LEU 9 -7.956 -13.125 -6.602 59 1HD2 LEU 9 1HD2 LEU 9 -11.940 -11.649 -6.358 60 2HD2 LEU 9 2HD2 LEU 9 -11.517 -13.262 -5.754 61 3HD2 LEU 9 3HD2 LEU 9 -11.248 -11.829 -4.735 62 H LEU 10 H LEU 10 -9.292 -7.764 -4.369 63 HA LEU 10 HA LEU 10 -6.699 -6.539 -5.329 64 1HB LEU 10 1HB LEU 10 -9.079 -5.545 -3.717 65 2HB LEU 10 2HB LEU 10 -7.561 -4.742 -3.480 66 HG LEU 10 HG LEU 10 -8.984 -3.574 -5.046 67 1HD1 LEU 10 1HD1 LEU 10 -6.250 -4.439 -5.705 68 2HD1 LEU 10 2HD1 LEU 10 -7.134 -3.915 -7.131 69 3HD1 LEU 10 3HD1 LEU 10 -7.010 -2.813 -5.805 70 1HD2 LEU 10 1HD2 LEU 10 -8.616 -5.727 -7.158 71 2HD2 LEU 10 2HD2 LEU 10 -10.022 -5.744 -6.082 72 3HD2 LEU 10 3HD2 LEU 10 -9.732 -4.347 -7.115 73 H TYR 11 H TYR 11 -5.029 -6.417 -3.994 74 HA TYR 11 HA TYR 11 -4.968 -7.521 -1.161 75 1HB TYR 11 1HB TYR 11 -3.204 -8.411 -3.482 76 2HB TYR 11 2HB TYR 11 -3.242 -8.954 -1.797 77 HD1 TYR 11 HD1 TYR 11 -4.255 -9.666 -5.134 78 HD2 TYR 11 HD2 TYR 11 -5.690 -9.677 -1.100 79 HE1 TYR 11 HE1 TYR 11 -5.911 -11.305 -5.755 80 HE2 TYR 11 HE2 TYR 11 -7.363 -11.335 -1.601 81 HH TYR 11 HH TYR 11 -8.338 -12.484 -3.144 82 H ASN 12 H ASN 12 -4.741 -5.212 -0.775 83 HA ASN 12 HA ASN 12 -2.512 -3.537 -1.817 84 1HB ASN 12 1HB ASN 12 -4.464 -3.184 0.084 85 2HB ASN 12 2HB ASN 12 -2.986 -3.263 1.100 86 1HD2 ASN 12 1HD2 ASN 12 -1.174 -2.046 -0.224 87 2HD2 ASN 12 2HD2 ASN 12 -1.900 -0.593 -0.852 88 H GLN 13 H GLN 13 -0.376 -4.026 -1.888 89 HA GLN 13 HA GLN 13 0.975 -6.078 -0.671 90 1HB GLN 13 1HB GLN 13 2.095 -4.358 -2.071 91 2HB GLN 13 2HB GLN 13 1.945 -3.259 -0.714 92 1HG GLN 13 1HG GLN 13 4.064 -3.889 0.038 93 2HG GLN 13 2HG GLN 13 3.417 -5.489 0.442 94 1HE2 GLN 13 1HE2 GLN 13 2.788 -6.715 -1.769 95 2HE2 GLN 13 2HE2 GLN 13 4.428 -6.980 -2.447 96 H ASN 14 H ASN 14 0.759 -2.979 1.008 97 HA ASN 14 HA ASN 14 1.777 -3.771 3.588 98 1HB ASN 14 1HB ASN 14 0.511 -1.481 2.616 99 2HB ASN 14 2HB ASN 14 -0.698 -2.151 3.720 100 1HD2 ASN 14 1HD2 ASN 14 0.993 0.266 3.990 101 2HD2 ASN 14 2HD2 ASN 14 1.780 -0.197 5.557 102 H LYS 15 H LYS 15 -1.514 -4.253 2.467 103 HA LYS 15 HA LYS 15 -2.390 -5.787 4.925 104 1HB LYS 15 1HB LYS 15 -3.626 -4.800 2.471 105 2HB LYS 15 2HB LYS 15 -3.937 -6.500 2.620 106 1HG LYS 15 1HG LYS 15 -5.184 -6.335 4.491 107 2HG LYS 15 2HG LYS 15 -4.335 -4.921 5.164 108 1HD LYS 15 1HD LYS 15 -6.164 -4.794 2.768 109 2HD LYS 15 2HD LYS 15 -6.568 -4.263 4.434 110 1HE LYS 15 1HE LYS 15 -5.553 -2.406 4.448 111 2HE LYS 15 2HE LYS 15 -4.107 -3.037 3.667 112 1HZ LYS 15 1HZ LYS 15 -6.502 -1.789 2.443 113 2HZ LYS 15 2HZ LYS 15 -4.946 -1.697 1.920 114 3HZ LYS 15 3HZ LYS 15 -5.888 -3.034 1.648 115 H ALA 16 H ALA 16 -1.018 -6.815 1.808 116 HA ALA 16 HA ALA 16 -1.222 -9.669 2.282 117 1HB ALA 16 1HB ALA 16 0.745 -8.170 0.601 118 2HB ALA 16 2HB ALA 16 0.243 -9.869 0.582 119 3HB ALA 16 3HB ALA 16 -0.911 -8.549 0.110 120 H GLU 17 H GLU 17 1.627 -7.644 2.488 121 HA GLU 17 HA GLU 17 3.320 -9.514 4.077 122 1HB GLU 17 1HB GLU 17 4.626 -7.538 4.752 123 2HB GLU 17 2HB GLU 17 4.574 -7.866 2.986 124 1HG GLU 17 1HG GLU 17 3.403 -6.125 2.493 125 2HG GLU 17 2HG GLU 17 2.587 -5.977 4.094 126 H SER 18 H SER 18 0.935 -7.033 4.996 127 HA SER 18 HA SER 18 1.361 -7.107 7.891 128 1HB SER 18 1HB SER 18 0.260 -5.239 6.999 129 2HB SER 18 2HB SER 18 -1.066 -6.320 6.402 130 HG SER 18 HG SER 18 -1.407 -4.980 8.133 131 H ASN 19 H ASN 19 -1.181 -8.696 5.791 132 HA ASN 19 HA ASN 19 -2.389 -10.342 7.824 133 1HB ASN 19 1HB ASN 19 -3.108 -9.891 5.333 134 2HB ASN 19 2HB ASN 19 -2.012 -11.257 5.002 135 1HD2 ASN 19 1HD2 ASN 19 -4.471 -10.389 7.622 136 2HD2 ASN 19 2HD2 ASN 19 -5.168 -12.004 7.343 137 H SER 20 H SER 20 0.446 -10.876 6.029 138 HA SER 20 HA SER 20 1.098 -13.460 7.330 139 1HB SER 20 1HB SER 20 2.864 -13.586 6.002 140 2HB SER 20 2HB SER 20 1.861 -12.448 5.012 141 HG SER 20 HG SER 20 3.102 -10.787 5.895 142 H HIS 21 H HIS 21 1.961 -10.191 7.965 143 HA HIS 21 HA HIS 21 4.171 -10.548 9.923 144 1HB HIS 21 1HB HIS 21 2.221 -8.213 9.438 145 2HB HIS 21 2HB HIS 21 3.166 -8.263 10.841 146 HD1 HIS 21 HD1 HIS 21 4.250 -5.965 9.814 147 HD2 HIS 21 HD2 HIS 21 4.832 -9.539 7.695 148 HE1 HIS 21 HE1 HIS 21 6.214 -5.503 8.165 149 HE2 HIS 21 HE2 HIS 21 6.513 -7.605 6.807 150 H HIS 22 H HIS 22 0.535 -10.529 10.346 151 HA HIS 22 HA HIS 22 0.829 -10.967 13.190 152 1HB HIS 22 1HB HIS 22 -1.772 -11.625 11.982 153 2HB HIS 22 2HB HIS 22 -1.347 -10.466 13.257 154 HD1 HIS 22 HD1 HIS 22 -3.233 -10.487 10.477 155 HD2 HIS 22 HD2 HIS 22 0.038 -8.252 11.783 156 HE1 HIS 22 HE1 HIS 22 -3.213 -8.284 9.060 157 HE2 HIS 22 HE2 HIS 22 -1.259 -6.966 9.850 158 H ALA 23 H ALA 23 -0.197 -12.854 10.315 159 HA ALA 23 HA ALA 23 -0.853 -15.170 11.341 160 1HB ALA 23 1HB ALA 23 1.099 -15.270 9.060 161 2HB ALA 23 2HB ALA 23 -0.474 -16.073 9.375 162 3HB ALA 23 3HB ALA 23 -0.427 -14.389 8.866 163 HA PRO 24 HA PRO 24 2.828 -16.355 13.651 164 1HB PRO 24 1HB PRO 24 2.170 -19.058 14.171 165 2HB PRO 24 2HB PRO 24 1.635 -17.584 15.113 166 1HG PRO 24 1HG PRO 24 0.308 -19.269 13.123 167 2HG PRO 24 2HG PRO 24 -0.470 -18.289 14.475 168 1HD PRO 24 1HD PRO 24 -0.423 -17.742 11.748 169 2HD PRO 24 2HD PRO 24 -0.827 -16.574 13.068 170 H LEU 25 H LEU 25 4.655 -16.895 12.688 171 HA LEU 25 HA LEU 25 4.982 -18.169 10.190 172 1HB LEU 25 1HB LEU 25 6.551 -16.535 11.830 173 2HB LEU 25 2HB LEU 25 7.383 -18.044 11.979 174 HG LEU 25 HG LEU 25 7.938 -18.168 9.672 175 1HD1 LEU 25 1HD1 LEU 25 7.129 -16.400 8.122 176 2HD1 LEU 25 2HD1 LEU 25 6.034 -17.659 8.544 177 3HD1 LEU 25 3HD1 LEU 25 5.792 -16.132 9.373 178 1HD2 LEU 25 1HD2 LEU 25 8.655 -15.505 9.579 179 2HD2 LEU 25 2HD2 LEU 25 8.445 -15.672 11.302 180 3HD2 LEU 25 3HD2 LEU 25 9.511 -16.793 10.428 181 H SER 26 H SER 26 4.076 -20.044 10.138 182 HA SER 26 HA SER 26 5.560 -22.452 10.677 183 1HB SER 26 1HB SER 26 3.846 -21.441 12.861 184 2HB SER 26 2HB SER 26 3.271 -22.989 12.212 185 HG SER 26 HG SER 26 5.697 -23.397 12.357 186 H ASP 27 H ASP 27 4.119 -24.300 10.287 187 HA ASP 27 HA ASP 27 2.009 -23.857 8.225 188 1HB ASP 27 1HB ASP 27 3.586 -24.901 7.075 189 2HB ASP 27 2HB ASP 27 4.293 -25.781 8.360 190 H GLY 28 H GLY 28 0.134 -24.146 8.990 191 1HA GLY 28 1HA GLY 28 -1.685 -25.385 10.085 192 2HA GLY 28 2HA GLY 28 -0.644 -26.796 9.882 193 H LYS 29 H LYS 29 -0.369 -23.876 11.615 194 HA LYS 29 HA LYS 29 -0.186 -25.271 14.344 195 1HB LYS 29 1HB LYS 29 1.946 -24.593 13.843 196 2HB LYS 29 2HB LYS 29 1.424 -22.977 13.310 197 1HG LYS 29 1HG LYS 29 1.085 -22.166 15.423 198 2HG LYS 29 2HG LYS 29 1.002 -23.795 16.163 199 1HD LYS 29 1HD LYS 29 3.593 -23.172 14.971 200 2HD LYS 29 2HD LYS 29 3.120 -22.044 16.276 201 1HE LYS 29 1HE LYS 29 3.014 -23.698 17.888 202 2HE LYS 29 2HE LYS 29 2.496 -24.921 16.739 203 1HZ LYS 29 1HZ LYS 29 5.293 -24.058 17.149 204 2HZ LYS 29 2HZ LYS 29 4.675 -25.602 17.153 205 3HZ LYS 29 3HZ LYS 29 4.804 -24.763 15.768 206 H THR 30 H THR 30 -2.282 -23.549 12.639 207 HA THR 30 HA THR 30 -3.277 -21.888 14.982 208 HB THR 30 HB THR 30 -3.988 -20.385 13.461 209 HG1 THR 30 HG1 THR 30 -3.550 -20.708 11.210 210 1HG2 THR 30 1HG2 THR 30 -1.470 -20.940 11.925 211 2HG2 THR 30 2HG2 THR 30 -2.185 -19.472 12.662 212 3HG2 THR 30 3HG2 THR 30 -1.364 -20.681 13.680 213 H GLY 31 H GLY 31 -5.516 -21.868 15.155 214 1HA GLY 31 1HA GLY 31 -6.942 -24.237 15.284 215 2HA GLY 31 2HA GLY 31 -7.730 -22.663 14.998 216 H SER 32 H SER 32 -7.239 -21.960 12.690 217 HA SER 32 HA SER 32 -8.757 -23.793 10.861 218 1HB SER 32 1HB SER 32 -8.904 -21.464 10.345 219 2HB SER 32 2HB SER 32 -7.107 -21.383 10.153 220 HG SER 32 HG SER 32 -7.156 -22.680 8.553 221 H SER 33 H SER 33 -5.397 -22.747 10.662 222 HA SER 33 HA SER 33 -3.800 -24.756 10.306 223 1HB SER 33 1HB SER 33 -5.541 -24.788 7.866 224 2HB SER 33 2HB SER 33 -3.808 -25.033 7.569 225 HG SER 33 HG SER 33 -5.392 -26.378 9.446 226 H TYR 34 H TYR 34 -4.893 -22.256 8.127 227 HA TYR 34 HA TYR 34 -2.485 -21.620 6.962 228 1HB TYR 34 1HB TYR 34 -4.763 -19.759 7.523 229 2HB TYR 34 2HB TYR 34 -3.420 -19.373 6.483 230 HD1 TYR 34 HD1 TYR 34 -6.352 -21.650 6.718 231 HD2 TYR 34 HD2 TYR 34 -2.992 -20.329 4.280 232 HE1 TYR 34 HE1 TYR 34 -7.156 -22.997 4.898 233 HE2 TYR 34 HE2 TYR 34 -4.113 -21.147 2.391 234 HH TYR 34 HH TYR 34 -6.460 -23.729 2.582 235 HA PRO 35 HA PRO 35 -1.033 -19.873 6.306 236 1HB PRO 35 1HB PRO 35 1.667 -19.494 6.705 237 2HB PRO 35 2HB PRO 35 0.474 -18.212 6.434 238 1HG PRO 35 1HG PRO 35 1.845 -18.985 8.914 239 2HG PRO 35 2HG PRO 35 1.014 -17.461 8.434 240 1HD PRO 35 1HD PRO 35 0.043 -19.582 10.158 241 2HD PRO 35 2HD PRO 35 -0.888 -18.153 9.618 242 H HIS 36 H HIS 36 0.027 -21.368 5.303 243 HA HIS 36 HA HIS 36 0.874 -23.906 6.763 244 1HB HIS 36 1HB HIS 36 -0.252 -25.369 5.239 245 2HB HIS 36 2HB HIS 36 -1.289 -24.465 6.391 246 HD1 HIS 36 HD1 HIS 36 -3.072 -25.446 4.501 247 HD2 HIS 36 HD2 HIS 36 -0.388 -22.367 3.531 248 HE1 HIS 36 HE1 HIS 36 -3.895 -24.341 2.176 249 HE2 HIS 36 HE2 HIS 36 -2.079 -22.584 1.647 250 H TRP 37 H TRP 37 2.227 -25.259 5.547 251 HA TRP 37 HA TRP 37 4.148 -23.747 4.007 252 1HB TRP 37 1HB TRP 37 4.890 -25.879 5.019 253 2HB TRP 37 2HB TRP 37 3.556 -26.696 4.236 254 HD1 TRP 37 HD1 TRP 37 6.233 -24.538 2.319 255 HE1 TRP 37 HE1 TRP 37 7.242 -26.058 0.602 256 HE3 TRP 37 HE3 TRP 37 3.604 -28.751 3.264 257 HZ2 TRP 37 HZ2 TRP 37 6.993 -28.782 -0.327 258 HZ3 TRP 37 HZ3 TRP 37 3.944 -30.872 1.877 259 HH2 TRP 37 HH2 TRP 37 5.591 -30.751 0.008 260 H PHE 38 H PHE 38 4.514 -23.419 2.066 261 HA PHE 38 HA PHE 38 2.427 -23.751 -0.031 262 1HB PHE 38 1HB PHE 38 3.189 -21.293 0.710 263 2HB PHE 38 2HB PHE 38 4.695 -21.796 0.097 264 HD1 PHE 38 HD1 PHE 38 1.260 -22.628 -1.341 265 HD2 PHE 38 HD2 PHE 38 5.129 -20.693 -1.896 266 HE1 PHE 38 HE1 PHE 38 0.616 -22.070 -3.548 267 HE2 PHE 38 HE2 PHE 38 4.356 -20.034 -4.178 268 HZ PHE 38 HZ PHE 38 2.258 -20.744 -5.002 269 H THR 39 H THR 39 3.035 -25.725 -0.290 270 HA THR 39 HA THR 39 5.362 -27.003 -1.291 271 HB THR 39 HB THR 39 3.931 -28.105 -2.941 272 HG1 THR 39 HG1 THR 39 1.775 -27.837 -2.770 273 1HG2 THR 39 1HG2 THR 39 2.132 -28.813 -0.898 274 2HG2 THR 39 2HG2 THR 39 3.764 -29.435 -1.207 275 3HG2 THR 39 3HG2 THR 39 3.498 -28.118 -0.051 276 H ASN 40 H ASN 40 3.428 -24.495 -2.876 277 HA ASN 40 HA ASN 40 4.034 -23.222 -4.934 278 1HB ASN 40 1HB ASN 40 5.746 -22.475 -3.240 279 2HB ASN 40 2HB ASN 40 6.852 -23.703 -3.778 280 1HD2 ASN 40 1HD2 ASN 40 8.523 -22.245 -4.823 281 2HD2 ASN 40 2HD2 ASN 40 7.912 -21.359 -6.202 282 H GLY 41 H GLY 41 3.987 -26.197 -4.947 283 1HA GLY 41 1HA GLY 41 3.823 -27.527 -7.072 284 2HA GLY 41 2HA GLY 41 5.249 -26.608 -7.621 285 H TYR 42 H TYR 42 6.742 -26.963 -5.006 286 HA TYR 42 HA TYR 42 8.289 -29.334 -5.245 287 1HB TYR 42 1HB TYR 42 7.681 -27.819 -2.645 288 2HB TYR 42 2HB TYR 42 8.978 -28.931 -2.934 289 HD1 TYR 42 HD1 TYR 42 10.456 -28.602 -4.728 290 HD2 TYR 42 HD2 TYR 42 8.253 -25.313 -3.088 291 HE1 TYR 42 HE1 TYR 42 12.244 -26.911 -5.572 292 HE2 TYR 42 HE2 TYR 42 9.869 -23.747 -4.006 293 HH TYR 42 HH TYR 42 12.845 -24.504 -5.568 294 H ASP 43 H ASP 43 8.321 -31.179 -4.150 295 HA ASP 43 HA ASP 43 5.623 -32.344 -3.364 296 1HB ASP 43 1HB ASP 43 8.136 -33.384 -4.448 297 2HB ASP 43 2HB ASP 43 7.778 -34.179 -2.935 298 H GLY 44 H GLY 44 8.567 -31.590 -1.890 299 1HA GLY 44 1HA GLY 44 7.494 -31.480 0.859 300 2HA GLY 44 2HA GLY 44 8.510 -32.904 0.590 301 H ASP 45 H ASP 45 10.670 -32.461 -0.026 302 HA ASP 45 HA ASP 45 11.946 -29.921 1.040 303 1HB ASP 45 1HB ASP 45 12.587 -32.897 1.170 304 2HB ASP 45 2HB ASP 45 13.921 -31.811 0.772 305 H GLY 46 H GLY 46 12.872 -32.372 -1.148 306 1HA GLY 46 1HA GLY 46 14.647 -30.799 -2.765 307 2HA GLY 46 2HA GLY 46 13.892 -32.338 -3.300 308 H LYS 47 H LYS 47 14.124 -31.050 -5.276 309 HA LYS 47 HA LYS 47 12.214 -28.959 -5.924 310 1HB LYS 47 1HB LYS 47 12.704 -29.250 -8.195 311 2HB LYS 47 2HB LYS 47 14.164 -29.485 -7.233 312 1HG LYS 47 1HG LYS 47 13.009 -32.101 -7.365 313 2HG LYS 47 2HG LYS 47 12.519 -31.386 -8.869 314 1HD LYS 47 1HD LYS 47 14.471 -32.040 -9.685 315 2HD LYS 47 2HD LYS 47 15.230 -30.712 -8.812 316 1HE LYS 47 1HE LYS 47 16.364 -32.163 -7.500 317 2HE LYS 47 2HE LYS 47 14.826 -32.722 -6.855 318 1HZ LYS 47 1HZ LYS 47 16.393 -33.931 -9.036 319 2HZ LYS 47 2HZ LYS 47 15.654 -34.677 -7.762 320 3HZ LYS 47 3HZ LYS 47 14.764 -34.123 -9.013 321 H LEU 48 H LEU 48 10.796 -29.624 -8.011 322 HA LEU 48 HA LEU 48 8.446 -30.835 -6.639 323 1HB LEU 48 1HB LEU 48 8.079 -30.066 -9.440 324 2HB LEU 48 2HB LEU 48 7.225 -29.768 -7.936 325 HG LEU 48 HG LEU 48 9.197 -28.042 -7.384 326 1HD1 LEU 48 1HD1 LEU 48 10.584 -27.489 -9.173 327 2HD1 LEU 48 2HD1 LEU 48 10.141 -29.078 -9.845 328 3HD1 LEU 48 3HD1 LEU 48 9.286 -27.677 -10.391 329 1HD2 LEU 48 1HD2 LEU 48 6.648 -27.852 -8.516 330 2HD2 LEU 48 2HD2 LEU 48 7.632 -26.696 -7.528 331 3HD2 LEU 48 3HD2 LEU 48 7.624 -26.712 -9.302 332 HA PRO 49 HA PRO 49 8.700 -34.826 -8.362 333 1HB PRO 49 1HB PRO 49 5.993 -35.328 -9.115 334 2HB PRO 49 2HB PRO 49 6.779 -35.487 -7.513 335 1HG PRO 49 1HG PRO 49 4.899 -33.334 -8.514 336 2HG PRO 49 2HG PRO 49 5.188 -33.890 -6.847 337 1HD PRO 49 1HD PRO 49 6.315 -31.640 -8.141 338 2HD PRO 49 2HD PRO 49 6.715 -32.249 -6.508 339 H LYS 50 H LYS 50 8.212 -35.885 -10.372 340 HA LYS 50 HA LYS 50 8.824 -34.537 -12.859 341 1HB LYS 50 1HB LYS 50 9.503 -36.649 -12.898 342 2HB LYS 50 2HB LYS 50 8.037 -37.328 -12.212 343 1HG LYS 50 1HG LYS 50 6.848 -37.349 -14.232 344 2HG LYS 50 2HG LYS 50 7.862 -36.076 -14.966 345 1HD LYS 50 1HD LYS 50 8.430 -37.806 -16.175 346 2HD LYS 50 2HD LYS 50 9.732 -37.766 -14.952 347 1HE LYS 50 1HE LYS 50 7.936 -39.385 -13.682 348 2HE LYS 50 2HE LYS 50 7.351 -39.593 -15.332 349 1HZ LYS 50 1HZ LYS 50 9.916 -40.434 -14.160 350 2HZ LYS 50 2HZ LYS 50 9.001 -41.233 -15.267 351 3HZ LYS 50 3HZ LYS 50 9.937 -39.962 -15.726 352 H GLY 51 H GLY 51 7.467 -32.918 -13.037 353 1HA GLY 51 1HA GLY 51 5.668 -32.110 -14.835 354 2HA GLY 51 2HA GLY 51 4.675 -33.410 -14.116 355 H ARG 52 H ARG 52 6.091 -30.319 -13.519 356 HA ARG 52 HA ARG 52 3.827 -29.375 -12.011 357 1HB ARG 52 1HB ARG 52 6.038 -30.615 -10.480 358 2HB ARG 52 2HB ARG 52 5.937 -28.927 -10.141 359 1HG ARG 52 1HG ARG 52 3.447 -30.744 -10.041 360 2HG ARG 52 2HG ARG 52 4.544 -30.542 -8.683 361 1HD ARG 52 1HD ARG 52 3.063 -29.047 -8.157 362 2HD ARG 52 2HD ARG 52 4.217 -28.000 -9.080 363 HE ARG 52 HE ARG 52 1.991 -29.068 -10.632 364 1HH1 ARG 52 2HH2 ARG 52 2.633 -26.580 -8.356 365 2HH1 ARG 52 1HH2 ARG 52 1.343 -25.545 -8.981 366 1HH2 ARG 52 2HH1 ARG 52 0.370 -27.755 -11.365 367 2HH2 ARG 52 1HH1 ARG 52 0.051 -26.214 -10.715 368 H THR 53 H THR 53 4.023 -27.248 -11.330 369 HA THR 53 HA THR 53 6.146 -25.650 -12.789 370 HB THR 53 HB THR 53 3.218 -25.349 -13.227 371 HG1 THR 53 HG1 THR 53 5.520 -25.848 -14.717 372 1HG2 THR 53 1HG2 THR 53 3.502 -23.166 -13.496 373 2HG2 THR 53 2HG2 THR 53 5.234 -23.148 -13.153 374 3HG2 THR 53 3HG2 THR 53 4.677 -23.449 -14.799 375 HA PRO 54 HA PRO 54 5.787 -23.975 -8.701 376 1HB PRO 54 1HB PRO 54 8.443 -22.905 -8.498 377 2HB PRO 54 2HB PRO 54 7.990 -24.553 -8.061 378 1HG PRO 54 1HG PRO 54 9.419 -23.646 -10.500 379 2HG PRO 54 2HG PRO 54 9.421 -25.234 -9.699 380 1HD PRO 54 1HD PRO 54 7.885 -24.350 -11.978 381 2HD PRO 54 2HD PRO 54 7.761 -25.951 -11.186 382 H ILE 55 H ILE 55 5.563 -21.973 -7.969 383 HA ILE 55 HA ILE 55 4.830 -19.918 -9.969 384 HB ILE 55 HB ILE 55 4.873 -19.652 -6.944 385 1HG1 ILE 55 1HG1 ILE 55 2.837 -20.758 -8.948 386 2HG1 ILE 55 2HG1 ILE 55 3.284 -21.369 -7.341 387 1HG2 ILE 55 1HG2 ILE 55 3.890 -17.723 -7.141 388 2HG2 ILE 55 2HG2 ILE 55 4.997 -17.553 -8.500 389 3HG2 ILE 55 3HG2 ILE 55 3.292 -17.995 -8.812 390 1HD1 ILE 55 1HD1 ILE 55 1.374 -19.141 -8.049 391 2HD1 ILE 55 2HD1 ILE 55 1.086 -20.568 -7.041 392 3HD1 ILE 55 3HD1 ILE 55 2.178 -19.269 -6.496 393 H LYS 56 H LYS 56 6.322 -18.793 -10.828 394 HA LYS 56 HA LYS 56 9.059 -18.377 -9.585 395 1HB LYS 56 1HB LYS 56 8.979 -18.844 -11.906 396 2HB LYS 56 2HB LYS 56 7.813 -17.575 -12.248 397 1HG LYS 56 1HG LYS 56 10.534 -16.891 -11.044 398 2HG LYS 56 2HG LYS 56 10.369 -17.273 -12.753 399 1HD LYS 56 1HD LYS 56 8.469 -15.472 -12.803 400 2HD LYS 56 2HD LYS 56 9.125 -14.866 -11.298 401 1HE LYS 56 1HE LYS 56 10.711 -13.787 -12.239 402 2HE LYS 56 2HE LYS 56 11.354 -15.287 -12.942 403 1HZ LYS 56 1HZ LYS 56 10.775 -13.799 -14.763 404 2HZ LYS 56 2HZ LYS 56 9.658 -15.003 -14.732 405 3HZ LYS 56 3HZ LYS 56 9.274 -13.527 -14.138 406 H PHE 57 H PHE 57 9.664 -16.617 -8.778 407 HA PHE 57 HA PHE 57 7.943 -14.054 -8.507 408 1HB PHE 57 1HB PHE 57 9.883 -15.035 -6.471 409 2HB PHE 57 2HB PHE 57 8.539 -13.883 -6.337 410 HD1 PHE 57 HD1 PHE 57 9.636 -17.445 -6.258 411 HD2 PHE 57 HD2 PHE 57 6.266 -14.765 -6.340 412 HE1 PHE 57 HE1 PHE 57 8.273 -19.199 -5.286 413 HE2 PHE 57 HE2 PHE 57 4.850 -16.593 -5.199 414 HZ PHE 57 HZ PHE 57 5.884 -18.844 -4.966 415 H GLY 58 H GLY 58 11.250 -15.174 -8.261 416 1HA GLY 58 1HA GLY 58 13.037 -14.035 -9.795 417 2HA GLY 58 2HA GLY 58 12.341 -12.513 -9.164 418 H LYS 59 H LYS 59 12.170 -14.464 -6.601 419 HA LYS 59 HA LYS 59 14.851 -13.604 -5.468 420 1HB LYS 59 1HB LYS 59 12.037 -13.982 -4.397 421 2HB LYS 59 2HB LYS 59 13.266 -14.603 -3.333 422 1HG LYS 59 1HG LYS 59 13.545 -11.847 -4.657 423 2HG LYS 59 2HG LYS 59 12.503 -12.051 -3.253 424 1HD LYS 59 1HD LYS 59 14.205 -11.850 -1.892 425 2HD LYS 59 2HD LYS 59 14.913 -13.337 -2.528 426 1HE LYS 59 1HE LYS 59 16.405 -12.478 -3.797 427 2HE LYS 59 2HE LYS 59 15.525 -10.958 -4.140 428 1HZ LYS 59 1HZ LYS 59 16.206 -10.093 -2.071 429 2HZ LYS 59 2HZ LYS 59 16.469 -11.588 -1.427 430 3HZ LYS 59 3HZ LYS 59 17.557 -10.962 -2.473 431 H SER 60 H SER 60 16.263 -14.881 -4.826 432 HA SER 60 HA SER 60 16.245 -17.669 -5.787 433 1HB SER 60 1HB SER 60 18.472 -17.790 -5.078 434 2HB SER 60 2HB SER 60 18.216 -16.242 -5.941 435 HG SER 60 HG SER 60 19.324 -15.810 -4.105 436 H ASP 61 H ASP 61 14.977 -16.247 -3.126 437 HA ASP 61 HA ASP 61 15.485 -18.256 -1.039 438 1HB ASP 61 1HB ASP 61 13.501 -15.998 -0.795 439 2HB ASP 61 2HB ASP 61 14.429 -16.814 0.398 440 H CYS 62 H CYS 62 12.619 -17.015 -2.669 441 HA CYS 62 HA CYS 62 11.014 -19.267 -1.846 442 1HB CYS 62 1HB CYS 62 10.306 -17.552 -4.196 443 2HB CYS 62 2HB CYS 62 9.221 -18.187 -2.993 444 H ASP 63 H ASP 63 12.970 -18.517 -4.563 445 HA ASP 63 HA ASP 63 12.180 -20.736 -6.432 446 1HB ASP 63 1HB ASP 63 13.330 -18.589 -7.139 447 2HB ASP 63 2HB ASP 63 14.726 -19.124 -6.173 448 H ARG 64 H ARG 64 14.501 -20.277 -3.758 449 HA ARG 64 HA ARG 64 15.940 -22.623 -4.316 450 1HB ARG 64 1HB ARG 64 17.027 -21.980 -2.582 451 2HB ARG 64 2HB ARG 64 15.830 -20.696 -2.293 452 1HG ARG 64 1HG ARG 64 14.557 -22.025 -0.730 453 2HG ARG 64 2HG ARG 64 15.849 -23.248 -0.767 454 1HD ARG 64 1HD ARG 64 15.616 -21.020 0.897 455 2HD ARG 64 2HD ARG 64 16.773 -22.411 0.812 456 HE ARG 64 HE ARG 64 17.282 -19.761 -0.326 457 1HH1 ARG 64 2HH2 ARG 64 18.270 -23.029 -0.338 458 2HH1 ARG 64 1HH2 ARG 64 19.889 -22.663 -0.924 459 1HH2 ARG 64 2HH1 ARG 64 19.157 -19.393 -1.074 460 2HH2 ARG 64 1HH1 ARG 64 20.366 -20.652 -1.338 461 HA PRO 65 HA PRO 65 13.405 -25.992 -3.258 462 1HB PRO 65 1HB PRO 65 15.124 -27.725 -1.885 463 2HB PRO 65 2HB PRO 65 14.882 -27.462 -3.664 464 1HG PRO 65 1HG PRO 65 17.178 -26.571 -1.971 465 2HG PRO 65 2HG PRO 65 17.089 -26.878 -3.759 466 1HD PRO 65 1HD PRO 65 16.899 -24.437 -2.346 467 2HD PRO 65 2HD PRO 65 16.789 -24.687 -4.130 468 HA PRO 66 HA PRO 66 12.370 -24.823 1.184 469 1HB PRO 66 1HB PRO 66 10.046 -26.397 1.423 470 2HB PRO 66 2HB PRO 66 10.224 -24.792 0.578 471 1HG PRO 66 1HG PRO 66 9.794 -27.373 -0.725 472 2HG PRO 66 2HG PRO 66 9.478 -25.641 -1.151 473 1HD PRO 66 1HD PRO 66 11.712 -27.252 -1.933 474 2HD PRO 66 2HD PRO 66 11.409 -25.471 -2.234 475 H LYS 67 H LYS 67 11.822 -26.059 3.130 476 HA LYS 67 HA LYS 67 12.994 -28.878 3.169 477 1HB LYS 67 1HB LYS 67 14.801 -27.531 3.710 478 2HB LYS 67 2HB LYS 67 13.941 -26.719 4.972 479 1HG LYS 67 1HG LYS 67 14.689 -28.314 6.458 480 2HG LYS 67 2HG LYS 67 13.760 -29.557 5.600 481 1HD LYS 67 1HD LYS 67 15.746 -29.653 3.969 482 2HD LYS 67 2HD LYS 67 16.624 -28.916 5.364 483 1HE LYS 67 1HE LYS 67 15.253 -30.793 6.727 484 2HE LYS 67 2HE LYS 67 14.996 -31.526 5.160 485 1HZ LYS 67 1HZ LYS 67 17.677 -30.842 5.379 486 2HZ LYS 67 2HZ LYS 67 17.289 -31.745 6.712 487 3HZ LYS 67 3HZ LYS 67 17.040 -32.324 5.171 488 H HIS 68 H HIS 68 10.470 -28.993 3.041 489 HA HIS 68 HA HIS 68 9.145 -28.433 5.764 490 1HB HIS 68 1HB HIS 68 7.880 -27.748 3.763 491 2HB HIS 68 2HB HIS 68 8.040 -29.382 3.110 492 HD1 HIS 68 HD1 HIS 68 6.093 -30.901 3.643 493 HD2 HIS 68 HD2 HIS 68 6.543 -27.621 6.232 494 HE1 HIS 68 HE1 HIS 68 4.080 -30.957 5.357 495 HE2 HIS 68 HE2 HIS 68 4.309 -28.814 6.722 496 H SER 69 H SER 69 7.902 -30.123 6.767 497 HA SER 69 HA SER 69 8.625 -32.970 6.214 498 1HB SER 69 1HB SER 69 10.362 -31.504 7.902 499 2HB SER 69 2HB SER 69 9.469 -32.677 8.922 500 HG SER 69 HG SER 69 10.897 -33.049 6.540 501 H LYS 70 H LYS 70 7.959 -34.071 8.512 502 HA LYS 70 HA LYS 70 4.951 -33.574 8.636 503 1HB LYS 70 1HB LYS 70 6.773 -35.890 8.882 504 2HB LYS 70 2HB LYS 70 5.693 -35.865 10.225 505 1HG LYS 70 1HG LYS 70 3.782 -36.076 9.058 506 2HG LYS 70 2HG LYS 70 4.412 -35.305 7.591 507 1HD LYS 70 1HD LYS 70 4.218 -37.403 6.941 508 2HD LYS 70 2HD LYS 70 5.960 -37.261 7.259 509 1HE LYS 70 1HE LYS 70 5.928 -38.660 9.076 510 2HE LYS 70 2HE LYS 70 4.331 -38.125 9.596 511 1HZ LYS 70 1HZ LYS 70 4.856 -40.475 8.178 512 2HZ LYS 70 2HZ LYS 70 3.382 -39.854 8.556 513 3HZ LYS 70 3HZ LYS 70 4.085 -39.467 7.134 514 H ASP 71 H ASP 71 5.369 -31.612 9.548 515 HA ASP 71 HA ASP 71 4.846 -31.477 12.416 516 1HB ASP 71 1HB ASP 71 7.721 -31.427 11.701 517 2HB ASP 71 2HB ASP 71 7.221 -29.957 12.443 518 H GLY 72 H GLY 72 6.318 -29.704 9.882 519 1HA GLY 72 1HA GLY 72 4.886 -27.897 8.797 520 2HA GLY 72 2HA GLY 72 4.554 -27.286 10.457 521 H ASN 73 H ASN 73 6.994 -27.393 11.585 522 HA ASN 73 HA ASN 73 9.096 -26.171 9.974 523 1HB ASN 73 1HB ASN 73 7.863 -24.083 10.522 524 2HB ASN 73 2HB ASN 73 7.609 -24.700 12.168 525 1HD2 ASN 73 1HD2 ASN 73 10.544 -24.646 10.036 526 2HD2 ASN 73 2HD2 ASN 73 11.315 -23.697 11.336 527 H GLY 74 H GLY 74 10.083 -28.090 10.487 528 1HA GLY 74 1HA GLY 74 10.639 -28.927 13.251 529 2HA GLY 74 2HA GLY 74 11.504 -29.459 11.772 530 H LYS 75 H LYS 75 13.370 -28.553 11.352 531 HA LYS 75 HA LYS 75 14.702 -26.822 13.512 532 1HB LYS 75 1HB LYS 75 15.766 -28.269 11.031 533 2HB LYS 75 2HB LYS 75 16.755 -27.072 11.874 534 1HG LYS 75 1HG LYS 75 15.980 -28.622 13.993 535 2HG LYS 75 2HG LYS 75 16.062 -29.844 12.689 536 1HD LYS 75 1HD LYS 75 18.382 -28.980 12.179 537 2HD LYS 75 2HD LYS 75 18.137 -27.759 13.476 538 1HE LYS 75 1HE LYS 75 17.642 -29.706 15.013 539 2HE LYS 75 2HE LYS 75 18.341 -30.764 13.778 540 1HZ LYS 75 1HZ LYS 75 19.843 -28.403 14.795 541 2HZ LYS 75 2HZ LYS 75 19.868 -29.774 15.659 542 3HZ LYS 75 3HZ LYS 75 20.474 -29.766 14.134 543 H THR 76 H THR 76 15.546 -26.209 10.344 544 HA THR 76 HA THR 76 14.572 -23.318 10.699 545 HB THR 76 HB THR 76 17.142 -23.908 10.654 546 HG1 THR 76 HG1 THR 76 16.860 -22.019 11.112 547 1HG2 THR 76 1HG2 THR 76 17.023 -24.614 8.074 548 2HG2 THR 76 2HG2 THR 76 17.059 -22.851 7.856 549 3HG2 THR 76 3HG2 THR 76 18.380 -23.640 8.686 550 H ASP 77 H ASP 77 13.367 -25.857 9.361 551 HA ASP 77 HA ASP 77 13.207 -26.311 6.828 552 1HB ASP 77 1HB ASP 77 10.830 -25.612 8.570 553 2HB ASP 77 2HB ASP 77 10.809 -26.458 7.025 554 H HIS 78 H HIS 78 13.824 -24.717 5.282 555 HA HIS 78 HA HIS 78 12.641 -21.923 5.574 556 1HB HIS 78 1HB HIS 78 14.232 -21.365 3.740 557 2HB HIS 78 2HB HIS 78 14.927 -21.806 5.278 558 HD1 HIS 78 HD1 HIS 78 14.580 -23.073 1.766 559 HD2 HIS 78 HD2 HIS 78 16.007 -24.268 5.494 560 HE1 HIS 78 HE1 HIS 78 16.388 -24.909 1.251 561 HE2 HIS 78 HE2 HIS 78 17.091 -25.863 3.490 562 H TYR 79 H TYR 79 10.682 -23.235 5.210 563 HA TYR 79 HA TYR 79 10.017 -23.951 2.364 564 1HB TYR 79 1HB TYR 79 8.232 -25.137 3.181 565 2HB TYR 79 2HB TYR 79 9.619 -25.653 4.112 566 HD1 TYR 79 HD1 TYR 79 6.280 -24.082 4.379 567 HD2 TYR 79 HD2 TYR 79 9.831 -24.913 6.296 568 HE1 TYR 79 HE1 TYR 79 5.157 -23.921 6.481 569 HE2 TYR 79 HE2 TYR 79 8.992 -24.126 8.505 570 HH TYR 79 HH TYR 79 6.268 -24.715 9.074 571 H LEU 80 H LEU 80 8.306 -22.855 1.232 572 HA LEU 80 HA LEU 80 7.797 -20.142 2.355 573 1HB LEU 80 1HB LEU 80 6.795 -21.694 -0.088 574 2HB LEU 80 2HB LEU 80 6.094 -20.146 0.350 575 HG LEU 80 HG LEU 80 8.851 -19.653 0.539 576 1HD1 LEU 80 1HD1 LEU 80 8.728 -21.877 -1.230 577 2HD1 LEU 80 2HD1 LEU 80 8.875 -20.441 -2.240 578 3HD1 LEU 80 3HD1 LEU 80 10.039 -20.772 -0.908 579 1HD2 LEU 80 1HD2 LEU 80 6.939 -18.280 -0.180 580 2HD2 LEU 80 2HD2 LEU 80 8.369 -17.954 -1.044 581 3HD2 LEU 80 3HD2 LEU 80 7.162 -19.012 -1.818 582 H LEU 81 H LEU 81 5.619 -19.266 2.813 583 HA LEU 81 HA LEU 81 3.634 -21.341 3.502 584 1HB LEU 81 1HB LEU 81 4.349 -19.079 5.420 585 2HB LEU 81 2HB LEU 81 3.154 -20.357 5.652 586 HG LEU 81 HG LEU 81 5.097 -21.929 5.300 587 1HD1 LEU 81 1HD1 LEU 81 7.168 -21.238 6.253 588 2HD1 LEU 81 2HD1 LEU 81 6.914 -20.077 4.918 589 3HD1 LEU 81 3HD1 LEU 81 6.574 -19.584 6.588 590 1HD2 LEU 81 1HD2 LEU 81 4.066 -21.883 7.303 591 2HD2 LEU 81 2HD2 LEU 81 5.714 -21.380 7.834 592 3HD2 LEU 81 3HD2 LEU 81 4.461 -20.163 7.713 593 H GLU 82 H GLU 82 1.901 -20.949 2.422 594 HA GLU 82 HA GLU 82 1.435 -18.183 1.548 595 1HB GLU 82 1HB GLU 82 -0.463 -19.003 0.323 596 2HB GLU 82 2HB GLU 82 1.000 -19.993 0.007 597 1HG GLU 82 1HG GLU 82 -1.151 -20.799 1.952 598 2HG GLU 82 2HG GLU 82 -1.483 -20.788 0.246 599 H PHE 83 H PHE 83 -0.188 -16.854 2.072 600 HA PHE 83 HA PHE 83 -2.040 -17.755 4.285 601 1HB PHE 83 1HB PHE 83 0.098 -16.292 4.892 602 2HB PHE 83 2HB PHE 83 -1.058 -15.003 4.364 603 HD1 PHE 83 HD1 PHE 83 -1.650 -13.746 6.032 604 HD2 PHE 83 HD2 PHE 83 -1.825 -18.056 6.255 605 HE1 PHE 83 HE1 PHE 83 -3.077 -13.651 8.162 606 HE2 PHE 83 HE2 PHE 83 -2.967 -17.831 8.558 607 HZ PHE 83 HZ PHE 83 -3.078 -15.704 9.461 608 HA PRO 84 HA PRO 84 -5.196 -15.883 1.752 609 1HB PRO 84 1HB PRO 84 -7.365 -16.139 3.441 610 2HB PRO 84 2HB PRO 84 -6.662 -17.424 2.367 611 1HG PRO 84 1HG PRO 84 -6.394 -16.889 5.215 612 2HG PRO 84 2HG PRO 84 -6.316 -18.526 4.396 613 1HD PRO 84 1HD PRO 84 -4.284 -16.891 5.458 614 2HD PRO 84 2HD PRO 84 -4.070 -18.301 4.309 615 H THR 85 H THR 85 -4.309 -13.988 1.598 616 HA THR 85 HA THR 85 -4.940 -11.854 3.568 617 HB THR 85 HB THR 85 -2.692 -12.006 2.831 618 HG1 THR 85 HG1 THR 85 -4.094 -9.711 2.230 619 1HG2 THR 85 1HG2 THR 85 -1.870 -11.511 0.689 620 2HG2 THR 85 2HG2 THR 85 -3.346 -12.298 0.174 621 3HG2 THR 85 3HG2 THR 85 -3.232 -10.524 0.237 622 H PHE 86 H PHE 86 -7.076 -11.521 3.375 623 HA PHE 86 HA PHE 86 -8.244 -11.033 0.707 624 1HB PHE 86 1HB PHE 86 -9.394 -10.379 3.375 625 2HB PHE 86 2HB PHE 86 -10.292 -10.616 1.864 626 HD1 PHE 86 HD1 PHE 86 -9.041 -12.238 4.784 627 HD2 PHE 86 HD2 PHE 86 -9.866 -12.966 0.566 628 HE1 PHE 86 HE1 PHE 86 -9.609 -14.609 5.233 629 HE2 PHE 86 HE2 PHE 86 -10.232 -15.387 1.119 630 HZ PHE 86 HZ PHE 86 -10.017 -16.165 3.423 631 HA PRO 87 HA PRO 87 -7.529 -6.637 0.319 632 1HB PRO 87 1HB PRO 87 -10.040 -5.766 -0.783 633 2HB PRO 87 2HB PRO 87 -8.549 -6.216 -1.577 634 1HG PRO 87 1HG PRO 87 -11.121 -7.765 -1.200 635 2HG PRO 87 2HG PRO 87 -9.805 -8.142 -2.376 636 1HD PRO 87 1HD PRO 87 -10.440 -9.348 0.101 637 2HD PRO 87 2HD PRO 87 -9.055 -9.758 -1.008 638 H ASP 88 H ASP 88 -10.697 -7.599 1.508 639 HA ASP 88 HA ASP 88 -11.963 -5.384 2.768 640 1HB ASP 88 1HB ASP 88 -12.506 -8.029 2.735 641 2HB ASP 88 2HB ASP 88 -11.583 -7.917 4.219 642 H GLY 89 H GLY 89 -9.134 -7.085 3.720 643 1HA GLY 89 1HA GLY 89 -7.361 -6.339 5.080 644 2HA GLY 89 2HA GLY 89 -8.354 -4.910 5.578 645 H HIS 90 H HIS 90 -9.820 -7.784 5.863 646 HA HIS 90 HA HIS 90 -9.805 -7.736 8.797 647 1HB HIS 90 1HB HIS 90 -11.629 -9.254 8.752 648 2HB HIS 90 2HB HIS 90 -11.902 -7.984 7.574 649 HD1 HIS 90 HD1 HIS 90 -13.128 -8.937 5.490 650 HD2 HIS 90 HD2 HIS 90 -10.523 -11.651 7.411 651 HE1 HIS 90 HE1 HIS 90 -13.101 -11.132 4.054 652 HE2 HIS 90 HE2 HIS 90 -11.693 -12.862 5.376 653 H ASP 91 H ASP 91 -8.635 -8.947 9.987 654 HA ASP 91 HA ASP 91 -6.482 -10.788 8.982 655 1HB ASP 91 1HB ASP 91 -6.244 -9.249 10.966 656 2HB ASP 91 2HB ASP 91 -7.523 -10.187 11.801 657 H TYR 92 H TYR 92 -7.508 -12.319 7.905 658 HA TYR 92 HA TYR 92 -9.647 -13.922 8.084 659 1HB TYR 92 1HB TYR 92 -7.972 -14.371 6.461 660 2HB TYR 92 2HB TYR 92 -6.789 -14.727 7.627 661 HD1 TYR 92 HD1 TYR 92 -6.174 -16.980 7.454 662 HD2 TYR 92 HD2 TYR 92 -10.395 -16.005 7.341 663 HE1 TYR 92 HE1 TYR 92 -6.782 -19.402 7.431 664 HE2 TYR 92 HE2 TYR 92 -10.842 -18.493 7.660 665 HH TYR 92 HH TYR 92 -10.155 -20.422 7.056 666 H LYS 93 H LYS 93 -10.516 -15.518 9.381 667 HA LYS 93 HA LYS 93 -9.533 -15.711 12.203 668 1HB LYS 93 1HB LYS 93 -11.530 -17.166 12.492 669 2HB LYS 93 2HB LYS 93 -11.761 -15.411 12.152 670 1HG LYS 93 1HG LYS 93 -12.435 -15.778 9.880 671 2HG LYS 93 2HG LYS 93 -11.808 -17.433 9.872 672 1HD LYS 93 1HD LYS 93 -14.143 -17.561 9.955 673 2HD LYS 93 2HD LYS 93 -13.535 -18.004 11.589 674 1HE LYS 93 1HE LYS 93 -14.295 -15.202 10.890 675 2HE LYS 93 2HE LYS 93 -15.587 -16.390 11.158 676 1HZ LYS 93 1HZ LYS 93 -14.973 -16.640 13.402 677 2HZ LYS 93 2HZ LYS 93 -13.425 -16.222 13.155 678 3HZ LYS 93 3HZ LYS 93 -14.565 -15.052 13.210 679 H PHE 94 H PHE 94 -7.561 -16.489 11.075 680 HA PHE 94 HA PHE 94 -7.385 -19.377 10.492 681 1HB PHE 94 1HB PHE 94 -4.953 -19.070 10.609 682 2HB PHE 94 2HB PHE 94 -5.780 -18.225 9.344 683 HD1 PHE 94 HD1 PHE 94 -3.763 -17.707 12.371 684 HD2 PHE 94 HD2 PHE 94 -6.200 -15.875 9.349 685 HE1 PHE 94 HE1 PHE 94 -2.918 -15.432 12.995 686 HE2 PHE 94 HE2 PHE 94 -5.456 -13.659 9.943 687 HZ PHE 94 HZ PHE 94 -3.751 -13.393 11.758 688 H ASP 95 H ASP 95 -7.394 -17.456 13.360 689 HA ASP 95 HA ASP 95 -5.866 -19.366 15.168 690 1HB ASP 95 1HB ASP 95 -5.669 -16.925 15.365 691 2HB ASP 95 2HB ASP 95 -7.428 -16.814 15.560 692 H SER 96 H SER 96 -9.143 -18.459 14.419 693 HA SER 96 HA SER 96 -10.308 -20.194 16.567 694 1HB SER 96 1HB SER 96 -11.804 -18.786 14.331 695 2HB SER 96 2HB SER 96 -12.466 -19.532 15.825 696 HG SER 96 HG SER 96 -10.973 -17.871 16.839 697 H LYS 97 H LYS 97 -10.204 -22.228 16.243 698 HA LYS 97 HA LYS 97 -10.018 -23.688 13.763 699 1HB LYS 97 1HB LYS 97 -10.302 -25.656 14.938 700 2HB LYS 97 2HB LYS 97 -9.799 -24.547 16.204 701 1HG LYS 97 1HG LYS 97 -12.195 -24.347 16.940 702 2HG LYS 97 2HG LYS 97 -12.649 -25.553 15.667 703 1HD LYS 97 1HD LYS 97 -11.442 -27.242 16.620 704 2HD LYS 97 2HD LYS 97 -10.843 -26.140 17.929 705 1HE LYS 97 1HE LYS 97 -13.649 -25.750 17.817 706 2HE LYS 97 2HE LYS 97 -13.500 -27.479 17.537 707 1HZ LYS 97 1HZ LYS 97 -12.105 -26.100 19.763 708 2HZ LYS 97 2HZ LYS 97 -13.606 -26.708 20.000 709 3HZ LYS 97 3HZ LYS 97 -12.344 -27.702 19.626 710 H LYS 98 H LYS 98 -12.848 -22.851 15.460 711 HA LYS 98 HA LYS 98 -14.476 -22.993 13.049 712 1HB LYS 98 1HB LYS 98 -14.720 -25.208 13.722 713 2HB LYS 98 2HB LYS 98 -15.133 -24.812 15.386 714 1HG LYS 98 1HG LYS 98 -17.202 -23.513 13.934 715 2HG LYS 98 2HG LYS 98 -16.799 -24.873 12.875 716 1HD LYS 98 1HD LYS 98 -17.227 -26.331 14.822 717 2HD LYS 98 2HD LYS 98 -17.473 -24.861 15.841 718 1HE LYS 98 1HE LYS 98 -19.570 -24.515 15.160 719 2HE LYS 98 2HE LYS 98 -19.093 -24.615 13.478 720 1HZ LYS 98 1HZ LYS 98 -20.325 -26.523 13.486 721 2HZ LYS 98 2HZ LYS 98 -19.034 -27.211 14.213 722 3HZ LYS 98 3HZ LYS 98 -20.297 -26.691 15.116 723 HA PRO 99 HA PRO 99 -16.292 -22.212 12.214 724 1HB PRO 99 1HB PRO 99 -17.090 -19.844 11.222 725 2HB PRO 99 2HB PRO 99 -18.084 -21.110 12.031 726 1HG PRO 99 1HG PRO 99 -17.200 -18.477 13.096 727 2HG PRO 99 2HG PRO 99 -18.658 -19.468 13.505 728 1HD PRO 99 1HD PRO 99 -16.160 -19.276 14.933 729 2HD PRO 99 2HD PRO 99 -17.536 -20.371 15.307 730 H LYS 100 H LYS 100 -15.297 -21.347 10.253 731 HA LYS 100 HA LYS 100 -12.867 -19.660 10.495 732 1HB LYS 100 1HB LYS 100 -11.260 -21.071 10.188 733 2HB LYS 100 2HB LYS 100 -12.374 -22.137 11.063 734 1HG LYS 100 1HG LYS 100 -13.261 -22.949 8.896 735 2HG LYS 100 2HG LYS 100 -11.939 -22.045 8.064 736 1HD LYS 100 1HD LYS 100 -10.377 -23.267 8.478 737 2HD LYS 100 2HD LYS 100 -10.816 -23.763 10.140 738 1HE LYS 100 1HE LYS 100 -11.541 -24.826 7.408 739 2HE LYS 100 2HE LYS 100 -10.624 -25.635 8.720 740 1HZ LYS 100 1HZ LYS 100 -12.944 -24.941 9.858 741 2HZ LYS 100 2HZ LYS 100 -13.486 -25.324 8.357 742 3HZ LYS 100 3HZ LYS 100 -12.697 -26.466 9.278 743 H GLU 101 H GLU 101 -12.487 -18.724 8.577 744 HA GLU 101 HA GLU 101 -14.554 -18.660 6.474 745 1HB GLU 101 1HB GLU 101 -12.636 -16.873 7.326 746 2HB GLU 101 2HB GLU 101 -11.851 -17.554 5.885 747 1HG GLU 101 1HG GLU 101 -13.455 -16.770 4.446 748 2HG GLU 101 2HG GLU 101 -14.631 -16.555 5.755 749 H ASN 102 H ASN 102 -13.590 -18.669 4.112 750 HA ASN 102 HA ASN 102 -12.399 -21.415 3.755 751 1HB ASN 102 1HB ASN 102 -14.867 -21.251 3.409 752 2HB ASN 102 2HB ASN 102 -14.430 -20.309 1.932 753 1HD2 ASN 102 1HD2 ASN 102 -14.971 -21.875 0.400 754 2HD2 ASN 102 2HD2 ASN 102 -14.134 -23.466 0.436 755 HA PRO 103 HA PRO 103 -9.583 -18.847 1.209 756 1HB PRO 103 1HB PRO 103 -7.661 -20.916 0.748 757 2HB PRO 103 2HB PRO 103 -7.828 -19.939 2.249 758 1HG PRO 103 1HG PRO 103 -8.761 -22.736 1.661 759 2HG PRO 103 2HG PRO 103 -8.295 -21.878 3.233 760 1HD PRO 103 1HD PRO 103 -10.796 -22.467 2.301 761 2HD PRO 103 2HD PRO 103 -10.195 -21.596 3.796 762 H GLY 104 H GLY 104 -8.421 -20.056 -0.912 763 1HA GLY 104 1HA GLY 104 -9.111 -21.250 -3.207 764 2HA GLY 104 2HA GLY 104 -10.660 -20.487 -2.863 765 HA PRO 105 HA PRO 105 -9.066 -16.634 -4.584 766 1HB PRO 105 1HB PRO 105 -8.821 -14.550 -2.640 767 2HB PRO 105 2HB PRO 105 -10.325 -15.195 -3.407 768 1HG PRO 105 1HG PRO 105 -9.099 -15.623 -0.765 769 2HG PRO 105 2HG PRO 105 -10.864 -15.619 -1.221 770 1HD PRO 105 1HD PRO 105 -9.062 -17.693 -0.796 771 2HD PRO 105 2HD PRO 105 -10.791 -17.824 -1.471 772 H ALA 106 H ALA 106 -7.327 -14.590 -3.910 773 HA ALA 106 HA ALA 106 -4.789 -15.918 -4.231 774 1HB ALA 106 1HB ALA 106 -5.479 -13.462 -4.950 775 2HB ALA 106 2HB ALA 106 -4.898 -13.053 -3.270 776 3HB ALA 106 3HB ALA 106 -3.822 -13.676 -4.487 777 H ARG 107 H ARG 107 -3.013 -15.397 -2.964 778 HA ARG 107 HA ARG 107 -3.219 -15.052 -0.037 779 1HB ARG 107 1HB ARG 107 -2.257 -17.630 -1.458 780 2HB ARG 107 2HB ARG 107 -1.904 -17.226 0.236 781 1HG ARG 107 1HG ARG 107 -4.609 -16.883 0.220 782 2HG ARG 107 2HG ARG 107 -4.561 -17.979 -1.086 783 1HD ARG 107 1HD ARG 107 -2.973 -18.884 1.295 784 2HD ARG 107 2HD ARG 107 -4.592 -18.365 1.729 785 HE ARG 107 HE ARG 107 -5.421 -20.181 1.034 786 1HH1 ARG 107 2HH2 ARG 107 -2.730 -19.632 -0.899 787 2HH1 ARG 107 1HH2 ARG 107 -2.767 -21.091 -1.839 788 1HH2 ARG 107 2HH1 ARG 107 -5.623 -22.021 -0.098 789 2HH2 ARG 107 1HH1 ARG 107 -4.426 -22.430 -1.361 790 H VAL 108 H VAL 108 -1.370 -14.710 0.921 791 HA VAL 108 HA VAL 108 0.935 -13.526 -0.705 792 HB VAL 108 HB VAL 108 0.067 -12.101 1.029 793 1HG1 VAL 108 1HG1 VAL 108 -0.899 -13.054 2.879 794 2HG1 VAL 108 2HG1 VAL 108 0.064 -14.487 2.738 795 3HG1 VAL 108 3HG1 VAL 108 0.758 -13.142 3.543 796 1HG2 VAL 108 1HG2 VAL 108 2.625 -12.435 0.487 797 2HG2 VAL 108 2HG2 VAL 108 2.006 -11.304 1.705 798 3HG2 VAL 108 3HG2 VAL 108 2.679 -12.879 2.202 799 H ILE 109 H ILE 109 2.598 -14.520 -1.124 800 HA ILE 109 HA ILE 109 3.278 -17.067 0.406 801 HB ILE 109 HB ILE 109 3.396 -16.279 -2.483 802 1HG1 ILE 109 1HG1 ILE 109 2.428 -18.452 -2.781 803 2HG1 ILE 109 2HG1 ILE 109 2.605 -18.909 -1.065 804 1HG2 ILE 109 1HG2 ILE 109 4.851 -18.490 -1.072 805 2HG2 ILE 109 2HG2 ILE 109 4.843 -18.254 -2.866 806 3HG2 ILE 109 3HG2 ILE 109 5.649 -17.087 -1.923 807 1HD1 ILE 109 1HD1 ILE 109 0.214 -18.298 -1.685 808 2HD1 ILE 109 2HD1 ILE 109 0.899 -17.368 -0.441 809 3HD1 ILE 109 3HD1 ILE 109 0.900 -16.679 -2.115 810 H TYR 110 H TYR 110 4.982 -17.105 1.481 811 HA TYR 110 HA TYR 110 7.288 -15.323 0.762 812 1HB TYR 110 1HB TYR 110 7.335 -14.501 3.032 813 2HB TYR 110 2HB TYR 110 5.837 -14.043 2.227 814 HD1 TYR 110 HD1 TYR 110 3.697 -14.539 3.321 815 HD2 TYR 110 HD2 TYR 110 7.208 -16.705 4.605 816 HE1 TYR 110 HE1 TYR 110 2.491 -15.538 5.217 817 HE2 TYR 110 HE2 TYR 110 6.136 -17.586 6.358 818 HH TYR 110 HH TYR 110 2.661 -16.988 7.109 819 H THR 111 H THR 111 9.102 -15.988 1.689 820 HA THR 111 HA THR 111 9.416 -18.930 2.291 821 HB THR 111 HB THR 111 11.629 -18.725 1.960 822 HG1 THR 111 HG1 THR 111 11.441 -16.163 2.923 823 1HG2 THR 111 1HG2 THR 111 10.184 -17.873 0.008 824 2HG2 THR 111 2HG2 THR 111 10.801 -16.242 0.376 825 3HG2 THR 111 3HG2 THR 111 11.914 -17.606 0.045 826 H TYR 112 H TYR 112 10.662 -19.783 4.065 827 HA TYR 112 HA TYR 112 10.078 -18.125 6.497 828 1HB TYR 112 1HB TYR 112 8.855 -19.701 6.771 829 2HB TYR 112 2HB TYR 112 9.929 -21.025 6.122 830 HD1 TYR 112 HD1 TYR 112 8.215 -20.254 8.993 831 HD2 TYR 112 HD2 TYR 112 12.132 -21.350 7.540 832 HE1 TYR 112 HE1 TYR 112 9.019 -20.648 11.305 833 HE2 TYR 112 HE2 TYR 112 12.866 -21.894 9.651 834 HH TYR 112 HH TYR 112 11.043 -21.626 12.460 835 HA PRO 113 HA PRO 113 10.607 -18.255 8.770 836 1HB PRO 113 1HB PRO 113 12.066 -16.764 10.479 837 2HB PRO 113 2HB PRO 113 11.760 -18.529 10.558 838 1HG PRO 113 1HG PRO 113 14.243 -17.103 9.757 839 2HG PRO 113 2HG PRO 113 14.030 -18.760 10.446 840 1HD PRO 113 1HD PRO 113 14.491 -18.078 7.679 841 2HD PRO 113 2HD PRO 113 13.978 -19.673 8.319 842 H ASN 114 H ASN 114 13.232 -16.092 7.835 843 HA ASN 114 HA ASN 114 11.897 -13.574 7.948 844 1HB ASN 114 1HB ASN 114 14.440 -14.370 7.113 845 2HB ASN 114 2HB ASN 114 13.695 -14.223 5.558 846 1HD2 ASN 114 1HD2 ASN 114 14.511 -12.303 4.771 847 2HD2 ASN 114 2HD2 ASN 114 14.367 -10.802 5.766 848 H LYS 115 H LYS 115 9.942 -13.229 7.191 849 HA LYS 115 HA LYS 115 8.603 -14.533 5.018 850 1HB LYS 115 1HB LYS 115 8.027 -12.220 6.897 851 2HB LYS 115 2HB LYS 115 7.008 -12.193 5.464 852 1HG LYS 115 1HG LYS 115 5.830 -13.868 5.817 853 2HG LYS 115 2HG LYS 115 7.126 -14.828 6.642 854 1HD LYS 115 1HD LYS 115 5.268 -12.753 7.784 855 2HD LYS 115 2HD LYS 115 5.194 -14.517 7.960 856 1HE LYS 115 1HE LYS 115 6.786 -14.436 9.684 857 2HE LYS 115 2HE LYS 115 7.910 -13.887 8.462 858 1HZ LYS 115 1HZ LYS 115 6.513 -12.419 10.502 859 2HZ LYS 115 2HZ LYS 115 7.952 -12.032 9.754 860 3HZ LYS 115 3HZ LYS 115 6.494 -11.697 9.033 861 H VAL 116 H VAL 116 10.307 -14.183 3.711 862 HA VAL 116 HA VAL 116 10.951 -11.654 2.333 863 HB VAL 116 HB VAL 116 11.574 -14.465 1.473 864 1HG1 VAL 116 1HG1 VAL 116 12.393 -13.648 -0.417 865 2HG1 VAL 116 2HG1 VAL 116 11.679 -12.074 -0.122 866 3HG1 VAL 116 3HG1 VAL 116 13.315 -12.328 0.394 867 1HG2 VAL 116 1HG2 VAL 116 13.440 -14.571 2.685 868 2HG2 VAL 116 2HG2 VAL 116 13.861 -12.870 2.500 869 3HG2 VAL 116 3HG2 VAL 116 12.654 -13.329 3.677 870 H PHE 117 H PHE 117 8.763 -11.325 2.140 871 HA PHE 117 HA PHE 117 6.625 -12.275 0.740 872 1HB PHE 117 1HB PHE 117 6.619 -10.172 1.924 873 2HB PHE 117 2HB PHE 117 7.710 -9.442 0.726 874 HD1 PHE 117 HD1 PHE 117 4.286 -9.944 1.628 875 HD2 PHE 117 HD2 PHE 117 6.972 -9.345 -1.848 876 HE1 PHE 117 HE1 PHE 117 2.501 -9.275 0.239 877 HE2 PHE 117 HE2 PHE 117 5.206 -9.037 -3.198 878 HZ PHE 117 HZ PHE 117 2.900 -8.893 -2.321 879 H CYS 118 H CYS 118 6.751 -13.406 -1.062 880 HA CYS 118 HA CYS 118 8.524 -12.498 -3.259 881 1HB CYS 118 1HB CYS 118 7.479 -15.057 -2.251 882 2HB CYS 118 2HB CYS 118 7.104 -14.795 -3.947 883 H GLY 119 H GLY 119 5.172 -12.903 -2.537 884 1HA GLY 119 1HA GLY 119 4.070 -10.813 -3.931 885 2HA GLY 119 2HA GLY 119 4.191 -12.083 -5.150 886 H ILE 120 H ILE 120 1.909 -11.802 -5.132 887 HA ILE 120 HA ILE 120 0.518 -13.367 -2.974 888 HB ILE 120 HB ILE 120 -0.393 -10.804 -4.372 889 1HG1 ILE 120 1HG1 ILE 120 -1.346 -10.658 -1.780 890 2HG1 ILE 120 2HG1 ILE 120 -0.211 -11.958 -1.548 891 1HG2 ILE 120 1HG2 ILE 120 -2.263 -12.202 -4.791 892 2HG2 ILE 120 2HG2 ILE 120 -2.304 -12.747 -3.081 893 3HG2 ILE 120 3HG2 ILE 120 -2.608 -11.033 -3.557 894 1HD1 ILE 120 1HD1 ILE 120 1.387 -10.664 -1.426 895 2HD1 ILE 120 2HD1 ILE 120 1.183 -9.970 -3.071 896 3HD1 ILE 120 3HD1 ILE 120 0.340 -9.188 -1.768 897 H ILE 121 H ILE 121 -0.056 -15.170 -3.764 898 HA ILE 121 HA ILE 121 -0.211 -15.530 -6.776 899 HB ILE 121 HB ILE 121 -0.167 -17.906 -6.326 900 1HG1 ILE 121 1HG1 ILE 121 -0.814 -17.327 -3.422 901 2HG1 ILE 121 2HG1 ILE 121 -1.863 -18.083 -4.588 902 1HG2 ILE 121 1HG2 ILE 121 1.969 -16.828 -6.092 903 2HG2 ILE 121 2HG2 ILE 121 1.812 -16.442 -4.363 904 3HG2 ILE 121 3HG2 ILE 121 1.962 -18.083 -4.842 905 1HD1 ILE 121 1HD1 ILE 121 0.051 -19.802 -4.961 906 2HD1 ILE 121 2HD1 ILE 121 0.552 -19.279 -3.390 907 3HD1 ILE 121 3HD1 ILE 121 -1.023 -19.967 -3.507 908 H ALA 122 H ALA 122 -2.166 -16.504 -7.666 909 HA ALA 122 HA ALA 122 -4.604 -16.943 -6.077 910 1HB ALA 122 1HB ALA 122 -4.349 -14.307 -6.687 911 2HB ALA 122 2HB ALA 122 -5.340 -14.969 -8.035 912 3HB ALA 122 3HB ALA 122 -5.927 -15.180 -6.427 913 H HIS 123 H HIS 123 -6.488 -17.432 -7.335 914 HA HIS 123 HA HIS 123 -5.527 -18.952 -9.732 915 1HB HIS 123 1HB HIS 123 -8.242 -19.217 -8.346 916 2HB HIS 123 2HB HIS 123 -7.551 -20.229 -9.630 917 HD1 HIS 123 HD1 HIS 123 -6.161 -22.349 -8.760 918 HD2 HIS 123 HD2 HIS 123 -6.812 -19.216 -5.992 919 HE1 HIS 123 HE1 HIS 123 -5.415 -23.224 -6.484 920 HE2 HIS 123 HE2 HIS 123 -5.802 -21.260 -4.783 921 H THR 124 H THR 124 -5.320 -17.496 -11.210 922 HA THR 124 HA THR 124 -7.710 -15.777 -12.006 923 HB THR 124 HB THR 124 -5.427 -14.796 -11.703 924 HG1 THR 124 HG1 THR 124 -6.579 -13.302 -12.451 925 1HG2 THR 124 1HG2 THR 124 -4.955 -15.301 -14.627 926 2HG2 THR 124 2HG2 THR 124 -3.936 -14.713 -13.343 927 3HG2 THR 124 3HG2 THR 124 -4.394 -16.488 -13.432 928 H LYS 125 H LYS 125 -7.952 -18.345 -12.367 929 HA LYS 125 HA LYS 125 -7.910 -18.813 -15.422 930 1HB LYS 125 1HB LYS 125 -6.601 -20.451 -13.963 931 2HB LYS 125 2HB LYS 125 -8.199 -21.005 -13.417 932 1HG LYS 125 1HG LYS 125 -8.164 -22.370 -15.246 933 2HG LYS 125 2HG LYS 125 -8.473 -20.936 -16.238 934 1HD LYS 125 1HD LYS 125 -6.129 -20.502 -16.539 935 2HD LYS 125 2HD LYS 125 -5.703 -21.947 -15.593 936 1HE LYS 125 1HE LYS 125 -7.615 -22.129 -17.946 937 2HE LYS 125 2HE LYS 125 -5.882 -21.967 -18.239 938 1HZ LYS 125 1HZ LYS 125 -5.757 -23.941 -16.530 939 2HZ LYS 125 2HZ LYS 125 -7.291 -24.250 -17.038 940 3HZ LYS 125 3HZ LYS 125 -6.046 -24.247 -18.103 941 H GLU 126 H GLU 126 -9.956 -18.652 -12.634 942 HA GLU 126 HA GLU 126 -12.272 -17.963 -14.042 943 1HB GLU 126 1HB GLU 126 -11.730 -20.800 -14.266 944 2HB GLU 126 2HB GLU 126 -12.982 -20.659 -13.124 945 1HG GLU 126 1HG GLU 126 -13.266 -18.947 -15.620 946 2HG GLU 126 2HG GLU 126 -13.282 -20.694 -15.814 947 H ASN 127 H ASN 127 -11.838 -20.115 -11.456 948 HA ASN 127 HA ASN 127 -12.426 -18.147 -9.287 949 1HB ASN 127 1HB ASN 127 -14.572 -19.376 -10.511 950 2HB ASN 127 2HB ASN 127 -14.213 -20.572 -9.261 951 1HD2 ASN 127 1HD2 ASN 127 -16.101 -18.066 -9.826 952 2HD2 ASN 127 2HD2 ASN 127 -16.213 -17.475 -8.121 953 H GLN 128 H GLN 128 -12.008 -21.502 -9.946 954 HA GLN 128 HA GLN 128 -9.856 -21.876 -7.989 955 1HB GLN 128 1HB GLN 128 -11.673 -22.126 -6.619 956 2HB GLN 128 2HB GLN 128 -12.590 -23.119 -7.758 957 1HG GLN 128 1HG GLN 128 -11.459 -25.038 -7.345 958 2HG GLN 128 2HG GLN 128 -9.938 -24.207 -6.907 959 1HE2 GLN 128 1HE2 GLN 128 -10.171 -26.286 -5.570 960 2HE2 GLN 128 2HE2 GLN 128 -10.887 -25.791 -3.982 961 H GLY 129 H GLY 129 -8.776 -21.903 -9.995 962 1HA GLY 129 1HA GLY 129 -8.649 -24.805 -11.035 963 2HA GLY 129 2HA GLY 129 -8.510 -23.442 -12.145 964 H GLU 130 H GLU 130 -6.545 -22.684 -12.314 965 HA GLU 130 HA GLU 130 -4.198 -24.032 -10.890 966 1HB GLU 130 1HB GLU 130 -4.745 -22.930 -13.576 967 2HB GLU 130 2HB GLU 130 -3.353 -22.166 -12.882 968 1HG GLU 130 1HG GLU 130 -3.768 -25.200 -12.663 969 2HG GLU 130 2HG GLU 130 -3.225 -24.540 -14.182 970 H LEU 131 H LEU 131 -2.628 -22.956 -9.879 971 HA LEU 131 HA LEU 131 -3.410 -20.243 -8.930 972 1HB LEU 131 1HB LEU 131 -3.312 -22.295 -7.261 973 2HB LEU 131 2HB LEU 131 -1.577 -22.210 -7.466 974 HG LEU 131 HG LEU 131 -1.394 -20.181 -6.379 975 1HD1 LEU 131 1HD1 LEU 131 -3.448 -18.815 -5.674 976 2HD1 LEU 131 2HD1 LEU 131 -2.663 -18.799 -7.266 977 3HD1 LEU 131 3HD1 LEU 131 -4.212 -19.674 -7.033 978 1HD2 LEU 131 1HD2 LEU 131 -3.067 -20.344 -4.294 979 2HD2 LEU 131 2HD2 LEU 131 -3.659 -21.833 -5.059 980 3HD2 LEU 131 3HD2 LEU 131 -1.977 -21.743 -4.625 981 H LYS 132 H LYS 132 -2.114 -18.678 -9.334 982 HA LYS 132 HA LYS 132 0.762 -19.072 -10.143 983 1HB LYS 132 1HB LYS 132 0.432 -17.618 -12.063 984 2HB LYS 132 2HB LYS 132 -0.467 -19.132 -12.206 985 1HG LYS 132 1HG LYS 132 -2.435 -18.031 -12.533 986 2HG LYS 132 2HG LYS 132 -2.300 -17.175 -11.033 987 1HD LYS 132 1HD LYS 132 -2.291 -15.374 -12.133 988 2HD LYS 132 2HD LYS 132 -0.591 -15.592 -12.322 989 1HE LYS 132 1HE LYS 132 -2.557 -16.819 -14.289 990 2HE LYS 132 2HE LYS 132 -1.971 -15.158 -14.491 991 1HZ LYS 132 1HZ LYS 132 0.251 -16.004 -14.699 992 2HZ LYS 132 2HZ LYS 132 -0.197 -17.545 -14.346 993 3HZ LYS 132 3HZ LYS 132 -0.673 -16.857 -15.752 994 H LEU 133 H LEU 133 1.680 -16.830 -10.477 995 HA LEU 133 HA LEU 133 1.292 -15.279 -7.920 996 1HB LEU 133 1HB LEU 133 3.545 -15.793 -8.892 997 2HB LEU 133 2HB LEU 133 3.219 -14.671 -10.157 998 HG LEU 133 HG LEU 133 2.864 -12.928 -8.140 999 1HD1 LEU 133 1HD1 LEU 133 3.587 -15.466 -6.657 1000 2HD1 LEU 133 2HD1 LEU 133 4.232 -13.959 -6.044 1001 3HD1 LEU 133 3HD1 LEU 133 2.497 -14.178 -6.166 1002 1HD2 LEU 133 1HD2 LEU 133 4.884 -13.069 -9.476 1003 2HD2 LEU 133 2HD2 LEU 133 5.331 -12.800 -7.777 1004 3HD2 LEU 133 3HD2 LEU 133 5.490 -14.430 -8.498 1005 H CYS 134 H CYS 134 0.353 -13.280 -7.815 1006 HA CYS 134 HA CYS 134 -1.149 -12.060 -10.072 1007 1HB CYS 134 1HB CYS 134 -0.408 -11.096 -7.234 1008 2HB CYS 134 2HB CYS 134 -1.471 -10.267 -8.296 1009 H SER 135 H SER 135 -0.897 -9.680 -9.993 1010 HA SER 135 HA SER 135 1.889 -8.789 -10.534 1011 1HB SER 135 1HB SER 135 1.692 -8.330 -12.812 1012 2HB SER 135 2HB SER 135 1.382 -10.068 -12.552 1013 HG SER 135 HG SER 135 -0.846 -9.587 -12.894 1014 H HIS 136 H HIS 136 1.334 -7.490 -8.764 1015 HA HIS 136 HA HIS 136 -0.642 -5.338 -8.666 1016 1HB HIS 136 1HB HIS 136 1.265 -4.116 -7.553 1017 2HB HIS 136 2HB HIS 136 0.982 -5.671 -6.832 1018 HD1 HIS 136 HD1 HIS 136 2.937 -5.936 -9.867 1019 HD2 HIS 136 HD2 HIS 136 3.819 -4.708 -6.079 1020 HE1 HIS 136 HE1 HIS 136 5.491 -6.732 -9.410 1021 HE2 HIS 136 HE2 HIS 136 5.989 -5.771 -7.047 Start of MODEL 22 1 1H ALA 1 H1 ALA 1 0.584 0.663 -0.056 2 2H ALA 1 H2 ALA 1 1.894 0.216 0.825 3 3H ALA 1 H3 ALA 1 0.869 -0.936 0.214 4 HA ALA 1 HA ALA 1 3.135 0.157 -0.998 5 1HB ALA 1 1HB ALA 1 1.270 -1.463 -2.676 6 2HB ALA 1 2HB ALA 1 2.987 -1.709 -2.295 7 3HB ALA 1 3HB ALA 1 1.720 -2.209 -1.145 8 H VAL 2 H VAL 2 2.305 0.137 -3.824 9 HA VAL 2 HA VAL 2 1.720 1.618 -5.385 10 HB VAL 2 HB VAL 2 -0.586 0.981 -4.001 11 1HG1 VAL 2 1HG1 VAL 2 -0.757 3.096 -2.871 12 2HG1 VAL 2 2HG1 VAL 2 -0.505 3.952 -4.386 13 3HG1 VAL 2 3HG1 VAL 2 -2.002 3.041 -4.117 14 1HG2 VAL 2 1HG2 VAL 2 -1.749 1.599 -6.027 15 2HG2 VAL 2 2HG2 VAL 2 -0.372 2.588 -6.569 16 3HG2 VAL 2 3HG2 VAL 2 -0.218 0.821 -6.422 17 H THR 3 H THR 3 3.045 3.243 -5.801 18 HA THR 3 HA THR 3 3.381 5.345 -3.713 19 HB THR 3 HB THR 3 5.048 4.127 -5.816 20 HG1 THR 3 HG1 THR 3 6.396 4.336 -4.109 21 1HG2 THR 3 1HG2 THR 3 5.058 7.077 -5.168 22 2HG2 THR 3 2HG2 THR 3 6.456 6.132 -5.799 23 3HG2 THR 3 3HG2 THR 3 4.987 6.309 -6.772 24 H TRP 4 H TRP 4 2.133 7.082 -3.742 25 HA TRP 4 HA TRP 4 0.699 7.781 -6.194 26 1HB TRP 4 1HB TRP 4 0.749 8.989 -3.405 27 2HB TRP 4 2HB TRP 4 -0.258 9.490 -4.727 28 HD1 TRP 4 HD1 TRP 4 0.370 6.077 -2.960 29 HE1 TRP 4 HE1 TRP 4 -1.909 4.889 -2.684 30 HE3 TRP 4 HE3 TRP 4 -2.626 9.592 -5.070 31 HZ2 TRP 4 HZ2 TRP 4 -4.680 5.435 -3.250 32 HZ3 TRP 4 HZ3 TRP 4 -5.069 9.301 -5.126 33 HH2 TRP 4 HH2 TRP 4 -6.125 7.223 -4.226 34 H THR 5 H THR 5 1.160 9.518 -7.471 35 HA THR 5 HA THR 5 3.495 11.212 -6.713 36 HB THR 5 HB THR 5 3.164 9.384 -9.014 37 HG1 THR 5 HG1 THR 5 4.745 9.542 -7.262 38 1HG2 THR 5 1HG2 THR 5 4.022 12.275 -9.387 39 2HG2 THR 5 2HG2 THR 5 4.759 10.975 -10.329 40 3HG2 THR 5 3HG2 THR 5 3.009 11.246 -10.448 41 H CYS 6 H CYS 6 3.007 13.202 -6.585 42 HA CYS 6 HA CYS 6 0.590 14.199 -8.042 43 1HB CYS 6 1HB CYS 6 1.795 14.776 -5.418 44 2HB CYS 6 2HB CYS 6 1.373 16.191 -6.331 45 H GLY 7 H GLY 7 2.428 13.754 -9.823 46 1HA GLY 7 1HA GLY 7 4.006 14.632 -11.316 47 2HA GLY 7 2HA GLY 7 2.978 16.050 -11.220 48 H GLY 8 H GLY 8 5.230 14.542 -8.895 49 1HA GLY 8 1HA GLY 8 7.173 16.689 -9.023 50 2HA GLY 8 2HA GLY 8 6.108 16.846 -7.615 51 H LEU 9 H LEU 9 6.024 15.014 -6.090 52 HA LEU 9 HA LEU 9 8.454 13.299 -6.175 53 1HB LEU 9 1HB LEU 9 7.190 14.723 -3.804 54 2HB LEU 9 2HB LEU 9 8.448 13.501 -3.669 55 HG LEU 9 HG LEU 9 8.790 16.117 -5.204 56 1HD1 LEU 9 1HD1 LEU 9 10.040 16.937 -3.316 57 2HD1 LEU 9 2HD1 LEU 9 8.407 16.495 -2.794 58 3HD1 LEU 9 3HD1 LEU 9 9.777 15.421 -2.418 59 1HD2 LEU 9 1HD2 LEU 9 10.387 13.691 -5.096 60 2HD2 LEU 9 2HD2 LEU 9 10.681 15.193 -5.979 61 3HD2 LEU 9 3HD2 LEU 9 11.279 15.002 -4.320 62 H LEU 10 H LEU 10 8.262 11.358 -4.934 63 HA LEU 10 HA LEU 10 5.689 10.060 -5.539 64 1HB LEU 10 1HB LEU 10 8.270 8.968 -4.401 65 2HB LEU 10 2HB LEU 10 6.937 8.020 -4.922 66 HG LEU 10 HG LEU 10 8.009 9.881 -7.015 67 1HD1 LEU 10 1HD1 LEU 10 10.134 9.307 -6.630 68 2HD1 LEU 10 2HD1 LEU 10 9.730 7.896 -5.635 69 3HD1 LEU 10 3HD1 LEU 10 9.709 7.768 -7.400 70 1HD2 LEU 10 1HD2 LEU 10 7.536 6.957 -7.435 71 2HD2 LEU 10 2HD2 LEU 10 6.177 8.096 -7.286 72 3HD2 LEU 10 3HD2 LEU 10 7.361 8.318 -8.550 73 H TYR 11 H TYR 11 4.661 8.701 -3.891 74 HA TYR 11 HA TYR 11 5.143 9.345 -1.043 75 1HB TYR 11 1HB TYR 11 2.607 9.966 -2.615 76 2HB TYR 11 2HB TYR 11 2.750 10.021 -0.870 77 HD1 TYR 11 HD1 TYR 11 2.730 11.989 -3.762 78 HD2 TYR 11 HD2 TYR 11 4.888 11.537 -0.052 79 HE1 TYR 11 HE1 TYR 11 3.556 14.337 -3.941 80 HE2 TYR 11 HE2 TYR 11 5.696 13.858 -0.223 81 HH TYR 11 HH TYR 11 5.580 15.758 -1.363 82 H ASN 12 H ASN 12 5.657 7.107 -0.880 83 HA ASN 12 HA ASN 12 4.026 4.994 -1.802 84 1HB ASN 12 1HB ASN 12 6.383 5.212 -0.227 85 2HB ASN 12 2HB ASN 12 5.213 4.430 0.816 86 1HD2 ASN 12 1HD2 ASN 12 3.842 2.685 -0.370 87 2HD2 ASN 12 2HD2 ASN 12 4.880 1.648 -1.412 88 H GLN 13 H GLN 13 1.865 4.934 -1.460 89 HA GLN 13 HA GLN 13 0.497 6.162 0.479 90 1HB GLN 13 1HB GLN 13 -0.452 4.692 -1.375 91 2HB GLN 13 2HB GLN 13 -0.263 3.323 -0.295 92 1HG GLN 13 1HG GLN 13 -2.591 4.298 -0.348 93 2HG GLN 13 2HG GLN 13 -1.856 4.063 1.241 94 1HE2 GLN 13 1HE2 GLN 13 -1.258 6.640 -1.204 95 2HE2 GLN 13 2HE2 GLN 13 -1.760 7.900 -0.067 96 H ASN 14 H ASN 14 2.106 3.174 0.886 97 HA ASN 14 HA ASN 14 1.256 2.158 3.325 98 1HB ASN 14 1HB ASN 14 3.485 1.703 1.717 99 2HB ASN 14 2HB ASN 14 4.243 2.539 3.056 100 1HD2 ASN 14 1HD2 ASN 14 4.820 -0.133 2.450 101 2HD2 ASN 14 2HD2 ASN 14 4.127 -1.084 3.764 102 H LYS 15 H LYS 15 3.044 5.077 2.755 103 HA LYS 15 HA LYS 15 3.192 5.730 5.607 104 1HB LYS 15 1HB LYS 15 4.992 6.243 3.384 105 2HB LYS 15 2HB LYS 15 4.360 7.769 3.959 106 1HG LYS 15 1HG LYS 15 4.942 6.258 6.354 107 2HG LYS 15 2HG LYS 15 6.239 5.937 5.218 108 1HD LYS 15 1HD LYS 15 6.839 7.832 6.423 109 2HD LYS 15 2HD LYS 15 6.310 8.502 4.859 110 1HE LYS 15 1HE LYS 15 4.110 8.321 6.738 111 2HE LYS 15 2HE LYS 15 5.494 9.089 7.533 112 1HZ LYS 15 1HZ LYS 15 5.547 10.365 5.194 113 2HZ LYS 15 2HZ LYS 15 3.943 10.067 5.276 114 3HZ LYS 15 3HZ LYS 15 4.658 10.897 6.502 115 H ALA 16 H ALA 16 2.131 7.261 2.472 116 HA ALA 16 HA ALA 16 0.895 9.521 3.525 117 1HB ALA 16 1HB ALA 16 0.882 8.132 1.103 118 2HB ALA 16 2HB ALA 16 -0.796 8.177 1.688 119 3HB ALA 16 3HB ALA 16 0.072 9.662 1.468 120 H GLU 17 H GLU 17 -0.309 6.180 3.831 121 HA GLU 17 HA GLU 17 -2.684 7.053 5.293 122 1HB GLU 17 1HB GLU 17 -3.303 4.805 5.292 123 2HB GLU 17 2HB GLU 17 -2.558 5.062 3.715 124 1HG GLU 17 1HG GLU 17 -0.402 4.116 4.704 125 2HG GLU 17 2HG GLU 17 -1.324 3.709 6.124 126 H SER 18 H SER 18 0.396 5.272 6.013 127 HA SER 18 HA SER 18 -0.069 4.853 8.757 128 1HB SER 18 1HB SER 18 1.735 3.764 7.498 129 2HB SER 18 2HB SER 18 2.607 5.327 7.451 130 HG SER 18 HG SER 18 3.394 4.063 9.060 131 H ASN 19 H ASN 19 1.511 7.589 7.161 132 HA ASN 19 HA ASN 19 2.339 9.119 9.333 133 1HB ASN 19 1HB ASN 19 2.483 9.497 6.678 134 2HB ASN 19 2HB ASN 19 1.015 10.367 6.905 135 1HD2 ASN 19 1HD2 ASN 19 3.955 10.134 9.023 136 2HD2 ASN 19 2HD2 ASN 19 4.125 11.804 9.062 137 H SER 20 H SER 20 -0.869 8.542 7.991 138 HA SER 20 HA SER 20 -2.114 10.580 9.677 139 1HB SER 20 1HB SER 20 -4.063 10.188 8.553 140 2HB SER 20 2HB SER 20 -2.868 9.829 7.285 141 HG SER 20 HG SER 20 -3.160 7.655 7.687 142 H HIS 21 H HIS 21 -1.402 7.170 9.748 143 HA HIS 21 HA HIS 21 -3.334 6.294 11.699 144 1HB HIS 21 1HB HIS 21 -0.561 5.215 11.017 145 2HB HIS 21 2HB HIS 21 -1.600 4.496 12.177 146 HD1 HIS 21 HD1 HIS 21 -1.534 2.320 10.568 147 HD2 HIS 21 HD2 HIS 21 -3.426 5.766 9.052 148 HE1 HIS 21 HE1 HIS 21 -2.908 1.556 8.502 149 HE2 HIS 21 HE2 HIS 21 -4.036 3.660 7.580 150 H HIS 22 H HIS 22 -0.025 7.737 12.069 151 HA HIS 22 HA HIS 22 -0.220 7.614 14.929 152 1HB HIS 22 1HB HIS 22 1.774 9.438 13.798 153 2HB HIS 22 2HB HIS 22 1.978 8.063 14.864 154 HD1 HIS 22 HD1 HIS 22 3.401 9.167 11.940 155 HD2 HIS 22 HD2 HIS 22 1.344 5.616 13.005 156 HE1 HIS 22 HE1 HIS 22 4.061 7.379 10.209 157 HE2 HIS 22 HE2 HIS 22 2.783 5.214 10.873 158 H ALA 23 H ALA 23 -0.402 10.153 12.382 159 HA ALA 23 HA ALA 23 -0.623 12.379 13.802 160 1HB ALA 23 1HB ALA 23 -2.747 12.173 11.774 161 2HB ALA 23 2HB ALA 23 -1.329 13.261 11.908 162 3HB ALA 23 3HB ALA 23 -1.167 11.681 11.215 163 HA PRO 24 HA PRO 24 -4.079 11.664 16.496 164 1HB PRO 24 1HB PRO 24 -4.391 14.273 17.462 165 2HB PRO 24 2HB PRO 24 -3.210 13.062 18.069 166 1HG PRO 24 1HG PRO 24 -2.832 15.400 16.350 167 2HG PRO 24 2HG PRO 24 -1.603 14.569 17.371 168 1HD PRO 24 1HD PRO 24 -1.923 14.411 14.562 169 2HD PRO 24 2HD PRO 24 -0.874 13.402 15.569 170 H LEU 25 H LEU 25 -6.101 11.374 15.805 171 HA LEU 25 HA LEU 25 -7.246 12.759 13.655 172 1HB LEU 25 1HB LEU 25 -7.764 10.428 15.164 173 2HB LEU 25 2HB LEU 25 -9.161 11.429 15.440 174 HG LEU 25 HG LEU 25 -9.747 11.478 13.125 175 1HD1 LEU 25 1HD1 LEU 25 -8.302 10.299 11.472 176 2HD1 LEU 25 2HD1 LEU 25 -7.847 11.886 11.959 177 3HD1 LEU 25 3HD1 LEU 25 -6.953 10.549 12.679 178 1HD2 LEU 25 1HD2 LEU 25 -9.079 8.846 14.397 179 2HD2 LEU 25 2HD2 LEU 25 -10.600 9.489 13.750 180 3HD2 LEU 25 3HD2 LEU 25 -9.366 8.833 12.679 181 H SER 26 H SER 26 -7.135 14.910 13.950 182 HA SER 26 HA SER 26 -9.397 16.167 15.160 183 1HB SER 26 1HB SER 26 -7.001 15.735 16.824 184 2HB SER 26 2HB SER 26 -7.344 17.453 16.618 185 HG SER 26 HG SER 26 -9.345 15.597 17.273 186 H ASP 27 H ASP 27 -9.004 18.593 15.164 187 HA ASP 27 HA ASP 27 -7.316 19.357 12.835 188 1HB ASP 27 1HB ASP 27 -9.442 19.619 12.066 189 2HB ASP 27 2HB ASP 27 -10.102 20.031 13.618 190 H GLY 28 H GLY 28 -5.806 20.803 13.242 191 1HA GLY 28 1HA GLY 28 -4.553 22.419 14.371 192 2HA GLY 28 2HA GLY 28 -6.127 23.142 14.764 193 H LYS 29 H LYS 29 -4.384 20.217 15.687 194 HA LYS 29 HA LYS 29 -4.370 21.025 18.543 195 1HB LYS 29 1HB LYS 29 -6.427 19.924 18.403 196 2HB LYS 29 2HB LYS 29 -5.756 18.565 17.498 197 1HG LYS 29 1HG LYS 29 -4.826 17.574 19.366 198 2HG LYS 29 2HG LYS 29 -4.519 19.133 20.163 199 1HD LYS 29 1HD LYS 29 -7.127 19.212 20.377 200 2HD LYS 29 2HD LYS 29 -6.959 17.441 20.188 201 1HE LYS 29 1HE LYS 29 -5.229 17.490 22.030 202 2HE LYS 29 2HE LYS 29 -5.490 19.231 22.205 203 1HZ LYS 29 1HZ LYS 29 -6.845 17.705 23.719 204 2HZ LYS 29 2HZ LYS 29 -7.678 18.890 22.913 205 3HZ LYS 29 3HZ LYS 29 -7.736 17.346 22.371 206 H THR 30 H THR 30 -2.319 20.831 16.529 207 HA THR 30 HA THR 30 -0.548 18.816 17.844 208 HB THR 30 HB THR 30 0.326 18.356 15.522 209 HG1 THR 30 HG1 THR 30 -2.076 19.565 14.750 210 1HG2 THR 30 1HG2 THR 30 -2.510 17.694 15.112 211 2HG2 THR 30 2HG2 THR 30 -1.089 16.643 15.302 212 3HG2 THR 30 3HG2 THR 30 -1.932 17.261 16.713 213 H GLY 31 H GLY 31 1.497 19.435 18.075 214 1HA GLY 31 1HA GLY 31 2.211 21.975 18.686 215 2HA GLY 31 2HA GLY 31 3.372 20.794 18.053 216 H SER 32 H SER 32 3.285 20.536 15.622 217 HA SER 32 HA SER 32 3.998 23.022 14.360 218 1HB SER 32 1HB SER 32 4.837 20.967 13.419 219 2HB SER 32 2HB SER 32 3.185 20.331 13.199 220 HG SER 32 HG SER 32 4.413 21.313 11.346 221 H SER 33 H SER 33 1.058 21.036 13.872 222 HA SER 33 HA SER 33 -0.944 22.792 14.048 223 1HB SER 33 1HB SER 33 -1.310 23.523 11.577 224 2HB SER 33 2HB SER 33 -0.141 24.447 12.533 225 HG SER 33 HG SER 33 0.506 23.663 10.319 226 H TYR 34 H TYR 34 0.401 20.738 11.552 227 HA TYR 34 HA TYR 34 -2.085 19.583 10.808 228 1HB TYR 34 1HB TYR 34 0.743 18.580 10.291 229 2HB TYR 34 2HB TYR 34 -0.703 18.097 9.431 230 HD1 TYR 34 HD1 TYR 34 1.695 20.841 9.978 231 HD2 TYR 34 HD2 TYR 34 -1.751 19.492 7.746 232 HE1 TYR 34 HE1 TYR 34 2.012 22.736 8.373 233 HE2 TYR 34 HE2 TYR 34 -1.365 21.398 6.183 234 HH TYR 34 HH TYR 34 1.294 23.094 5.829 235 HA PRO 35 HA PRO 35 -2.722 17.618 9.919 236 1HB PRO 35 1HB PRO 35 -4.903 16.041 10.500 237 2HB PRO 35 2HB PRO 35 -3.383 15.446 9.821 238 1HG PRO 35 1HG PRO 35 -4.386 15.171 12.570 239 2HG PRO 35 2HG PRO 35 -3.187 14.232 11.676 240 1HD PRO 35 1HD PRO 35 -2.744 16.229 13.652 241 2HD PRO 35 2HD PRO 35 -1.480 15.401 12.736 242 H HIS 36 H HIS 36 -4.731 18.463 9.298 243 HA HIS 36 HA HIS 36 -6.183 19.924 11.393 244 1HB HIS 36 1HB HIS 36 -6.041 22.058 10.153 245 2HB HIS 36 2HB HIS 36 -4.556 21.533 10.947 246 HD1 HIS 36 HD1 HIS 36 -3.629 23.430 9.151 247 HD2 HIS 36 HD2 HIS 36 -4.880 19.677 7.738 248 HE1 HIS 36 HE1 HIS 36 -2.665 23.190 6.745 249 HE2 HIS 36 HE2 HIS 36 -3.555 20.839 5.936 250 H TRP 37 H TRP 37 -8.249 20.670 10.702 251 HA TRP 37 HA TRP 37 -9.628 18.833 9.037 252 1HB TRP 37 1HB TRP 37 -10.871 20.082 10.581 253 2HB TRP 37 2HB TRP 37 -10.271 21.605 9.995 254 HD1 TRP 37 HD1 TRP 37 -12.307 18.673 8.461 255 HE1 TRP 37 HE1 TRP 37 -14.219 19.684 7.031 256 HE3 TRP 37 HE3 TRP 37 -11.278 23.539 9.262 257 HZ2 TRP 37 HZ2 TRP 37 -15.173 22.281 6.377 258 HZ3 TRP 37 HZ3 TRP 37 -12.721 25.325 8.233 259 HH2 TRP 37 HH2 TRP 37 -14.565 24.673 6.734 260 H PHE 38 H PHE 38 -9.709 18.613 6.975 261 HA PHE 38 HA PHE 38 -8.546 20.545 5.098 262 1HB PHE 38 1HB PHE 38 -7.705 18.266 4.948 263 2HB PHE 38 2HB PHE 38 -9.288 17.593 4.991 264 HD1 PHE 38 HD1 PHE 38 -7.361 20.142 2.933 265 HD2 PHE 38 HD2 PHE 38 -10.214 16.952 3.006 266 HE1 PHE 38 HE1 PHE 38 -7.483 20.205 0.482 267 HE2 PHE 38 HE2 PHE 38 -10.252 16.910 0.555 268 HZ PHE 38 HZ PHE 38 -8.874 18.512 -0.748 269 H THR 39 H THR 39 -10.320 21.933 5.409 270 HA THR 39 HA THR 39 -12.989 21.635 4.979 271 HB THR 39 HB THR 39 -12.942 23.784 3.817 272 HG1 THR 39 HG1 THR 39 -10.946 24.633 3.152 273 1HG2 THR 39 1HG2 THR 39 -12.294 24.858 5.659 274 2HG2 THR 39 2HG2 THR 39 -11.560 23.351 6.237 275 3HG2 THR 39 3HG2 THR 39 -10.579 24.512 5.386 276 H ASN 40 H ASN 40 -10.518 21.250 2.495 277 HA ASN 40 HA ASN 40 -10.552 20.219 0.453 278 1HB ASN 40 1HB ASN 40 -11.889 18.421 1.714 279 2HB ASN 40 2HB ASN 40 -13.324 19.192 1.173 280 1HD2 ASN 40 1HD2 ASN 40 -14.177 17.711 -0.112 281 2HD2 ASN 40 2HD2 ASN 40 -13.378 17.140 -1.584 282 H GLY 41 H GLY 41 -12.120 22.751 1.253 283 1HA GLY 41 1HA GLY 41 -12.511 24.465 -0.535 284 2HA GLY 41 2HA GLY 41 -13.428 23.206 -1.347 285 H TYR 42 H TYR 42 -14.396 22.350 1.551 286 HA TYR 42 HA TYR 42 -16.915 23.719 1.463 287 1HB TYR 42 1HB TYR 42 -15.524 21.918 3.486 288 2HB TYR 42 2HB TYR 42 -17.088 22.548 3.769 289 HD1 TYR 42 HD1 TYR 42 -18.818 21.191 3.333 290 HD2 TYR 42 HD2 TYR 42 -15.330 20.724 0.855 291 HE1 TYR 42 HE1 TYR 42 -19.946 19.391 2.043 292 HE2 TYR 42 HE2 TYR 42 -16.445 18.854 -0.346 293 HH TYR 42 HH TYR 42 -18.538 17.140 0.187 294 H ASP 43 H ASP 43 -17.864 24.922 3.230 295 HA ASP 43 HA ASP 43 -16.053 27.074 4.118 296 1HB ASP 43 1HB ASP 43 -18.943 26.650 3.773 297 2HB ASP 43 2HB ASP 43 -18.588 27.357 5.341 298 H GLY 44 H GLY 44 -18.016 24.500 5.537 299 1HA GLY 44 1HA GLY 44 -16.325 24.121 7.847 300 2HA GLY 44 2HA GLY 44 -17.738 25.056 8.271 301 H ASP 45 H ASP 45 -19.826 24.041 7.368 302 HA ASP 45 HA ASP 45 -19.789 21.093 7.835 303 1HB ASP 45 1HB ASP 45 -21.389 23.286 8.992 304 2HB ASP 45 2HB ASP 45 -22.396 22.088 8.231 305 H GLY 46 H GLY 46 -21.848 23.631 6.389 306 1HA GLY 46 1HA GLY 46 -23.213 21.946 4.554 307 2HA GLY 46 2HA GLY 46 -23.046 23.719 4.412 308 H LYS 47 H LYS 47 -23.066 22.136 2.205 309 HA LYS 47 HA LYS 47 -20.529 21.292 1.228 310 1HB LYS 47 1HB LYS 47 -22.927 22.264 -0.313 311 2HB LYS 47 2HB LYS 47 -21.564 21.369 -1.004 312 1HG LYS 47 1HG LYS 47 -22.089 19.360 0.073 313 2HG LYS 47 2HG LYS 47 -23.074 20.113 1.313 314 1HD LYS 47 1HD LYS 47 -24.115 20.646 -1.398 315 2HD LYS 47 2HD LYS 47 -24.032 18.923 -1.010 316 1HE LYS 47 1HE LYS 47 -25.400 19.154 0.922 317 2HE LYS 47 2HE LYS 47 -25.221 20.912 0.965 318 1HZ LYS 47 1HZ LYS 47 -26.648 21.173 -0.814 319 2HZ LYS 47 2HZ LYS 47 -26.448 19.644 -1.382 320 3HZ LYS 47 3HZ LYS 47 -27.372 19.914 -0.042 321 H LEU 48 H LEU 48 -19.592 22.319 -0.825 322 HA LEU 48 HA LEU 48 -18.289 24.650 0.079 323 1HB LEU 48 1HB LEU 48 -18.566 23.575 -2.768 324 2HB LEU 48 2HB LEU 48 -17.456 24.827 -2.243 325 HG LEU 48 HG LEU 48 -16.607 23.092 -0.526 326 1HD1 LEU 48 1HD1 LEU 48 -18.044 21.340 -0.653 327 2HD1 LEU 48 2HD1 LEU 48 -18.150 21.386 -2.420 328 3HD1 LEU 48 3HD1 LEU 48 -16.669 20.820 -1.588 329 1HD2 LEU 48 1HD2 LEU 48 -16.016 23.070 -3.485 330 2HD2 LEU 48 2HD2 LEU 48 -15.213 23.897 -2.151 331 3HD2 LEU 48 3HD2 LEU 48 -15.043 22.172 -2.294 332 HA PRO 49 HA PRO 49 -21.023 27.876 -0.925 333 1HB PRO 49 1HB PRO 49 -19.253 29.953 -1.554 334 2HB PRO 49 2HB PRO 49 -19.692 29.405 0.092 335 1HG PRO 49 1HG PRO 49 -17.161 28.961 -1.398 336 2HG PRO 49 2HG PRO 49 -17.477 28.892 0.362 337 1HD PRO 49 1HD PRO 49 -17.231 26.715 -1.448 338 2HD PRO 49 2HD PRO 49 -17.659 26.642 0.267 339 H LYS 50 H LYS 50 -21.830 29.220 -2.633 340 HA LYS 50 HA LYS 50 -21.776 28.019 -5.209 341 1HB LYS 50 1HB LYS 50 -23.705 29.115 -4.849 342 2HB LYS 50 2HB LYS 50 -22.962 30.498 -4.056 343 1HG LYS 50 1HG LYS 50 -22.331 31.528 -6.099 344 2HG LYS 50 2HG LYS 50 -22.471 30.002 -7.003 345 1HD LYS 50 1HD LYS 50 -24.978 30.156 -6.429 346 2HD LYS 50 2HD LYS 50 -24.635 31.852 -5.998 347 1HE LYS 50 1HE LYS 50 -24.164 32.465 -8.183 348 2HE LYS 50 2HE LYS 50 -23.504 30.883 -8.605 349 1HZ LYS 50 1HZ LYS 50 -26.258 30.678 -7.983 350 2HZ LYS 50 2HZ LYS 50 -26.036 31.767 -9.196 351 3HZ LYS 50 3HZ LYS 50 -25.480 30.222 -9.356 352 H GLY 51 H GLY 51 -19.719 27.780 -5.878 353 1HA GLY 51 1HA GLY 51 -18.397 28.953 -7.823 354 2HA GLY 51 2HA GLY 51 -18.180 30.240 -6.627 355 H ARG 52 H ARG 52 -17.847 26.656 -6.740 356 HA ARG 52 HA ARG 52 -15.044 26.802 -6.249 357 1HB ARG 52 1HB ARG 52 -16.107 27.276 -3.922 358 2HB ARG 52 2HB ARG 52 -16.693 25.618 -3.997 359 1HG ARG 52 1HG ARG 52 -14.475 24.732 -3.938 360 2HG ARG 52 2HG ARG 52 -13.742 26.205 -4.513 361 1HD ARG 52 1HD ARG 52 -15.227 26.351 -1.914 362 2HD ARG 52 2HD ARG 52 -13.671 25.505 -1.962 363 HE ARG 52 HE ARG 52 -13.316 27.951 -3.263 364 1HH1 ARG 52 2HH2 ARG 52 -14.087 26.850 -0.022 365 2HH1 ARG 52 1HH2 ARG 52 -13.337 28.200 0.750 366 1HH2 ARG 52 2HH1 ARG 52 -12.362 29.677 -2.253 367 2HH2 ARG 52 1HH1 ARG 52 -12.356 29.796 -0.522 368 H THR 53 H THR 53 -14.093 24.618 -6.081 369 HA THR 53 HA THR 53 -15.875 22.439 -6.973 370 HB THR 53 HB THR 53 -13.677 23.643 -8.573 371 HG1 THR 53 HG1 THR 53 -16.008 23.961 -8.818 372 1HG2 THR 53 1HG2 THR 53 -12.831 21.576 -9.003 373 2HG2 THR 53 2HG2 THR 53 -14.196 20.718 -8.254 374 3HG2 THR 53 3HG2 THR 53 -14.339 21.308 -9.907 375 HA PRO 54 HA PRO 54 -13.146 20.709 -3.827 376 1HB PRO 54 1HB PRO 54 -14.738 18.462 -3.321 377 2HB PRO 54 2HB PRO 54 -14.901 20.039 -2.550 378 1HG PRO 54 1HG PRO 54 -16.589 18.776 -4.673 379 2HG PRO 54 2HG PRO 54 -17.029 20.045 -3.561 380 1HD PRO 54 1HD PRO 54 -16.310 20.353 -6.265 381 2HD PRO 54 2HD PRO 54 -16.606 21.649 -5.084 382 H ILE 55 H ILE 55 -12.406 18.316 -3.500 383 HA ILE 55 HA ILE 55 -11.434 17.458 -6.177 384 HB ILE 55 HB ILE 55 -10.378 16.631 -3.465 385 1HG1 ILE 55 1HG1 ILE 55 -9.714 19.044 -5.217 386 2HG1 ILE 55 2HG1 ILE 55 -10.154 19.007 -3.502 387 1HG2 ILE 55 1HG2 ILE 55 -9.267 16.556 -6.314 388 2HG2 ILE 55 2HG2 ILE 55 -8.403 16.061 -4.858 389 3HG2 ILE 55 3HG2 ILE 55 -9.830 15.157 -5.346 390 1HD1 ILE 55 1HD1 ILE 55 -7.547 18.059 -4.708 391 2HD1 ILE 55 2HD1 ILE 55 -7.808 19.408 -3.589 392 3HD1 ILE 55 3HD1 ILE 55 -8.104 17.751 -3.037 393 H LYS 56 H LYS 56 -12.268 15.721 -7.095 394 HA LYS 56 HA LYS 56 -14.165 14.051 -5.557 395 1HB LYS 56 1HB LYS 56 -15.023 14.506 -7.633 396 2HB LYS 56 2HB LYS 56 -13.482 14.403 -8.468 397 1HG LYS 56 1HG LYS 56 -14.761 11.935 -7.209 398 2HG LYS 56 2HG LYS 56 -15.227 12.509 -8.805 399 1HD LYS 56 1HD LYS 56 -12.465 12.538 -9.050 400 2HD LYS 56 2HD LYS 56 -12.673 11.183 -7.947 401 1HE LYS 56 1HE LYS 56 -14.417 11.369 -10.382 402 2HE LYS 56 2HE LYS 56 -12.716 10.899 -10.575 403 1HZ LYS 56 1HZ LYS 56 -13.025 9.063 -9.140 404 2HZ LYS 56 2HZ LYS 56 -14.492 9.584 -8.613 405 3HZ LYS 56 3HZ LYS 56 -14.322 9.011 -10.151 406 H PHE 57 H PHE 57 -13.700 12.234 -4.682 407 HA PHE 57 HA PHE 57 -11.085 10.849 -5.249 408 1HB PHE 57 1HB PHE 57 -12.836 10.538 -2.797 409 2HB PHE 57 2HB PHE 57 -11.132 10.139 -2.991 410 HD1 PHE 57 HD1 PHE 57 -13.608 12.851 -2.387 411 HD2 PHE 57 HD2 PHE 57 -9.456 11.906 -2.919 412 HE1 PHE 57 HE1 PHE 57 -13.004 15.024 -1.418 413 HE2 PHE 57 HE2 PHE 57 -8.856 14.176 -1.895 414 HZ PHE 57 HZ PHE 57 -10.617 15.705 -1.250 415 H GLY 58 H GLY 58 -14.555 10.442 -5.003 416 1HA GLY 58 1HA GLY 58 -15.725 8.729 -6.311 417 2HA GLY 58 2HA GLY 58 -14.335 7.648 -6.063 418 H LYS 59 H LYS 59 -14.674 9.164 -3.165 419 HA LYS 59 HA LYS 59 -16.365 6.964 -2.074 420 1HB LYS 59 1HB LYS 59 -14.097 8.667 -0.966 421 2HB LYS 59 2HB LYS 59 -15.243 7.923 0.126 422 1HG LYS 59 1HG LYS 59 -14.154 6.111 -2.030 423 2HG LYS 59 2HG LYS 59 -12.973 6.685 -0.871 424 1HD LYS 59 1HD LYS 59 -13.637 4.970 0.440 425 2HD LYS 59 2HD LYS 59 -15.046 5.943 0.824 426 1HE LYS 59 1HE LYS 59 -15.986 4.848 -1.454 427 2HE LYS 59 2HE LYS 59 -14.759 3.633 -1.086 428 1HZ LYS 59 1HZ LYS 59 -15.975 3.974 1.304 429 2HZ LYS 59 2HZ LYS 59 -17.250 4.181 0.303 430 3HZ LYS 59 3HZ LYS 59 -16.382 2.787 0.241 431 H SER 60 H SER 60 -18.263 7.303 -1.351 432 HA SER 60 HA SER 60 -19.482 9.881 -1.551 433 1HB SER 60 1HB SER 60 -20.312 7.152 -0.950 434 2HB SER 60 2HB SER 60 -21.069 8.269 0.187 435 HG SER 60 HG SER 60 -22.204 9.107 -1.415 436 H ASP 61 H ASP 61 -17.444 8.578 0.807 437 HA ASP 61 HA ASP 61 -18.509 10.054 3.124 438 1HB ASP 61 1HB ASP 61 -16.251 8.100 2.608 439 2HB ASP 61 2HB ASP 61 -16.129 9.198 3.982 440 H CYS 62 H CYS 62 -15.716 10.097 0.893 441 HA CYS 62 HA CYS 62 -14.611 12.487 2.125 442 1HB CYS 62 1HB CYS 62 -13.411 10.516 0.846 443 2HB CYS 62 2HB CYS 62 -13.857 11.418 -0.604 444 H ASP 63 H ASP 63 -17.089 11.808 -0.091 445 HA ASP 63 HA ASP 63 -17.029 14.456 -1.421 446 1HB ASP 63 1HB ASP 63 -17.588 12.457 -2.760 447 2HB ASP 63 2HB ASP 63 -18.874 12.040 -1.613 448 H ARG 64 H ARG 64 -18.834 12.559 1.026 449 HA ARG 64 HA ARG 64 -21.023 14.194 1.267 450 1HB ARG 64 1HB ARG 64 -21.501 12.797 2.891 451 2HB ARG 64 2HB ARG 64 -19.936 12.035 2.628 452 1HG ARG 64 1HG ARG 64 -18.879 13.469 4.326 453 2HG ARG 64 2HG ARG 64 -20.468 14.122 4.712 454 1HD ARG 64 1HD ARG 64 -19.381 12.124 6.037 455 2HD ARG 64 2HD ARG 64 -21.124 12.460 5.928 456 HE ARG 64 HE ARG 64 -19.621 10.270 4.682 457 1HH1 ARG 64 2HH2 ARG 64 -22.609 12.038 4.735 458 2HH1 ARG 64 1HH2 ARG 64 -23.528 10.810 3.917 459 1HH2 ARG 64 2HH1 ARG 64 -20.782 8.722 3.608 460 2HH2 ARG 64 1HH1 ARG 64 -22.471 8.942 3.258 461 HA PRO 65 HA PRO 65 -19.715 17.797 3.227 462 1HB PRO 65 1HB PRO 65 -21.782 18.416 4.999 463 2HB PRO 65 2HB PRO 65 -21.769 18.723 3.233 464 1HG PRO 65 1HG PRO 65 -23.218 16.615 4.746 465 2HG PRO 65 2HG PRO 65 -23.549 17.282 3.112 466 1HD PRO 65 1HD PRO 65 -22.251 14.840 3.792 467 2HD PRO 65 2HD PRO 65 -22.486 15.510 2.161 468 HA PRO 66 HA PRO 66 -17.668 16.466 6.948 469 1HB PRO 66 1HB PRO 66 -16.220 18.816 7.385 470 2HB PRO 66 2HB PRO 66 -15.744 17.541 6.199 471 1HG PRO 66 1HG PRO 66 -16.773 20.217 5.620 472 2HG PRO 66 2HG PRO 66 -15.868 19.055 4.599 473 1HD PRO 66 1HD PRO 66 -18.696 19.520 4.666 474 2HD PRO 66 2HD PRO 66 -17.765 18.331 3.675 475 H LYS 67 H LYS 67 -17.361 17.251 9.193 476 HA LYS 67 HA LYS 67 -19.512 19.145 10.061 477 1HB LYS 67 1HB LYS 67 -20.372 16.893 10.326 478 2HB LYS 67 2HB LYS 67 -18.939 16.404 11.218 479 1HG LYS 67 1HG LYS 67 -19.977 17.036 13.128 480 2HG LYS 67 2HG LYS 67 -19.863 18.716 12.599 481 1HD LYS 67 1HD LYS 67 -21.999 18.426 11.333 482 2HD LYS 67 2HD LYS 67 -22.171 16.835 12.095 483 1HE LYS 67 1HE LYS 67 -22.035 17.934 14.328 484 2HE LYS 67 2HE LYS 67 -21.868 19.518 13.540 485 1HZ LYS 67 1HZ LYS 67 -24.170 17.834 12.860 486 2HZ LYS 67 2HZ LYS 67 -24.216 18.732 14.250 487 3HZ LYS 67 3HZ LYS 67 -24.010 19.465 12.784 488 H HIS 68 H HIS 68 -17.577 20.533 9.862 489 HA HIS 68 HA HIS 68 -15.560 20.137 12.030 490 1HB HIS 68 1HB HIS 68 -14.817 20.971 9.856 491 2HB HIS 68 2HB HIS 68 -15.948 22.286 9.902 492 HD1 HIS 68 HD1 HIS 68 -15.052 24.478 10.813 493 HD2 HIS 68 HD2 HIS 68 -12.859 21.115 12.032 494 HE1 HIS 68 HE1 HIS 68 -13.003 25.351 12.183 495 HE2 HIS 68 HE2 HIS 68 -11.677 23.185 12.864 496 H SER 69 H SER 69 -15.111 22.039 13.466 497 HA SER 69 HA SER 69 -17.524 23.597 14.179 498 1HB SER 69 1HB SER 69 -17.796 22.761 16.272 499 2HB SER 69 2HB SER 69 -17.192 21.287 15.501 500 HG SER 69 HG SER 69 -15.138 21.761 16.299 501 H LYS 70 H LYS 70 -16.849 25.057 16.183 502 HA LYS 70 HA LYS 70 -14.375 26.469 15.306 503 1HB LYS 70 1HB LYS 70 -16.979 27.269 16.292 504 2HB LYS 70 2HB LYS 70 -15.757 27.925 17.359 505 1HG LYS 70 1HG LYS 70 -14.619 29.070 15.621 506 2HG LYS 70 2HG LYS 70 -15.436 28.136 14.352 507 1HD LYS 70 1HD LYS 70 -16.616 30.132 14.268 508 2HD LYS 70 2HD LYS 70 -17.643 29.121 15.296 509 1HE LYS 70 1HE LYS 70 -16.344 30.136 17.298 510 2HE LYS 70 2HE LYS 70 -15.706 31.318 16.148 511 1HZ LYS 70 1HZ LYS 70 -18.571 30.959 16.038 512 2HZ LYS 70 2HZ LYS 70 -18.046 31.572 17.469 513 3HZ LYS 70 3HZ LYS 70 -17.705 32.360 16.060 514 H ASP 71 H ASP 71 -13.171 24.619 16.073 515 HA ASP 71 HA ASP 71 -11.821 25.241 18.477 516 1HB ASP 71 1HB ASP 71 -14.202 23.531 18.827 517 2HB ASP 71 2HB ASP 71 -12.761 22.652 19.264 518 H GLY 72 H GLY 72 -12.841 22.591 16.383 519 1HA GLY 72 1HA GLY 72 -10.476 22.055 15.101 520 2HA GLY 72 2HA GLY 72 -10.334 21.151 16.604 521 H ASN 73 H ASN 73 -11.937 19.606 17.133 522 HA ASN 73 HA ASN 73 -13.071 18.274 14.751 523 1HB ASN 73 1HB ASN 73 -13.319 16.435 16.652 524 2HB ASN 73 2HB ASN 73 -11.780 16.686 15.913 525 1HD2 ASN 73 1HD2 ASN 73 -13.288 16.074 18.686 526 2HD2 ASN 73 2HD2 ASN 73 -12.167 16.903 19.793 527 H GLY 74 H GLY 74 -14.363 17.641 17.825 528 1HA GLY 74 1HA GLY 74 -16.322 18.986 18.759 529 2HA GLY 74 2HA GLY 74 -16.982 18.828 17.105 530 H LYS 75 H LYS 75 -18.708 17.781 18.248 531 HA LYS 75 HA LYS 75 -18.712 15.444 19.748 532 1HB LYS 75 1HB LYS 75 -20.635 16.651 17.742 533 2HB LYS 75 2HB LYS 75 -20.912 14.979 18.176 534 1HG LYS 75 1HG LYS 75 -20.449 16.232 20.665 535 2HG LYS 75 2HG LYS 75 -21.424 17.388 19.744 536 1HD LYS 75 1HD LYS 75 -23.058 15.570 19.248 537 2HD LYS 75 2HD LYS 75 -22.058 14.422 20.154 538 1HE LYS 75 1HE LYS 75 -22.948 15.037 22.109 539 2HE LYS 75 2HE LYS 75 -22.480 16.719 21.839 540 1HZ LYS 75 1HZ LYS 75 -24.527 17.067 20.624 541 2HZ LYS 75 2HZ LYS 75 -24.940 15.474 20.737 542 3HZ LYS 75 3HZ LYS 75 -24.909 16.415 22.085 543 H THR 76 H THR 76 -19.576 14.984 16.391 544 HA THR 76 HA THR 76 -17.674 12.688 16.345 545 HB THR 76 HB THR 76 -20.368 12.387 16.348 546 HG1 THR 76 HG1 THR 76 -18.331 10.999 15.022 547 1HG2 THR 76 1HG2 THR 76 -21.401 12.129 14.282 548 2HG2 THR 76 2HG2 THR 76 -20.345 13.502 13.884 549 3HG2 THR 76 3HG2 THR 76 -19.879 11.851 13.443 550 H ASP 77 H ASP 77 -17.210 15.469 15.497 551 HA ASP 77 HA ASP 77 -17.474 16.364 13.014 552 1HB ASP 77 1HB ASP 77 -15.250 17.220 13.154 553 2HB ASP 77 2HB ASP 77 -16.030 17.257 14.741 554 H HIS 78 H HIS 78 -17.955 14.845 11.435 555 HA HIS 78 HA HIS 78 -15.880 12.761 10.888 556 1HB HIS 78 1HB HIS 78 -17.512 11.647 9.589 557 2HB HIS 78 2HB HIS 78 -18.170 12.006 11.180 558 HD1 HIS 78 HD1 HIS 78 -18.275 12.972 7.571 559 HD2 HIS 78 HD2 HIS 78 -20.268 13.762 11.173 560 HE1 HIS 78 HE1 HIS 78 -20.524 14.213 6.940 561 HE2 HIS 78 HE2 HIS 78 -21.703 14.695 9.129 562 H TYR 79 H TYR 79 -15.504 15.550 10.392 563 HA TYR 79 HA TYR 79 -15.648 16.174 7.615 564 1HB TYR 79 1HB TYR 79 -14.303 18.019 8.310 565 2HB TYR 79 2HB TYR 79 -15.566 17.862 9.484 566 HD1 TYR 79 HD1 TYR 79 -13.376 15.208 10.343 567 HD2 TYR 79 HD2 TYR 79 -13.548 19.501 10.530 568 HE1 TYR 79 HE1 TYR 79 -11.879 15.167 12.176 569 HE2 TYR 79 HE2 TYR 79 -11.830 19.397 12.318 570 HH TYR 79 HH TYR 79 -10.266 18.035 13.278 571 H LEU 80 H LEU 80 -13.405 16.996 6.719 572 HA LEU 80 HA LEU 80 -11.752 14.530 6.589 573 1HB LEU 80 1HB LEU 80 -12.068 16.858 4.686 574 2HB LEU 80 2HB LEU 80 -10.873 15.573 4.499 575 HG LEU 80 HG LEU 80 -13.595 14.485 4.929 576 1HD1 LEU 80 1HD1 LEU 80 -13.121 16.462 2.688 577 2HD1 LEU 80 2HD1 LEU 80 -14.174 15.060 2.456 578 3HD1 LEU 80 3HD1 LEU 80 -14.555 16.231 3.731 579 1HD2 LEU 80 1HD2 LEU 80 -12.972 13.175 3.102 580 2HD2 LEU 80 2HD2 LEU 80 -11.563 14.194 2.726 581 3HD2 LEU 80 3HD2 LEU 80 -11.625 13.247 4.210 582 H LEU 81 H LEU 81 -9.450 14.731 6.669 583 HA LEU 81 HA LEU 81 -8.392 17.335 7.598 584 1HB LEU 81 1HB LEU 81 -7.804 14.789 9.104 585 2HB LEU 81 2HB LEU 81 -7.238 16.378 9.433 586 HG LEU 81 HG LEU 81 -10.028 16.718 9.516 587 1HD1 LEU 81 1HD1 LEU 81 -10.026 14.402 11.230 588 2HD1 LEU 81 2HD1 LEU 81 -11.106 14.836 9.884 589 3HD1 LEU 81 3HD1 LEU 81 -9.718 13.944 9.545 590 1HD2 LEU 81 1HD2 LEU 81 -9.114 16.141 12.097 591 2HD2 LEU 81 2HD2 LEU 81 -7.867 17.044 11.239 592 3HD2 LEU 81 3HD2 LEU 81 -9.474 17.677 11.270 593 H GLU 82 H GLU 82 -6.570 17.842 6.574 594 HA GLU 82 HA GLU 82 -5.337 15.699 4.992 595 1HB GLU 82 1HB GLU 82 -4.304 17.354 3.687 596 2HB GLU 82 2HB GLU 82 -5.958 17.833 3.874 597 1HG GLU 82 1HG GLU 82 -4.047 18.957 5.849 598 2HG GLU 82 2HG GLU 82 -3.825 19.451 4.224 599 H PHE 83 H PHE 83 -3.115 15.259 5.052 600 HA PHE 83 HA PHE 83 -1.624 16.458 7.326 601 1HB PHE 83 1HB PHE 83 -2.798 14.159 7.765 602 2HB PHE 83 2HB PHE 83 -1.489 13.544 6.751 603 HD1 PHE 83 HD1 PHE 83 -0.002 12.358 7.965 604 HD2 PHE 83 HD2 PHE 83 -1.419 16.126 9.388 605 HE1 PHE 83 HE1 PHE 83 1.609 12.284 9.950 606 HE2 PHE 83 HE2 PHE 83 0.161 15.978 11.349 607 HZ PHE 83 HZ PHE 83 1.518 14.013 11.598 608 HA PRO 84 HA PRO 84 1.565 16.590 4.245 609 1HB PRO 84 1HB PRO 84 3.682 17.406 5.832 610 2HB PRO 84 2HB PRO 84 2.426 18.477 5.152 611 1HG PRO 84 1HG PRO 84 2.738 17.505 7.930 612 2HG PRO 84 2HG PRO 84 1.877 18.950 7.328 613 1HD PRO 84 1HD PRO 84 0.824 16.446 8.143 614 2HD PRO 84 2HD PRO 84 -0.077 17.792 7.379 615 H THR 85 H THR 85 1.843 14.625 3.517 616 HA THR 85 HA THR 85 3.392 12.697 5.131 617 HB THR 85 HB THR 85 1.464 11.655 4.384 618 HG1 THR 85 HG1 THR 85 2.631 10.080 3.662 619 1HG2 THR 85 1HG2 THR 85 0.866 11.643 1.870 620 2HG2 THR 85 2HG2 THR 85 0.470 13.095 2.794 621 3HG2 THR 85 3HG2 THR 85 1.881 13.079 1.729 622 H PHE 86 H PHE 86 5.493 13.002 4.951 623 HA PHE 86 HA PHE 86 6.674 13.920 2.478 624 1HB PHE 86 1HB PHE 86 7.857 12.895 5.103 625 2HB PHE 86 2HB PHE 86 8.807 13.606 3.798 626 HD1 PHE 86 HD1 PHE 86 6.028 14.343 6.232 627 HD2 PHE 86 HD2 PHE 86 9.036 15.973 3.572 628 HE1 PHE 86 HE1 PHE 86 5.556 16.631 7.053 629 HE2 PHE 86 HE2 PHE 86 8.604 18.232 4.513 630 HZ PHE 86 HZ PHE 86 6.861 18.494 6.293 631 HA PRO 87 HA PRO 87 7.616 9.948 0.778 632 1HB PRO 87 1HB PRO 87 9.878 10.592 -0.733 633 2HB PRO 87 2HB PRO 87 8.205 10.851 -1.186 634 1HG PRO 87 1HG PRO 87 10.203 12.853 -0.342 635 2HG PRO 87 2HG PRO 87 8.677 13.090 -1.250 636 1HD PRO 87 1HD PRO 87 9.168 13.572 1.534 637 2HD PRO 87 2HD PRO 87 7.636 13.736 0.646 638 H ASP 88 H ASP 88 10.431 11.789 2.051 639 HA ASP 88 HA ASP 88 12.406 9.977 2.399 640 1HB ASP 88 1HB ASP 88 11.301 12.155 4.148 641 2HB ASP 88 2HB ASP 88 12.389 11.024 4.931 642 H GLY 89 H GLY 89 9.357 9.983 4.058 643 1HA GLY 89 1HA GLY 89 8.310 8.070 4.878 644 2HA GLY 89 2HA GLY 89 9.843 7.247 5.077 645 H HIS 90 H HIS 90 10.429 10.227 6.188 646 HA HIS 90 HA HIS 90 10.369 9.393 8.964 647 1HB HIS 90 1HB HIS 90 11.660 11.286 9.453 648 2HB HIS 90 2HB HIS 90 12.187 10.760 7.874 649 HD1 HIS 90 HD1 HIS 90 12.731 12.826 6.424 650 HD2 HIS 90 HD2 HIS 90 9.440 13.367 9.020 651 HE1 HIS 90 HE1 HIS 90 11.833 15.182 5.981 652 HE2 HIS 90 HE2 HIS 90 9.784 15.482 7.485 653 H ASP 91 H ASP 91 9.003 9.965 10.543 654 HA ASP 91 HA ASP 91 6.416 11.073 9.782 655 1HB ASP 91 1HB ASP 91 7.007 9.221 11.571 656 2HB ASP 91 2HB ASP 91 7.344 10.580 12.637 657 H TYR 92 H TYR 92 6.525 13.210 9.283 658 HA TYR 92 HA TYR 92 8.142 15.195 10.066 659 1HB TYR 92 1HB TYR 92 6.183 15.333 8.585 660 2HB TYR 92 2HB TYR 92 5.103 15.288 9.933 661 HD1 TYR 92 HD1 TYR 92 8.298 17.306 9.846 662 HD2 TYR 92 HD2 TYR 92 3.970 17.339 9.647 663 HE1 TYR 92 HE1 TYR 92 8.256 19.773 10.130 664 HE2 TYR 92 HE2 TYR 92 4.010 19.841 9.777 665 HH TYR 92 HH TYR 92 5.888 21.688 9.184 666 H LYS 93 H LYS 93 8.380 16.694 11.779 667 HA LYS 93 HA LYS 93 7.531 15.689 14.378 668 1HB LYS 93 1HB LYS 93 8.867 17.682 15.181 669 2HB LYS 93 2HB LYS 93 9.740 16.379 14.351 670 1HG LYS 93 1HG LYS 93 10.030 17.620 12.365 671 2HG LYS 93 2HG LYS 93 8.751 18.776 12.762 672 1HD LYS 93 1HD LYS 93 10.976 19.762 13.065 673 2HD LYS 93 2HD LYS 93 10.086 19.682 14.597 674 1HE LYS 93 1HE LYS 93 11.904 17.419 13.829 675 2HE LYS 93 2HE LYS 93 12.664 18.976 14.194 676 1HZ LYS 93 1HZ LYS 93 11.148 17.231 15.979 677 2HZ LYS 93 2HZ LYS 93 12.492 18.131 16.306 678 3HZ LYS 93 3HZ LYS 93 11.008 18.858 16.218 679 H PHE 94 H PHE 94 5.287 15.984 13.489 680 HA PHE 94 HA PHE 94 4.168 18.671 13.624 681 1HB PHE 94 1HB PHE 94 2.031 17.457 13.324 682 2HB PHE 94 2HB PHE 94 3.187 17.162 12.040 683 HD1 PHE 94 HD1 PHE 94 4.161 15.024 11.735 684 HD2 PHE 94 HD2 PHE 94 1.480 15.646 15.001 685 HE1 PHE 94 HE1 PHE 94 4.147 12.607 12.114 686 HE2 PHE 94 HE2 PHE 94 1.373 13.169 15.366 687 HZ PHE 94 HZ PHE 94 2.721 11.637 13.906 688 H ASP 95 H ASP 95 5.356 16.803 15.978 689 HA ASP 95 HA ASP 95 3.179 17.252 17.963 690 1HB ASP 95 1HB ASP 95 4.173 14.991 17.751 691 2HB ASP 95 2HB ASP 95 5.774 15.663 18.080 692 H SER 96 H SER 96 6.534 18.001 17.171 693 HA SER 96 HA SER 96 6.850 19.683 19.581 694 1HB SER 96 1HB SER 96 8.766 18.832 17.391 695 2HB SER 96 2HB SER 96 9.162 20.084 18.586 696 HG SER 96 HG SER 96 9.426 17.510 18.990 697 H LYS 97 H LYS 97 5.910 21.576 19.435 698 HA LYS 97 HA LYS 97 5.278 22.988 17.034 699 1HB LYS 97 1HB LYS 97 4.501 24.694 18.365 700 2HB LYS 97 2HB LYS 97 4.452 23.340 19.493 701 1HG LYS 97 1HG LYS 97 6.633 24.114 20.475 702 2HG LYS 97 2HG LYS 97 6.624 25.461 19.305 703 1HD LYS 97 1HD LYS 97 4.285 25.977 20.367 704 2HD LYS 97 2HD LYS 97 4.998 25.098 21.747 705 1HE LYS 97 1HE LYS 97 7.099 26.674 21.259 706 2HE LYS 97 2HE LYS 97 5.924 27.631 20.343 707 1HZ LYS 97 1HZ LYS 97 5.948 27.039 23.233 708 2HZ LYS 97 2HZ LYS 97 5.813 28.513 22.518 709 3HZ LYS 97 3HZ LYS 97 4.548 27.455 22.498 710 H LYS 98 H LYS 98 8.060 23.336 19.197 711 HA LYS 98 HA LYS 98 9.576 24.455 17.030 712 1HB LYS 98 1HB LYS 98 8.739 26.066 19.308 713 2HB LYS 98 2HB LYS 98 10.486 26.077 19.085 714 1HG LYS 98 1HG LYS 98 10.307 26.746 16.779 715 2HG LYS 98 2HG LYS 98 8.563 26.530 16.758 716 1HD LYS 98 1HD LYS 98 9.595 28.398 18.851 717 2HD LYS 98 2HD LYS 98 9.824 28.912 17.171 718 1HE LYS 98 1HE LYS 98 7.352 28.396 16.779 719 2HE LYS 98 2HE LYS 98 7.195 28.158 18.521 720 1HZ LYS 98 1HZ LYS 98 6.894 30.400 18.591 721 2HZ LYS 98 2HZ LYS 98 8.494 30.576 18.227 722 3HZ LYS 98 3HZ LYS 98 7.373 30.602 17.035 723 HA PRO 99 HA PRO 99 11.454 24.683 16.375 724 1HB PRO 99 1HB PRO 99 13.162 23.056 14.989 725 2HB PRO 99 2HB PRO 99 13.612 24.416 16.060 726 1HG PRO 99 1HG PRO 99 13.823 21.494 16.561 727 2HG PRO 99 2HG PRO 99 14.714 22.848 17.319 728 1HD PRO 99 1HD PRO 99 12.471 21.392 18.392 729 2HD PRO 99 2HD PRO 99 13.285 22.797 19.118 730 H LYS 100 H LYS 100 11.167 23.863 14.002 731 HA LYS 100 HA LYS 100 9.476 21.456 13.787 732 1HB LYS 100 1HB LYS 100 7.710 22.710 14.224 733 2HB LYS 100 2HB LYS 100 8.502 24.221 13.719 734 1HG LYS 100 1HG LYS 100 8.122 23.744 11.380 735 2HG LYS 100 2HG LYS 100 7.670 22.066 11.776 736 1HD LYS 100 1HD LYS 100 5.658 23.145 11.314 737 2HD LYS 100 2HD LYS 100 5.736 23.018 13.078 738 1HE LYS 100 1HE LYS 100 6.334 25.397 11.301 739 2HE LYS 100 2HE LYS 100 4.815 25.116 12.190 740 1HZ LYS 100 1HZ LYS 100 5.930 26.362 13.736 741 2HZ LYS 100 2HZ LYS 100 6.553 24.885 14.157 742 3HZ LYS 100 3HZ LYS 100 7.432 25.876 13.197 743 H GLU 101 H GLU 101 9.523 20.571 11.764 744 HA GLU 101 HA GLU 101 11.664 21.552 10.036 745 1HB GLU 101 1HB GLU 101 10.792 19.044 10.757 746 2HB GLU 101 2HB GLU 101 10.053 19.192 9.173 747 1HG GLU 101 1HG GLU 101 12.123 19.598 8.094 748 2HG GLU 101 2HG GLU 101 12.976 19.858 9.626 749 H ASN 102 H ASN 102 11.110 21.143 7.562 750 HA ASN 102 HA ASN 102 9.151 23.208 6.965 751 1HB ASN 102 1HB ASN 102 11.268 23.061 5.736 752 2HB ASN 102 2HB ASN 102 10.824 21.447 5.139 753 1HD2 ASN 102 1HD2 ASN 102 10.386 24.892 4.723 754 2HD2 ASN 102 2HD2 ASN 102 9.283 24.671 3.345 755 HA PRO 103 HA PRO 103 5.826 20.296 6.237 756 1HB PRO 103 1HB PRO 103 4.073 22.007 4.878 757 2HB PRO 103 2HB PRO 103 4.304 21.893 6.639 758 1HG PRO 103 1HG PRO 103 5.256 23.974 4.740 759 2HG PRO 103 2HG PRO 103 4.952 24.091 6.501 760 1HD PRO 103 1HD PRO 103 7.427 23.779 5.154 761 2HD PRO 103 2HD PRO 103 7.150 23.773 6.911 762 H GLY 104 H GLY 104 4.162 20.296 3.968 763 1HA GLY 104 1HA GLY 104 5.914 20.055 1.656 764 2HA GLY 104 2HA GLY 104 5.172 18.536 2.184 765 HA PRO 105 HA PRO 105 2.189 21.144 -0.392 766 1HB PRO 105 1HB PRO 105 2.563 19.973 -2.908 767 2HB PRO 105 2HB PRO 105 3.308 21.500 -2.347 768 1HG PRO 105 1HG PRO 105 4.572 18.823 -2.702 769 2HG PRO 105 2HG PRO 105 5.329 20.443 -2.631 770 1HD PRO 105 1HD PRO 105 5.200 18.476 -0.552 771 2HD PRO 105 2HD PRO 105 5.840 20.136 -0.451 772 H ALA 106 H ALA 106 3.021 17.762 -1.306 773 HA ALA 106 HA ALA 106 0.327 16.951 -1.607 774 1HB ALA 106 1HB ALA 106 2.852 15.947 -2.069 775 2HB ALA 106 2HB ALA 106 2.136 14.797 -0.914 776 3HB ALA 106 3HB ALA 106 1.372 15.195 -2.482 777 H ARG 107 H ARG 107 -1.091 16.068 -0.223 778 HA ARG 107 HA ARG 107 -0.236 15.400 2.491 779 1HB ARG 107 1HB ARG 107 -2.333 17.524 1.794 780 2HB ARG 107 2HB ARG 107 -2.276 16.692 3.352 781 1HG ARG 107 1HG ARG 107 0.352 17.515 3.035 782 2HG ARG 107 2HG ARG 107 -0.484 18.796 2.242 783 1HD ARG 107 1HD ARG 107 -1.728 18.063 4.831 784 2HD ARG 107 2HD ARG 107 -0.029 18.425 4.999 785 HE ARG 107 HE ARG 107 -2.104 20.283 4.281 786 1HH1 ARG 107 2HH2 ARG 107 1.256 19.637 3.930 787 2HH1 ARG 107 1HH2 ARG 107 1.716 21.232 3.639 788 1HH2 ARG 107 2HH1 ARG 107 -1.479 22.440 4.048 789 2HH2 ARG 107 1HH1 ARG 107 0.187 22.850 3.856 790 H VAL 108 H VAL 108 -1.543 13.918 3.506 791 HA VAL 108 HA VAL 108 -3.323 12.356 1.739 792 HB VAL 108 HB VAL 108 -1.736 11.125 3.022 793 1HG1 VAL 108 1HG1 VAL 108 -1.942 11.121 5.615 794 2HG1 VAL 108 2HG1 VAL 108 -1.077 12.439 4.828 795 3HG1 VAL 108 3HG1 VAL 108 -2.748 12.627 5.419 796 1HG2 VAL 108 1HG2 VAL 108 -3.319 9.637 3.072 797 2HG2 VAL 108 2HG2 VAL 108 -3.643 10.038 4.750 798 3HG2 VAL 108 3HG2 VAL 108 -4.618 10.784 3.506 799 H ILE 109 H ILE 109 -5.396 12.783 1.577 800 HA ILE 109 HA ILE 109 -6.735 14.265 3.794 801 HB ILE 109 HB ILE 109 -7.201 14.047 0.831 802 1HG1 ILE 109 1HG1 ILE 109 -7.188 16.543 1.049 803 2HG1 ILE 109 2HG1 ILE 109 -6.890 16.357 2.781 804 1HG2 ILE 109 1HG2 ILE 109 -9.392 13.659 1.923 805 2HG2 ILE 109 2HG2 ILE 109 -9.120 15.097 2.918 806 3HG2 ILE 109 3HG2 ILE 109 -9.295 15.163 1.123 807 1HD1 ILE 109 1HD1 ILE 109 -4.878 16.836 1.197 808 2HD1 ILE 109 2HD1 ILE 109 -4.697 15.570 2.375 809 3HD1 ILE 109 3HD1 ILE 109 -5.109 15.144 0.689 810 H TYR 110 H TYR 110 -8.012 13.166 5.075 811 HA TYR 110 HA TYR 110 -9.438 10.767 4.032 812 1HB TYR 110 1HB TYR 110 -8.775 9.597 6.088 813 2HB TYR 110 2HB TYR 110 -7.357 10.032 5.142 814 HD1 TYR 110 HD1 TYR 110 -5.586 11.249 6.159 815 HD2 TYR 110 HD2 TYR 110 -9.457 11.263 8.044 816 HE1 TYR 110 HE1 TYR 110 -4.652 12.401 8.176 817 HE2 TYR 110 HE2 TYR 110 -8.537 12.348 10.005 818 HH TYR 110 HH TYR 110 -5.069 12.985 10.358 819 H THR 111 H THR 111 -11.185 10.121 5.446 820 HA THR 111 HA THR 111 -12.517 12.499 6.583 821 HB THR 111 HB THR 111 -14.508 11.481 6.060 822 HG1 THR 111 HG1 THR 111 -14.494 9.087 5.751 823 1HG2 THR 111 1HG2 THR 111 -12.719 11.311 3.961 824 2HG2 THR 111 2HG2 THR 111 -13.113 9.660 4.109 825 3HG2 THR 111 3HG2 THR 111 -14.398 10.851 3.840 826 H TYR 112 H TYR 112 -13.792 12.219 8.563 827 HA TYR 112 HA TYR 112 -12.308 10.505 10.463 828 1HB TYR 112 1HB TYR 112 -12.007 12.725 10.961 829 2HB TYR 112 2HB TYR 112 -13.693 13.111 10.751 830 HD1 TYR 112 HD1 TYR 112 -11.276 12.842 13.170 831 HD2 TYR 112 HD2 TYR 112 -15.365 11.668 12.505 832 HE1 TYR 112 HE1 TYR 112 -11.613 12.480 15.621 833 HE2 TYR 112 HE2 TYR 112 -15.705 11.353 14.873 834 HH TYR 112 HH TYR 112 -13.141 11.244 17.116 835 HA PRO 113 HA PRO 113 -12.553 9.958 12.573 836 1HB PRO 113 1HB PRO 113 -12.840 7.570 13.869 837 2HB PRO 113 2HB PRO 113 -13.438 9.149 14.450 838 1HG PRO 113 1HG PRO 113 -14.977 6.883 13.287 839 2HG PRO 113 2HG PRO 113 -15.539 8.213 14.342 840 1HD PRO 113 1HD PRO 113 -15.909 7.998 11.497 841 2HD PRO 113 2HD PRO 113 -16.266 9.401 12.508 842 H ASN 114 H ASN 114 -13.749 6.924 11.275 843 HA ASN 114 HA ASN 114 -11.361 5.632 10.755 844 1HB ASN 114 1HB ASN 114 -14.107 5.589 9.615 845 2HB ASN 114 2HB ASN 114 -12.915 5.248 8.387 846 1HD2 ASN 114 1HD2 ASN 114 -14.796 3.436 9.341 847 2HD2 ASN 114 2HD2 ASN 114 -13.868 2.098 10.047 848 H LYS 115 H LYS 115 -9.591 6.424 9.847 849 HA LYS 115 HA LYS 115 -9.499 8.668 8.124 850 1HB LYS 115 1HB LYS 115 -7.587 6.758 9.329 851 2HB LYS 115 2HB LYS 115 -6.995 7.384 7.817 852 1HG LYS 115 1HG LYS 115 -6.649 9.425 8.506 853 2HG LYS 115 2HG LYS 115 -8.116 9.488 9.505 854 1HD LYS 115 1HD LYS 115 -5.431 8.303 10.221 855 2HD LYS 115 2HD LYS 115 -6.139 9.781 10.830 856 1HE LYS 115 1HE LYS 115 -7.125 8.497 12.505 857 2HE LYS 115 2HE LYS 115 -8.195 7.922 11.230 858 1HZ LYS 115 1HZ LYS 115 -5.960 6.601 12.474 859 2HZ LYS 115 2HZ LYS 115 -7.307 5.930 11.752 860 3HZ LYS 115 3HZ LYS 115 -6.033 6.440 10.835 861 H VAL 116 H VAL 116 -11.200 7.801 6.720 862 HA VAL 116 HA VAL 116 -10.604 5.713 4.821 863 HB VAL 116 HB VAL 116 -12.731 7.832 5.033 864 1HG1 VAL 116 1HG1 VAL 116 -12.050 6.189 2.656 865 2HG1 VAL 116 2HG1 VAL 116 -13.781 6.271 3.056 866 3HG1 VAL 116 3HG1 VAL 116 -12.873 7.746 2.769 867 1HG2 VAL 116 1HG2 VAL 116 -12.483 5.155 6.026 868 2HG2 VAL 116 2HG2 VAL 116 -13.769 6.349 6.279 869 3HG2 VAL 116 3HG2 VAL 116 -13.854 5.229 4.916 870 H PHE 117 H PHE 117 -8.456 6.562 4.478 871 HA PHE 117 HA PHE 117 -7.533 8.789 3.298 872 1HB PHE 117 1HB PHE 117 -6.109 6.866 3.744 873 2HB PHE 117 2HB PHE 117 -7.035 5.876 2.596 874 HD1 PHE 117 HD1 PHE 117 -5.403 9.180 2.526 875 HD2 PHE 117 HD2 PHE 117 -5.969 5.425 0.590 876 HE1 PHE 117 HE1 PHE 117 -3.838 9.926 0.737 877 HE2 PHE 117 HE2 PHE 117 -4.446 6.113 -1.205 878 HZ PHE 117 HZ PHE 117 -3.427 8.331 -1.219 879 H CYS 118 H CYS 118 -8.191 10.017 1.678 880 HA CYS 118 HA CYS 118 -9.864 8.866 -0.421 881 1HB CYS 118 1HB CYS 118 -9.219 11.789 -0.101 882 2HB CYS 118 2HB CYS 118 -10.579 10.966 -0.834 883 H GLY 119 H GLY 119 -6.900 10.782 0.043 884 1HA GLY 119 1HA GLY 119 -5.217 9.656 -1.745 885 2HA GLY 119 2HA GLY 119 -6.174 10.677 -2.787 886 H ILE 120 H ILE 120 -3.704 11.327 -2.861 887 HA ILE 120 HA ILE 120 -3.218 13.365 -0.840 888 HB ILE 120 HB ILE 120 -1.374 11.879 -2.681 889 1HG1 ILE 120 1HG1 ILE 120 -0.137 11.802 -0.300 890 2HG1 ILE 120 2HG1 ILE 120 -1.750 12.156 0.294 891 1HG2 ILE 120 1HG2 ILE 120 -0.414 14.145 -0.952 892 2HG2 ILE 120 2HG2 ILE 120 0.420 13.264 -2.250 893 3HG2 ILE 120 3HG2 ILE 120 -0.830 14.437 -2.635 894 1HD1 ILE 120 1HD1 ILE 120 -1.708 9.827 0.271 895 2HD1 ILE 120 2HD1 ILE 120 -2.469 10.169 -1.267 896 3HD1 ILE 120 3HD1 ILE 120 -0.767 9.746 -1.245 897 H ILE 121 H ILE 121 -3.571 15.433 -1.323 898 HA ILE 121 HA ILE 121 -4.115 16.029 -4.161 899 HB ILE 121 HB ILE 121 -5.346 17.835 -3.451 900 1HG1 ILE 121 1HG1 ILE 121 -4.221 17.592 -0.625 901 2HG1 ILE 121 2HG1 ILE 121 -3.611 18.739 -1.787 902 1HG2 ILE 121 1HG2 ILE 121 -6.656 16.024 -3.073 903 2HG2 ILE 121 2HG2 ILE 121 -5.821 15.487 -1.596 904 3HG2 ILE 121 3HG2 ILE 121 -6.836 16.885 -1.557 905 1HD1 ILE 121 1HD1 ILE 121 -6.026 19.547 -2.060 906 2HD1 ILE 121 2HD1 ILE 121 -6.332 18.678 -0.585 907 3HD1 ILE 121 3HD1 ILE 121 -5.153 19.993 -0.563 908 H ALA 122 H ALA 122 -3.217 17.911 -5.144 909 HA ALA 122 HA ALA 122 -1.178 19.511 -3.981 910 1HB ALA 122 1HB ALA 122 -0.017 17.132 -4.278 911 2HB ALA 122 2HB ALA 122 0.027 17.644 -5.974 912 3HB ALA 122 3HB ALA 122 0.862 18.584 -4.718 913 H HIS 123 H HIS 123 -0.220 20.984 -5.527 914 HA HIS 123 HA HIS 123 -2.044 21.418 -7.794 915 1HB HIS 123 1HB HIS 123 0.104 23.357 -6.859 916 2HB HIS 123 2HB HIS 123 -1.328 23.683 -7.794 917 HD1 HIS 123 HD1 HIS 123 -3.282 24.694 -6.424 918 HD2 HIS 123 HD2 HIS 123 -0.511 22.443 -4.142 919 HE1 HIS 123 HE1 HIS 123 -4.000 24.916 -3.967 920 HE2 HIS 123 HE2 HIS 123 -2.323 23.498 -2.583 921 H THR 124 H THR 124 -1.384 19.959 -9.300 922 HA THR 124 HA THR 124 1.455 20.056 -10.194 923 HB THR 124 HB THR 124 0.172 17.901 -9.654 924 HG1 THR 124 HG1 THR 124 2.168 17.859 -10.632 925 1HG2 THR 124 1HG2 THR 124 -1.430 17.086 -11.038 926 2HG2 THR 124 2HG2 THR 124 -1.566 18.769 -11.610 927 3HG2 THR 124 3HG2 THR 124 -0.584 17.651 -12.499 928 H LYS 125 H LYS 125 0.189 22.339 -10.690 929 HA LYS 125 HA LYS 125 -0.393 22.285 -13.657 930 1HB LYS 125 1HB LYS 125 -2.323 23.056 -12.368 931 2HB LYS 125 2HB LYS 125 -1.340 24.263 -11.554 932 1HG LYS 125 1HG LYS 125 -2.388 25.499 -13.228 933 2HG LYS 125 2HG LYS 125 -0.830 25.213 -13.959 934 1HD LYS 125 1HD LYS 125 -1.648 23.597 -15.477 935 2HD LYS 125 2HD LYS 125 -3.053 23.228 -14.473 936 1HE LYS 125 1HE LYS 125 -3.324 25.975 -15.005 937 2HE LYS 125 2HE LYS 125 -2.708 25.320 -16.524 938 1HZ LYS 125 1HZ LYS 125 -4.772 24.542 -16.888 939 2HZ LYS 125 2HZ LYS 125 -4.698 23.596 -15.550 940 3HZ LYS 125 3HZ LYS 125 -5.309 25.117 -15.437 941 H GLU 126 H GLU 126 1.659 23.505 -11.114 942 HA GLU 126 HA GLU 126 3.693 24.197 -12.908 943 1HB GLU 126 1HB GLU 126 1.667 26.223 -12.764 944 2HB GLU 126 2HB GLU 126 2.943 26.807 -11.767 945 1HG GLU 126 1HG GLU 126 3.673 25.613 -14.453 946 2HG GLU 126 2HG GLU 126 2.869 27.170 -14.438 947 H ASN 127 H ASN 127 2.509 25.814 -10.003 948 HA ASN 127 HA ASN 127 4.401 24.390 -8.304 949 1HB ASN 127 1HB ASN 127 5.309 26.745 -9.517 950 2HB ASN 127 2HB ASN 127 4.625 27.367 -8.025 951 1HD2 ASN 127 1HD2 ASN 127 6.954 27.948 -7.831 952 2HD2 ASN 127 2HD2 ASN 127 7.978 26.741 -7.031 953 H GLN 128 H GLN 128 2.114 27.075 -8.589 954 HA GLN 128 HA GLN 128 0.570 26.114 -6.344 955 1HB GLN 128 1HB GLN 128 2.038 27.346 -5.042 956 2HB GLN 128 2HB GLN 128 2.213 28.646 -6.218 957 1HG GLN 128 1HG GLN 128 0.268 29.688 -5.629 958 2HG GLN 128 2HG GLN 128 -0.559 28.204 -5.138 959 1HE2 GLN 128 1HE2 GLN 128 -0.202 30.882 -3.879 960 2HE2 GLN 128 2HE2 GLN 128 0.395 30.468 -2.266 961 H GLY 129 H GLY 129 -0.796 25.750 -8.198 962 1HA GLY 129 1HA GLY 129 -2.372 28.238 -8.856 963 2HA GLY 129 2HA GLY 129 -1.978 27.052 -10.097 964 H GLU 130 H GLU 130 -3.322 25.366 -10.323 965 HA GLU 130 HA GLU 130 -5.715 25.280 -8.592 966 1HB GLU 130 1HB GLU 130 -4.986 24.469 -11.341 967 2HB GLU 130 2HB GLU 130 -5.834 23.201 -10.505 968 1HG GLU 130 1HG GLU 130 -7.802 24.265 -10.457 969 2HG GLU 130 2HG GLU 130 -7.108 25.818 -9.997 970 H LEU 131 H LEU 131 -6.519 23.342 -7.606 971 HA LEU 131 HA LEU 131 -4.307 21.544 -6.739 972 1HB LEU 131 1HB LEU 131 -5.868 23.206 -5.182 973 2HB LEU 131 2HB LEU 131 -6.825 21.722 -5.161 974 HG LEU 131 HG LEU 131 -3.909 22.018 -4.377 975 1HD1 LEU 131 1HD1 LEU 131 -4.737 21.489 -2.127 976 2HD1 LEU 131 2HD1 LEU 131 -5.402 23.004 -2.716 977 3HD1 LEU 131 3HD1 LEU 131 -6.409 21.553 -2.750 978 1HD2 LEU 131 1HD2 LEU 131 -5.519 19.584 -4.704 979 2HD2 LEU 131 2HD2 LEU 131 -3.864 19.998 -5.183 980 3HD2 LEU 131 3HD2 LEU 131 -4.212 19.730 -3.518 981 H LYS 132 H LYS 132 -4.696 19.332 -6.736 982 HA LYS 132 HA LYS 132 -7.218 18.198 -7.652 983 1HB LYS 132 1HB LYS 132 -6.004 17.021 -9.536 984 2HB LYS 132 2HB LYS 132 -6.422 18.711 -9.765 985 1HG LYS 132 1HG LYS 132 -3.959 19.247 -9.012 986 2HG LYS 132 2HG LYS 132 -3.664 17.533 -9.217 987 1HD LYS 132 1HD LYS 132 -3.446 17.896 -11.426 988 2HD LYS 132 2HD LYS 132 -5.073 18.424 -11.577 989 1HE LYS 132 1HE LYS 132 -3.005 20.385 -10.486 990 2HE LYS 132 2HE LYS 132 -3.118 20.101 -12.221 991 1HZ LYS 132 1HZ LYS 132 -4.578 21.899 -11.660 992 2HZ LYS 132 2HZ LYS 132 -5.531 20.598 -11.997 993 3HZ LYS 132 3HZ LYS 132 -5.300 21.050 -10.443 994 H LEU 133 H LEU 133 -6.854 15.780 -7.878 995 HA LEU 133 HA LEU 133 -5.491 14.916 -5.393 996 1HB LEU 133 1HB LEU 133 -7.944 14.285 -6.221 997 2HB LEU 133 2HB LEU 133 -7.118 13.146 -7.227 998 HG LEU 133 HG LEU 133 -5.955 12.332 -5.020 999 1HD1 LEU 133 1HD1 LEU 133 -8.044 14.189 -3.931 1000 2HD1 LEU 133 2HD1 LEU 133 -7.520 12.773 -3.018 1001 3HD1 LEU 133 3HD1 LEU 133 -6.343 13.979 -3.446 1002 1HD2 LEU 133 1HD2 LEU 133 -8.969 11.955 -5.106 1003 2HD2 LEU 133 2HD2 LEU 133 -7.878 11.219 -6.285 1004 3HD2 LEU 133 3HD2 LEU 133 -7.706 10.805 -4.573 1005 H CYS 134 H CYS 134 -3.877 13.397 -5.434 1006 HA CYS 134 HA CYS 134 -2.015 13.343 -7.552 1007 1HB CYS 134 1HB CYS 134 -2.393 11.670 -5.075 1008 2HB CYS 134 2HB CYS 134 -1.159 11.246 -6.205 1009 H SER 135 H SER 135 -1.229 10.868 -8.010 1010 HA SER 135 HA SER 135 -3.262 9.041 -8.789 1011 1HB SER 135 1HB SER 135 -4.112 10.014 -10.602 1012 2HB SER 135 2HB SER 135 -2.928 11.309 -10.564 1013 HG SER 135 HG SER 135 -2.419 8.765 -11.730 1014 H HIS 136 H HIS 136 -2.260 7.217 -8.846 1015 HA HIS 136 HA HIS 136 0.674 7.074 -9.410 1016 1HB HIS 136 1HB HIS 136 0.213 4.650 -8.534 1017 2HB HIS 136 2HB HIS 136 0.338 6.010 -7.416 1018 HD1 HIS 136 HD1 HIS 136 -2.720 4.957 -9.350 1019 HD2 HIS 136 HD2 HIS 136 -1.198 5.504 -5.512 1020 HE1 HIS 136 HE1 HIS 136 -4.787 4.592 -7.658 1021 HE2 HIS 136 HE2 HIS 136 -3.774 4.923 -5.304 Start of MODEL 23 1 1H ALA 1 H1 ALA 1 1.938 -0.361 0.737 2 2H ALA 1 H2 ALA 1 0.547 -0.641 -0.107 3 3H ALA 1 H3 ALA 1 1.049 0.926 0.193 4 HA ALA 1 HA ALA 1 1.558 -0.643 -1.977 5 1HB ALA 1 1HB ALA 1 1.194 1.654 -2.335 6 2HB ALA 1 2HB ALA 1 2.271 2.141 -0.999 7 3HB ALA 1 3HB ALA 1 2.950 1.525 -2.524 8 H VAL 2 H VAL 2 4.300 1.280 -0.966 9 HA VAL 2 HA VAL 2 5.845 -1.211 -0.554 10 HB VAL 2 HB VAL 2 6.077 0.148 -2.770 11 1HG1 VAL 2 1HG1 VAL 2 7.676 1.947 -2.710 12 2HG1 VAL 2 2HG1 VAL 2 6.290 2.367 -1.686 13 3HG1 VAL 2 3HG1 VAL 2 7.807 1.817 -0.939 14 1HG2 VAL 2 1HG2 VAL 2 8.130 -1.117 -1.016 15 2HG2 VAL 2 2HG2 VAL 2 7.603 -1.529 -2.651 16 3HG2 VAL 2 3HG2 VAL 2 8.723 -0.188 -2.414 17 H THR 3 H THR 3 6.735 -1.358 1.396 18 HA THR 3 HA THR 3 6.681 0.959 3.154 19 HB THR 3 HB THR 3 7.710 -1.807 3.841 20 HG1 THR 3 HG1 THR 3 5.029 -0.853 3.556 21 1HG2 THR 3 1HG2 THR 3 7.689 -0.110 5.628 22 2HG2 THR 3 2HG2 THR 3 6.008 0.284 5.268 23 3HG2 THR 3 3HG2 THR 3 6.369 -1.295 5.906 24 H TRP 4 H TRP 4 8.337 2.322 3.501 25 HA TRP 4 HA TRP 4 10.885 1.730 2.242 26 1HB TRP 4 1HB TRP 4 9.878 4.148 3.737 27 2HB TRP 4 2HB TRP 4 11.397 3.982 2.921 28 HD1 TRP 4 HD1 TRP 4 7.696 3.481 1.809 29 HE1 TRP 4 HE1 TRP 4 7.380 4.559 -0.532 30 HE3 TRP 4 HE3 TRP 4 12.437 5.151 1.122 31 HZ2 TRP 4 HZ2 TRP 4 8.998 5.969 -2.409 32 HZ3 TRP 4 HZ3 TRP 4 13.033 6.382 -0.937 33 HH2 TRP 4 HH2 TRP 4 11.346 6.804 -2.699 34 H THR 5 H THR 5 12.759 1.231 3.292 35 HA THR 5 HA THR 5 12.632 1.137 6.251 36 HB THR 5 HB THR 5 12.953 -1.079 4.305 37 HG1 THR 5 HG1 THR 5 12.483 -0.842 7.105 38 1HG2 THR 5 1HG2 THR 5 14.435 -2.374 5.761 39 2HG2 THR 5 2HG2 THR 5 15.312 -0.938 5.219 40 3HG2 THR 5 3HG2 THR 5 14.608 -0.988 6.869 41 H CYS 6 H CYS 6 14.341 1.872 7.289 42 HA CYS 6 HA CYS 6 16.744 2.493 5.642 43 1HB CYS 6 1HB CYS 6 15.019 4.309 7.099 44 2HB CYS 6 2HB CYS 6 16.599 4.299 7.798 45 H GLY 7 H GLY 7 16.405 0.040 6.922 46 1HA GLY 7 1HA GLY 7 18.631 -0.589 8.175 47 2HA GLY 7 2HA GLY 7 17.809 0.236 9.513 48 H GLY 8 H GLY 8 16.082 -0.727 10.550 49 1HA GLY 8 1HA GLY 8 15.289 -3.452 9.612 50 2HA GLY 8 2HA GLY 8 15.715 -3.122 11.298 51 H LEU 9 H LEU 9 14.239 -0.351 10.070 52 HA LEU 9 HA LEU 9 11.661 -1.169 11.239 53 1HB LEU 9 1HB LEU 9 12.079 1.658 10.818 54 2HB LEU 9 2HB LEU 9 11.542 0.816 12.232 55 HG LEU 9 HG LEU 9 13.498 1.914 12.904 56 1HD1 LEU 9 1HD1 LEU 9 14.388 0.149 13.951 57 2HD1 LEU 9 2HD1 LEU 9 13.460 -0.891 12.896 58 3HD1 LEU 9 3HD1 LEU 9 15.113 -0.463 12.454 59 1HD2 LEU 9 1HD2 LEU 9 14.283 1.663 10.141 60 2HD2 LEU 9 2HD2 LEU 9 14.926 2.716 11.404 61 3HD2 LEU 9 3HD2 LEU 9 15.619 1.119 11.171 62 H LEU 10 H LEU 10 9.775 -0.865 10.116 63 HA LEU 10 HA LEU 10 10.125 -0.252 7.240 64 1HB LEU 10 1HB LEU 10 8.089 -2.003 8.667 65 2HB LEU 10 2HB LEU 10 8.109 -1.665 6.974 66 HG LEU 10 HG LEU 10 8.993 -3.879 7.542 67 1HD1 LEU 10 1HD1 LEU 10 9.735 -3.591 5.442 68 2HD1 LEU 10 2HD1 LEU 10 10.124 -1.910 5.728 69 3HD1 LEU 10 3HD1 LEU 10 11.276 -3.210 6.172 70 1HD2 LEU 10 1HD2 LEU 10 11.020 -4.212 8.647 71 2HD2 LEU 10 2HD2 LEU 10 11.549 -2.556 8.394 72 3HD2 LEU 10 3HD2 LEU 10 10.266 -2.930 9.584 73 H TYR 11 H TYR 11 9.327 1.590 6.586 74 HA TYR 11 HA TYR 11 7.222 2.923 8.177 75 1HB TYR 11 1HB TYR 11 9.319 4.075 6.285 76 2HB TYR 11 2HB TYR 11 8.227 4.997 7.307 77 HD1 TYR 11 HD1 TYR 11 11.436 3.378 7.051 78 HD2 TYR 11 HD2 TYR 11 8.471 4.720 9.866 79 HE1 TYR 11 HE1 TYR 11 13.143 3.327 8.899 80 HE2 TYR 11 HE2 TYR 11 10.213 4.712 11.674 81 HH TYR 11 HH TYR 11 12.321 4.435 12.166 82 H ASN 12 H ASN 12 5.328 2.398 7.199 83 HA ASN 12 HA ASN 12 5.013 1.888 4.454 84 1HB ASN 12 1HB ASN 12 3.344 1.874 6.726 85 2HB ASN 12 2HB ASN 12 2.663 3.164 5.746 86 1HD2 ASN 12 1HD2 ASN 12 2.261 2.702 3.461 87 2HD2 ASN 12 2HD2 ASN 12 1.695 1.074 3.062 88 H GLN 13 H GLN 13 5.350 3.252 2.770 89 HA GLN 13 HA GLN 13 5.886 5.834 2.911 90 1HB GLN 13 1HB GLN 13 5.912 4.494 0.804 91 2HB GLN 13 2HB GLN 13 4.168 4.539 0.739 92 1HG GLN 13 1HG GLN 13 5.508 6.259 -0.722 93 2HG GLN 13 2HG GLN 13 4.103 6.843 0.183 94 1HE2 GLN 13 1HE2 GLN 13 7.477 6.054 1.119 95 2HE2 GLN 13 2HE2 GLN 13 7.797 7.615 1.834 96 H ASN 14 H ASN 14 2.574 4.558 2.622 97 HA ASN 14 HA ASN 14 1.120 6.857 2.419 98 1HB ASN 14 1HB ASN 14 0.392 4.328 2.859 99 2HB ASN 14 2HB ASN 14 0.350 4.817 4.550 100 1HD2 ASN 14 1HD2 ASN 14 -1.507 4.408 1.952 101 2HD2 ASN 14 2HD2 ASN 14 -2.759 5.591 2.262 102 H LYS 15 H LYS 15 2.548 5.484 5.433 103 HA LYS 15 HA LYS 15 1.608 7.650 7.091 104 1HB LYS 15 1HB LYS 15 3.083 5.115 7.398 105 2HB LYS 15 2HB LYS 15 3.708 6.382 8.436 106 1HG LYS 15 1HG LYS 15 1.848 6.444 9.741 107 2HG LYS 15 2HG LYS 15 0.737 6.323 8.403 108 1HD LYS 15 1HD LYS 15 2.106 3.767 8.620 109 2HD LYS 15 2HD LYS 15 1.532 4.202 10.184 110 1HE LYS 15 1HE LYS 15 -0.265 4.443 7.752 111 2HE LYS 15 2HE LYS 15 -0.062 2.908 8.611 112 1HZ LYS 15 1HZ LYS 15 -0.541 4.780 10.564 113 2HZ LYS 15 2HZ LYS 15 -1.608 5.161 9.372 114 3HZ LYS 15 3HZ LYS 15 -1.595 3.648 10.024 115 H ALA 16 H ALA 16 4.487 6.968 5.151 116 HA ALA 16 HA ALA 16 6.159 8.927 6.299 117 1HB ALA 16 1HB ALA 16 7.463 8.654 4.312 118 2HB ALA 16 2HB ALA 16 6.799 7.028 4.717 119 3HB ALA 16 3HB ALA 16 6.112 8.020 3.445 120 H GLU 17 H GLU 17 3.918 9.040 3.462 121 HA GLU 17 HA GLU 17 4.328 11.870 3.145 122 1HB GLU 17 1HB GLU 17 2.369 11.602 1.521 123 2HB GLU 17 2HB GLU 17 3.851 10.718 1.139 124 1HG GLU 17 1HG GLU 17 2.921 8.662 1.747 125 2HG GLU 17 2HG GLU 17 1.653 9.387 2.710 126 H SER 18 H SER 18 1.892 9.745 4.627 127 HA SER 18 HA SER 18 -0.031 11.751 5.102 128 1HB SER 18 1HB SER 18 -0.622 9.376 5.156 129 2HB SER 18 2HB SER 18 0.410 9.147 6.576 130 HG SER 18 HG SER 18 -1.292 9.604 7.664 131 H ASN 19 H ASN 19 2.170 10.059 7.438 132 HA ASN 19 HA ASN 19 1.794 11.534 9.657 133 1HB ASN 19 1HB ASN 19 3.404 9.604 9.446 134 2HB ASN 19 2HB ASN 19 4.534 10.728 8.656 135 1HD2 ASN 19 1HD2 ASN 19 2.336 10.959 11.423 136 2HD2 ASN 19 2HD2 ASN 19 3.580 11.482 12.554 137 H SER 20 H SER 20 3.536 12.436 6.725 138 HA SER 20 HA SER 20 4.556 14.876 7.889 139 1HB SER 20 1HB SER 20 6.037 14.610 6.262 140 2HB SER 20 2HB SER 20 5.078 13.303 5.560 141 HG SER 20 HG SER 20 4.954 14.634 3.950 142 H HIS 21 H HIS 21 2.002 13.875 5.611 143 HA HIS 21 HA HIS 21 1.137 16.212 4.547 144 1HB HIS 21 1HB HIS 21 -0.302 13.728 5.427 145 2HB HIS 21 2HB HIS 21 -1.268 15.093 5.059 146 HD1 HIS 21 HD1 HIS 21 -2.248 13.827 2.978 147 HD2 HIS 21 HD2 HIS 21 1.912 14.532 2.869 148 HE1 HIS 21 HE1 HIS 21 -1.484 13.371 0.555 149 HE2 HIS 21 HE2 HIS 21 1.070 13.814 0.521 150 H HIS 22 H HIS 22 0.622 15.069 7.906 151 HA HIS 22 HA HIS 22 -1.044 17.264 8.595 152 1HB HIS 22 1HB HIS 22 0.444 15.881 10.730 153 2HB HIS 22 2HB HIS 22 -1.265 16.214 10.580 154 HD1 HIS 22 HD1 HIS 22 0.457 13.440 11.282 155 HD2 HIS 22 HD2 HIS 22 -1.861 14.417 7.895 156 HE1 HIS 22 HE1 HIS 22 -0.271 11.208 10.210 157 HE2 HIS 22 HE2 HIS 22 -1.698 11.835 8.125 158 H ALA 23 H ALA 23 2.438 16.474 9.046 159 HA ALA 23 HA ALA 23 3.321 18.442 10.581 160 1HB ALA 23 1HB ALA 23 4.972 18.162 8.180 161 2HB ALA 23 2HB ALA 23 5.304 17.776 9.872 162 3HB ALA 23 3HB ALA 23 4.467 16.619 8.870 163 HA PRO 24 HA PRO 24 2.159 22.132 8.474 164 1HB PRO 24 1HB PRO 24 3.622 23.942 10.022 165 2HB PRO 24 2HB PRO 24 2.029 23.265 10.459 166 1HG PRO 24 1HG PRO 24 4.667 22.644 11.495 167 2HG PRO 24 2HG PRO 24 3.099 22.320 12.271 168 1HD PRO 24 1HD PRO 24 4.788 20.418 10.958 169 2HD PRO 24 2HD PRO 24 3.157 20.167 11.562 170 H LEU 25 H LEU 25 2.833 22.761 6.551 171 HA LEU 25 HA LEU 25 5.444 22.313 5.674 172 1HB LEU 25 1HB LEU 25 2.998 22.907 4.506 173 2HB LEU 25 2HB LEU 25 3.903 24.382 4.221 174 HG LEU 25 HG LEU 25 5.521 23.296 2.896 175 1HD1 LEU 25 1HD1 LEU 25 5.408 20.770 2.623 176 2HD1 LEU 25 2HD1 LEU 25 6.211 21.406 4.005 177 3HD1 LEU 25 3HD1 LEU 25 4.562 20.807 4.226 178 1HD2 LEU 25 1HD2 LEU 25 3.611 23.619 1.588 179 2HD2 LEU 25 2HD2 LEU 25 4.076 21.961 1.281 180 3HD2 LEU 25 3HD2 LEU 25 2.728 22.281 2.353 181 H SER 26 H SER 26 7.098 23.169 6.780 182 HA SER 26 HA SER 26 7.827 25.819 6.291 183 1HB SER 26 1HB SER 26 6.055 25.422 8.620 184 2HB SER 26 2HB SER 26 7.629 26.076 9.092 185 HG SER 26 HG SER 26 5.687 27.164 7.352 186 H ASP 27 H ASP 27 9.784 26.429 7.671 187 HA ASP 27 HA ASP 27 11.312 23.964 8.240 188 1HB ASP 27 1HB ASP 27 12.517 25.143 6.672 189 2HB ASP 27 2HB ASP 27 11.977 26.679 7.216 190 H GLY 28 H GLY 28 10.801 23.557 10.402 191 1HA GLY 28 1HA GLY 28 11.093 23.783 12.660 192 2HA GLY 28 2HA GLY 28 12.189 25.147 12.343 193 H LYS 29 H LYS 29 8.777 24.194 12.637 194 HA LYS 29 HA LYS 29 8.178 26.703 13.966 195 1HB LYS 29 1HB LYS 29 7.431 26.237 11.129 196 2HB LYS 29 2HB LYS 29 6.103 26.759 12.147 197 1HG LYS 29 1HG LYS 29 7.931 28.540 13.019 198 2HG LYS 29 2HG LYS 29 8.643 28.219 11.442 199 1HD LYS 29 1HD LYS 29 7.148 29.579 10.477 200 2HD LYS 29 2HD LYS 29 5.817 28.562 11.024 201 1HE LYS 29 1HE LYS 29 5.536 29.770 13.059 202 2HE LYS 29 2HE LYS 29 7.113 30.559 12.916 203 1HZ LYS 29 1HZ LYS 29 6.352 31.982 11.327 204 2HZ LYS 29 2HZ LYS 29 5.151 30.997 10.803 205 3HZ LYS 29 3HZ LYS 29 4.973 31.817 12.227 206 H THR 30 H THR 30 8.286 23.819 14.540 207 HA THR 30 HA THR 30 5.434 23.453 15.302 208 HB THR 30 HB THR 30 5.723 21.116 14.913 209 HG1 THR 30 HG1 THR 30 7.792 20.346 14.532 210 1HG2 THR 30 1HG2 THR 30 7.407 21.679 12.603 211 2HG2 THR 30 2HG2 THR 30 5.700 21.221 12.706 212 3HG2 THR 30 3HG2 THR 30 6.205 22.917 12.775 213 H GLY 31 H GLY 31 5.022 22.635 17.360 214 1HA GLY 31 1HA GLY 31 6.316 23.654 19.494 215 2HA GLY 31 2HA GLY 31 5.519 22.087 19.550 216 H SER 32 H SER 32 6.983 20.366 18.172 217 HA SER 32 HA SER 32 9.265 20.027 19.920 218 1HB SER 32 1HB SER 32 8.013 18.068 19.178 219 2HB SER 32 2HB SER 32 8.324 18.478 17.478 220 HG SER 32 HG SER 32 10.394 17.969 19.358 221 H SER 33 H SER 33 8.894 20.472 16.351 222 HA SER 33 HA SER 33 10.647 22.355 15.834 223 1HB SER 33 1HB SER 33 12.149 19.953 16.700 224 2HB SER 33 2HB SER 33 12.692 20.552 15.151 225 HG SER 33 HG SER 33 13.531 21.487 17.325 226 H TYR 34 H TYR 34 10.620 18.883 14.857 227 HA TYR 34 HA TYR 34 10.807 19.323 12.172 228 1HB TYR 34 1HB TYR 34 9.366 17.105 13.661 229 2HB TYR 34 2HB TYR 34 9.943 17.000 12.010 230 HD1 TYR 34 HD1 TYR 34 10.874 16.905 15.558 231 HD2 TYR 34 HD2 TYR 34 12.383 16.875 11.549 232 HE1 TYR 34 HE1 TYR 34 13.103 16.078 16.393 233 HE2 TYR 34 HE2 TYR 34 14.611 16.043 12.409 234 HH TYR 34 HH TYR 34 15.837 15.619 14.171 235 HA PRO 35 HA PRO 35 10.131 18.485 10.334 236 1HB PRO 35 1HB PRO 35 9.475 19.748 7.973 237 2HB PRO 35 2HB PRO 35 8.896 18.150 8.462 238 1HG PRO 35 1HG PRO 35 7.426 20.717 8.410 239 2HG PRO 35 2HG PRO 35 6.809 19.058 8.434 240 1HD PRO 35 1HD PRO 35 6.948 20.903 10.621 241 2HD PRO 35 2HD PRO 35 6.429 19.215 10.712 242 H HIS 36 H HIS 36 11.870 19.571 8.997 243 HA HIS 36 HA HIS 36 12.182 22.397 9.669 244 1HB HIS 36 1HB HIS 36 14.455 22.002 10.561 245 2HB HIS 36 2HB HIS 36 13.172 21.410 11.606 246 HD1 HIS 36 HD1 HIS 36 16.369 20.450 11.027 247 HD2 HIS 36 HD2 HIS 36 12.755 18.437 10.302 248 HE1 HIS 36 HE1 HIS 36 16.919 17.927 10.978 249 HE2 HIS 36 HE2 HIS 36 14.647 16.753 10.563 250 H TRP 37 H TRP 37 14.236 23.283 8.616 251 HA TRP 37 HA TRP 37 14.110 22.524 5.835 252 1HB TRP 37 1HB TRP 37 14.518 24.784 6.294 253 2HB TRP 37 2HB TRP 37 15.805 24.424 7.427 254 HD1 TRP 37 HD1 TRP 37 15.176 23.730 3.672 255 HE1 TRP 37 HE1 TRP 37 17.363 24.317 2.346 256 HE3 TRP 37 HE3 TRP 37 18.042 25.058 7.602 257 HZ2 TRP 37 HZ2 TRP 37 19.994 25.168 2.986 258 HZ3 TRP 37 HZ3 TRP 37 20.417 25.743 7.245 259 HH2 TRP 37 HH2 TRP 37 21.369 25.741 4.994 260 H PHE 38 H PHE 38 14.987 20.781 5.015 261 HA PHE 38 HA PHE 38 17.152 19.414 6.353 262 1HB PHE 38 1HB PHE 38 15.264 18.126 5.450 263 2HB PHE 38 2HB PHE 38 15.410 18.893 3.900 264 HD1 PHE 38 HD1 PHE 38 18.190 17.529 5.974 265 HD2 PHE 38 HD2 PHE 38 15.784 17.064 2.469 266 HE1 PHE 38 HE1 PHE 38 19.698 15.714 5.172 267 HE2 PHE 38 HE2 PHE 38 17.281 15.239 1.669 268 HZ PHE 38 HZ PHE 38 19.220 14.575 3.026 269 H THR 39 H THR 39 18.668 21.223 5.980 270 HA THR 39 HA THR 39 19.557 22.386 3.744 271 HB THR 39 HB THR 39 21.832 22.255 4.733 272 HG1 THR 39 HG1 THR 39 22.053 20.740 6.508 273 1HG2 THR 39 1HG2 THR 39 19.523 22.983 6.212 274 2HG2 THR 39 2HG2 THR 39 20.518 22.120 7.349 275 3HG2 THR 39 3HG2 THR 39 21.201 23.505 6.501 276 H ASN 40 H ASN 40 20.004 18.935 4.480 277 HA ASN 40 HA ASN 40 20.420 17.189 3.133 278 1HB ASN 40 1HB ASN 40 18.822 18.416 1.520 279 2HB ASN 40 2HB ASN 40 20.268 19.051 0.741 280 1HD2 ASN 40 1HD2 ASN 40 19.787 18.091 -1.160 281 2HD2 ASN 40 2HD2 ASN 40 20.024 16.371 -1.427 282 H GLY 41 H GLY 41 22.377 19.641 3.781 283 1HA GLY 41 1HA GLY 41 24.763 19.006 3.876 284 2HA GLY 41 2HA GLY 41 24.642 18.658 2.130 285 H TYR 42 H TYR 42 22.884 20.894 1.490 286 HA TYR 42 HA TYR 42 24.686 22.826 0.752 287 1HB TYR 42 1HB TYR 42 21.729 22.886 1.468 288 2HB TYR 42 2HB TYR 42 22.499 24.286 0.801 289 HD1 TYR 42 HD1 TYR 42 23.042 24.423 -1.486 290 HD2 TYR 42 HD2 TYR 42 21.514 20.770 0.045 291 HE1 TYR 42 HE1 TYR 42 22.624 23.582 -3.871 292 HE2 TYR 42 HE2 TYR 42 21.098 19.930 -2.259 293 HH TYR 42 HH TYR 42 20.952 20.554 -4.454 294 H ASP 43 H ASP 43 24.561 25.195 1.451 295 HA ASP 43 HA ASP 43 25.172 25.263 4.310 296 1HB ASP 43 1HB ASP 43 26.058 26.712 1.900 297 2HB ASP 43 2HB ASP 43 25.534 27.830 3.121 298 H GLY 44 H GLY 44 23.103 26.812 1.855 299 1HA GLY 44 1HA GLY 44 20.925 27.263 3.599 300 2HA GLY 44 2HA GLY 44 21.854 28.741 3.480 301 H ASP 45 H ASP 45 22.675 28.856 0.882 302 HA ASP 45 HA ASP 45 20.155 29.315 -0.489 303 1HB ASP 45 1HB ASP 45 23.061 30.028 -0.862 304 2HB ASP 45 2HB ASP 45 22.096 29.930 -2.313 305 H GLY 46 H GLY 46 23.087 28.247 -2.146 306 1HA GLY 46 1HA GLY 46 21.964 25.620 -2.770 307 2HA GLY 46 2HA GLY 46 22.184 26.730 -4.111 308 H LYS 47 H LYS 47 24.309 26.627 -1.242 309 HA LYS 47 HA LYS 47 26.421 25.391 -2.926 310 1HB LYS 47 1HB LYS 47 27.161 27.530 -0.945 311 2HB LYS 47 2HB LYS 47 27.955 27.016 -2.438 312 1HG LYS 47 1HG LYS 47 25.786 27.992 -3.624 313 2HG LYS 47 2HG LYS 47 25.536 28.810 -2.080 314 1HD LYS 47 1HD LYS 47 28.180 29.398 -2.548 315 2HD LYS 47 2HD LYS 47 27.607 29.205 -4.209 316 1HE LYS 47 1HE LYS 47 27.306 31.521 -3.682 317 2HE LYS 47 2HE LYS 47 25.687 30.808 -3.613 318 1HZ LYS 47 1HZ LYS 47 26.262 32.248 -1.682 319 2HZ LYS 47 2HZ LYS 47 25.831 30.729 -1.241 320 3HZ LYS 47 3HZ LYS 47 27.415 31.156 -1.231 321 H LEU 48 H LEU 48 27.873 24.047 -1.864 322 HA LEU 48 HA LEU 48 26.918 23.240 0.828 323 1HB LEU 48 1HB LEU 48 28.530 21.611 -1.146 324 2HB LEU 48 2HB LEU 48 27.784 21.052 0.310 325 HG LEU 48 HG LEU 48 25.836 22.252 -1.578 326 1HD1 LEU 48 1HD1 LEU 48 25.995 19.806 -2.745 327 2HD1 LEU 48 2HD1 LEU 48 26.743 21.261 -3.386 328 3HD1 LEU 48 3HD1 LEU 48 27.707 20.101 -2.444 329 1HD2 LEU 48 1HD2 LEU 48 25.830 20.449 0.590 330 2HD2 LEU 48 2HD2 LEU 48 24.480 21.058 -0.406 331 3HD2 LEU 48 3HD2 LEU 48 25.238 19.553 -0.788 332 HA PRO 49 HA PRO 49 30.765 24.394 2.481 333 1HB PRO 49 1HB PRO 49 31.066 22.523 4.544 334 2HB PRO 49 2HB PRO 49 30.028 23.965 4.610 335 1HG PRO 49 1HG PRO 49 29.277 21.129 4.290 336 2HG PRO 49 2HG PRO 49 28.273 22.493 4.832 337 1HD PRO 49 1HD PRO 49 28.266 21.306 2.245 338 2HD PRO 49 2HD PRO 49 27.383 22.719 2.753 339 H LYS 50 H LYS 50 32.885 23.180 3.515 340 HA LYS 50 HA LYS 50 34.084 22.007 1.194 341 1HB LYS 50 1HB LYS 50 35.539 23.363 2.357 342 2HB LYS 50 2HB LYS 50 35.021 22.777 3.932 343 1HG LYS 50 1HG LYS 50 37.304 21.963 3.288 344 2HG LYS 50 2HG LYS 50 36.210 20.656 3.611 345 1HD LYS 50 1HD LYS 50 35.938 20.098 1.303 346 2HD LYS 50 2HD LYS 50 36.482 21.681 0.769 347 1HE LYS 50 1HE LYS 50 38.518 20.773 0.477 348 2HE LYS 50 2HE LYS 50 38.660 20.708 2.238 349 1HZ LYS 50 1HZ LYS 50 37.121 18.534 1.390 350 2HZ LYS 50 2HZ LYS 50 38.478 18.569 0.459 351 3HZ LYS 50 3HZ LYS 50 38.600 18.505 2.104 352 H GLY 51 H GLY 51 33.084 20.105 0.673 353 1HA GLY 51 1HA GLY 51 33.280 17.745 0.713 354 2HA GLY 51 2HA GLY 51 33.787 17.809 2.414 355 H ARG 52 H ARG 52 31.045 17.909 0.168 356 HA ARG 52 HA ARG 52 29.386 16.897 2.282 357 1HB ARG 52 1HB ARG 52 29.249 19.691 1.441 358 2HB ARG 52 2HB ARG 52 27.736 18.890 1.021 359 1HG ARG 52 1HG ARG 52 29.013 19.077 3.768 360 2HG ARG 52 2HG ARG 52 27.471 19.738 3.270 361 1HD ARG 52 1HD ARG 52 26.379 17.860 3.776 362 2HD ARG 52 2HD ARG 52 27.415 16.918 2.765 363 HE ARG 52 HE ARG 52 28.757 17.611 5.219 364 1HH1 ARG 52 2HH2 ARG 52 26.425 15.411 3.848 365 2HH1 ARG 52 1HH2 ARG 52 26.697 14.174 5.017 366 1HH2 ARG 52 2HH1 ARG 52 29.100 16.005 6.768 367 2HH2 ARG 52 1HH1 ARG 52 28.230 14.518 6.694 368 H THR 53 H THR 53 27.835 15.507 1.520 369 HA THR 53 HA THR 53 27.440 15.443 -1.402 370 HB THR 53 HB THR 53 28.245 13.237 0.443 371 HG1 THR 53 HG1 THR 53 29.974 13.583 -0.804 372 1HG2 THR 53 1HG2 THR 53 26.994 13.029 -2.335 373 2HG2 THR 53 2HG2 THR 53 27.839 11.708 -1.490 374 3HG2 THR 53 3HG2 THR 53 26.316 12.339 -0.842 375 HA PRO 54 HA PRO 54 23.319 15.646 0.296 376 1HB PRO 54 1HB PRO 54 22.134 16.585 -2.057 377 2HB PRO 54 2HB PRO 54 22.852 17.630 -0.818 378 1HG PRO 54 1HG PRO 54 23.896 16.940 -3.486 379 2HG PRO 54 2HG PRO 54 24.327 18.297 -2.415 380 1HD PRO 54 1HD PRO 54 25.802 15.874 -2.849 381 2HD PRO 54 2HD PRO 54 26.181 17.172 -1.702 382 H ILE 55 H ILE 55 21.300 14.577 -0.111 383 HA ILE 55 HA ILE 55 21.811 11.963 -1.226 384 HB ILE 55 HB ILE 55 19.161 13.037 -0.208 385 1HG1 ILE 55 1HG1 ILE 55 21.599 12.084 1.368 386 2HG1 ILE 55 2HG1 ILE 55 20.720 13.597 1.515 387 1HG2 ILE 55 1HG2 ILE 55 18.993 10.896 -1.281 388 2HG2 ILE 55 2HG2 ILE 55 20.429 10.267 -0.424 389 3HG2 ILE 55 3HG2 ILE 55 18.948 10.605 0.450 390 1HD1 ILE 55 1HD1 ILE 55 19.942 10.891 2.494 391 2HD1 ILE 55 2HD1 ILE 55 19.835 12.482 3.273 392 3HD1 ILE 55 3HD1 ILE 55 18.683 12.046 2.021 393 H LYS 56 H LYS 56 21.426 11.312 -3.239 394 HA LYS 56 HA LYS 56 20.039 13.185 -5.048 395 1HB LYS 56 1HB LYS 56 22.239 12.453 -5.746 396 2HB LYS 56 2HB LYS 56 21.808 10.754 -5.554 397 1HG LYS 56 1HG LYS 56 21.331 10.868 -7.797 398 2HG LYS 56 2HG LYS 56 19.815 11.535 -7.285 399 1HD LYS 56 1HD LYS 56 20.337 13.270 -8.649 400 2HD LYS 56 2HD LYS 56 21.264 13.841 -7.270 401 1HE LYS 56 1HE LYS 56 22.991 13.869 -8.772 402 2HE LYS 56 2HE LYS 56 23.121 12.157 -8.344 403 1HZ LYS 56 1HZ LYS 56 21.887 11.569 -10.261 404 2HZ LYS 56 2HZ LYS 56 21.421 13.125 -10.559 405 3HZ LYS 56 3HZ LYS 56 22.984 12.682 -10.783 406 H PHE 57 H PHE 57 18.115 12.799 -5.901 407 HA PHE 57 HA PHE 57 16.782 10.225 -5.222 408 1HB PHE 57 1HB PHE 57 15.489 12.900 -5.925 409 2HB PHE 57 2HB PHE 57 14.737 11.517 -5.141 410 HD1 PHE 57 HD1 PHE 57 16.892 14.489 -4.715 411 HD2 PHE 57 HD2 PHE 57 15.157 11.087 -2.783 412 HE1 PHE 57 HE1 PHE 57 17.415 15.491 -2.502 413 HE2 PHE 57 HE2 PHE 57 15.682 12.131 -0.525 414 HZ PHE 57 HZ PHE 57 16.818 14.303 -0.426 415 H GLY 58 H GLY 58 16.848 12.847 -7.689 416 1HA GLY 58 1HA GLY 58 17.335 11.977 -10.010 417 2HA GLY 58 2HA GLY 58 15.994 10.857 -9.732 418 H LYS 59 H LYS 59 15.108 13.554 -8.047 419 HA LYS 59 HA LYS 59 13.443 14.490 -10.304 420 1HB LYS 59 1HB LYS 59 13.211 14.797 -7.272 421 2HB LYS 59 2HB LYS 59 12.174 15.641 -8.413 422 1HG LYS 59 1HG LYS 59 10.827 13.811 -8.370 423 2HG LYS 59 2HG LYS 59 12.024 13.043 -9.396 424 1HD LYS 59 1HD LYS 59 12.994 12.790 -6.693 425 2HD LYS 59 2HD LYS 59 11.283 12.418 -6.644 426 1HE LYS 59 1HE LYS 59 12.907 11.217 -8.894 427 2HE LYS 59 2HE LYS 59 13.221 10.610 -7.265 428 1HZ LYS 59 1HZ LYS 59 11.494 9.298 -8.078 429 2HZ LYS 59 2HZ LYS 59 10.707 10.382 -7.115 430 3HZ LYS 59 3HZ LYS 59 10.674 10.562 -8.748 431 H SER 60 H SER 60 13.619 16.420 -11.211 432 HA SER 60 HA SER 60 16.005 17.896 -10.711 433 1HB SER 60 1HB SER 60 14.913 17.774 -12.925 434 2HB SER 60 2HB SER 60 13.521 18.664 -12.296 435 HG SER 60 HG SER 60 15.600 20.133 -11.676 436 H ASP 61 H ASP 61 12.997 17.805 -9.113 437 HA ASP 61 HA ASP 61 13.015 20.579 -8.284 438 1HB ASP 61 1HB ASP 61 11.279 18.191 -7.511 439 2HB ASP 61 2HB ASP 61 11.069 19.818 -6.870 440 H CYS 62 H CYS 62 13.413 17.285 -6.884 441 HA CYS 62 HA CYS 62 14.193 18.347 -4.293 442 1HB CYS 62 1HB CYS 62 12.927 16.133 -4.822 443 2HB CYS 62 2HB CYS 62 14.532 15.473 -5.192 444 H ASP 63 H ASP 63 15.656 18.126 -7.274 445 HA ASP 63 HA ASP 63 18.341 17.607 -6.180 446 1HB ASP 63 1HB ASP 63 17.861 16.345 -8.179 447 2HB ASP 63 2HB ASP 63 17.233 17.796 -8.997 448 H ARG 64 H ARG 64 16.215 20.056 -7.685 449 HA ARG 64 HA ARG 64 18.091 21.900 -8.422 450 1HB ARG 64 1HB ARG 64 16.246 23.145 -8.842 451 2HB ARG 64 2HB ARG 64 15.321 21.796 -8.212 452 1HG ARG 64 1HG ARG 64 15.497 22.780 -5.896 453 2HG ARG 64 2HG ARG 64 16.139 24.221 -6.658 454 1HD ARG 64 1HD ARG 64 13.469 23.523 -6.326 455 2HD ARG 64 2HD ARG 64 14.164 24.979 -7.068 456 HE ARG 64 HE ARG 64 14.349 23.492 -9.163 457 1HH1 ARG 64 2HH2 ARG 64 11.742 23.386 -6.885 458 2HH1 ARG 64 1HH2 ARG 64 10.567 22.855 -8.041 459 1HH2 ARG 64 2HH1 ARG 64 12.848 22.796 -10.683 460 2HH2 ARG 64 1HH1 ARG 64 11.217 22.507 -10.202 461 HA PRO 65 HA PRO 65 19.664 23.617 -4.775 462 1HB PRO 65 1HB PRO 65 19.807 26.354 -5.300 463 2HB PRO 65 2HB PRO 65 20.957 25.110 -5.863 464 1HG PRO 65 1HG PRO 65 18.853 26.536 -7.401 465 2HG PRO 65 2HG PRO 65 20.297 25.668 -7.998 466 1HD PRO 65 1HD PRO 65 17.603 24.756 -7.993 467 2HD PRO 65 2HD PRO 65 19.024 23.834 -8.476 468 HA PRO 66 HA PRO 66 16.212 24.890 -2.357 469 1HB PRO 66 1HB PRO 66 17.527 25.065 0.108 470 2HB PRO 66 2HB PRO 66 16.954 23.539 -0.612 471 1HG PRO 66 1HG PRO 66 19.715 24.513 -0.366 472 2HG PRO 66 2HG PRO 66 19.104 22.856 -0.644 473 1HD PRO 66 1HD PRO 66 20.207 24.650 -2.587 474 2HD PRO 66 2HD PRO 66 19.507 23.051 -2.862 475 H LYS 67 H LYS 67 15.605 26.613 -0.701 476 HA LYS 67 HA LYS 67 17.261 29.049 -1.074 477 1HB LYS 67 1HB LYS 67 15.620 29.028 -2.933 478 2HB LYS 67 2HB LYS 67 14.303 28.871 -1.794 479 1HG LYS 67 1HG LYS 67 14.250 31.160 -1.828 480 2HG LYS 67 2HG LYS 67 15.631 31.076 -0.741 481 1HD LYS 67 1HD LYS 67 17.160 31.042 -2.754 482 2HD LYS 67 2HD LYS 67 15.731 31.327 -3.767 483 1HE LYS 67 1HE LYS 67 15.263 33.414 -2.398 484 2HE LYS 67 2HE LYS 67 16.779 33.127 -1.530 485 1HZ LYS 67 1HZ LYS 67 17.535 34.448 -3.195 486 2HZ LYS 67 2HZ LYS 67 17.686 33.028 -3.980 487 3HZ LYS 67 3HZ LYS 67 16.379 33.997 -4.285 488 H HIS 68 H HIS 68 17.797 28.370 1.148 489 HA HIS 68 HA HIS 68 15.575 28.606 3.080 490 1HB HIS 68 1HB HIS 68 17.315 26.943 3.399 491 2HB HIS 68 2HB HIS 68 18.561 28.166 3.439 492 HD1 HIS 68 HD1 HIS 68 18.831 29.631 5.543 493 HD2 HIS 68 HD2 HIS 68 15.777 26.744 5.775 494 HE1 HIS 68 HE1 HIS 68 18.115 29.475 8.026 495 HE2 HIS 68 HE2 HIS 68 16.171 27.683 8.070 496 H SER 69 H SER 69 15.595 30.166 4.789 497 HA SER 69 HA SER 69 17.195 32.588 4.320 498 1HB SER 69 1HB SER 69 14.405 32.336 3.634 499 2HB SER 69 2HB SER 69 14.555 33.437 4.990 500 HG SER 69 HG SER 69 14.794 34.568 3.069 501 H LYS 70 H LYS 70 16.240 34.257 6.174 502 HA LYS 70 HA LYS 70 16.798 32.776 8.661 503 1HB LYS 70 1HB LYS 70 17.480 35.386 7.621 504 2HB LYS 70 2HB LYS 70 16.539 35.638 9.063 505 1HG LYS 70 1HG LYS 70 18.496 35.337 10.148 506 2HG LYS 70 2HG LYS 70 18.128 33.625 9.989 507 1HD LYS 70 1HD LYS 70 19.435 33.525 7.868 508 2HD LYS 70 2HD LYS 70 19.784 35.250 7.994 509 1HE LYS 70 1HE LYS 70 20.443 33.619 10.419 510 2HE LYS 70 2HE LYS 70 21.409 33.253 8.984 511 1HZ LYS 70 1HZ LYS 70 21.843 35.326 10.679 512 2HZ LYS 70 2HZ LYS 70 22.465 35.193 9.154 513 3HZ LYS 70 3HZ LYS 70 21.089 36.059 9.415 514 H ASP 71 H ASP 71 14.621 31.734 8.204 515 HA ASP 71 HA ASP 71 12.815 32.654 10.148 516 1HB ASP 71 1HB ASP 71 12.473 33.893 7.506 517 2HB ASP 71 2HB ASP 71 11.094 32.876 7.859 518 H GLY 72 H GLY 72 13.242 31.000 6.986 519 1HA GLY 72 1HA GLY 72 13.129 28.515 7.266 520 2HA GLY 72 2HA GLY 72 11.514 28.777 7.938 521 H ASN 73 H ASN 73 9.881 29.746 6.534 522 HA ASN 73 HA ASN 73 10.388 29.199 3.678 523 1HB ASN 73 1HB ASN 73 7.842 28.942 3.641 524 2HB ASN 73 2HB ASN 73 8.718 27.632 4.389 525 1HD2 ASN 73 1HD2 ASN 73 6.048 29.306 4.689 526 2HD2 ASN 73 2HD2 ASN 73 5.859 29.365 6.453 527 H GLY 74 H GLY 74 11.272 31.580 4.310 528 1HA GLY 74 1HA GLY 74 9.438 33.719 4.642 529 2HA GLY 74 2HA GLY 74 11.064 33.829 3.919 530 H LYS 75 H LYS 75 11.113 34.487 1.868 531 HA LYS 75 HA LYS 75 8.940 35.188 0.325 532 1HB LYS 75 1HB LYS 75 11.736 34.250 -0.475 533 2HB LYS 75 2HB LYS 75 10.551 34.780 -1.673 534 1HG LYS 75 1HG LYS 75 10.411 36.812 0.251 535 2HG LYS 75 2HG LYS 75 12.121 36.380 0.277 536 1HD LYS 75 1HD LYS 75 12.349 36.808 -2.097 537 2HD LYS 75 2HD LYS 75 10.600 36.918 -2.322 538 1HE LYS 75 1HE LYS 75 11.771 38.792 -0.301 539 2HE LYS 75 2HE LYS 75 12.235 39.097 -1.981 540 1HZ LYS 75 1HZ LYS 75 9.412 38.663 -1.259 541 2HZ LYS 75 2HZ LYS 75 10.090 40.156 -1.124 542 3HZ LYS 75 3HZ LYS 75 10.024 39.413 -2.591 543 H THR 76 H THR 76 10.770 32.387 -0.866 544 HA THR 76 HA THR 76 8.345 30.749 -0.791 545 HB THR 76 HB THR 76 8.638 32.310 -2.994 546 HG1 THR 76 HG1 THR 76 7.092 30.915 -3.684 547 1HG2 THR 76 1HG2 THR 76 9.820 31.362 -4.776 548 2HG2 THR 76 2HG2 THR 76 10.856 30.810 -3.449 549 3HG2 THR 76 3HG2 THR 76 9.613 29.731 -4.121 550 H ASP 77 H ASP 77 10.968 30.700 0.540 551 HA ASP 77 HA ASP 77 12.913 29.268 -0.366 552 1HB ASP 77 1HB ASP 77 11.372 28.476 2.137 553 2HB ASP 77 2HB ASP 77 13.029 28.063 1.817 554 H HIS 78 H HIS 78 12.759 27.753 -1.996 555 HA HIS 78 HA HIS 78 10.743 25.643 -1.706 556 1HB HIS 78 1HB HIS 78 11.305 25.103 -4.055 557 2HB HIS 78 2HB HIS 78 10.642 26.711 -3.825 558 HD1 HIS 78 HD1 HIS 78 13.697 24.894 -4.967 559 HD2 HIS 78 HD2 HIS 78 12.520 28.835 -4.081 560 HE1 HIS 78 HE1 HIS 78 15.469 26.450 -6.034 561 HE2 HIS 78 HE2 HIS 78 14.738 28.843 -5.494 562 H TYR 79 H TYR 79 13.055 25.766 0.016 563 HA TYR 79 HA TYR 79 15.024 23.877 -0.796 564 1HB TYR 79 1HB TYR 79 15.512 23.999 1.637 565 2HB TYR 79 2HB TYR 79 15.477 25.585 0.922 566 HD1 TYR 79 HD1 TYR 79 12.074 24.286 1.287 567 HD2 TYR 79 HD2 TYR 79 15.222 26.268 3.443 568 HE1 TYR 79 HE1 TYR 79 10.460 25.066 2.826 569 HE2 TYR 79 HE2 TYR 79 13.531 26.943 5.121 570 HH TYR 79 HH TYR 79 10.679 27.350 4.702 571 H LEU 80 H LEU 80 15.373 22.108 1.104 572 HA LEU 80 HA LEU 80 12.965 20.375 0.818 573 1HB LEU 80 1HB LEU 80 15.937 19.921 0.833 574 2HB LEU 80 2HB LEU 80 14.954 18.722 1.638 575 HG LEU 80 HG LEU 80 13.886 19.493 -1.020 576 1HD1 LEU 80 1HD1 LEU 80 15.602 18.223 -2.269 577 2HD1 LEU 80 2HD1 LEU 80 16.247 19.693 -1.552 578 3HD1 LEU 80 3HD1 LEU 80 16.599 18.116 -0.809 579 1HD2 LEU 80 1HD2 LEU 80 13.125 17.389 -0.986 580 2HD2 LEU 80 2HD2 LEU 80 14.665 16.748 -0.389 581 3HD2 LEU 80 3HD2 LEU 80 13.448 17.479 0.711 582 H LEU 81 H LEU 81 12.117 19.275 2.583 583 HA LEU 81 HA LEU 81 13.185 20.059 5.201 584 1HB LEU 81 1HB LEU 81 10.246 20.180 4.521 585 2HB LEU 81 2HB LEU 81 10.977 20.642 6.028 586 HG LEU 81 HG LEU 81 12.070 22.181 3.730 587 1HD1 LEU 81 1HD1 LEU 81 10.213 22.471 2.667 588 2HD1 LEU 81 2HD1 LEU 81 9.164 21.889 3.984 589 3HD1 LEU 81 3HD1 LEU 81 9.733 23.537 4.008 590 1HD2 LEU 81 1HD2 LEU 81 10.792 23.689 5.823 591 2HD2 LEU 81 2HD2 LEU 81 11.872 22.512 6.464 592 3HD2 LEU 81 3HD2 LEU 81 12.469 23.641 5.257 593 H GLU 82 H GLU 82 13.497 18.351 6.440 594 HA GLU 82 HA GLU 82 12.276 15.824 5.564 595 1HB GLU 82 1HB GLU 82 13.942 14.737 6.913 596 2HB GLU 82 2HB GLU 82 14.777 16.056 6.061 597 1HG GLU 82 1HG GLU 82 13.719 16.413 8.855 598 2HG GLU 82 2HG GLU 82 15.239 15.631 8.578 599 H PHE 83 H PHE 83 11.396 14.324 7.182 600 HA PHE 83 HA PHE 83 10.414 15.613 9.616 601 1HB PHE 83 1HB PHE 83 8.817 16.040 7.693 602 2HB PHE 83 2HB PHE 83 8.611 14.321 7.611 603 HD1 PHE 83 HD1 PHE 83 6.828 13.298 8.697 604 HD2 PHE 83 HD2 PHE 83 8.409 17.002 10.152 605 HE1 PHE 83 HE1 PHE 83 5.040 13.459 10.429 606 HE2 PHE 83 HE2 PHE 83 6.593 17.121 11.869 607 HZ PHE 83 HZ PHE 83 4.921 15.318 11.922 608 HA PRO 84 HA PRO 84 11.233 11.401 10.806 609 1HB PRO 84 1HB PRO 84 10.754 11.709 13.531 610 2HB PRO 84 2HB PRO 84 12.291 12.081 12.739 611 1HG PRO 84 1HG PRO 84 10.221 13.948 13.742 612 2HG PRO 84 2HG PRO 84 11.935 14.248 13.372 613 1HD PRO 84 1HD PRO 84 9.641 14.929 11.773 614 2HD PRO 84 2HD PRO 84 11.343 15.116 11.336 615 H THR 85 H THR 85 9.876 9.930 10.144 616 HA THR 85 HA THR 85 7.157 10.010 11.314 617 HB THR 85 HB THR 85 6.871 10.371 8.992 618 HG1 THR 85 HG1 THR 85 7.024 7.554 9.248 619 1HG2 THR 85 1HG2 THR 85 9.233 8.510 8.688 620 2HG2 THR 85 2HG2 THR 85 8.047 8.606 7.384 621 3HG2 THR 85 3HG2 THR 85 8.924 10.064 7.895 622 H PHE 86 H PHE 86 6.647 8.497 12.682 623 HA PHE 86 HA PHE 86 8.452 6.264 13.027 624 1HB PHE 86 1HB PHE 86 5.807 7.037 14.350 625 2HB PHE 86 2HB PHE 86 6.888 5.799 14.959 626 HD1 PHE 86 HD1 PHE 86 5.920 9.096 15.396 627 HD2 PHE 86 HD2 PHE 86 9.458 6.676 15.224 628 HE1 PHE 86 HE1 PHE 86 7.185 10.736 16.799 629 HE2 PHE 86 HE2 PHE 86 10.669 8.360 16.564 630 HZ PHE 86 HZ PHE 86 9.522 10.428 17.315 631 HA PRO 87 HA PRO 87 6.061 3.296 10.866 632 1HB PRO 87 1HB PRO 87 6.593 0.989 12.350 633 2HB PRO 87 2HB PRO 87 7.700 1.734 11.181 634 1HG PRO 87 1HG PRO 87 7.898 1.730 14.111 635 2HG PRO 87 2HG PRO 87 9.165 2.014 12.882 636 1HD PRO 87 1HD PRO 87 7.780 3.965 14.453 637 2HD PRO 87 2HD PRO 87 8.947 4.262 13.172 638 H ASP 88 H ASP 88 5.679 3.072 14.420 639 HA ASP 88 HA ASP 88 3.469 1.687 14.748 640 1HB ASP 88 1HB ASP 88 3.537 4.428 15.938 641 2HB ASP 88 2HB ASP 88 2.980 2.952 16.690 642 H GLY 89 H GLY 89 3.724 4.820 13.171 643 1HA GLY 89 1HA GLY 89 2.284 5.638 11.572 644 2HA GLY 89 2HA GLY 89 0.979 4.601 12.203 645 H HIS 90 H HIS 90 2.183 5.709 14.940 646 HA HIS 90 HA HIS 90 0.072 7.547 15.376 647 1HB HIS 90 1HB HIS 90 0.958 7.824 17.567 648 2HB HIS 90 2HB HIS 90 1.146 6.130 17.124 649 HD1 HIS 90 HD1 HIS 90 3.415 5.165 17.799 650 HD2 HIS 90 HD2 HIS 90 3.559 9.305 16.973 651 HE1 HIS 90 HE1 HIS 90 5.805 5.897 18.195 652 HE2 HIS 90 HE2 HIS 90 5.913 8.404 17.633 653 H ASP 91 H ASP 91 -0.097 9.759 14.969 654 HA ASP 91 HA ASP 91 1.863 11.003 13.497 655 1HB ASP 91 1HB ASP 91 0.405 13.014 14.411 656 2HB ASP 91 2HB ASP 91 -0.142 11.987 13.103 657 H TYR 92 H TYR 92 3.881 11.123 14.508 658 HA TYR 92 HA TYR 92 4.605 11.430 17.039 659 1HB TYR 92 1HB TYR 92 6.167 11.457 15.137 660 2HB TYR 92 2HB TYR 92 5.516 12.909 14.535 661 HD1 TYR 92 HD1 TYR 92 6.440 12.220 18.124 662 HD2 TYR 92 HD2 TYR 92 7.400 14.334 14.496 663 HE1 TYR 92 HE1 TYR 92 8.165 13.553 19.349 664 HE2 TYR 92 HE2 TYR 92 9.103 15.673 15.770 665 HH TYR 92 HH TYR 92 10.003 16.068 17.782 666 H LYS 93 H LYS 93 4.716 12.980 18.660 667 HA LYS 93 HA LYS 93 2.837 15.159 18.415 668 1HB LYS 93 1HB LYS 93 3.512 15.563 20.770 669 2HB LYS 93 2HB LYS 93 2.750 14.012 20.470 670 1HG LYS 93 1HG LYS 93 4.812 12.798 20.587 671 2HG LYS 93 2HG LYS 93 5.792 14.256 20.452 672 1HD LYS 93 1HD LYS 93 4.104 13.378 22.824 673 2HD LYS 93 2HD LYS 93 5.843 13.551 22.758 674 1HE LYS 93 1HE LYS 93 5.579 15.592 23.622 675 2HE LYS 93 2HE LYS 93 5.083 16.083 22.005 676 1HZ LYS 93 1HZ LYS 93 2.891 16.037 22.610 677 2HZ LYS 93 2HZ LYS 93 3.064 14.883 23.765 678 3HZ LYS 93 3HZ LYS 93 3.532 16.449 24.051 679 H PHE 94 H PHE 94 4.313 15.867 16.514 680 HA PHE 94 HA PHE 94 6.689 17.323 17.290 681 1HB PHE 94 1HB PHE 94 6.530 18.028 14.840 682 2HB PHE 94 2HB PHE 94 6.656 16.329 15.103 683 HD1 PHE 94 HD1 PHE 94 4.345 19.021 14.149 684 HD2 PHE 94 HD2 PHE 94 4.887 14.829 14.547 685 HE1 PHE 94 HE1 PHE 94 2.244 18.616 12.845 686 HE2 PHE 94 HE2 PHE 94 2.767 14.388 13.294 687 HZ PHE 94 HZ PHE 94 1.473 16.305 12.432 688 H ASP 95 H ASP 95 3.390 17.900 17.561 689 HA ASP 95 HA ASP 95 3.604 20.761 16.999 690 1HB ASP 95 1HB ASP 95 1.523 18.860 16.799 691 2HB ASP 95 2HB ASP 95 1.119 19.743 18.264 692 H SER 96 H SER 96 3.330 18.418 19.637 693 HA SER 96 HA SER 96 2.887 20.466 21.639 694 1HB SER 96 1HB SER 96 2.571 17.637 21.497 695 2HB SER 96 2HB SER 96 3.776 17.972 22.746 696 HG SER 96 HG SER 96 2.091 19.639 23.437 697 H LYS 97 H LYS 97 4.566 21.835 21.879 698 HA LYS 97 HA LYS 97 7.286 21.139 21.551 699 1HB LYS 97 1HB LYS 97 7.750 23.324 22.161 700 2HB LYS 97 2HB LYS 97 6.064 23.474 21.678 701 1HG LYS 97 1HG LYS 97 5.355 23.303 24.039 702 2HG LYS 97 2HG LYS 97 7.047 23.107 24.530 703 1HD LYS 97 1HD LYS 97 6.946 25.453 22.941 704 2HD LYS 97 2HD LYS 97 5.609 25.519 24.098 705 1HE LYS 97 1HE LYS 97 7.761 24.535 25.636 706 2HE LYS 97 2HE LYS 97 8.547 25.666 24.536 707 1HZ LYS 97 1HZ LYS 97 6.380 27.040 25.294 708 2HZ LYS 97 2HZ LYS 97 6.681 26.198 26.670 709 3HZ LYS 97 3HZ LYS 97 7.845 27.180 26.023 710 H LYS 98 H LYS 98 5.322 21.376 24.516 711 HA LYS 98 HA LYS 98 7.202 19.558 25.714 712 1HB LYS 98 1HB LYS 98 7.562 20.738 27.685 713 2HB LYS 98 2HB LYS 98 7.863 21.835 26.340 714 1HG LYS 98 1HG LYS 98 5.502 22.732 26.620 715 2HG LYS 98 2HG LYS 98 5.340 21.708 28.060 716 1HD LYS 98 1HD LYS 98 7.356 22.822 29.035 717 2HD LYS 98 2HD LYS 98 7.338 23.958 27.675 718 1HE LYS 98 1HE LYS 98 5.218 24.882 28.328 719 2HE LYS 98 2HE LYS 98 4.845 23.503 29.362 720 1HZ LYS 98 1HZ LYS 98 7.080 24.359 30.503 721 2HZ LYS 98 2HZ LYS 98 6.511 25.804 29.951 722 3HZ LYS 98 3HZ LYS 98 5.597 24.882 30.954 723 HA PRO 99 HA PRO 99 7.309 18.144 27.034 724 1HB PRO 99 1HB PRO 99 6.740 15.463 27.028 725 2HB PRO 99 2HB PRO 99 6.845 16.509 28.469 726 1HG PRO 99 1HG PRO 99 4.438 15.381 27.141 727 2HG PRO 99 2HG PRO 99 4.624 16.001 28.804 728 1HD PRO 99 1HD PRO 99 3.404 17.339 26.562 729 2HD PRO 99 2HD PRO 99 3.689 18.007 28.186 730 H LYS 100 H LYS 100 8.467 16.276 25.692 731 HA LYS 100 HA LYS 100 7.373 16.243 22.948 732 1HB LYS 100 1HB LYS 100 9.328 17.033 21.954 733 2HB LYS 100 2HB LYS 100 8.966 18.159 23.223 734 1HG LYS 100 1HG LYS 100 10.868 17.751 24.379 735 2HG LYS 100 2HG LYS 100 10.726 16.052 24.252 736 1HD LYS 100 1HD LYS 100 12.654 16.438 23.020 737 2HD LYS 100 2HD LYS 100 11.420 16.195 21.786 738 1HE LYS 100 1HE LYS 100 12.870 18.165 21.292 739 2HE LYS 100 2HE LYS 100 11.170 18.631 21.485 740 1HZ LYS 100 1HZ LYS 100 13.016 18.720 23.765 741 2HZ LYS 100 2HZ LYS 100 12.931 19.991 22.713 742 3HZ LYS 100 3HZ LYS 100 11.596 19.521 23.564 743 H GLU 101 H GLU 101 7.943 14.435 21.740 744 HA GLU 101 HA GLU 101 9.040 12.273 23.417 745 1HB GLU 101 1HB GLU 101 6.857 11.770 22.510 746 2HB GLU 101 2HB GLU 101 7.348 12.246 20.887 747 1HG GLU 101 1HG GLU 101 7.346 9.837 20.995 748 2HG GLU 101 2HG GLU 101 8.993 10.334 20.902 749 H ASN 102 H ASN 102 10.601 10.821 22.544 750 HA ASN 102 HA ASN 102 12.801 11.989 21.429 751 1HB ASN 102 1HB ASN 102 11.883 9.245 21.946 752 2HB ASN 102 2HB ASN 102 12.834 9.304 20.475 753 1HD2 ASN 102 1HD2 ASN 102 12.847 9.575 23.874 754 2HD2 ASN 102 2HD2 ASN 102 14.593 9.768 24.091 755 HA PRO 103 HA PRO 103 11.860 12.359 17.151 756 1HB PRO 103 1HB PRO 103 14.455 12.331 16.071 757 2HB PRO 103 2HB PRO 103 13.681 13.725 16.837 758 1HG PRO 103 1HG PRO 103 15.804 11.925 17.881 759 2HG PRO 103 2HG PRO 103 15.377 13.584 18.390 760 1HD PRO 103 1HD PRO 103 14.707 11.123 19.675 761 2HD PRO 103 2HD PRO 103 14.188 12.754 20.147 762 H GLY 104 H GLY 104 13.272 11.309 14.956 763 1HA GLY 104 1HA GLY 104 13.165 8.415 15.343 764 2HA GLY 104 2HA GLY 104 12.067 9.130 14.153 765 HA PRO 105 HA PRO 105 16.433 8.579 12.438 766 1HB PRO 105 1HB PRO 105 16.305 5.995 11.380 767 2HB PRO 105 2HB PRO 105 17.035 6.420 12.941 768 1HG PRO 105 1HG PRO 105 14.479 5.081 12.400 769 2HG PRO 105 2HG PRO 105 15.416 5.079 13.891 770 1HD PRO 105 1HD PRO 105 13.040 6.603 13.324 771 2HD PRO 105 2HD PRO 105 14.073 6.696 14.763 772 H ALA 106 H ALA 106 14.108 6.441 10.742 773 HA ALA 106 HA ALA 106 14.605 7.622 8.249 774 1HB ALA 106 1HB ALA 106 12.686 6.320 7.508 775 2HB ALA 106 2HB ALA 106 13.719 5.397 8.603 776 3HB ALA 106 3HB ALA 106 12.180 6.140 9.178 777 H ARG 107 H ARG 107 13.681 9.263 7.126 778 HA ARG 107 HA ARG 107 11.353 10.580 8.301 779 1HB ARG 107 1HB ARG 107 13.876 12.130 7.505 780 2HB ARG 107 2HB ARG 107 12.438 12.801 8.179 781 1HG ARG 107 1HG ARG 107 13.025 11.013 10.165 782 2HG ARG 107 2HG ARG 107 14.591 11.276 9.499 783 1HD ARG 107 1HD ARG 107 13.648 13.863 9.715 784 2HD ARG 107 2HD ARG 107 12.840 13.091 11.027 785 HE ARG 107 HE ARG 107 14.777 12.971 12.220 786 1HH1 ARG 107 2HH2 ARG 107 15.536 13.115 8.834 787 2HH1 ARG 107 1HH2 ARG 107 17.233 13.210 9.017 788 1HH2 ARG 107 2HH1 ARG 107 17.012 13.084 12.533 789 2HH2 ARG 107 1HH1 ARG 107 18.088 13.206 11.200 790 H VAL 108 H VAL 108 10.141 11.839 6.825 791 HA VAL 108 HA VAL 108 10.517 10.970 4.056 792 HB VAL 108 HB VAL 108 8.323 10.814 5.013 793 1HG1 VAL 108 1HG1 VAL 108 8.643 13.747 5.647 794 2HG1 VAL 108 2HG1 VAL 108 7.105 12.967 5.539 795 3HG1 VAL 108 3HG1 VAL 108 8.246 12.392 6.742 796 1HG2 VAL 108 1HG2 VAL 108 8.329 13.141 3.060 797 2HG2 VAL 108 2HG2 VAL 108 8.604 11.444 2.616 798 3HG2 VAL 108 3HG2 VAL 108 7.048 11.935 3.314 799 H ILE 109 H ILE 109 11.443 12.124 2.507 800 HA ILE 109 HA ILE 109 12.067 14.972 3.112 801 HB ILE 109 HB ILE 109 13.430 12.967 1.292 802 1HG1 ILE 109 1HG1 ILE 109 14.079 12.392 3.460 803 2HG1 ILE 109 2HG1 ILE 109 15.340 13.522 2.909 804 1HG2 ILE 109 1HG2 ILE 109 13.539 15.118 0.331 805 2HG2 ILE 109 2HG2 ILE 109 14.083 15.852 1.871 806 3HG2 ILE 109 3HG2 ILE 109 15.127 14.744 0.973 807 1HD1 ILE 109 1HD1 ILE 109 13.907 15.323 4.081 808 2HD1 ILE 109 2HD1 ILE 109 13.158 13.932 4.898 809 3HD1 ILE 109 3HD1 ILE 109 14.876 14.198 5.054 810 H TYR 110 H TYR 110 11.535 16.598 1.777 811 HA TYR 110 HA TYR 110 10.475 16.095 -0.847 812 1HB TYR 110 1HB TYR 110 8.167 16.704 -0.317 813 2HB TYR 110 2HB TYR 110 8.608 15.347 0.691 814 HD1 TYR 110 HD1 TYR 110 8.280 15.447 3.024 815 HD2 TYR 110 HD2 TYR 110 8.476 19.092 0.794 816 HE1 TYR 110 HE1 TYR 110 7.622 16.770 5.058 817 HE2 TYR 110 HE2 TYR 110 7.859 20.402 2.796 818 HH TYR 110 HH TYR 110 7.779 18.979 5.915 819 H THR 111 H THR 111 10.010 18.045 -1.968 820 HA THR 111 HA THR 111 11.415 20.358 -0.818 821 HB THR 111 HB THR 111 11.722 20.998 -3.035 822 HG1 THR 111 HG1 THR 111 9.209 19.714 -3.368 823 1HG2 THR 111 1HG2 THR 111 10.959 18.144 -3.730 824 2HG2 THR 111 2HG2 THR 111 12.260 19.132 -4.357 825 3HG2 THR 111 3HG2 THR 111 12.369 18.448 -2.730 826 H TYR 112 H TYR 112 10.518 22.515 -0.966 827 HA TYR 112 HA TYR 112 7.640 22.435 -0.452 828 1HB TYR 112 1HB TYR 112 8.668 23.126 1.467 829 2HB TYR 112 2HB TYR 112 9.941 23.996 0.604 830 HD1 TYR 112 HD1 TYR 112 7.129 24.413 2.615 831 HD2 TYR 112 HD2 TYR 112 8.980 26.101 -0.838 832 HE1 TYR 112 HE1 TYR 112 5.863 26.560 2.951 833 HE2 TYR 112 HE2 TYR 112 7.790 28.220 -0.507 834 HH TYR 112 HH TYR 112 5.181 28.502 1.694 835 HA PRO 113 HA PRO 113 6.222 24.020 0.003 836 1HB PRO 113 1HB PRO 113 3.814 24.608 -1.155 837 2HB PRO 113 2HB PRO 113 4.839 25.784 -0.295 838 1HG PRO 113 1HG PRO 113 4.376 25.496 -3.215 839 2HG PRO 113 2HG PRO 113 4.984 26.904 -2.304 840 1HD PRO 113 1HD PRO 113 6.533 25.043 -3.871 841 2HD PRO 113 2HD PRO 113 7.149 26.360 -2.862 842 H ASN 114 H ASN 114 5.092 23.218 -3.268 843 HA ASN 114 HA ASN 114 3.575 21.067 -2.759 844 1HB ASN 114 1HB ASN 114 4.398 22.046 -5.059 845 2HB ASN 114 2HB ASN 114 5.736 20.922 -4.911 846 1HD2 ASN 114 1HD2 ASN 114 4.991 19.910 -6.804 847 2HD2 ASN 114 2HD2 ASN 114 3.644 18.780 -6.751 848 H LYS 115 H LYS 115 3.973 19.467 -1.296 849 HA LYS 115 HA LYS 115 6.573 18.642 -0.537 850 1HB LYS 115 1HB LYS 115 3.786 17.986 0.134 851 2HB LYS 115 2HB LYS 115 4.819 16.591 0.289 852 1HG LYS 115 1HG LYS 115 5.987 17.405 2.012 853 2HG LYS 115 2HG LYS 115 5.932 19.080 1.417 854 1HD LYS 115 1HD LYS 115 3.754 17.568 2.881 855 2HD LYS 115 2HD LYS 115 4.740 18.841 3.519 856 1HE LYS 115 1HE LYS 115 3.169 20.340 2.740 857 2HE LYS 115 2HE LYS 115 3.749 19.960 1.125 858 1HZ LYS 115 1HZ LYS 115 1.483 19.498 1.083 859 2HZ LYS 115 2HZ LYS 115 2.167 18.010 1.287 860 3HZ LYS 115 3HZ LYS 115 1.491 18.784 2.583 861 H VAL 116 H VAL 116 7.411 18.356 -2.693 862 HA VAL 116 HA VAL 116 6.537 16.159 -4.316 863 HB VAL 116 HB VAL 116 9.005 17.904 -4.309 864 1HG1 VAL 116 1HG1 VAL 116 8.935 16.661 -6.819 865 2HG1 VAL 116 2HG1 VAL 116 10.049 16.302 -5.487 866 3HG1 VAL 116 3HG1 VAL 116 8.569 15.348 -5.697 867 1HG2 VAL 116 1HG2 VAL 116 7.433 19.271 -5.177 868 2HG2 VAL 116 2HG2 VAL 116 7.786 18.408 -6.658 869 3HG2 VAL 116 3HG2 VAL 116 6.377 17.933 -5.688 870 H PHE 117 H PHE 117 6.429 14.660 -2.451 871 HA PHE 117 HA PHE 117 8.298 13.664 -0.848 872 1HB PHE 117 1HB PHE 117 6.101 12.642 -1.045 873 2HB PHE 117 2HB PHE 117 6.385 12.244 -2.740 874 HD1 PHE 117 HD1 PHE 117 7.842 11.537 0.628 875 HD2 PHE 117 HD2 PHE 117 6.980 10.078 -3.305 876 HE1 PHE 117 HE1 PHE 117 8.690 9.279 1.285 877 HE2 PHE 117 HE2 PHE 117 7.800 7.814 -2.652 878 HZ PHE 117 HZ PHE 117 8.684 7.477 -0.372 879 H CYS 118 H CYS 118 10.446 13.519 -1.219 880 HA CYS 118 HA CYS 118 11.419 12.635 -3.798 881 1HB CYS 118 1HB CYS 118 13.120 13.150 -1.351 882 2HB CYS 118 2HB CYS 118 13.545 13.222 -3.049 883 H GLY 119 H GLY 119 11.389 11.527 -0.369 884 1HA GLY 119 1HA GLY 119 10.920 8.878 -0.754 885 2HA GLY 119 2HA GLY 119 12.674 9.007 -0.988 886 H ILE 120 H ILE 120 13.280 7.907 0.873 887 HA ILE 120 HA ILE 120 12.648 9.348 3.396 888 HB ILE 120 HB ILE 120 12.917 6.363 3.180 889 1HG1 ILE 120 1HG1 ILE 120 10.794 7.562 1.979 890 2HG1 ILE 120 2HG1 ILE 120 10.791 6.061 2.741 891 1HG2 ILE 120 1HG2 ILE 120 11.772 8.123 5.379 892 2HG2 ILE 120 2HG2 ILE 120 11.978 6.355 5.415 893 3HG2 ILE 120 3HG2 ILE 120 13.372 7.460 5.418 894 1HD1 ILE 120 1HD1 ILE 120 10.036 8.638 4.062 895 2HD1 ILE 120 2HD1 ILE 120 8.914 7.406 3.410 896 3HD1 ILE 120 3HD1 ILE 120 9.905 7.012 4.804 897 H ILE 121 H ILE 121 14.329 9.565 4.836 898 HA ILE 121 HA ILE 121 16.930 8.464 3.933 899 HB ILE 121 HB ILE 121 18.034 10.522 4.156 900 1HG1 ILE 121 1HG1 ILE 121 15.515 11.779 5.314 901 2HG1 ILE 121 2HG1 ILE 121 16.904 11.238 6.263 902 1HG2 ILE 121 1HG2 ILE 121 16.921 10.409 2.075 903 2HG2 ILE 121 2HG2 ILE 121 15.386 10.978 2.735 904 3HG2 ILE 121 3HG2 ILE 121 16.751 12.060 2.627 905 1HD1 ILE 121 1HD1 ILE 121 17.374 13.473 5.986 906 2HD1 ILE 121 2HD1 ILE 121 18.263 12.743 4.612 907 3HD1 ILE 121 3HD1 ILE 121 16.776 13.558 4.367 908 H ALA 122 H ALA 122 18.526 8.314 5.634 909 HA ALA 122 HA ALA 122 17.870 8.829 8.355 910 1HB ALA 122 1HB ALA 122 17.870 5.891 7.817 911 2HB ALA 122 2HB ALA 122 17.148 6.775 9.177 912 3HB ALA 122 3HB ALA 122 16.355 6.783 7.610 913 H HIS 123 H HIS 123 19.637 8.350 9.731 914 HA HIS 123 HA HIS 123 22.106 7.897 8.242 915 1HB HIS 123 1HB HIS 123 21.962 8.619 11.192 916 2HB HIS 123 2HB HIS 123 23.222 8.945 10.046 917 HD1 HIS 123 HD1 HIS 123 23.271 11.284 9.071 918 HD2 HIS 123 HD2 HIS 123 19.481 10.144 10.589 919 HE1 HIS 123 HE1 HIS 123 21.766 13.363 8.939 920 HE2 HIS 123 HE2 HIS 123 19.440 12.617 9.772 921 H THR 124 H THR 124 22.307 5.761 7.860 922 HA THR 124 HA THR 124 22.020 3.928 10.178 923 HB THR 124 HB THR 124 20.819 3.597 7.905 924 HG1 THR 124 HG1 THR 124 22.549 1.677 9.086 925 1HG2 THR 124 1HG2 THR 124 22.007 3.051 6.053 926 2HG2 THR 124 2HG2 THR 124 23.441 3.673 6.866 927 3HG2 THR 124 3HG2 THR 124 23.054 1.955 6.956 928 H LYS 125 H LYS 125 24.149 5.558 10.419 929 HA LYS 125 HA LYS 125 26.456 3.811 9.649 930 1HB LYS 125 1HB LYS 125 26.544 6.030 8.614 931 2HB LYS 125 2HB LYS 125 26.394 6.806 10.189 932 1HG LYS 125 1HG LYS 125 28.628 6.675 10.476 933 2HG LYS 125 2HG LYS 125 28.576 4.925 10.397 934 1HD LYS 125 1HD LYS 125 28.807 4.875 8.008 935 2HD LYS 125 2HD LYS 125 28.670 6.639 7.923 936 1HE LYS 125 1HE LYS 125 30.727 6.567 9.621 937 2HE LYS 125 2HE LYS 125 30.961 4.946 8.957 938 1HZ LYS 125 1HZ LYS 125 32.141 6.766 7.744 939 2HZ LYS 125 2HZ LYS 125 31.146 5.884 6.774 940 3HZ LYS 125 3HZ LYS 125 30.694 7.375 7.266 941 H GLU 126 H GLU 126 24.601 5.270 12.244 942 HA GLU 126 HA GLU 126 25.665 3.527 14.139 943 1HB GLU 126 1HB GLU 126 27.388 5.772 13.678 944 2HB GLU 126 2HB GLU 126 26.570 6.121 15.174 945 1HG GLU 126 1HG GLU 126 27.785 3.381 14.674 946 2HG GLU 126 2HG GLU 126 28.758 4.729 15.255 947 H ASN 127 H ASN 127 24.817 7.008 14.292 948 HA ASN 127 HA ASN 127 22.152 6.374 15.231 949 1HB ASN 127 1HB ASN 127 23.502 6.253 17.330 950 2HB ASN 127 2HB ASN 127 24.161 7.858 16.997 951 1HD2 ASN 127 1HD2 ASN 127 23.327 8.501 19.022 952 2HD2 ASN 127 2HD2 ASN 127 21.624 8.924 19.193 953 H GLN 128 H GLN 128 24.714 8.823 14.764 954 HA GLN 128 HA GLN 128 22.926 10.427 13.189 955 1HB GLN 128 1HB GLN 128 22.240 11.432 15.173 956 2HB GLN 128 2HB GLN 128 23.822 11.275 15.946 957 1HG GLN 128 1HG GLN 128 24.666 13.175 14.953 958 2HG GLN 128 2HG GLN 128 23.720 12.993 13.475 959 1HE2 GLN 128 1HE2 GLN 128 24.207 14.918 15.964 960 2HE2 GLN 128 2HE2 GLN 128 22.612 15.637 16.149 961 H GLY 129 H GLY 129 24.555 9.627 11.675 962 1HA GLY 129 1HA GLY 129 27.003 11.365 11.742 963 2HA GLY 129 2HA GLY 129 27.070 9.659 11.292 964 H GLU 130 H GLU 130 26.652 9.092 9.198 965 HA GLU 130 HA GLU 130 26.221 11.290 7.335 966 1HB GLU 130 1HB GLU 130 27.424 8.617 7.267 967 2HB GLU 130 2HB GLU 130 26.283 8.825 5.940 968 1HG GLU 130 1HG GLU 130 27.395 10.992 5.332 969 2HG GLU 130 2HG GLU 130 28.551 10.744 6.646 970 H LEU 131 H LEU 131 24.532 11.377 5.761 971 HA LEU 131 HA LEU 131 22.167 9.806 6.552 972 1HB LEU 131 1HB LEU 131 22.228 12.340 6.993 973 2HB LEU 131 2HB LEU 131 22.143 12.563 5.276 974 HG LEU 131 HG LEU 131 19.977 11.660 5.136 975 1HD1 LEU 131 1HD1 LEU 131 19.875 9.735 6.195 976 2HD1 LEU 131 2HD1 LEU 131 20.551 10.321 7.681 977 3HD1 LEU 131 3HD1 LEU 131 18.868 10.683 7.299 978 1HD2 LEU 131 1HD2 LEU 131 18.849 12.812 7.327 979 2HD2 LEU 131 2HD2 LEU 131 20.444 13.575 7.390 980 3HD2 LEU 131 3HD2 LEU 131 19.526 13.743 5.975 981 H LYS 132 H LYS 132 21.058 8.716 5.024 982 HA LYS 132 HA LYS 132 21.799 9.129 2.202 983 1HB LYS 132 1HB LYS 132 21.973 6.614 1.997 984 2HB LYS 132 2HB LYS 132 23.334 7.450 2.713 985 1HG LYS 132 1HG LYS 132 22.559 6.853 4.999 986 2HG LYS 132 2HG LYS 132 21.129 6.064 4.322 987 1HD LYS 132 1HD LYS 132 23.994 5.264 3.611 988 2HD LYS 132 2HD LYS 132 23.130 4.577 4.958 989 1HE LYS 132 1HE LYS 132 21.862 4.596 2.203 990 2HE LYS 132 2HE LYS 132 23.046 3.352 2.619 991 1HZ LYS 132 1HZ LYS 132 21.631 2.418 4.106 992 2HZ LYS 132 2HZ LYS 132 20.878 3.824 4.500 993 3HZ LYS 132 3HZ LYS 132 20.486 3.051 3.098 994 H LEU 133 H LEU 133 20.351 7.599 0.838 995 HA LEU 133 HA LEU 133 17.621 8.159 1.765 996 1HB LEU 133 1HB LEU 133 18.646 8.704 -0.577 997 2HB LEU 133 2HB LEU 133 18.415 7.029 -0.913 998 HG LEU 133 HG LEU 133 15.921 7.517 -0.111 999 1HD1 LEU 133 1HD1 LEU 133 15.536 9.997 -1.089 1000 2HD1 LEU 133 2HD1 LEU 133 15.686 9.650 0.593 1001 3HD1 LEU 133 3HD1 LEU 133 17.076 10.239 -0.314 1002 1HD2 LEU 133 1HD2 LEU 133 15.410 7.298 -2.260 1003 2HD2 LEU 133 2HD2 LEU 133 16.249 8.793 -2.743 1004 3HD2 LEU 133 3HD2 LEU 133 17.140 7.287 -2.585 1005 H CYS 134 H CYS 134 16.062 6.562 2.043 1006 HA CYS 134 HA CYS 134 16.999 4.024 2.921 1007 1HB CYS 134 1HB CYS 134 14.159 4.940 2.431 1008 2HB CYS 134 2HB CYS 134 14.649 3.575 3.369 1009 H SER 135 H SER 135 15.322 2.139 2.072 1010 HA SER 135 HA SER 135 15.062 2.240 -0.841 1011 1HB SER 135 1HB SER 135 16.812 0.035 0.305 1012 2HB SER 135 2HB SER 135 16.580 0.507 -1.382 1013 HG SER 135 HG SER 135 18.228 1.810 -1.123 1014 H HIS 136 H HIS 136 12.852 1.931 -0.300 1015 HA HIS 136 HA HIS 136 11.720 0.068 1.370 1016 1HB HIS 136 1HB HIS 136 9.951 -0.045 -0.566 1017 2HB HIS 136 2HB HIS 136 10.107 1.406 0.375 1018 HD1 HIS 136 HD1 HIS 136 12.721 0.676 -2.196 1019 HD2 HIS 136 HD2 HIS 136 9.244 2.987 -1.770 1020 HE1 HIS 136 HE1 HIS 136 12.693 2.381 -4.181 1021 HE2 HIS 136 HE2 HIS 136 10.470 3.715 -3.905 Start of MODEL 24 1 1H ALA 1 H1 ALA 1 1.329 0.960 0.379 2 2H ALA 1 H2 ALA 1 1.775 -0.614 0.665 3 3H ALA 1 H3 ALA 1 0.390 -0.297 -0.175 4 HA ALA 1 HA ALA 1 2.908 -0.703 -1.152 5 1HB ALA 1 1HB ALA 1 0.875 -1.509 -2.224 6 2HB ALA 1 2HB ALA 1 0.273 0.146 -2.392 7 3HB ALA 1 3HB ALA 1 1.727 -0.406 -3.295 8 H VAL 2 H VAL 2 3.594 0.742 -3.173 9 HA VAL 2 HA VAL 2 3.912 3.496 -2.096 10 HB VAL 2 HB VAL 2 5.973 2.240 -2.195 11 1HG1 VAL 2 1HG1 VAL 2 5.037 1.593 -4.936 12 2HG1 VAL 2 2HG1 VAL 2 6.794 1.651 -4.520 13 3HG1 VAL 2 3HG1 VAL 2 5.738 0.518 -3.742 14 1HG2 VAL 2 1HG2 VAL 2 5.968 4.666 -2.761 15 2HG2 VAL 2 2HG2 VAL 2 7.299 3.776 -3.521 16 3HG2 VAL 2 3HG2 VAL 2 5.921 4.234 -4.463 17 H THR 3 H THR 3 4.196 5.134 -3.868 18 HA THR 3 HA THR 3 1.971 4.929 -5.685 19 HB THR 3 HB THR 3 3.796 7.324 -5.375 20 HG1 THR 3 HG1 THR 3 3.283 7.239 -3.308 21 1HG2 THR 3 1HG2 THR 3 1.855 7.433 -6.926 22 2HG2 THR 3 2HG2 THR 3 0.769 6.921 -5.631 23 3HG2 THR 3 3HG2 THR 3 1.599 8.458 -5.465 24 H TRP 4 H TRP 4 2.181 4.125 -7.691 25 HA TRP 4 HA TRP 4 4.833 3.875 -8.853 26 1HB TRP 4 1HB TRP 4 2.106 2.986 -9.808 27 2HB TRP 4 2HB TRP 4 3.626 2.673 -10.549 28 HD1 TRP 4 HD1 TRP 4 2.349 2.139 -6.982 29 HE1 TRP 4 HE1 TRP 4 3.005 -0.247 -6.188 30 HE3 TRP 4 HE3 TRP 4 4.705 0.598 -11.143 31 HZ2 TRP 4 HZ2 TRP 4 4.408 -2.485 -7.257 32 HZ3 TRP 4 HZ3 TRP 4 5.679 -1.658 -11.297 33 HH2 TRP 4 HH2 TRP 4 5.518 -3.213 -9.372 34 H THR 5 H THR 5 5.574 5.039 -10.605 35 HA THR 5 HA THR 5 3.767 7.068 -11.695 36 HB THR 5 HB THR 5 6.293 7.402 -10.213 37 HG1 THR 5 HG1 THR 5 4.310 8.300 -9.643 38 1HG2 THR 5 1HG2 THR 5 6.715 9.555 -11.570 39 2HG2 THR 5 2HG2 THR 5 7.287 8.040 -12.301 40 3HG2 THR 5 3HG2 THR 5 5.779 8.820 -12.859 41 H CYS 6 H CYS 6 3.841 7.468 -13.796 42 HA CYS 6 HA CYS 6 5.941 6.059 -15.382 43 1HB CYS 6 1HB CYS 6 3.159 5.237 -15.201 44 2HB CYS 6 2HB CYS 6 3.501 5.834 -16.785 45 H GLY 7 H GLY 7 2.876 7.761 -16.224 46 1HA GLY 7 1HA GLY 7 4.337 9.511 -18.041 47 2HA GLY 7 2HA GLY 7 2.571 9.446 -17.794 48 H GLY 8 H GLY 8 5.347 9.961 -15.527 49 1HA GLY 8 1HA GLY 8 5.777 11.656 -14.031 50 2HA GLY 8 2HA GLY 8 4.977 12.756 -15.188 51 H LEU 9 H LEU 9 2.979 10.156 -14.189 52 HA LEU 9 HA LEU 9 1.567 11.928 -12.300 53 1HB LEU 9 1HB LEU 9 0.361 9.680 -13.897 54 2HB LEU 9 2HB LEU 9 -0.471 10.894 -12.961 55 HG LEU 9 HG LEU 9 1.161 12.180 -14.990 56 1HD1 LEU 9 1HD1 LEU 9 0.822 10.000 -16.197 57 2HD1 LEU 9 2HD1 LEU 9 -0.928 10.290 -16.054 58 3HD1 LEU 9 3HD1 LEU 9 0.036 11.363 -17.007 59 1HD2 LEU 9 1HD2 LEU 9 -0.872 12.988 -13.685 60 2HD2 LEU 9 2HD2 LEU 9 -0.610 13.493 -15.351 61 3HD2 LEU 9 3HD2 LEU 9 -1.798 12.218 -14.994 62 H LEU 10 H LEU 10 0.785 11.048 -10.401 63 HA LEU 10 HA LEU 10 2.228 8.615 -9.546 64 1HB LEU 10 1HB LEU 10 0.955 10.919 -8.014 65 2HB LEU 10 2HB LEU 10 1.558 9.525 -7.279 66 HG LEU 10 HG LEU 10 3.092 11.498 -7.259 67 1HD1 LEU 10 1HD1 LEU 10 3.723 8.679 -7.631 68 2HD1 LEU 10 2HD1 LEU 10 5.003 9.718 -8.271 69 3HD1 LEU 10 3HD1 LEU 10 4.515 9.906 -6.632 70 1HD2 LEU 10 1HD2 LEU 10 4.395 12.031 -9.213 71 2HD2 LEU 10 2HD2 LEU 10 3.689 10.745 -10.102 72 3HD2 LEU 10 3HD2 LEU 10 2.684 12.081 -9.664 73 H TYR 11 H TYR 11 1.181 6.788 -9.395 74 HA TYR 11 HA TYR 11 -1.776 6.782 -9.228 75 1HB TYR 11 1HB TYR 11 0.182 4.782 -10.396 76 2HB TYR 11 2HB TYR 11 -1.569 4.618 -10.403 77 HD1 TYR 11 HD1 TYR 11 1.348 6.035 -12.061 78 HD2 TYR 11 HD2 TYR 11 -2.917 6.291 -11.723 79 HE1 TYR 11 HE1 TYR 11 1.242 7.287 -14.226 80 HE2 TYR 11 HE2 TYR 11 -3.015 7.500 -13.929 81 HH TYR 11 HH TYR 11 -1.873 8.298 -15.607 82 H ASN 12 H ASN 12 -2.392 6.372 -7.195 83 HA ASN 12 HA ASN 12 -0.793 5.103 -5.260 84 1HB ASN 12 1HB ASN 12 -2.696 6.401 -4.511 85 2HB ASN 12 2HB ASN 12 -3.770 5.468 -5.515 86 1HD2 ASN 12 1HD2 ASN 12 -1.183 4.577 -3.279 87 2HD2 ASN 12 2HD2 ASN 12 -2.153 3.525 -2.248 88 H GLN 13 H GLN 13 0.031 3.077 -5.461 89 HA GLN 13 HA GLN 13 -0.865 1.150 -7.110 90 1HB GLN 13 1HB GLN 13 1.180 0.874 -5.816 91 2HB GLN 13 2HB GLN 13 0.339 0.905 -4.360 92 1HG GLN 13 1HG GLN 13 1.143 -1.435 -5.208 93 2HG GLN 13 2HG GLN 13 -0.568 -1.333 -4.775 94 1HE2 GLN 13 1HE2 GLN 13 1.033 0.065 -7.627 95 2HE2 GLN 13 2HE2 GLN 13 0.168 -0.942 -8.786 96 H ASN 14 H ASN 14 -1.897 1.517 -3.704 97 HA ASN 14 HA ASN 14 -3.602 -0.635 -3.472 98 1HB ASN 14 1HB ASN 14 -3.130 1.649 -1.966 99 2HB ASN 14 2HB ASN 14 -4.772 1.928 -2.528 100 1HD2 ASN 14 1HD2 ASN 14 -2.751 -0.158 -0.712 101 2HD2 ASN 14 2HD2 ASN 14 -4.060 -0.979 0.125 102 H LYS 15 H LYS 15 -4.103 2.332 -5.308 103 HA LYS 15 HA LYS 15 -6.844 1.758 -5.965 104 1HB LYS 15 1HB LYS 15 -4.976 4.022 -6.376 105 2HB LYS 15 2HB LYS 15 -6.089 3.787 -7.669 106 1HG LYS 15 1HG LYS 15 -7.855 4.438 -6.385 107 2HG LYS 15 2HG LYS 15 -7.295 3.584 -4.938 108 1HD LYS 15 1HD LYS 15 -5.690 5.383 -4.482 109 2HD LYS 15 2HD LYS 15 -6.120 6.207 -5.930 110 1HE LYS 15 1HE LYS 15 -8.485 6.322 -4.955 111 2HE LYS 15 2HE LYS 15 -7.848 5.598 -3.460 112 1HZ LYS 15 1HZ LYS 15 -6.628 8.041 -4.621 113 2HZ LYS 15 2HZ LYS 15 -7.955 8.157 -3.671 114 3HZ LYS 15 3HZ LYS 15 -6.567 7.495 -3.046 115 H ALA 16 H ALA 16 -3.648 1.435 -7.465 116 HA ALA 16 HA ALA 16 -4.477 0.777 -10.053 117 1HB ALA 16 1HB ALA 16 -2.058 -0.394 -8.678 118 2HB ALA 16 2HB ALA 16 -2.251 0.069 -10.349 119 3HB ALA 16 3HB ALA 16 -2.109 1.327 -9.145 120 H GLU 17 H GLU 17 -4.156 -1.112 -7.063 121 HA GLU 17 HA GLU 17 -4.907 -3.564 -8.430 122 1HB GLU 17 1HB GLU 17 -4.807 -4.455 -6.015 123 2HB GLU 17 2HB GLU 17 -3.317 -4.070 -6.884 124 1HG GLU 17 1HG GLU 17 -2.908 -2.209 -5.613 125 2HG GLU 17 2HG GLU 17 -4.567 -1.962 -5.231 126 H SER 18 H SER 18 -6.195 -1.250 -6.038 127 HA SER 18 HA SER 18 -8.572 -2.675 -5.459 128 1HB SER 18 1HB SER 18 -7.819 -0.932 -3.951 129 2HB SER 18 2HB SER 18 -7.985 0.288 -5.231 130 HG SER 18 HG SER 18 -10.148 -1.232 -4.440 131 H ASN 19 H ASN 19 -8.006 0.222 -7.567 132 HA ASN 19 HA ASN 19 -10.539 0.394 -8.647 133 1HB ASN 19 1HB ASN 19 -8.433 1.983 -8.869 134 2HB ASN 19 2HB ASN 19 -8.178 1.021 -10.318 135 1HD2 ASN 19 1HD2 ASN 19 -9.668 3.626 -8.859 136 2HD2 ASN 19 2HD2 ASN 19 -10.826 4.003 -10.127 137 H SER 20 H SER 20 -7.926 -1.843 -9.185 138 HA SER 20 HA SER 20 -9.026 -2.759 -11.722 139 1HB SER 20 1HB SER 20 -7.093 -4.118 -11.920 140 2HB SER 20 2HB SER 20 -6.609 -2.528 -11.355 141 HG SER 20 HG SER 20 -5.725 -4.565 -10.269 142 H HIS 21 H HIS 21 -9.238 -3.427 -8.364 143 HA HIS 21 HA HIS 21 -9.777 -6.203 -8.441 144 1HB HIS 21 1HB HIS 21 -10.187 -4.049 -6.376 145 2HB HIS 21 2HB HIS 21 -11.086 -5.458 -6.210 146 HD1 HIS 21 HD1 HIS 21 -9.667 -5.798 -3.970 147 HD2 HIS 21 HD2 HIS 21 -7.517 -5.954 -7.609 148 HE1 HIS 21 HE1 HIS 21 -7.369 -6.854 -3.430 149 HE2 HIS 21 HE2 HIS 21 -6.061 -6.956 -5.675 150 H HIS 22 H HIS 22 -11.830 -3.292 -8.820 151 HA HIS 22 HA HIS 22 -14.243 -4.796 -8.879 152 1HB HIS 22 1HB HIS 22 -14.269 -2.152 -10.159 153 2HB HIS 22 2HB HIS 22 -15.230 -2.783 -8.839 154 HD1 HIS 22 HD1 HIS 22 -13.586 0.095 -9.254 155 HD2 HIS 22 HD2 HIS 22 -12.809 -3.161 -6.623 156 HE1 HIS 22 HE1 HIS 22 -12.198 1.023 -7.292 157 HE2 HIS 22 HE2 HIS 22 -11.752 -0.961 -5.679 158 H ALA 23 H ALA 23 -12.002 -3.368 -11.291 159 HA ALA 23 HA ALA 23 -13.287 -3.613 -13.564 160 1HB ALA 23 1HB ALA 23 -11.281 -3.413 -14.510 161 2HB ALA 23 2HB ALA 23 -10.698 -3.252 -12.880 162 3HB ALA 23 3HB ALA 23 -10.603 -4.837 -13.639 163 HA PRO 24 HA PRO 24 -14.506 -7.880 -13.746 164 1HB PRO 24 1HB PRO 24 -15.444 -7.895 -16.403 165 2HB PRO 24 2HB PRO 24 -16.359 -7.328 -14.963 166 1HG PRO 24 1HG PRO 24 -15.077 -5.792 -17.088 167 2HG PRO 24 2HG PRO 24 -16.394 -5.259 -15.983 168 1HD PRO 24 1HD PRO 24 -13.642 -4.576 -15.841 169 2HD PRO 24 2HD PRO 24 -14.882 -4.210 -14.678 170 H LEU 25 H LEU 25 -13.036 -9.441 -13.809 171 HA LEU 25 HA LEU 25 -10.761 -9.357 -15.416 172 1HB LEU 25 1HB LEU 25 -11.704 -10.874 -13.245 173 2HB LEU 25 2HB LEU 25 -11.591 -12.048 -14.544 174 HG LEU 25 HG LEU 25 -9.256 -11.753 -14.774 175 1HD1 LEU 25 1HD1 LEU 25 -8.075 -9.997 -13.341 176 2HD1 LEU 25 2HD1 LEU 25 -8.778 -9.518 -14.799 177 3HD1 LEU 25 3HD1 LEU 25 -9.683 -9.159 -13.340 178 1HD2 LEU 25 1HD2 LEU 25 -8.474 -11.995 -12.414 179 2HD2 LEU 25 2HD2 LEU 25 -10.108 -11.758 -11.879 180 3HD2 LEU 25 3HD2 LEU 25 -9.686 -13.127 -12.916 181 H SER 26 H SER 26 -10.848 -9.196 -17.534 182 HA SER 26 HA SER 26 -11.656 -11.486 -19.032 183 1HB SER 26 1HB SER 26 -13.651 -9.374 -18.576 184 2HB SER 26 2HB SER 26 -13.239 -9.513 -20.300 185 HG SER 26 HG SER 26 -14.891 -10.983 -19.923 186 H ASP 27 H ASP 27 -11.406 -11.011 -21.438 187 HA ASP 27 HA ASP 27 -9.157 -9.145 -21.806 188 1HB ASP 27 1HB ASP 27 -8.554 -11.320 -22.526 189 2HB ASP 27 2HB ASP 27 -10.118 -11.553 -23.201 190 H GLY 28 H GLY 28 -10.946 -7.402 -21.672 191 1HA GLY 28 1HA GLY 28 -11.842 -5.702 -22.966 192 2HA GLY 28 2HA GLY 28 -11.603 -6.683 -24.440 193 H LYS 29 H LYS 29 -13.701 -6.009 -21.705 194 HA LYS 29 HA LYS 29 -16.017 -6.819 -23.242 195 1HB LYS 29 1HB LYS 29 -14.902 -8.558 -21.084 196 2HB LYS 29 2HB LYS 29 -16.608 -8.221 -20.930 197 1HG LYS 29 1HG LYS 29 -16.511 -8.799 -23.616 198 2HG LYS 29 2HG LYS 29 -15.161 -9.772 -23.049 199 1HD LYS 29 1HD LYS 29 -16.615 -11.337 -22.307 200 2HD LYS 29 2HD LYS 29 -17.305 -10.181 -21.179 201 1HE LYS 29 1HE LYS 29 -18.390 -9.406 -23.667 202 2HE LYS 29 2HE LYS 29 -18.374 -11.177 -23.747 203 1HZ LYS 29 1HZ LYS 29 -19.818 -11.319 -21.994 204 2HZ LYS 29 2HZ LYS 29 -19.330 -9.902 -21.286 205 3HZ LYS 29 3HZ LYS 29 -20.329 -9.853 -22.602 206 H THR 30 H THR 30 -14.925 -4.379 -22.203 207 HA THR 30 HA THR 30 -17.163 -3.629 -20.405 208 HB THR 30 HB THR 30 -15.490 -2.072 -19.365 209 HG1 THR 30 HG1 THR 30 -13.565 -2.132 -20.226 210 1HG2 THR 30 1HG2 THR 30 -14.658 -3.586 -17.901 211 2HG2 THR 30 2HG2 THR 30 -15.871 -4.608 -18.698 212 3HG2 THR 30 3HG2 THR 30 -14.185 -4.724 -19.186 213 H GLY 31 H GLY 31 -18.131 -1.669 -20.780 214 1HA GLY 31 1HA GLY 31 -18.655 -0.817 -23.269 215 2HA GLY 31 2HA GLY 31 -18.567 0.295 -21.912 216 H SER 32 H SER 32 -16.306 1.021 -21.275 217 HA SER 32 HA SER 32 -15.254 2.480 -23.409 218 1HB SER 32 1HB SER 32 -14.915 3.021 -20.979 219 2HB SER 32 2HB SER 32 -13.811 1.614 -20.843 220 HG SER 32 HG SER 32 -12.308 2.587 -21.978 221 H SER 33 H SER 33 -13.794 -0.343 -21.744 222 HA SER 33 HA SER 33 -13.159 -1.894 -23.861 223 1HB SER 33 1HB SER 33 -10.653 -1.238 -24.271 224 2HB SER 33 2HB SER 33 -11.889 -0.328 -25.099 225 HG SER 33 HG SER 33 -11.246 1.375 -24.134 226 H TYR 34 H TYR 34 -11.050 -0.320 -21.438 227 HA TYR 34 HA TYR 34 -9.885 -2.627 -20.613 228 1HB TYR 34 1HB TYR 34 -10.224 -0.101 -19.035 229 2HB TYR 34 2HB TYR 34 -8.968 -1.295 -18.831 230 HD1 TYR 34 HD1 TYR 34 -10.247 1.444 -20.936 231 HD2 TYR 34 HD2 TYR 34 -7.041 -1.422 -20.409 232 HE1 TYR 34 HE1 TYR 34 -8.814 2.698 -22.616 233 HE2 TYR 34 HE2 TYR 34 -5.672 -0.146 -22.045 234 HH TYR 34 HH TYR 34 -5.539 1.591 -23.404 235 HA PRO 35 HA PRO 35 -8.971 -3.385 -18.736 236 1HB PRO 35 1HB PRO 35 -9.267 -5.888 -17.682 237 2HB PRO 35 2HB PRO 35 -8.805 -4.437 -16.774 238 1HG PRO 35 1HG PRO 35 -11.157 -6.160 -16.955 239 2HG PRO 35 2HG PRO 35 -10.720 -5.046 -15.727 240 1HD PRO 35 1HD PRO 35 -12.636 -4.678 -17.772 241 2HD PRO 35 2HD PRO 35 -12.120 -3.421 -16.625 242 H HIS 36 H HIS 36 -7.807 -4.623 -20.207 243 HA HIS 36 HA HIS 36 -9.242 -6.524 -21.837 244 1HB HIS 36 1HB HIS 36 -8.786 -5.451 -23.929 245 2HB HIS 36 2HB HIS 36 -9.689 -4.338 -22.914 246 HD1 HIS 36 HD1 HIS 36 -8.183 -3.128 -25.206 247 HD2 HIS 36 HD2 HIS 36 -6.415 -3.739 -21.412 248 HE1 HIS 36 HE1 HIS 36 -6.184 -1.479 -24.997 249 HE2 HIS 36 HE2 HIS 36 -5.121 -1.985 -22.644 250 H TRP 37 H TRP 37 -7.950 -8.012 -22.972 251 HA TRP 37 HA TRP 37 -5.666 -8.842 -21.653 252 1HB TRP 37 1HB TRP 37 -6.648 -10.245 -23.243 253 2HB TRP 37 2HB TRP 37 -6.350 -9.066 -24.547 254 HD1 TRP 37 HD1 TRP 37 -3.792 -10.571 -22.196 255 HE1 TRP 37 HE1 TRP 37 -1.906 -11.537 -23.578 256 HE3 TRP 37 HE3 TRP 37 -5.810 -9.747 -26.713 257 HZ2 TRP 37 HZ2 TRP 37 -1.338 -11.966 -26.340 258 HZ3 TRP 37 HZ3 TRP 37 -4.584 -10.454 -28.782 259 HH2 TRP 37 HH2 TRP 37 -2.379 -11.535 -28.534 260 H PHE 38 H PHE 38 -3.414 -8.613 -22.124 261 HA PHE 38 HA PHE 38 -2.610 -6.127 -23.421 262 1HB PHE 38 1HB PHE 38 -2.566 -5.883 -20.965 263 2HB PHE 38 2HB PHE 38 -1.760 -7.331 -20.769 264 HD1 PHE 38 HD1 PHE 38 -0.807 -4.952 -23.417 265 HD2 PHE 38 HD2 PHE 38 0.105 -6.654 -19.565 266 HE1 PHE 38 HE1 PHE 38 1.422 -3.925 -23.522 267 HE2 PHE 38 HE2 PHE 38 2.385 -5.586 -19.655 268 HZ PHE 38 HZ PHE 38 3.036 -4.283 -21.648 269 H THR 39 H THR 39 -2.265 -7.606 -25.269 270 HA THR 39 HA THR 39 -0.731 -9.795 -25.536 271 HB THR 39 HB THR 39 0.118 -8.668 -27.674 272 HG1 THR 39 HG1 THR 39 -0.695 -6.518 -27.937 273 1HG2 THR 39 1HG2 THR 39 -1.914 -9.192 -28.488 274 2HG2 THR 39 2HG2 THR 39 -2.620 -8.907 -26.867 275 3HG2 THR 39 3HG2 THR 39 -2.536 -7.636 -27.988 276 H ASN 40 H ASN 40 0.528 -6.588 -24.695 277 HA ASN 40 HA ASN 40 2.591 -5.934 -23.980 278 1HB ASN 40 1HB ASN 40 1.951 -7.395 -22.048 279 2HB ASN 40 2HB ASN 40 2.626 -8.761 -22.872 280 1HD2 ASN 40 1HD2 ASN 40 4.225 -9.278 -21.556 281 2HD2 ASN 40 2HD2 ASN 40 5.611 -8.268 -21.192 282 H GLY 41 H GLY 41 2.274 -7.487 -26.576 283 1HA GLY 41 1HA GLY 41 4.126 -7.327 -28.168 284 2HA GLY 41 2HA GLY 41 5.115 -8.171 -26.966 285 H TYR 42 H TYR 42 3.149 -10.073 -26.092 286 HA TYR 42 HA TYR 42 3.597 -12.213 -27.773 287 1HB TYR 42 1HB TYR 42 1.398 -11.597 -25.809 288 2HB TYR 42 2HB TYR 42 1.506 -13.114 -26.539 289 HD1 TYR 42 HD1 TYR 42 3.517 -14.544 -26.135 290 HD2 TYR 42 HD2 TYR 42 2.852 -10.989 -23.877 291 HE1 TYR 42 HE1 TYR 42 5.198 -15.275 -24.341 292 HE2 TYR 42 HE2 TYR 42 4.442 -11.746 -22.150 293 HH TYR 42 HH TYR 42 5.378 -13.917 -21.322 294 H ASP 43 H ASP 43 2.213 -13.453 -29.161 295 HA ASP 43 HA ASP 43 0.660 -11.681 -30.911 296 1HB ASP 43 1HB ASP 43 1.965 -14.333 -31.040 297 2HB ASP 43 2HB ASP 43 0.313 -14.426 -31.645 298 H GLY 44 H GLY 44 0.142 -14.353 -28.658 299 1HA GLY 44 1HA GLY 44 -2.022 -14.079 -27.357 300 2HA GLY 44 2HA GLY 44 -2.805 -14.068 -28.950 301 H ASP 45 H ASP 45 -0.051 -16.088 -27.795 302 HA ASP 45 HA ASP 45 -1.795 -18.451 -27.771 303 1HB ASP 45 1HB ASP 45 -0.045 -17.767 -29.987 304 2HB ASP 45 2HB ASP 45 0.693 -19.097 -29.161 305 H GLY 46 H GLY 46 1.720 -17.844 -27.929 306 1HA GLY 46 1HA GLY 46 1.987 -18.665 -25.114 307 2HA GLY 46 2HA GLY 46 2.907 -19.544 -26.362 308 H LYS 47 H LYS 47 4.154 -18.013 -27.906 309 HA LYS 47 HA LYS 47 5.571 -16.008 -26.237 310 1HB LYS 47 1HB LYS 47 7.496 -16.390 -27.657 311 2HB LYS 47 2HB LYS 47 6.962 -17.884 -26.882 312 1HG LYS 47 1HG LYS 47 5.787 -18.578 -28.954 313 2HG LYS 47 2HG LYS 47 6.212 -17.054 -29.739 314 1HD LYS 47 1HD LYS 47 8.127 -17.946 -30.442 315 2HD LYS 47 2HD LYS 47 8.678 -18.114 -28.765 316 1HE LYS 47 1HE LYS 47 7.773 -20.340 -28.567 317 2HE LYS 47 2HE LYS 47 6.842 -20.170 -30.073 318 1HZ LYS 47 1HZ LYS 47 8.810 -21.439 -30.508 319 2HZ LYS 47 2HZ LYS 47 8.974 -19.968 -31.253 320 3HZ LYS 47 3HZ LYS 47 9.802 -20.276 -29.854 321 H LEU 48 H LEU 48 6.862 -14.666 -28.258 322 HA LEU 48 HA LEU 48 4.607 -13.309 -29.600 323 1HB LEU 48 1HB LEU 48 7.031 -11.704 -29.227 324 2HB LEU 48 2HB LEU 48 5.355 -11.378 -28.903 325 HG LEU 48 HG LEU 48 5.589 -12.723 -26.759 326 1HD1 LEU 48 1HD1 LEU 48 8.210 -13.148 -27.890 327 2HD1 LEU 48 2HD1 LEU 48 8.423 -12.226 -26.412 328 3HD1 LEU 48 3HD1 LEU 48 7.541 -13.747 -26.359 329 1HD2 LEU 48 1HD2 LEU 48 7.345 -10.394 -26.428 330 2HD2 LEU 48 2HD2 LEU 48 5.953 -10.062 -27.287 331 3HD2 LEU 48 3HD2 LEU 48 5.771 -10.793 -25.695 332 HA PRO 49 HA PRO 49 6.581 -13.835 -33.412 333 1HB PRO 49 1HB PRO 49 6.510 -11.280 -34.610 334 2HB PRO 49 2HB PRO 49 5.126 -12.419 -34.476 335 1HG PRO 49 1HG PRO 49 5.642 -9.909 -32.964 336 2HG PRO 49 2HG PRO 49 4.092 -10.793 -33.215 337 1HD PRO 49 1HD PRO 49 5.759 -10.809 -30.914 338 2HD PRO 49 2HD PRO 49 4.295 -11.762 -31.164 339 H LYS 50 H LYS 50 8.428 -13.464 -34.763 340 HA LYS 50 HA LYS 50 10.787 -12.990 -33.241 341 1HB LYS 50 1HB LYS 50 11.131 -14.481 -34.899 342 2HB LYS 50 2HB LYS 50 10.159 -13.629 -36.094 343 1HG LYS 50 1HG LYS 50 11.868 -12.223 -36.757 344 2HG LYS 50 2HG LYS 50 12.615 -12.176 -35.153 345 1HD LYS 50 1HD LYS 50 13.070 -14.778 -35.758 346 2HD LYS 50 2HD LYS 50 13.064 -14.078 -37.378 347 1HE LYS 50 1HE LYS 50 14.595 -12.680 -35.142 348 2HE LYS 50 2HE LYS 50 15.259 -14.180 -35.816 349 1HZ LYS 50 1HZ LYS 50 14.741 -11.630 -37.210 350 2HZ LYS 50 2HZ LYS 50 16.140 -12.525 -37.165 351 3HZ LYS 50 3HZ LYS 50 14.849 -13.043 -38.062 352 H GLY 51 H GLY 51 10.711 -10.989 -32.318 353 1HA GLY 51 1HA GLY 51 12.026 -8.867 -32.862 354 2HA GLY 51 2HA GLY 51 10.834 -8.636 -34.163 355 H ARG 52 H ARG 52 10.780 -9.478 -30.635 356 HA ARG 52 HA ARG 52 9.169 -7.127 -30.127 357 1HB ARG 52 1HB ARG 52 8.052 -9.932 -30.155 358 2HB ARG 52 2HB ARG 52 7.580 -8.921 -28.783 359 1HG ARG 52 1HG ARG 52 7.257 -8.042 -31.670 360 2HG ARG 52 2HG ARG 52 6.005 -8.787 -30.782 361 1HD ARG 52 1HD ARG 52 5.592 -6.973 -29.497 362 2HD ARG 52 2HD ARG 52 7.274 -6.492 -29.395 363 HE ARG 52 HE ARG 52 6.292 -6.137 -32.057 364 1HH1 ARG 52 2HH2 ARG 52 6.206 -4.686 -28.926 365 2HH1 ARG 52 1HH2 ARG 52 5.927 -3.082 -29.494 366 1HH2 ARG 52 2HH1 ARG 52 5.910 -4.044 -32.829 367 2HH2 ARG 52 1HH1 ARG 52 5.751 -2.733 -31.743 368 H THR 53 H THR 53 9.340 -6.409 -28.048 369 HA THR 53 HA THR 53 10.853 -8.122 -26.176 370 HB THR 53 HB THR 53 11.475 -5.354 -27.024 371 HG1 THR 53 HG1 THR 53 12.338 -7.304 -28.030 372 1HG2 THR 53 1HG2 THR 53 12.129 -4.903 -24.889 373 2HG2 THR 53 2HG2 THR 53 11.811 -6.563 -24.354 374 3HG2 THR 53 3HG2 THR 53 13.350 -6.169 -25.112 375 HA PRO 54 HA PRO 54 7.159 -6.757 -23.984 376 1HB PRO 54 1HB PRO 54 7.137 -8.967 -22.226 377 2HB PRO 54 2HB PRO 54 6.363 -8.940 -23.811 378 1HG PRO 54 1HG PRO 54 8.782 -10.357 -23.005 379 2HG PRO 54 2HG PRO 54 7.710 -10.650 -24.367 380 1HD PRO 54 1HD PRO 54 10.253 -9.328 -24.393 381 2HD PRO 54 2HD PRO 54 9.149 -9.497 -25.764 382 H ILE 55 H ILE 55 6.744 -6.551 -21.554 383 HA ILE 55 HA ILE 55 9.119 -5.266 -20.455 384 HB ILE 55 HB ILE 55 6.366 -5.362 -19.171 385 1HG1 ILE 55 1HG1 ILE 55 7.303 -3.570 -21.476 386 2HG1 ILE 55 2HG1 ILE 55 5.987 -4.686 -21.461 387 1HG2 ILE 55 1HG2 ILE 55 8.911 -3.771 -18.877 388 2HG2 ILE 55 2HG2 ILE 55 7.413 -2.907 -18.732 389 3HG2 ILE 55 3HG2 ILE 55 7.690 -4.280 -17.719 390 1HD1 ILE 55 1HD1 ILE 55 5.282 -3.210 -19.340 391 2HD1 ILE 55 2HD1 ILE 55 6.006 -2.055 -20.387 392 3HD1 ILE 55 3HD1 ILE 55 4.698 -2.998 -20.986 393 H LYS 56 H LYS 56 10.498 -6.349 -19.249 394 HA LYS 56 HA LYS 56 9.673 -8.886 -18.002 395 1HB LYS 56 1HB LYS 56 11.742 -8.922 -19.133 396 2HB LYS 56 2HB LYS 56 12.344 -7.452 -18.387 397 1HG LYS 56 1HG LYS 56 13.177 -8.561 -16.600 398 2HG LYS 56 2HG LYS 56 11.670 -9.358 -16.259 399 1HD LYS 56 1HD LYS 56 12.551 -11.288 -16.806 400 2HD LYS 56 2HD LYS 56 12.442 -10.787 -18.474 401 1HE LYS 56 1HE LYS 56 14.769 -9.482 -17.685 402 2HE LYS 56 2HE LYS 56 14.808 -10.941 -16.672 403 1HZ LYS 56 1HZ LYS 56 15.734 -11.764 -18.569 404 2HZ LYS 56 2HZ LYS 56 14.155 -12.016 -18.992 405 3HZ LYS 56 3HZ LYS 56 14.961 -10.696 -19.580 406 H PHE 57 H PHE 57 9.238 -9.172 -15.955 407 HA PHE 57 HA PHE 57 9.507 -6.866 -14.083 408 1HB PHE 57 1HB PHE 57 7.615 -9.201 -13.778 409 2HB PHE 57 2HB PHE 57 7.485 -7.592 -13.095 410 HD1 PHE 57 HD1 PHE 57 7.055 -9.709 -16.138 411 HD2 PHE 57 HD2 PHE 57 6.519 -5.835 -14.397 412 HE1 PHE 57 HE1 PHE 57 5.558 -9.086 -18.020 413 HE2 PHE 57 HE2 PHE 57 4.981 -5.190 -16.332 414 HZ PHE 57 HZ PHE 57 4.542 -6.819 -18.131 415 H GLY 58 H GLY 58 9.395 -10.458 -14.161 416 1HA GLY 58 1HA GLY 58 11.510 -11.486 -13.197 417 2HA GLY 58 2HA GLY 58 11.140 -10.514 -11.754 418 H LYS 59 H LYS 59 8.176 -11.172 -12.895 419 HA LYS 59 HA LYS 59 7.770 -13.267 -10.946 420 1HB LYS 59 1HB LYS 59 6.139 -11.348 -12.460 421 2HB LYS 59 2HB LYS 59 5.383 -12.963 -12.412 422 1HG LYS 59 1HG LYS 59 6.447 -11.557 -9.931 423 2HG LYS 59 2HG LYS 59 4.777 -11.349 -10.503 424 1HD LYS 59 1HD LYS 59 4.315 -13.722 -10.274 425 2HD LYS 59 2HD LYS 59 6.012 -14.092 -9.934 426 1HE LYS 59 1HE LYS 59 5.927 -12.734 -7.860 427 2HE LYS 59 2HE LYS 59 4.214 -12.368 -8.171 428 1HZ LYS 59 1HZ LYS 59 5.339 -15.096 -7.789 429 2HZ LYS 59 2HZ LYS 59 4.483 -14.252 -6.651 430 3HZ LYS 59 3HZ LYS 59 3.742 -14.743 -8.049 431 H SER 60 H SER 60 6.318 -15.157 -11.590 432 HA SER 60 HA SER 60 7.765 -16.492 -13.803 433 1HB SER 60 1HB SER 60 6.397 -17.396 -11.283 434 2HB SER 60 2HB SER 60 6.351 -18.492 -12.662 435 HG SER 60 HG SER 60 8.832 -17.329 -12.033 436 H ASP 61 H ASP 61 4.417 -16.062 -12.479 437 HA ASP 61 HA ASP 61 3.180 -17.204 -14.805 438 1HB ASP 61 1HB ASP 61 2.338 -15.792 -12.283 439 2HB ASP 61 2HB ASP 61 1.253 -15.590 -13.653 440 H CYS 62 H CYS 62 4.004 -13.917 -13.658 441 HA CYS 62 HA CYS 62 2.685 -12.592 -15.906 442 1HB CYS 62 1HB CYS 62 2.868 -11.378 -13.818 443 2HB CYS 62 2HB CYS 62 4.568 -11.657 -13.806 444 H ASP 63 H ASP 63 5.475 -14.426 -15.548 445 HA ASP 63 HA ASP 63 6.854 -13.048 -17.778 446 1HB ASP 63 1HB ASP 63 8.317 -13.473 -16.009 447 2HB ASP 63 2HB ASP 63 7.662 -15.160 -15.794 448 H ARG 64 H ARG 64 5.347 -16.109 -16.758 449 HA ARG 64 HA ARG 64 6.108 -17.730 -18.764 450 1HB ARG 64 1HB ARG 64 4.703 -19.104 -17.854 451 2HB ARG 64 2HB ARG 64 4.389 -17.932 -16.641 452 1HG ARG 64 1HG ARG 64 2.473 -17.025 -17.980 453 2HG ARG 64 2HG ARG 64 2.631 -18.389 -19.046 454 1HD ARG 64 1HD ARG 64 1.052 -18.403 -16.920 455 2HD ARG 64 2HD ARG 64 1.592 -19.797 -17.860 456 HE ARG 64 HE ARG 64 2.537 -19.009 -15.204 457 1HH1 ARG 64 2HH2 ARG 64 3.219 -20.922 -18.009 458 2HH1 ARG 64 1HH2 ARG 64 4.303 -22.012 -17.225 459 1HH2 ARG 64 2HH1 ARG 64 3.946 -20.391 -14.162 460 2HH2 ARG 64 1HH1 ARG 64 4.709 -21.684 -15.009 461 HA PRO 65 HA PRO 65 3.978 -16.429 -22.290 462 1HB PRO 65 1HB PRO 65 3.125 -18.806 -23.458 463 2HB PRO 65 2HB PRO 65 4.790 -18.117 -23.507 464 1HG PRO 65 1HG PRO 65 3.785 -20.425 -22.007 465 2HG PRO 65 2HG PRO 65 5.471 -19.977 -22.475 466 1HD PRO 65 1HD PRO 65 4.209 -19.635 -19.942 467 2HD PRO 65 2HD PRO 65 5.826 -19.087 -20.407 468 HA PRO 66 HA PRO 66 -0.283 -16.261 -21.003 469 1HB PRO 66 1HB PRO 66 -1.122 -14.331 -22.850 470 2HB PRO 66 2HB PRO 66 -0.270 -13.980 -21.291 471 1HG PRO 66 1HG PRO 66 0.812 -13.803 -24.027 472 2HG PRO 66 2HG PRO 66 1.390 -13.045 -22.496 473 1HD PRO 66 1HD PRO 66 2.386 -15.373 -23.784 474 2HD PRO 66 2HD PRO 66 2.899 -14.691 -22.238 475 H LYS 67 H LYS 67 -2.483 -16.459 -21.992 476 HA LYS 67 HA LYS 67 -2.361 -18.006 -24.547 477 1HB LYS 67 1HB LYS 67 -2.394 -19.668 -22.833 478 2HB LYS 67 2HB LYS 67 -3.662 -18.841 -21.921 479 1HG LYS 67 1HG LYS 67 -5.227 -20.013 -23.064 480 2HG LYS 67 2HG LYS 67 -4.750 -19.250 -24.555 481 1HD LYS 67 1HD LYS 67 -2.937 -20.912 -24.882 482 2HD LYS 67 2HD LYS 67 -3.551 -21.777 -23.446 483 1HE LYS 67 1HE LYS 67 -5.750 -22.077 -24.526 484 2HE LYS 67 2HE LYS 67 -5.225 -21.112 -25.924 485 1HZ LYS 67 1HZ LYS 67 -4.386 -22.962 -26.796 486 2HZ LYS 67 2HZ LYS 67 -3.324 -23.111 -25.561 487 3HZ LYS 67 3HZ LYS 67 -4.804 -23.860 -25.464 488 H HIS 68 H HIS 68 -3.821 -17.415 -26.003 489 HA HIS 68 HA HIS 68 -6.126 -15.767 -25.056 490 1HB HIS 68 1HB HIS 68 -4.290 -14.361 -26.068 491 2HB HIS 68 2HB HIS 68 -4.516 -15.261 -27.537 492 HD1 HIS 68 HD1 HIS 68 -5.927 -14.264 -29.267 493 HD2 HIS 68 HD2 HIS 68 -6.957 -13.130 -25.306 494 HE1 HIS 68 HE1 HIS 68 -7.915 -12.560 -29.438 495 HE2 HIS 68 HE2 HIS 68 -8.474 -11.941 -26.917 496 H SER 69 H SER 69 -7.949 -15.791 -26.508 497 HA SER 69 HA SER 69 -8.063 -17.940 -28.464 498 1HB SER 69 1HB SER 69 -8.920 -18.378 -25.740 499 2HB SER 69 2HB SER 69 -10.328 -18.378 -26.789 500 HG SER 69 HG SER 69 -8.111 -19.780 -27.734 501 H LYS 70 H LYS 70 -10.628 -18.128 -29.030 502 HA LYS 70 HA LYS 70 -11.306 -15.365 -29.794 503 1HB LYS 70 1HB LYS 70 -11.494 -17.971 -31.075 504 2HB LYS 70 2HB LYS 70 -13.114 -17.326 -30.939 505 1HG LYS 70 1HG LYS 70 -12.623 -16.200 -32.835 506 2HG LYS 70 2HG LYS 70 -11.845 -15.045 -31.759 507 1HD LYS 70 1HD LYS 70 -9.712 -16.511 -31.993 508 2HD LYS 70 2HD LYS 70 -10.552 -17.306 -33.346 509 1HE LYS 70 1HE LYS 70 -10.697 -15.238 -34.593 510 2HE LYS 70 2HE LYS 70 -10.247 -14.275 -33.170 511 1HZ LYS 70 1HZ LYS 70 -8.114 -15.783 -33.304 512 2HZ LYS 70 2HZ LYS 70 -8.529 -15.900 -34.902 513 3HZ LYS 70 3HZ LYS 70 -8.239 -14.414 -34.223 514 H ASP 71 H ASP 71 -11.748 -14.899 -27.534 515 HA ASP 71 HA ASP 71 -14.523 -14.723 -27.110 516 1HB ASP 71 1HB ASP 71 -13.283 -17.226 -26.136 517 2HB ASP 71 2HB ASP 71 -13.862 -16.279 -24.773 518 H GLY 72 H GLY 72 -11.323 -15.097 -25.525 519 1HA GLY 72 1HA GLY 72 -10.368 -12.969 -24.718 520 2HA GLY 72 2HA GLY 72 -11.905 -12.697 -23.878 521 H ASN 73 H ASN 73 -12.591 -14.649 -22.448 522 HA ASN 73 HA ASN 73 -10.282 -15.758 -21.020 523 1HB ASN 73 1HB ASN 73 -11.912 -15.460 -18.982 524 2HB ASN 73 2HB ASN 73 -10.999 -14.129 -19.462 525 1HD2 ASN 73 1HD2 ASN 73 -12.029 -12.830 -21.223 526 2HD2 ASN 73 2HD2 ASN 73 -13.761 -12.452 -20.992 527 H GLY 74 H GLY 74 -11.034 -17.389 -22.780 528 1HA GLY 74 1HA GLY 74 -13.468 -18.838 -22.421 529 2HA GLY 74 2HA GLY 74 -11.980 -19.437 -23.204 530 H LYS 75 H LYS 75 -10.894 -21.012 -22.219 531 HA LYS 75 HA LYS 75 -11.912 -22.205 -19.813 532 1HB LYS 75 1HB LYS 75 -9.421 -22.611 -21.551 533 2HB LYS 75 2HB LYS 75 -9.577 -23.456 -19.994 534 1HG LYS 75 1HG LYS 75 -12.079 -23.925 -21.110 535 2HG LYS 75 2HG LYS 75 -11.033 -23.916 -22.539 536 1HD LYS 75 1HD LYS 75 -9.536 -25.589 -21.394 537 2HD LYS 75 2HD LYS 75 -10.632 -25.567 -19.992 538 1HE LYS 75 1HE LYS 75 -12.498 -26.158 -21.769 539 2HE LYS 75 2HE LYS 75 -11.131 -26.630 -22.801 540 1HZ LYS 75 1HZ LYS 75 -11.916 -28.510 -21.514 541 2HZ LYS 75 2HZ LYS 75 -10.397 -28.114 -20.982 542 3HZ LYS 75 3HZ LYS 75 -11.730 -27.693 -20.090 543 H THR 76 H THR 76 -8.495 -21.661 -19.786 544 HA THR 76 HA THR 76 -8.822 -19.880 -17.438 545 HB THR 76 HB THR 76 -8.039 -22.499 -17.269 546 HG1 THR 76 HG1 THR 76 -7.194 -21.638 -15.225 547 1HG2 THR 76 1HG2 THR 76 -5.492 -21.046 -16.771 548 2HG2 THR 76 2HG2 THR 76 -5.706 -22.764 -17.023 549 3HG2 THR 76 3HG2 THR 76 -5.783 -21.664 -18.413 550 H ASP 77 H ASP 77 -8.248 -19.419 -20.387 551 HA ASP 77 HA ASP 77 -5.869 -18.879 -21.215 552 1HB ASP 77 1HB ASP 77 -7.851 -16.639 -21.069 553 2HB ASP 77 2HB ASP 77 -6.719 -16.977 -22.318 554 H HIS 78 H HIS 78 -4.136 -18.501 -19.855 555 HA HIS 78 HA HIS 78 -4.379 -16.517 -17.750 556 1HB HIS 78 1HB HIS 78 -2.086 -17.303 -17.146 557 2HB HIS 78 2HB HIS 78 -3.375 -18.478 -16.969 558 HD1 HIS 78 HD1 HIS 78 -0.093 -17.979 -18.511 559 HD2 HIS 78 HD2 HIS 78 -3.520 -20.357 -19.228 560 HE1 HIS 78 HE1 HIS 78 0.669 -19.954 -20.031 561 HE2 HIS 78 HE2 HIS 78 -1.423 -21.398 -20.464 562 H TYR 79 H TYR 79 -4.769 -14.966 -19.641 563 HA TYR 79 HA TYR 79 -2.296 -14.079 -20.886 564 1HB TYR 79 1HB TYR 79 -3.833 -12.741 -22.194 565 2HB TYR 79 2HB TYR 79 -4.201 -14.343 -22.304 566 HD1 TYR 79 HD1 TYR 79 -5.349 -11.117 -21.015 567 HD2 TYR 79 HD2 TYR 79 -6.182 -15.221 -21.236 568 HE1 TYR 79 HE1 TYR 79 -7.669 -10.656 -20.264 569 HE2 TYR 79 HE2 TYR 79 -8.554 -14.797 -20.396 570 HH TYR 79 HH TYR 79 -9.459 -12.073 -18.982 571 H LEU 80 H LEU 80 -1.314 -12.125 -20.491 572 HA LEU 80 HA LEU 80 -1.960 -10.900 -17.959 573 1HB LEU 80 1HB LEU 80 0.127 -10.701 -20.073 574 2HB LEU 80 2HB LEU 80 -0.240 -9.138 -19.351 575 HG LEU 80 HG LEU 80 0.362 -11.596 -17.645 576 1HD1 LEU 80 1HD1 LEU 80 2.359 -9.530 -18.685 577 2HD1 LEU 80 2HD1 LEU 80 2.661 -10.813 -17.518 578 3HD1 LEU 80 3HD1 LEU 80 2.257 -11.233 -19.166 579 1HD2 LEU 80 1HD2 LEU 80 1.155 -8.995 -16.695 580 2HD2 LEU 80 2HD2 LEU 80 -0.591 -9.074 -16.998 581 3HD2 LEU 80 3HD2 LEU 80 0.265 -10.177 -15.934 582 H LEU 81 H LEU 81 -3.232 -9.228 -17.535 583 HA LEU 81 HA LEU 81 -4.347 -7.658 -19.823 584 1HB LEU 81 1HB LEU 81 -6.275 -8.702 -19.414 585 2HB LEU 81 2HB LEU 81 -5.725 -9.368 -17.866 586 HG LEU 81 HG LEU 81 -6.132 -7.112 -16.908 587 1HD1 LEU 81 1HD1 LEU 81 -6.233 -6.033 -19.153 588 2HD1 LEU 81 2HD1 LEU 81 -7.815 -6.595 -19.123 589 3HD1 LEU 81 3HD1 LEU 81 -7.134 -5.474 -17.901 590 1HD2 LEU 81 1HD2 LEU 81 -8.499 -8.595 -18.100 591 2HD2 LEU 81 2HD2 LEU 81 -7.708 -8.987 -16.606 592 3HD2 LEU 81 3HD2 LEU 81 -8.646 -7.567 -16.757 593 H GLU 82 H GLU 82 -4.373 -5.510 -19.604 594 HA GLU 82 HA GLU 82 -3.284 -4.484 -17.083 595 1HB GLU 82 1HB GLU 82 -2.334 -2.696 -18.315 596 2HB GLU 82 2HB GLU 82 -1.993 -4.193 -19.243 597 1HG GLU 82 1HG GLU 82 -4.447 -2.964 -20.163 598 2HG GLU 82 2HG GLU 82 -3.210 -1.847 -20.070 599 H PHE 83 H PHE 83 -4.042 -2.363 -16.381 600 HA PHE 83 HA PHE 83 -6.707 -1.684 -17.402 601 1HB PHE 83 1HB PHE 83 -6.833 -3.232 -15.429 602 2HB PHE 83 2HB PHE 83 -6.054 -1.974 -14.542 603 HD1 PHE 83 HD1 PHE 83 -7.300 -0.687 -13.105 604 HD2 PHE 83 HD2 PHE 83 -8.953 -2.170 -16.793 605 HE1 PHE 83 HE1 PHE 83 -9.545 0.333 -12.569 606 HE2 PHE 83 HE2 PHE 83 -11.161 -1.087 -16.254 607 HZ PHE 83 HZ PHE 83 -11.311 0.140 -14.082 608 HA PRO 84 HA PRO 84 -4.936 2.362 -16.919 609 1HB PRO 84 1HB PRO 84 -7.178 3.863 -17.601 610 2HB PRO 84 2HB PRO 84 -6.054 3.114 -18.777 611 1HG PRO 84 1HG PRO 84 -8.796 2.265 -18.014 612 2HG PRO 84 2HG PRO 84 -7.790 1.923 -19.435 613 1HD PRO 84 1HD PRO 84 -8.299 0.246 -17.193 614 2HD PRO 84 2HD PRO 84 -7.223 -0.102 -18.527 615 H THR 85 H THR 85 -4.383 2.839 -14.943 616 HA THR 85 HA THR 85 -6.509 3.322 -13.127 617 HB THR 85 HB THR 85 -5.181 1.685 -12.131 618 HG1 THR 85 HG1 THR 85 -5.375 3.270 -10.579 619 1HG2 THR 85 1HG2 THR 85 -2.599 2.282 -11.960 620 2HG2 THR 85 2HG2 THR 85 -3.235 1.481 -13.412 621 3HG2 THR 85 3HG2 THR 85 -2.928 3.220 -13.405 622 H PHE 86 H PHE 86 -7.048 5.352 -12.511 623 HA PHE 86 HA PHE 86 -5.377 7.502 -13.451 624 1HB PHE 86 1HB PHE 86 -8.040 7.340 -12.030 625 2HB PHE 86 2HB PHE 86 -7.327 8.819 -12.483 626 HD1 PHE 86 HD1 PHE 86 -8.209 5.583 -14.151 627 HD2 PHE 86 HD2 PHE 86 -7.924 9.854 -14.448 628 HE1 PHE 86 HE1 PHE 86 -9.263 5.432 -16.338 629 HE2 PHE 86 HE2 PHE 86 -8.952 9.715 -16.735 630 HZ PHE 86 HZ PHE 86 -9.640 7.486 -17.615 631 HA PRO 87 HA PRO 87 -3.558 8.449 -9.570 632 1HB PRO 87 1HB PRO 87 -3.459 11.269 -9.682 633 2HB PRO 87 2HB PRO 87 -2.370 10.182 -10.571 634 1HG PRO 87 1HG PRO 87 -4.526 11.803 -11.669 635 2HG PRO 87 2HG PRO 87 -3.100 11.065 -12.486 636 1HD PRO 87 1HD PRO 87 -5.794 10.150 -12.495 637 2HD PRO 87 2HD PRO 87 -4.392 9.337 -13.204 638 H ASP 88 H ASP 88 -6.324 10.637 -10.349 639 HA ASP 88 HA ASP 88 -6.967 11.489 -7.801 640 1HB ASP 88 1HB ASP 88 -9.456 11.134 -8.729 641 2HB ASP 88 2HB ASP 88 -8.408 12.417 -9.341 642 H GLY 89 H GLY 89 -7.263 8.301 -9.189 643 1HA GLY 89 1HA GLY 89 -7.601 6.259 -8.184 644 2HA GLY 89 2HA GLY 89 -7.822 7.145 -6.652 645 H HIS 90 H HIS 90 -9.677 8.262 -9.338 646 HA HIS 90 HA HIS 90 -12.111 7.350 -7.925 647 1HB HIS 90 1HB HIS 90 -13.269 8.984 -9.156 648 2HB HIS 90 2HB HIS 90 -11.749 9.729 -8.694 649 HD1 HIS 90 HD1 HIS 90 -11.109 11.295 -10.583 650 HD2 HIS 90 HD2 HIS 90 -12.573 7.643 -11.997 651 HE1 HIS 90 HE1 HIS 90 -10.876 11.324 -13.117 652 HE2 HIS 90 HE2 HIS 90 -11.739 9.028 -13.958 653 H ASP 91 H ASP 91 -13.718 6.084 -8.883 654 HA ASP 91 HA ASP 91 -12.785 3.952 -10.564 655 1HB ASP 91 1HB ASP 91 -14.725 3.638 -9.125 656 2HB ASP 91 2HB ASP 91 -15.561 5.047 -9.824 657 H TYR 92 H TYR 92 -12.725 3.739 -12.704 658 HA TYR 92 HA TYR 92 -13.371 6.042 -14.379 659 1HB TYR 92 1HB TYR 92 -12.152 3.606 -15.524 660 2HB TYR 92 2HB TYR 92 -11.668 5.255 -15.715 661 HD1 TYR 92 HD1 TYR 92 -11.021 6.153 -13.078 662 HD2 TYR 92 HD2 TYR 92 -10.347 2.308 -14.761 663 HE1 TYR 92 HE1 TYR 92 -9.149 5.730 -11.413 664 HE2 TYR 92 HE2 TYR 92 -8.452 2.015 -13.153 665 HH TYR 92 HH TYR 92 -7.489 2.707 -11.316 666 H LYS 93 H LYS 93 -15.023 6.050 -15.804 667 HA LYS 93 HA LYS 93 -16.956 3.941 -15.730 668 1HB LYS 93 1HB LYS 93 -17.986 5.302 -17.602 669 2HB LYS 93 2HB LYS 93 -17.823 6.096 -16.033 670 1HG LYS 93 1HG LYS 93 -16.043 7.471 -16.753 671 2HG LYS 93 2HG LYS 93 -15.633 6.426 -18.121 672 1HD LYS 93 1HD LYS 93 -16.789 8.594 -18.724 673 2HD LYS 93 2HD LYS 93 -17.535 7.119 -19.362 674 1HE LYS 93 1HE LYS 93 -18.517 8.078 -16.704 675 2HE LYS 93 2HE LYS 93 -18.920 9.099 -18.105 676 1HZ LYS 93 1HZ LYS 93 -20.637 7.597 -18.199 677 2HZ LYS 93 2HZ LYS 93 -19.541 6.736 -19.109 678 3HZ LYS 93 3HZ LYS 93 -19.775 6.368 -17.523 679 H PHE 94 H PHE 94 -15.116 2.369 -16.292 680 HA PHE 94 HA PHE 94 -14.322 2.121 -18.985 681 1HB PHE 94 1HB PHE 94 -13.603 -0.114 -18.000 682 2HB PHE 94 2HB PHE 94 -12.742 1.306 -17.484 683 HD1 PHE 94 HD1 PHE 94 -12.507 1.614 -15.194 684 HD2 PHE 94 HD2 PHE 94 -15.659 -0.937 -16.523 685 HE1 PHE 94 HE1 PHE 94 -13.067 1.110 -12.821 686 HE2 PHE 94 HE2 PHE 94 -16.252 -1.440 -14.172 687 HZ PHE 94 HZ PHE 94 -14.914 -0.420 -12.292 688 H ASP 95 H ASP 95 -16.991 1.091 -17.002 689 HA ASP 95 HA ASP 95 -17.747 -1.115 -18.745 690 1HB ASP 95 1HB ASP 95 -18.303 -1.481 -16.484 691 2HB ASP 95 2HB ASP 95 -18.844 0.196 -16.236 692 H SER 96 H SER 96 -18.516 2.279 -18.151 693 HA SER 96 HA SER 96 -20.888 2.232 -19.808 694 1HB SER 96 1HB SER 96 -20.243 3.830 -17.781 695 2HB SER 96 2HB SER 96 -19.481 4.766 -19.069 696 HG SER 96 HG SER 96 -22.166 4.260 -18.602 697 H LYS 97 H LYS 97 -20.539 1.811 -21.891 698 HA LYS 97 HA LYS 97 -18.178 2.473 -23.348 699 1HB LYS 97 1HB LYS 97 -19.223 1.544 -25.183 700 2HB LYS 97 2HB LYS 97 -20.154 0.809 -23.878 701 1HG LYS 97 1HG LYS 97 -21.927 2.505 -24.138 702 2HG LYS 97 2HG LYS 97 -21.002 3.260 -25.473 703 1HD LYS 97 1HD LYS 97 -21.191 1.461 -26.901 704 2HD LYS 97 2HD LYS 97 -21.857 0.427 -25.610 705 1HE LYS 97 1HE LYS 97 -23.767 2.201 -25.432 706 2HE LYS 97 2HE LYS 97 -23.179 2.814 -26.994 707 1HZ LYS 97 1HZ LYS 97 -24.812 0.592 -26.521 708 2HZ LYS 97 2HZ LYS 97 -24.255 1.135 -27.982 709 3HZ LYS 97 3HZ LYS 97 -23.391 0.011 -27.120 710 H LYS 98 H LYS 98 -21.331 4.153 -23.167 711 HA LYS 98 HA LYS 98 -19.956 6.496 -23.919 712 1HB LYS 98 1HB LYS 98 -21.994 5.265 -25.509 713 2HB LYS 98 2HB LYS 98 -22.312 6.972 -25.231 714 1HG LYS 98 1HG LYS 98 -20.467 7.700 -26.406 715 2HG LYS 98 2HG LYS 98 -19.455 6.346 -25.913 716 1HD LYS 98 1HD LYS 98 -21.126 4.927 -27.463 717 2HD LYS 98 2HD LYS 98 -21.403 6.511 -28.198 718 1HE LYS 98 1HE LYS 98 -19.582 5.844 -29.468 719 2HE LYS 98 2HE LYS 98 -18.703 6.590 -28.116 720 1HZ LYS 98 1HZ LYS 98 -17.743 4.498 -28.284 721 2HZ LYS 98 2HZ LYS 98 -18.863 4.230 -27.102 722 3HZ LYS 98 3HZ LYS 98 -19.151 3.731 -28.672 723 HA PRO 99 HA PRO 99 -20.027 8.511 -23.739 724 1HB PRO 99 1HB PRO 99 -19.130 10.231 -21.803 725 2HB PRO 99 2HB PRO 99 -20.435 10.538 -23.002 726 1HG PRO 99 1HG PRO 99 -20.647 9.981 -20.082 727 2HG PRO 99 2HG PRO 99 -21.832 10.767 -21.183 728 1HD PRO 99 1HD PRO 99 -21.878 8.056 -20.191 729 2HD PRO 99 2HD PRO 99 -22.992 8.792 -21.374 730 H LYS 100 H LYS 100 -17.605 9.003 -23.066 731 HA LYS 100 HA LYS 100 -16.578 7.009 -21.166 732 1HB LYS 100 1HB LYS 100 -16.385 5.569 -22.849 733 2HB LYS 100 2HB LYS 100 -16.343 6.808 -24.122 734 1HG LYS 100 1HG LYS 100 -14.046 7.299 -23.742 735 2HG LYS 100 2HG LYS 100 -14.094 6.492 -22.160 736 1HD LYS 100 1HD LYS 100 -14.494 4.378 -23.389 737 2HD LYS 100 2HD LYS 100 -14.306 5.152 -24.907 738 1HE LYS 100 1HE LYS 100 -12.208 3.985 -23.956 739 2HE LYS 100 2HE LYS 100 -11.982 5.644 -24.584 740 1HZ LYS 100 1HZ LYS 100 -11.076 4.969 -22.200 741 2HZ LYS 100 2HZ LYS 100 -11.805 6.499 -22.387 742 3HZ LYS 100 3HZ LYS 100 -12.608 5.214 -21.763 743 H GLU 101 H GLU 101 -15.257 8.034 -19.858 744 HA GLU 101 HA GLU 101 -14.232 10.650 -20.594 745 1HB GLU 101 1HB GLU 101 -14.940 10.198 -18.290 746 2HB GLU 101 2HB GLU 101 -13.777 8.866 -18.146 747 1HG GLU 101 1HG GLU 101 -12.879 10.890 -17.062 748 2HG GLU 101 2HG GLU 101 -11.901 10.468 -18.399 749 H ASN 102 H ASN 102 -11.942 11.189 -20.568 750 HA ASN 102 HA ASN 102 -10.445 9.731 -22.267 751 1HB ASN 102 1HB ASN 102 -10.214 12.226 -21.244 752 2HB ASN 102 2HB ASN 102 -8.972 11.419 -20.295 753 1HD2 ASN 102 1HD2 ASN 102 -10.098 12.095 -23.523 754 2HD2 ASN 102 2HD2 ASN 102 -8.542 11.924 -24.344 755 HA PRO 103 HA PRO 103 -8.931 6.643 -19.419 756 1HB PRO 103 1HB PRO 103 -7.130 5.385 -21.206 757 2HB PRO 103 2HB PRO 103 -8.878 5.086 -21.098 758 1HG PRO 103 1HG PRO 103 -7.316 6.608 -23.134 759 2HG PRO 103 2HG PRO 103 -8.947 5.858 -23.273 760 1HD PRO 103 1HD PRO 103 -8.312 8.635 -22.870 761 2HD PRO 103 2HD PRO 103 -9.916 7.868 -22.895 762 H GLY 104 H GLY 104 -6.300 5.633 -19.487 763 1HA GLY 104 1HA GLY 104 -4.628 7.986 -19.020 764 2HA GLY 104 2HA GLY 104 -4.851 6.819 -17.705 765 HA PRO 105 HA PRO 105 -1.561 5.404 -20.808 766 1HB PRO 105 1HB PRO 105 0.756 6.525 -19.651 767 2HB PRO 105 2HB PRO 105 -0.150 7.210 -21.028 768 1HG PRO 105 1HG PRO 105 -0.039 8.127 -18.193 769 2HG PRO 105 2HG PRO 105 -0.521 9.037 -19.670 770 1HD PRO 105 1HD PRO 105 -2.248 7.880 -17.678 771 2HD PRO 105 2HD PRO 105 -2.709 8.680 -19.194 772 H ALA 106 H ALA 106 -0.628 6.057 -17.359 773 HA ALA 106 HA ALA 106 0.633 3.586 -17.014 774 1HB ALA 106 1HB ALA 106 -0.696 5.049 -14.844 775 2HB ALA 106 2HB ALA 106 0.816 4.178 -14.761 776 3HB ALA 106 3HB ALA 106 0.775 5.683 -15.673 777 H ARG 107 H ARG 107 -0.026 1.587 -16.462 778 HA ARG 107 HA ARG 107 -2.787 1.269 -15.622 779 1HB ARG 107 1HB ARG 107 -1.581 -0.284 -17.978 780 2HB ARG 107 2HB ARG 107 -3.130 -0.554 -17.335 781 1HG ARG 107 1HG ARG 107 -3.338 2.134 -17.898 782 2HG ARG 107 2HG ARG 107 -2.218 1.657 -19.015 783 1HD ARG 107 1HD ARG 107 -4.262 -0.297 -19.129 784 2HD ARG 107 2HD ARG 107 -5.053 1.205 -18.950 785 HE ARG 107 HE ARG 107 -4.665 1.682 -21.072 786 1HH1 ARG 107 2HH2 ARG 107 -2.023 -0.233 -19.957 787 2HH1 ARG 107 1HH2 ARG 107 -1.161 -0.332 -21.385 788 1HH2 ARG 107 2HH1 ARG 107 -3.531 1.673 -23.052 789 2HH2 ARG 107 1HH1 ARG 107 -2.062 0.775 -23.184 790 H VAL 108 H VAL 108 -3.248 -0.704 -14.554 791 HA VAL 108 HA VAL 108 -0.857 -1.802 -13.249 792 HB VAL 108 HB VAL 108 -2.775 -1.179 -11.914 793 1HG1 VAL 108 1HG1 VAL 108 -4.323 -2.788 -13.808 794 2HG1 VAL 108 2HG1 VAL 108 -4.791 -2.914 -12.202 795 3HG1 VAL 108 3HG1 VAL 108 -4.726 -1.325 -12.948 796 1HG2 VAL 108 1HG2 VAL 108 -3.222 -3.854 -11.194 797 2HG2 VAL 108 2HG2 VAL 108 -1.648 -3.861 -11.942 798 3HG2 VAL 108 3HG2 VAL 108 -1.996 -2.765 -10.603 799 H ILE 109 H ILE 109 0.103 -3.635 -13.777 800 HA ILE 109 HA ILE 109 -1.192 -5.381 -15.795 801 HB ILE 109 HB ILE 109 1.715 -5.114 -14.990 802 1HG1 ILE 109 1HG1 ILE 109 1.130 -3.104 -16.088 803 2HG1 ILE 109 2HG1 ILE 109 1.880 -4.190 -17.283 804 1HG2 ILE 109 1HG2 ILE 109 1.591 -6.336 -17.496 805 2HG2 ILE 109 2HG2 ILE 109 1.881 -7.112 -15.939 806 3HG2 ILE 109 3HG2 ILE 109 0.244 -7.010 -16.662 807 1HD1 ILE 109 1HD1 ILE 109 -0.075 -3.055 -18.247 808 2HD1 ILE 109 2HD1 ILE 109 -0.314 -4.795 -18.092 809 3HD1 ILE 109 3HD1 ILE 109 -1.003 -3.644 -16.961 810 H TYR 110 H TYR 110 -1.353 -7.550 -15.553 811 HA TYR 110 HA TYR 110 -0.368 -8.969 -13.311 812 1HB TYR 110 1HB TYR 110 -2.496 -9.155 -12.066 813 2HB TYR 110 2HB TYR 110 -2.077 -7.501 -12.140 814 HD1 TYR 110 HD1 TYR 110 -3.584 -5.857 -12.808 815 HD2 TYR 110 HD2 TYR 110 -4.218 -9.931 -14.010 816 HE1 TYR 110 HE1 TYR 110 -5.821 -5.294 -13.801 817 HE2 TYR 110 HE2 TYR 110 -6.324 -9.380 -15.030 818 HH TYR 110 HH TYR 110 -7.502 -5.986 -15.028 819 H THR 111 H THR 111 -0.811 -11.157 -13.480 820 HA THR 111 HA THR 111 -1.795 -12.026 -16.071 821 HB THR 111 HB THR 111 -0.783 -14.067 -15.479 822 HG1 THR 111 HG1 THR 111 -1.543 -13.233 -12.911 823 1HG2 THR 111 1HG2 THR 111 1.215 -13.578 -14.591 824 2HG2 THR 111 2HG2 THR 111 0.823 -11.985 -15.098 825 3HG2 THR 111 3HG2 THR 111 0.723 -12.436 -13.428 826 H TYR 112 H TYR 112 -3.364 -13.837 -16.242 827 HA TYR 112 HA TYR 112 -5.522 -13.408 -14.387 828 1HB TYR 112 1HB TYR 112 -6.260 -12.492 -16.337 829 2HB TYR 112 2HB TYR 112 -5.396 -13.684 -17.301 830 HD1 TYR 112 HD1 TYR 112 -8.575 -12.723 -16.356 831 HD2 TYR 112 HD2 TYR 112 -6.298 -16.241 -16.975 832 HE1 TYR 112 HE1 TYR 112 -10.677 -14.095 -16.631 833 HE2 TYR 112 HE2 TYR 112 -8.275 -17.579 -17.279 834 HH TYR 112 HH TYR 112 -10.655 -17.181 -17.973 835 HA PRO 113 HA PRO 113 -7.500 -14.246 -14.156 836 1HB PRO 113 1HB PRO 113 -8.609 -15.567 -11.998 837 2HB PRO 113 2HB PRO 113 -9.115 -15.749 -13.716 838 1HG PRO 113 1HG PRO 113 -7.578 -17.640 -12.000 839 2HG PRO 113 2HG PRO 113 -8.506 -17.963 -13.507 840 1HD PRO 113 1HD PRO 113 -5.633 -17.710 -13.246 841 2HD PRO 113 2HD PRO 113 -6.565 -17.909 -14.738 842 H ASN 114 H ASN 114 -5.711 -16.039 -11.626 843 HA ASN 114 HA ASN 114 -5.742 -14.316 -9.578 844 1HB ASN 114 1HB ASN 114 -3.262 -15.711 -10.686 845 2HB ASN 114 2HB ASN 114 -3.386 -15.009 -9.075 846 1HD2 ASN 114 1HD2 ASN 114 -2.705 -17.415 -8.900 847 2HD2 ASN 114 2HD2 ASN 114 -4.034 -18.514 -8.540 848 H LYS 115 H LYS 115 -5.678 -12.131 -9.734 849 HA LYS 115 HA LYS 115 -4.163 -10.750 -11.700 850 1HB LYS 115 1HB LYS 115 -6.047 -10.109 -9.535 851 2HB LYS 115 2HB LYS 115 -4.839 -8.868 -9.649 852 1HG LYS 115 1HG LYS 115 -5.474 -8.138 -11.637 853 2HG LYS 115 2HG LYS 115 -5.969 -9.757 -12.230 854 1HD LYS 115 1HD LYS 115 -7.502 -7.937 -10.392 855 2HD LYS 115 2HD LYS 115 -7.857 -8.239 -12.073 856 1HE LYS 115 1HE LYS 115 -9.100 -10.045 -11.434 857 2HE LYS 115 2HE LYS 115 -7.595 -10.836 -10.974 858 1HZ LYS 115 1HZ LYS 115 -8.430 -10.788 -8.928 859 2HZ LYS 115 2HZ LYS 115 -8.157 -9.156 -8.921 860 3HZ LYS 115 3HZ LYS 115 -9.659 -9.728 -9.343 861 H VAL 116 H VAL 116 -2.219 -11.995 -11.195 862 HA VAL 116 HA VAL 116 -0.683 -11.452 -8.871 863 HB VAL 116 HB VAL 116 -0.094 -12.686 -11.552 864 1HG1 VAL 116 1HG1 VAL 116 2.074 -12.099 -11.292 865 2HG1 VAL 116 2HG1 VAL 116 1.866 -11.646 -9.598 866 3HG1 VAL 116 3HG1 VAL 116 2.154 -13.332 -10.028 867 1HG2 VAL 116 1HG2 VAL 116 -1.218 -13.718 -9.244 868 2HG2 VAL 116 2HG2 VAL 116 -0.510 -14.641 -10.574 869 3HG2 VAL 116 3HG2 VAL 116 0.448 -14.252 -9.135 870 H PHE 117 H PHE 117 -1.249 -9.075 -9.111 871 HA PHE 117 HA PHE 117 -0.491 -7.237 -10.800 872 1HB PHE 117 1HB PHE 117 -1.464 -6.668 -8.672 873 2HB PHE 117 2HB PHE 117 -0.082 -7.374 -7.826 874 HD1 PHE 117 HD1 PHE 117 -1.007 -4.635 -10.076 875 HD2 PHE 117 HD2 PHE 117 1.803 -6.092 -7.234 876 HE1 PHE 117 HE1 PHE 117 0.123 -2.363 -10.073 877 HE2 PHE 117 HE2 PHE 117 2.915 -3.891 -7.165 878 HZ PHE 117 HZ PHE 117 2.096 -2.071 -8.650 879 H CYS 118 H CYS 118 1.233 -7.325 -12.140 880 HA CYS 118 HA CYS 118 3.817 -8.189 -11.068 881 1HB CYS 118 1HB CYS 118 2.617 -8.355 -13.555 882 2HB CYS 118 2HB CYS 118 3.759 -7.051 -13.799 883 H GLY 119 H GLY 119 2.172 -5.227 -12.254 884 1HA GLY 119 1HA GLY 119 3.293 -3.409 -10.625 885 2HA GLY 119 2HA GLY 119 4.511 -3.567 -11.918 886 H ILE 120 H ILE 120 4.205 -1.479 -12.731 887 HA ILE 120 HA ILE 120 1.606 -1.117 -14.105 888 HB ILE 120 HB ILE 120 3.171 1.147 -12.925 889 1HG1 ILE 120 1HG1 ILE 120 2.007 -0.696 -11.197 890 2HG1 ILE 120 2HG1 ILE 120 2.336 0.902 -10.964 891 1HG2 ILE 120 1HG2 ILE 120 1.506 1.646 -14.778 892 2HG2 ILE 120 2HG2 ILE 120 0.287 1.012 -13.743 893 3HG2 ILE 120 3HG2 ILE 120 1.141 2.427 -13.241 894 1HD1 ILE 120 1HD1 ILE 120 0.115 0.307 -10.279 895 2HD1 ILE 120 2HD1 ILE 120 0.087 1.536 -11.505 896 3HD1 ILE 120 3HD1 ILE 120 -0.216 -0.160 -11.958 897 H ILE 121 H ILE 121 1.691 -0.060 -16.102 898 HA ILE 121 HA ILE 121 4.390 0.349 -17.188 899 HB ILE 121 HB ILE 121 3.999 -1.049 -19.100 900 1HG1 ILE 121 1HG1 ILE 121 1.145 -1.290 -18.212 901 2HG1 ILE 121 2HG1 ILE 121 1.754 -0.421 -19.607 902 1HG2 ILE 121 1HG2 ILE 121 3.080 -2.488 -16.634 903 2HG2 ILE 121 2HG2 ILE 121 3.633 -3.274 -18.085 904 3HG2 ILE 121 3HG2 ILE 121 4.703 -2.304 -17.187 905 1HD1 ILE 121 1HD1 ILE 121 0.957 -2.546 -20.389 906 2HD1 ILE 121 2HD1 ILE 121 2.733 -2.567 -20.362 907 3HD1 ILE 121 3HD1 ILE 121 1.851 -3.377 -19.218 908 H ALA 122 H ALA 122 4.417 1.623 -19.141 909 HA ALA 122 HA ALA 122 2.096 2.898 -20.162 910 1HB ALA 122 1HB ALA 122 3.658 4.885 -18.604 911 2HB ALA 122 2HB ALA 122 1.937 4.875 -19.013 912 3HB ALA 122 3HB ALA 122 2.516 3.903 -17.716 913 H HIS 123 H HIS 123 2.634 4.346 -21.872 914 HA HIS 123 HA HIS 123 5.351 3.962 -22.836 915 1HB HIS 123 1HB HIS 123 3.241 5.371 -24.477 916 2HB HIS 123 2HB HIS 123 4.497 4.329 -24.983 917 HD1 HIS 123 HD1 HIS 123 3.840 1.944 -25.578 918 HD2 HIS 123 HD2 HIS 123 1.078 3.954 -23.028 919 HE1 HIS 123 HE1 HIS 123 1.804 0.365 -25.294 920 HE2 HIS 123 HE2 HIS 123 0.164 1.581 -23.673 921 H THR 124 H THR 124 6.638 5.309 -21.743 922 HA THR 124 HA THR 124 5.901 8.190 -21.711 923 HB THR 124 HB THR 124 6.588 6.878 -19.614 924 HG1 THR 124 HG1 THR 124 8.041 9.152 -20.424 925 1HG2 THR 124 1HG2 THR 124 8.826 6.118 -21.004 926 2HG2 THR 124 2HG2 THR 124 9.398 7.586 -20.207 927 3HG2 THR 124 3HG2 THR 124 8.794 6.283 -19.212 928 H LYS 125 H LYS 125 6.415 7.392 -24.191 929 HA LYS 125 HA LYS 125 9.232 8.315 -24.707 930 1HB LYS 125 1HB LYS 125 8.905 6.058 -25.467 931 2HB LYS 125 2HB LYS 125 7.416 6.477 -26.336 932 1HG LYS 125 1HG LYS 125 8.515 7.412 -28.095 933 2HG LYS 125 2HG LYS 125 9.790 8.134 -27.101 934 1HD LYS 125 1HD LYS 125 11.143 6.334 -27.092 935 2HD LYS 125 2HD LYS 125 9.836 5.155 -27.328 936 1HE LYS 125 1HE LYS 125 9.775 5.377 -29.601 937 2HE LYS 125 2HE LYS 125 10.228 7.097 -29.569 938 1HZ LYS 125 1HZ LYS 125 12.335 5.478 -28.583 939 2HZ LYS 125 2HZ LYS 125 11.883 4.944 -30.068 940 3HZ LYS 125 3HZ LYS 125 12.346 6.537 -29.863 941 H GLU 126 H GLU 126 5.820 8.934 -25.142 942 HA GLU 126 HA GLU 126 6.303 11.593 -25.897 943 1HB GLU 126 1HB GLU 126 6.429 9.723 -28.110 944 2HB GLU 126 2HB GLU 126 4.904 10.558 -28.256 945 1HG GLU 126 1HG GLU 126 7.316 12.251 -27.598 946 2HG GLU 126 2HG GLU 126 7.234 11.555 -29.208 947 H ASN 127 H ASN 127 3.897 9.093 -26.815 948 HA ASN 127 HA ASN 127 1.995 10.166 -24.896 949 1HB ASN 127 1HB ASN 127 1.928 10.908 -27.752 950 2HB ASN 127 2HB ASN 127 0.477 10.022 -27.304 951 1HD2 ASN 127 1HD2 ASN 127 1.922 12.989 -27.370 952 2HD2 ASN 127 2HD2 ASN 127 0.859 13.842 -26.263 953 H GLN 128 H GLN 128 2.532 8.061 -27.722 954 HA GLN 128 HA GLN 128 1.715 5.773 -26.236 955 1HB GLN 128 1HB GLN 128 -0.227 7.162 -27.978 956 2HB GLN 128 2HB GLN 128 0.033 5.521 -28.530 957 1HG GLN 128 1HG GLN 128 -0.174 5.103 -25.811 958 2HG GLN 128 2HG GLN 128 -1.282 6.442 -26.071 959 1HE2 GLN 128 1HE2 GLN 128 -1.293 3.369 -25.655 960 2HE2 GLN 128 2HE2 GLN 128 -2.548 2.825 -26.829 961 H GLY 129 H GLY 129 3.951 5.409 -26.731 962 1HA GLY 129 1HA GLY 129 4.347 4.380 -29.525 963 2HA GLY 129 2HA GLY 129 5.616 5.141 -28.559 964 H GLU 130 H GLU 130 6.836 3.879 -27.222 965 HA GLU 130 HA GLU 130 6.223 1.013 -27.233 966 1HB GLU 130 1HB GLU 130 8.624 2.702 -27.057 967 2HB GLU 130 2HB GLU 130 8.623 1.486 -25.792 968 1HG GLU 130 1HG GLU 130 8.878 -0.265 -27.221 969 2HG GLU 130 2HG GLU 130 7.772 0.383 -28.429 970 H LEU 131 H LEU 131 6.049 -0.276 -25.385 971 HA LEU 131 HA LEU 131 5.169 1.262 -23.044 972 1HB LEU 131 1HB LEU 131 3.679 -0.469 -24.326 973 2HB LEU 131 2HB LEU 131 4.664 -1.696 -23.561 974 HG LEU 131 HG LEU 131 3.896 -1.094 -21.398 975 1HD1 LEU 131 1HD1 LEU 131 3.974 1.030 -21.134 976 2HD1 LEU 131 2HD1 LEU 131 3.168 1.482 -22.548 977 3HD1 LEU 131 3HD1 LEU 131 2.207 0.920 -21.221 978 1HD2 LEU 131 1HD2 LEU 131 1.666 -1.068 -23.499 979 2HD2 LEU 131 2HD2 LEU 131 2.232 -2.278 -22.460 980 3HD2 LEU 131 3HD2 LEU 131 1.313 -0.987 -21.792 981 H LYS 132 H LYS 132 5.891 0.796 -20.975 982 HA LYS 132 HA LYS 132 8.053 -1.145 -20.633 983 1HB LYS 132 1HB LYS 132 9.535 0.630 -19.697 984 2HB LYS 132 2HB LYS 132 9.414 0.572 -21.439 985 1HG LYS 132 1HG LYS 132 8.225 2.571 -21.617 986 2HG LYS 132 2HG LYS 132 7.485 2.380 -20.017 987 1HD LYS 132 1HD LYS 132 8.956 4.116 -19.657 988 2HD LYS 132 2HD LYS 132 9.828 2.731 -19.018 989 1HE LYS 132 1HE LYS 132 11.048 2.518 -21.225 990 2HE LYS 132 2HE LYS 132 10.188 3.963 -21.804 991 1HZ LYS 132 1HZ LYS 132 12.185 4.782 -20.978 992 2HZ LYS 132 2HZ LYS 132 11.157 5.052 -19.702 993 3HZ LYS 132 3HZ LYS 132 12.209 3.779 -19.663 994 H LEU 133 H LEU 133 8.886 -0.865 -18.286 995 HA LEU 133 HA LEU 133 6.462 -1.023 -16.654 996 1HB LEU 133 1HB LEU 133 8.564 -2.623 -16.648 997 2HB LEU 133 2HB LEU 133 9.300 -1.416 -15.651 998 HG LEU 133 HG LEU 133 7.339 -1.662 -14.049 999 1HD1 LEU 133 1HD1 LEU 133 6.043 -3.840 -14.318 1000 2HD1 LEU 133 2HD1 LEU 133 5.611 -2.580 -15.346 1001 3HD1 LEU 133 3HD1 LEU 133 6.583 -3.817 -16.004 1002 1HD2 LEU 133 1HD2 LEU 133 8.726 -4.331 -14.507 1003 2HD2 LEU 133 2HD2 LEU 133 9.584 -2.899 -13.914 1004 3HD2 LEU 133 3HD2 LEU 133 8.243 -3.549 -12.981 1005 H CYS 134 H CYS 134 5.980 0.313 -14.930 1006 HA CYS 134 HA CYS 134 6.923 3.010 -15.091 1007 1HB CYS 134 1HB CYS 134 5.112 1.666 -13.079 1008 2HB CYS 134 2HB CYS 134 5.343 3.353 -13.228 1009 H SER 135 H SER 135 7.135 3.914 -12.586 1010 HA SER 135 HA SER 135 8.933 2.254 -11.020 1011 1HB SER 135 1HB SER 135 10.025 4.722 -12.458 1012 2HB SER 135 2HB SER 135 10.867 3.804 -11.188 1013 HG SER 135 HG SER 135 11.545 2.526 -12.733 1014 H HIS 136 H HIS 136 8.252 2.688 -9.053 1015 HA HIS 136 HA HIS 136 6.611 4.661 -8.207 1016 1HB HIS 136 1HB HIS 136 8.846 3.850 -6.403 1017 2HB HIS 136 2HB HIS 136 7.187 4.132 -6.024 1018 HD1 HIS 136 HD1 HIS 136 9.598 1.488 -6.839 1019 HD2 HIS 136 HD2 HIS 136 5.407 2.014 -6.995 1020 HE1 HIS 136 HE1 HIS 136 8.561 -0.902 -7.026 1021 HE2 HIS 136 HE2 HIS 136 5.980 -0.562 -7.073 Start of MODEL 25 1 1H ALA 1 H1 ALA 1 0.371 0.231 -0.173 2 2H ALA 1 H2 ALA 1 1.739 0.663 0.659 3 3H ALA 1 H3 ALA 1 1.355 -0.937 0.424 4 HA ALA 1 HA ALA 1 2.916 0.696 -1.174 5 1HB ALA 1 1HB ALA 1 3.729 -1.410 -1.274 6 2HB ALA 1 2HB ALA 1 2.159 -2.152 -0.862 7 3HB ALA 1 3HB ALA 1 2.535 -1.743 -2.530 8 H VAL 2 H VAL 2 0.194 1.801 -1.129 9 HA VAL 2 HA VAL 2 -1.339 1.136 -3.317 10 HB VAL 2 HB VAL 2 -1.754 2.761 -1.380 11 1HG1 VAL 2 1HG1 VAL 2 0.113 4.247 -1.477 12 2HG1 VAL 2 2HG1 VAL 2 -0.146 4.594 -3.186 13 3HG1 VAL 2 3HG1 VAL 2 -1.334 5.160 -2.011 14 1HG2 VAL 2 1HG2 VAL 2 -3.210 2.353 -3.477 15 2HG2 VAL 2 2HG2 VAL 2 -3.482 3.826 -2.539 16 3HG2 VAL 2 3HG2 VAL 2 -2.581 3.907 -4.055 17 H THR 3 H THR 3 -1.466 1.939 -5.427 18 HA THR 3 HA THR 3 1.160 2.505 -6.579 19 HB THR 3 HB THR 3 -1.400 1.963 -8.110 20 HG1 THR 3 HG1 THR 3 -1.423 0.050 -7.234 21 1HG2 THR 3 1HG2 THR 3 0.420 0.497 -9.328 22 2HG2 THR 3 2HG2 THR 3 0.405 2.275 -9.520 23 3HG2 THR 3 3HG2 THR 3 1.564 1.482 -8.438 24 H TRP 4 H TRP 4 1.794 4.486 -7.248 25 HA TRP 4 HA TRP 4 -0.110 6.702 -6.972 26 1HB TRP 4 1HB TRP 4 2.854 6.593 -7.617 27 2HB TRP 4 2HB TRP 4 1.874 8.013 -7.412 28 HD1 TRP 4 HD1 TRP 4 2.390 4.869 -5.195 29 HE1 TRP 4 HE1 TRP 4 2.841 5.645 -2.761 30 HE3 TRP 4 HE3 TRP 4 2.048 9.884 -5.907 31 HZ2 TRP 4 HZ2 TRP 4 2.932 8.140 -1.340 32 HZ3 TRP 4 HZ3 TRP 4 2.345 11.454 -4.037 33 HH2 TRP 4 HH2 TRP 4 2.804 10.612 -1.739 34 H THR 5 H THR 5 -0.980 7.858 -8.596 35 HA THR 5 HA THR 5 -0.204 6.999 -11.362 36 HB THR 5 HB THR 5 -2.825 6.912 -9.982 37 HG1 THR 5 HG1 THR 5 -2.183 5.075 -10.851 38 1HG2 THR 5 1HG2 THR 5 -3.631 8.628 -11.373 39 2HG2 THR 5 2HG2 THR 5 -2.494 8.245 -12.701 40 3HG2 THR 5 3HG2 THR 5 -3.861 7.190 -12.402 41 H CYS 6 H CYS 6 0.157 8.486 -12.783 42 HA CYS 6 HA CYS 6 -0.411 11.328 -11.981 43 1HB CYS 6 1HB CYS 6 1.987 10.507 -13.613 44 2HB CYS 6 2HB CYS 6 1.595 12.013 -12.822 45 H GLY 7 H GLY 7 0.828 9.664 -14.944 46 1HA GLY 7 1HA GLY 7 -1.066 11.210 -16.595 47 2HA GLY 7 2HA GLY 7 0.265 10.181 -17.162 48 H GLY 8 H GLY 8 -2.159 9.189 -14.746 49 1HA GLY 8 1HA GLY 8 -3.986 7.739 -14.933 50 2HA GLY 8 2HA GLY 8 -3.708 7.623 -16.682 51 H LEU 9 H LEU 9 -0.721 7.109 -15.778 52 HA LEU 9 HA LEU 9 -1.014 4.210 -15.850 53 1HB LEU 9 1HB LEU 9 1.696 5.465 -15.621 54 2HB LEU 9 2HB LEU 9 1.122 4.116 -16.568 55 HG LEU 9 HG LEU 9 -0.217 6.317 -17.764 56 1HD1 LEU 9 1HD1 LEU 9 2.625 7.163 -17.428 57 2HD1 LEU 9 2HD1 LEU 9 1.243 8.110 -17.989 58 3HD1 LEU 9 3HD1 LEU 9 1.364 7.706 -16.266 59 1HD2 LEU 9 1HD2 LEU 9 0.525 4.799 -19.217 60 2HD2 LEU 9 2HD2 LEU 9 1.740 6.064 -19.469 61 3HD2 LEU 9 3HD2 LEU 9 2.138 4.633 -18.486 62 H LEU 10 H LEU 10 -0.390 2.822 -14.242 63 HA LEU 10 HA LEU 10 -0.328 3.990 -11.541 64 1HB LEU 10 1HB LEU 10 -1.029 1.359 -12.814 65 2HB LEU 10 2HB LEU 10 -0.202 1.223 -11.306 66 HG LEU 10 HG LEU 10 -1.892 2.768 -10.245 67 1HD1 LEU 10 1HD1 LEU 10 -2.578 3.625 -12.695 68 2HD1 LEU 10 2HD1 LEU 10 -3.742 2.338 -12.597 69 3HD1 LEU 10 3HD1 LEU 10 -3.722 3.617 -11.356 70 1HD2 LEU 10 1HD2 LEU 10 -3.029 0.922 -9.627 71 2HD2 LEU 10 2HD2 LEU 10 -3.681 0.655 -11.242 72 3HD2 LEU 10 3HD2 LEU 10 -2.087 0.025 -10.835 73 H TYR 11 H TYR 11 1.383 4.075 -10.283 74 HA TYR 11 HA TYR 11 3.971 2.923 -11.205 75 1HB TYR 11 1HB TYR 11 3.364 5.501 -9.692 76 2HB TYR 11 2HB TYR 11 4.959 4.931 -10.123 77 HD1 TYR 11 HD1 TYR 11 2.385 7.136 -11.071 78 HD2 TYR 11 HD2 TYR 11 5.200 4.332 -12.750 79 HE1 TYR 11 HE1 TYR 11 2.197 8.255 -13.280 80 HE2 TYR 11 HE2 TYR 11 5.072 5.529 -14.935 81 HH TYR 11 HH TYR 11 4.287 7.287 -15.975 82 H ASN 12 H ASN 12 4.377 1.206 -9.970 83 HA ASN 12 HA ASN 12 3.316 0.822 -7.392 84 1HB ASN 12 1HB ASN 12 5.030 -0.630 -9.186 85 2HB ASN 12 2HB ASN 12 5.925 -0.451 -7.676 86 1HD2 ASN 12 1HD2 ASN 12 3.754 -0.377 -5.864 87 2HD2 ASN 12 2HD2 ASN 12 3.092 -2.003 -5.848 88 H GLN 13 H GLN 13 3.588 2.260 -5.748 89 HA GLN 13 HA GLN 13 5.613 4.017 -5.508 90 1HB GLN 13 1HB GLN 13 3.748 4.003 -3.923 91 2HB GLN 13 2HB GLN 13 4.209 2.446 -3.286 92 1HG GLN 13 1HG GLN 13 4.815 4.490 -1.826 93 2HG GLN 13 2HG GLN 13 6.153 3.384 -2.176 94 1HE2 GLN 13 1HE2 GLN 13 4.673 5.753 -4.421 95 2HE2 GLN 13 2HE2 GLN 13 6.154 6.703 -4.565 96 H ASN 14 H ASN 14 5.708 0.753 -4.108 97 HA ASN 14 HA ASN 14 8.217 0.831 -2.914 98 1HB ASN 14 1HB ASN 14 6.427 -1.172 -3.478 99 2HB ASN 14 2HB ASN 14 7.663 -1.535 -4.694 100 1HD2 ASN 14 1HD2 ASN 14 6.773 -2.832 -2.140 101 2HD2 ASN 14 2HD2 ASN 14 8.300 -3.064 -1.263 102 H LYS 15 H LYS 15 7.446 0.622 -6.396 103 HA LYS 15 HA LYS 15 10.267 0.291 -7.208 104 1HB LYS 15 1HB LYS 15 7.609 0.514 -8.587 105 2HB LYS 15 2HB LYS 15 9.019 0.982 -9.487 106 1HG LYS 15 1HG LYS 15 9.785 -1.147 -9.648 107 2HG LYS 15 2HG LYS 15 9.348 -1.587 -7.984 108 1HD LYS 15 1HD LYS 15 7.079 -2.021 -8.552 109 2HD LYS 15 2HD LYS 15 7.255 -1.266 -10.151 110 1HE LYS 15 1HE LYS 15 8.974 -3.092 -10.636 111 2HE LYS 15 2HE LYS 15 8.485 -3.867 -9.124 112 1HZ LYS 15 1HZ LYS 15 6.564 -3.185 -11.299 113 2HZ LYS 15 2HZ LYS 15 7.280 -4.630 -11.200 114 3HZ LYS 15 3HZ LYS 15 6.271 -4.136 -9.991 115 H ALA 16 H ALA 16 7.901 2.960 -6.823 116 HA ALA 16 HA ALA 16 9.458 4.973 -8.099 117 1HB ALA 16 1HB ALA 16 7.052 5.116 -7.295 118 2HB ALA 16 2HB ALA 16 7.722 5.297 -5.642 119 3HB ALA 16 3HB ALA 16 8.102 6.501 -6.853 120 H GLU 17 H GLU 17 9.582 3.587 -4.797 121 HA GLU 17 HA GLU 17 11.828 5.374 -4.096 122 1HB GLU 17 1HB GLU 17 11.746 4.160 -1.919 123 2HB GLU 17 2HB GLU 17 10.285 5.085 -2.343 124 1HG GLU 17 1HG GLU 17 9.103 3.101 -2.932 125 2HG GLU 17 2HG GLU 17 10.557 2.107 -2.877 126 H SER 18 H SER 18 11.180 1.930 -4.739 127 HA SER 18 HA SER 18 13.836 1.008 -4.137 128 1HB SER 18 1HB SER 18 11.922 -0.546 -4.157 129 2HB SER 18 2HB SER 18 11.738 -0.279 -5.907 130 HG SER 18 HG SER 18 13.260 -1.589 -6.289 131 H ASN 19 H ASN 19 12.114 1.400 -7.356 132 HA ASN 19 HA ASN 19 14.354 0.974 -8.976 133 1HB ASN 19 1HB ASN 19 11.749 1.396 -9.504 134 2HB ASN 19 2HB ASN 19 12.367 3.031 -9.727 135 1HD2 ASN 19 1HD2 ASN 19 14.867 2.595 -10.826 136 2HD2 ASN 19 2HD2 ASN 19 14.663 1.707 -12.341 137 H SER 20 H SER 20 13.470 3.659 -6.931 138 HA SER 20 HA SER 20 15.375 5.490 -8.249 139 1HB SER 20 1HB SER 20 14.617 7.156 -6.748 140 2HB SER 20 2HB SER 20 13.209 6.247 -7.337 141 HG SER 20 HG SER 20 14.040 5.095 -5.065 142 H HIS 21 H HIS 21 15.201 3.275 -5.516 143 HA HIS 21 HA HIS 21 17.274 4.333 -3.886 144 1HB HIS 21 1HB HIS 21 16.064 1.565 -4.257 145 2HB HIS 21 2HB HIS 21 17.554 1.713 -3.397 146 HD1 HIS 21 HD1 HIS 21 15.976 0.740 -1.385 147 HD2 HIS 21 HD2 HIS 21 15.210 4.647 -2.761 148 HE1 HIS 21 HE1 HIS 21 14.543 1.900 0.441 149 HE2 HIS 21 HE2 HIS 21 14.066 4.271 -0.425 150 H HIS 22 H HIS 22 17.376 2.375 -6.870 151 HA HIS 22 HA HIS 22 20.168 1.870 -6.698 152 1HB HIS 22 1HB HIS 22 18.848 1.942 -9.362 153 2HB HIS 22 2HB HIS 22 19.884 0.729 -8.639 154 HD1 HIS 22 HD1 HIS 22 17.109 0.236 -10.234 155 HD2 HIS 22 HD2 HIS 22 17.773 0.196 -6.042 156 HE1 HIS 22 HE1 HIS 22 15.213 -1.146 -9.177 157 HE2 HIS 22 HE2 HIS 22 15.650 -1.162 -6.584 158 H ALA 23 H ALA 23 18.148 4.348 -8.298 159 HA ALA 23 HA ALA 23 19.842 5.648 -9.857 160 1HB ALA 23 1HB ALA 23 18.430 7.543 -8.137 161 2HB ALA 23 2HB ALA 23 18.270 7.183 -9.882 162 3HB ALA 23 3HB ALA 23 17.383 6.226 -8.712 163 HA PRO 24 HA PRO 24 23.183 6.819 -7.207 164 1HB PRO 24 1HB PRO 24 24.435 8.649 -8.929 165 2HB PRO 24 2HB PRO 24 24.622 6.863 -8.977 166 1HG PRO 24 1HG PRO 24 23.109 8.668 -10.687 167 2HG PRO 24 2HG PRO 24 23.696 7.004 -11.088 168 1HD PRO 24 1HD PRO 24 21.038 7.811 -10.445 169 2HD PRO 24 2HD PRO 24 21.654 6.161 -10.605 170 H LEU 25 H LEU 25 22.864 8.063 -5.493 171 HA LEU 25 HA LEU 25 21.244 10.341 -5.461 172 1HB LEU 25 1HB LEU 25 22.393 8.634 -3.565 173 2HB LEU 25 2HB LEU 25 23.260 10.118 -3.289 174 HG LEU 25 HG LEU 25 21.333 11.319 -2.701 175 1HD1 LEU 25 1HD1 LEU 25 19.812 9.124 -4.069 176 2HD1 LEU 25 2HD1 LEU 25 19.045 10.157 -2.795 177 3HD1 LEU 25 3HD1 LEU 25 19.682 10.885 -4.231 178 1HD2 LEU 25 1HD2 LEU 25 20.310 9.888 -0.930 179 2HD2 LEU 25 2HD2 LEU 25 21.282 8.517 -1.572 180 3HD2 LEU 25 3HD2 LEU 25 22.051 9.972 -0.894 181 H SER 26 H SER 26 21.899 11.647 -7.147 182 HA SER 26 HA SER 26 23.912 13.635 -6.407 183 1HB SER 26 1HB SER 26 24.404 11.541 -8.493 184 2HB SER 26 2HB SER 26 24.877 13.239 -8.814 185 HG SER 26 HG SER 26 26.610 12.427 -7.813 186 H ASP 27 H ASP 27 23.721 15.518 -7.711 187 HA ASP 27 HA ASP 27 21.079 15.844 -8.972 188 1HB ASP 27 1HB ASP 27 21.733 17.702 -7.675 189 2HB ASP 27 2HB ASP 27 23.350 17.583 -8.258 190 H GLY 28 H GLY 28 21.414 14.299 -10.720 191 1HA GLY 28 1HA GLY 28 21.713 13.974 -13.014 192 2HA GLY 28 2HA GLY 28 22.227 15.679 -13.139 193 H LYS 29 H LYS 29 23.234 12.386 -12.500 194 HA LYS 29 HA LYS 29 25.909 12.965 -13.566 195 1HB LYS 29 1HB LYS 29 25.406 12.538 -10.661 196 2HB LYS 29 2HB LYS 29 26.762 11.647 -11.289 197 1HG LYS 29 1HG LYS 29 26.890 14.365 -12.342 198 2HG LYS 29 2HG LYS 29 26.706 14.410 -10.586 199 1HD LYS 29 1HD LYS 29 28.652 12.997 -10.328 200 2HD LYS 29 2HD LYS 29 28.721 12.662 -12.078 201 1HE LYS 29 1HE LYS 29 29.392 14.849 -12.627 202 2HE LYS 29 2HE LYS 29 28.888 15.515 -11.067 203 1HZ LYS 29 1HZ LYS 29 30.788 14.885 -10.110 204 2HZ LYS 29 2HZ LYS 29 30.872 13.438 -10.889 205 3HZ LYS 29 3HZ LYS 29 31.403 14.805 -11.632 206 H THR 30 H THR 30 23.929 11.595 -14.691 207 HA THR 30 HA THR 30 24.938 8.768 -14.539 208 HB THR 30 HB THR 30 22.729 7.976 -14.634 209 HG1 THR 30 HG1 THR 30 22.077 10.712 -15.072 210 1HG2 THR 30 1HG2 THR 30 21.786 10.208 -12.972 211 2HG2 THR 30 2HG2 THR 30 22.002 8.476 -12.606 212 3HG2 THR 30 3HG2 THR 30 23.362 9.602 -12.466 213 H GLY 31 H GLY 31 23.548 7.710 -16.614 214 1HA GLY 31 1HA GLY 31 24.936 8.956 -18.898 215 2HA GLY 31 2HA GLY 31 24.040 7.445 -18.885 216 H SER 32 H SER 32 21.586 7.949 -18.046 217 HA SER 32 HA SER 32 20.503 9.373 -20.395 218 1HB SER 32 1HB SER 32 19.603 7.207 -19.158 219 2HB SER 32 2HB SER 32 18.747 8.416 -18.168 220 HG SER 32 HG SER 32 17.414 8.012 -19.821 221 H SER 33 H SER 33 21.797 10.550 -17.683 222 HA SER 33 HA SER 33 21.804 12.704 -16.961 223 1HB SER 33 1HB SER 33 20.395 14.353 -17.685 224 2HB SER 33 2HB SER 33 20.152 13.159 -18.971 225 HG SER 33 HG SER 33 18.433 13.632 -16.743 226 H TYR 34 H TYR 34 18.612 11.208 -16.679 227 HA TYR 34 HA TYR 34 18.016 12.061 -14.162 228 1HB TYR 34 1HB TYR 34 17.219 9.576 -15.691 229 2HB TYR 34 2HB TYR 34 16.512 10.012 -14.152 230 HD1 TYR 34 HD1 TYR 34 16.566 10.644 -17.729 231 HD2 TYR 34 HD2 TYR 34 15.218 12.255 -13.935 232 HE1 TYR 34 HE1 TYR 34 14.946 12.125 -18.928 233 HE2 TYR 34 HE2 TYR 34 13.653 13.713 -15.214 234 HH TYR 34 HH TYR 34 13.499 14.747 -17.509 235 HA PRO 35 HA PRO 35 17.054 11.431 -12.336 236 1HB PRO 35 1HB PRO 35 17.749 11.871 -9.826 237 2HB PRO 35 2HB PRO 35 16.796 10.516 -10.278 238 1HG PRO 35 1HG PRO 35 19.596 10.592 -9.346 239 2HG PRO 35 2HG PRO 35 18.413 9.252 -9.436 240 1HD PRO 35 1HD PRO 35 20.567 9.845 -11.236 241 2HD PRO 35 2HD PRO 35 19.345 8.545 -11.441 242 H HIS 36 H HIS 36 17.245 13.642 -10.743 243 HA HIS 36 HA HIS 36 19.638 15.134 -11.219 244 1HB HIS 36 1HB HIS 36 18.641 16.822 -12.766 245 2HB HIS 36 2HB HIS 36 18.955 15.247 -13.507 246 HD1 HIS 36 HD1 HIS 36 16.952 17.247 -14.753 247 HD2 HIS 36 HD2 HIS 36 15.885 14.164 -12.096 248 HE1 HIS 36 HE1 HIS 36 14.447 16.674 -15.175 249 HE2 HIS 36 HE2 HIS 36 13.918 14.794 -13.495 250 H TRP 37 H TRP 37 19.450 17.426 -10.446 251 HA TRP 37 HA TRP 37 17.751 17.377 -8.070 252 1HB TRP 37 1HB TRP 37 19.788 18.508 -7.839 253 2HB TRP 37 2HB TRP 37 19.578 19.347 -9.351 254 HD1 TRP 37 HD1 TRP 37 17.527 19.540 -6.087 255 HE1 TRP 37 HE1 TRP 37 17.001 21.984 -5.671 256 HE3 TRP 37 HE3 TRP 37 19.863 21.447 -10.151 257 HZ2 TRP 37 HZ2 TRP 37 17.508 24.466 -6.951 258 HZ3 TRP 37 HZ3 TRP 37 19.823 23.912 -10.560 259 HH2 TRP 37 HH2 TRP 37 18.608 25.382 -8.977 260 H PHE 38 H PHE 38 15.817 18.267 -7.765 261 HA PHE 38 HA PHE 38 14.345 19.365 -10.096 262 1HB PHE 38 1HB PHE 38 13.300 17.447 -8.890 263 2HB PHE 38 2HB PHE 38 13.593 18.195 -7.355 264 HD1 PHE 38 HD1 PHE 38 12.205 19.570 -10.570 265 HD2 PHE 38 HD2 PHE 38 11.489 18.584 -6.450 266 HE1 PHE 38 HE1 PHE 38 9.937 20.598 -10.730 267 HE2 PHE 38 HE2 PHE 38 9.205 19.559 -6.597 268 HZ PHE 38 HZ PHE 38 8.423 20.569 -8.745 269 H THR 39 H THR 39 15.191 21.435 -10.038 270 HA THR 39 HA THR 39 15.627 23.270 -8.155 271 HB THR 39 HB THR 39 14.575 24.961 -9.688 272 HG1 THR 39 HG1 THR 39 13.635 22.611 -10.901 273 1HG2 THR 39 1HG2 THR 39 16.665 23.276 -10.379 274 2HG2 THR 39 2HG2 THR 39 15.543 22.994 -11.715 275 3HG2 THR 39 3HG2 THR 39 16.119 24.640 -11.361 276 H ASN 40 H ASN 40 12.422 21.955 -8.813 277 HA ASN 40 HA ASN 40 10.537 22.034 -7.629 278 1HB ASN 40 1HB ASN 40 11.920 21.287 -5.701 279 2HB ASN 40 2HB ASN 40 12.280 22.957 -5.301 280 1HD2 ASN 40 1HD2 ASN 40 9.169 22.078 -6.460 281 2HD2 ASN 40 2HD2 ASN 40 8.339 22.368 -4.918 282 H GLY 41 H GLY 41 11.942 24.506 -8.895 283 1HA GLY 41 1HA GLY 41 10.704 26.472 -9.570 284 2HA GLY 41 2HA GLY 41 9.854 26.428 -8.029 285 H TYR 42 H TYR 42 13.138 25.690 -7.471 286 HA TYR 42 HA TYR 42 13.661 28.419 -6.514 287 1HB TYR 42 1HB TYR 42 14.995 25.710 -6.007 288 2HB TYR 42 2HB TYR 42 15.465 27.177 -5.256 289 HD1 TYR 42 HD1 TYR 42 14.758 27.409 -3.100 290 HD2 TYR 42 HD2 TYR 42 12.139 25.304 -5.727 291 HE1 TYR 42 HE1 TYR 42 13.071 27.067 -1.246 292 HE2 TYR 42 HE2 TYR 42 10.533 24.998 -3.959 293 HH TYR 42 HH TYR 42 9.945 25.930 -1.767 294 H ASP 43 H ASP 43 15.958 29.108 -6.662 295 HA ASP 43 HA ASP 43 16.874 28.814 -9.458 296 1HB ASP 43 1HB ASP 43 17.221 30.706 -7.222 297 2HB ASP 43 2HB ASP 43 18.767 30.283 -7.927 298 H GLY 44 H GLY 44 17.872 27.889 -6.211 299 1HA GLY 44 1HA GLY 44 19.383 25.652 -6.904 300 2HA GLY 44 2HA GLY 44 20.519 26.992 -6.854 301 H ASP 45 H ASP 45 19.987 28.433 -4.790 302 HA ASP 45 HA ASP 45 19.892 26.578 -2.445 303 1HB ASP 45 1HB ASP 45 21.687 28.793 -3.263 304 2HB ASP 45 2HB ASP 45 20.974 29.067 -1.682 305 H GLY 46 H GLY 46 19.349 30.027 -3.274 306 1HA GLY 46 1HA GLY 46 17.644 30.601 -1.077 307 2HA GLY 46 2HA GLY 46 17.693 31.512 -2.628 308 H LYS 47 H LYS 47 15.358 31.091 -1.184 309 HA LYS 47 HA LYS 47 13.793 28.940 -2.036 310 1HB LYS 47 1HB LYS 47 11.889 30.108 -1.232 311 2HB LYS 47 2HB LYS 47 13.242 30.372 -0.135 312 1HG LYS 47 1HG LYS 47 13.685 32.555 -1.562 313 2HG LYS 47 2HG LYS 47 12.064 32.277 -2.189 314 1HD LYS 47 1HD LYS 47 11.499 33.614 -0.463 315 2HD LYS 47 2HD LYS 47 11.428 32.052 0.379 316 1HE LYS 47 1HE LYS 47 13.759 32.369 1.174 317 2HE LYS 47 2HE LYS 47 13.870 33.896 0.288 318 1HZ LYS 47 1HZ LYS 47 12.829 34.929 1.945 319 2HZ LYS 47 2HZ LYS 47 11.584 33.863 1.955 320 3HZ LYS 47 3HZ LYS 47 12.922 33.559 2.852 321 H LEU 48 H LEU 48 11.489 30.206 -3.156 322 HA LEU 48 HA LEU 48 12.392 30.202 -5.935 323 1HB LEU 48 1HB LEU 48 9.562 30.471 -4.844 324 2HB LEU 48 2HB LEU 48 10.075 30.113 -6.486 325 HG LEU 48 HG LEU 48 11.306 28.051 -5.412 326 1HD1 LEU 48 1HD1 LEU 48 10.972 28.357 -3.110 327 2HD1 LEU 48 2HD1 LEU 48 9.263 28.867 -3.298 328 3HD1 LEU 48 3HD1 LEU 48 9.770 27.201 -3.557 329 1HD2 LEU 48 1HD2 LEU 48 9.428 26.715 -5.919 330 2HD2 LEU 48 2HD2 LEU 48 8.259 28.016 -5.637 331 3HD2 LEU 48 3HD2 LEU 48 9.380 28.111 -6.993 332 HA PRO 49 HA PRO 49 12.335 34.547 -6.404 333 1HB PRO 49 1HB PRO 49 11.545 34.784 -9.086 334 2HB PRO 49 2HB PRO 49 13.186 34.373 -8.512 335 1HG PRO 49 1HG PRO 49 11.145 32.603 -9.750 336 2HG PRO 49 2HG PRO 49 12.920 32.377 -9.611 337 1HD PRO 49 1HD PRO 49 10.880 31.176 -8.027 338 2HD PRO 49 2HD PRO 49 12.630 31.033 -7.813 339 H LYS 50 H LYS 50 10.993 36.402 -6.730 340 HA LYS 50 HA LYS 50 8.424 36.189 -5.623 341 1HB LYS 50 1HB LYS 50 9.257 38.270 -5.359 342 2HB LYS 50 2HB LYS 50 9.958 38.351 -6.971 343 1HG LYS 50 1HG LYS 50 8.009 39.022 -7.990 344 2HG LYS 50 2HG LYS 50 6.945 38.285 -6.778 345 1HD LYS 50 1HD LYS 50 6.992 40.044 -5.391 346 2HD LYS 50 2HD LYS 50 8.668 40.476 -5.773 347 1HE LYS 50 1HE LYS 50 7.847 42.156 -6.992 348 2HE LYS 50 2HE LYS 50 7.464 40.944 -8.212 349 1HZ LYS 50 1HZ LYS 50 5.270 41.056 -7.718 350 2HZ LYS 50 2HZ LYS 50 5.505 41.248 -6.105 351 3HZ LYS 50 3HZ LYS 50 5.643 42.539 -7.107 352 H GLY 51 H GLY 51 7.215 34.642 -6.589 353 1HA GLY 51 1HA GLY 51 5.125 34.706 -8.064 354 2HA GLY 51 2HA GLY 51 6.234 35.218 -9.368 355 H ARG 52 H ARG 52 5.478 32.550 -7.130 356 HA ARG 52 HA ARG 52 5.697 30.612 -9.117 357 1HB ARG 52 1HB ARG 52 8.241 31.251 -8.632 358 2HB ARG 52 2HB ARG 52 8.011 30.389 -7.129 359 1HG ARG 52 1HG ARG 52 7.732 28.325 -8.252 360 2HG ARG 52 2HG ARG 52 7.096 29.073 -9.696 361 1HD ARG 52 1HD ARG 52 9.808 30.059 -9.378 362 2HD ARG 52 2HD ARG 52 9.791 28.335 -9.167 363 HE ARG 52 HE ARG 52 9.432 29.714 -11.606 364 1HH1 ARG 52 2HH2 ARG 52 8.373 26.876 -9.904 365 2HH1 ARG 52 1HH2 ARG 52 7.958 25.973 -11.337 366 1HH2 ARG 52 2HH1 ARG 52 8.907 28.564 -13.464 367 2HH2 ARG 52 1HH1 ARG 52 8.278 26.944 -13.362 368 H THR 53 H THR 53 5.269 28.463 -8.296 369 HA THR 53 HA THR 53 4.628 28.309 -5.427 370 HB THR 53 HB THR 53 2.653 28.298 -7.632 371 HG1 THR 53 HG1 THR 53 2.681 28.925 -4.870 372 1HG2 THR 53 1HG2 THR 53 1.053 27.152 -6.061 373 2HG2 THR 53 2HG2 THR 53 2.256 26.052 -6.750 374 3HG2 THR 53 3HG2 THR 53 2.456 26.632 -5.076 375 HA PRO 54 HA PRO 54 6.631 24.459 -6.529 376 1HB PRO 54 1HB PRO 54 7.294 23.758 -3.895 377 2HB PRO 54 2HB PRO 54 8.256 24.806 -4.950 378 1HG PRO 54 1HG PRO 54 6.609 25.565 -2.633 379 2HG PRO 54 2HG PRO 54 7.938 26.429 -3.424 380 1HD PRO 54 1HD PRO 54 5.158 26.922 -3.727 381 2HD PRO 54 2HD PRO 54 6.495 27.723 -4.576 382 H ILE 55 H ILE 55 6.449 22.170 -5.386 383 HA ILE 55 HA ILE 55 3.558 21.640 -5.318 384 HB ILE 55 HB ILE 55 5.855 19.657 -5.416 385 1HG1 ILE 55 1HG1 ILE 55 4.446 21.190 -7.647 386 2HG1 ILE 55 2HG1 ILE 55 6.177 20.998 -7.340 387 1HG2 ILE 55 1HG2 ILE 55 3.574 18.846 -4.694 388 2HG2 ILE 55 2HG2 ILE 55 2.917 19.440 -6.252 389 3HG2 ILE 55 3HG2 ILE 55 4.126 18.144 -6.193 390 1HD1 ILE 55 1HD1 ILE 55 4.253 19.078 -8.585 391 2HD1 ILE 55 2HD1 ILE 55 5.921 19.503 -9.063 392 3HD1 ILE 55 3HD1 ILE 55 5.652 18.430 -7.696 393 H LYS 56 H LYS 56 2.515 21.247 -3.500 394 HA LYS 56 HA LYS 56 4.036 21.194 -0.974 395 1HB LYS 56 1HB LYS 56 2.095 22.609 -1.080 396 2HB LYS 56 2HB LYS 56 1.045 21.298 -1.608 397 1HG LYS 56 1HG LYS 56 2.592 21.025 0.994 398 2HG LYS 56 2HG LYS 56 1.166 22.048 0.963 399 1HD LYS 56 1HD LYS 56 0.677 19.444 -0.361 400 2HD LYS 56 2HD LYS 56 1.211 19.237 1.296 401 1HE LYS 56 1HE LYS 56 -0.756 19.954 2.114 402 2HE LYS 56 2HE LYS 56 -0.754 21.400 1.098 403 1HZ LYS 56 1HZ LYS 56 -2.091 20.421 -0.382 404 2HZ LYS 56 2HZ LYS 56 -1.267 19.007 -0.378 405 3HZ LYS 56 3HZ LYS 56 -2.408 19.287 0.771 406 H PHE 57 H PHE 57 4.452 19.480 0.173 407 HA PHE 57 HA PHE 57 3.363 16.815 -0.685 408 1HB PHE 57 1HB PHE 57 5.902 17.436 0.870 409 2HB PHE 57 2HB PHE 57 5.449 15.906 0.126 410 HD1 PHE 57 HD1 PHE 57 7.107 19.117 -0.326 411 HD2 PHE 57 HD2 PHE 57 5.282 15.830 -2.431 412 HE1 PHE 57 HE1 PHE 57 8.333 19.756 -2.363 413 HE2 PHE 57 HE2 PHE 57 6.528 16.486 -4.507 414 HZ PHE 57 HZ PHE 57 8.049 18.454 -4.454 415 H GLY 58 H GLY 58 4.425 18.679 2.170 416 1HA GLY 58 1HA GLY 58 2.745 18.749 4.058 417 2HA GLY 58 2HA GLY 58 2.677 16.980 3.895 418 H LYS 59 H LYS 59 5.819 17.801 3.184 419 HA LYS 59 HA LYS 59 6.679 17.303 6.007 420 1HB LYS 59 1HB LYS 59 7.919 16.606 3.304 421 2HB LYS 59 2HB LYS 59 8.829 16.507 4.818 422 1HG LYS 59 1HG LYS 59 7.738 14.634 5.550 423 2HG LYS 59 2HG LYS 59 6.171 15.177 4.975 424 1HD LYS 59 1HD LYS 59 7.171 14.691 2.561 425 2HD LYS 59 2HD LYS 59 8.308 13.679 3.451 426 1HE LYS 59 1HE LYS 59 5.338 13.477 4.015 427 2HE LYS 59 2HE LYS 59 5.965 12.757 2.526 428 1HZ LYS 59 1HZ LYS 59 5.926 11.311 4.615 429 2HZ LYS 59 2HZ LYS 59 7.296 11.310 3.697 430 3HZ LYS 59 3HZ LYS 59 7.243 12.162 5.101 431 H SER 60 H SER 60 8.306 18.463 6.892 432 HA SER 60 HA SER 60 8.446 21.207 5.875 433 1HB SER 60 1HB SER 60 8.141 20.956 8.234 434 2HB SER 60 2HB SER 60 9.522 19.845 8.365 435 HG SER 60 HG SER 60 9.944 22.421 7.353 436 H ASP 61 H ASP 61 10.156 18.330 5.371 437 HA ASP 61 HA ASP 61 12.799 19.558 5.012 438 1HB ASP 61 1HB ASP 61 11.642 16.768 4.640 439 2HB ASP 61 2HB ASP 61 13.244 17.198 4.038 440 H CYS 62 H CYS 62 10.225 18.006 3.053 441 HA CYS 62 HA CYS 62 11.543 18.647 0.555 442 1HB CYS 62 1HB CYS 62 9.798 16.714 1.199 443 2HB CYS 62 2HB CYS 62 8.614 17.951 0.727 444 H ASP 63 H ASP 63 9.652 20.348 2.813 445 HA ASP 63 HA ASP 63 8.587 22.299 0.870 446 1HB ASP 63 1HB ASP 63 7.184 21.690 2.773 447 2HB ASP 63 2HB ASP 63 8.499 22.080 3.900 448 H ARG 64 H ARG 64 11.186 21.851 3.280 449 HA ARG 64 HA ARG 64 11.903 24.529 3.513 450 1HB ARG 64 1HB ARG 64 13.375 23.632 4.925 451 2HB ARG 64 2HB ARG 64 12.918 22.014 4.416 452 1HG ARG 64 1HG ARG 64 14.568 22.064 2.569 453 2HG ARG 64 2HG ARG 64 15.185 23.575 3.273 454 1HD ARG 64 1HD ARG 64 15.351 20.836 4.328 455 2HD ARG 64 2HD ARG 64 16.581 22.112 4.174 456 HE ARG 64 HE ARG 64 15.009 23.283 5.962 457 1HH1 ARG 64 2HH2 ARG 64 16.119 20.009 5.850 458 2HH1 ARG 64 1HH2 ARG 64 16.104 19.772 7.562 459 1HH2 ARG 64 2HH1 ARG 64 14.966 23.026 8.176 460 2HH2 ARG 64 1HH1 ARG 64 15.451 21.510 8.884 461 HA PRO 65 HA PRO 65 13.948 25.397 -0.200 462 1HB PRO 65 1HB PRO 65 16.030 27.105 0.597 463 2HB PRO 65 2HB PRO 65 14.324 27.563 0.373 464 1HG PRO 65 1HG PRO 65 15.789 27.166 2.906 465 2HG PRO 65 2HG PRO 65 14.265 28.063 2.592 466 1HD PRO 65 1HD PRO 65 14.561 25.474 3.726 467 2HD PRO 65 2HD PRO 65 13.044 26.297 3.330 468 HA PRO 66 HA PRO 66 17.320 22.538 -0.521 469 1HB PRO 66 1HB PRO 66 18.012 23.004 -3.183 470 2HB PRO 66 2HB PRO 66 16.646 21.984 -2.633 471 1HG PRO 66 1HG PRO 66 16.548 24.685 -3.870 472 2HG PRO 66 2HG PRO 66 15.269 23.432 -3.746 473 1HD PRO 66 1HD PRO 66 15.643 25.758 -2.103 474 2HD PRO 66 2HD PRO 66 14.393 24.469 -1.960 475 H LYS 67 H LYS 67 19.660 22.438 -1.256 476 HA LYS 67 HA LYS 67 20.957 25.096 -1.076 477 1HB LYS 67 1HB LYS 67 21.143 22.868 0.930 478 2HB LYS 67 2HB LYS 67 22.621 23.731 0.562 479 1HG LYS 67 1HG LYS 67 20.541 25.725 0.919 480 2HG LYS 67 2HG LYS 67 20.498 24.641 2.252 481 1HD LYS 67 1HD LYS 67 23.024 24.876 2.486 482 2HD LYS 67 2HD LYS 67 22.965 26.152 1.305 483 1HE LYS 67 1HE LYS 67 22.207 27.669 2.777 484 2HE LYS 67 2HE LYS 67 20.873 26.620 3.256 485 1HZ LYS 67 1HZ LYS 67 22.779 25.378 4.507 486 2HZ LYS 67 2HZ LYS 67 23.561 26.805 4.403 487 3HZ LYS 67 3HZ LYS 67 22.116 26.729 5.190 488 H HIS 68 H HIS 68 20.706 24.220 -3.392 489 HA HIS 68 HA HIS 68 22.834 22.350 -4.101 490 1HB HIS 68 1HB HIS 68 20.815 22.130 -5.375 491 2HB HIS 68 2HB HIS 68 20.799 23.863 -5.727 492 HD1 HIS 68 HD1 HIS 68 22.373 24.793 -7.566 493 HD2 HIS 68 HD2 HIS 68 22.542 20.624 -6.929 494 HE1 HIS 68 HE1 HIS 68 23.650 23.769 -9.595 495 HE2 HIS 68 HE2 HIS 68 23.663 21.183 -9.136 496 H SER 69 H SER 69 24.474 22.807 -5.684 497 HA SER 69 HA SER 69 25.271 25.632 -5.856 498 1HB SER 69 1HB SER 69 27.093 25.651 -4.483 499 2HB SER 69 2HB SER 69 26.111 24.480 -3.581 500 HG SER 69 HG SER 69 27.324 22.873 -5.026 501 H LYS 70 H LYS 70 28.023 25.000 -6.475 502 HA LYS 70 HA LYS 70 27.598 23.873 -9.210 503 1HB LYS 70 1HB LYS 70 29.255 25.972 -8.030 504 2HB LYS 70 2HB LYS 70 30.303 24.827 -8.806 505 1HG LYS 70 1HG LYS 70 27.800 25.671 -10.293 506 2HG LYS 70 2HG LYS 70 29.147 26.803 -10.151 507 1HD LYS 70 1HD LYS 70 30.642 24.794 -10.944 508 2HD LYS 70 2HD LYS 70 29.130 24.037 -11.434 509 1HE LYS 70 1HE LYS 70 29.186 25.232 -13.341 510 2HE LYS 70 2HE LYS 70 28.980 26.712 -12.399 511 1HZ LYS 70 1HZ LYS 70 31.664 25.582 -12.530 512 2HZ LYS 70 2HZ LYS 70 31.108 26.305 -13.891 513 3HZ LYS 70 3HZ LYS 70 31.210 27.151 -12.481 514 H ASP 71 H ASP 71 27.181 21.791 -8.271 515 HA ASP 71 HA ASP 71 29.412 20.074 -8.589 516 1HB ASP 71 1HB ASP 71 29.062 21.112 -5.859 517 2HB ASP 71 2HB ASP 71 28.785 19.392 -5.886 518 H GLY 72 H GLY 72 26.354 20.512 -6.789 519 1HA GLY 72 1HA GLY 72 24.349 19.407 -7.609 520 2HA GLY 72 2HA GLY 72 25.352 17.993 -8.015 521 H ASN 73 H ASN 73 26.761 17.341 -5.911 522 HA ASN 73 HA ASN 73 24.931 17.288 -3.534 523 1HB ASN 73 1HB ASN 73 26.052 14.890 -3.303 524 2HB ASN 73 2HB ASN 73 24.635 15.076 -4.307 525 1HD2 ASN 73 1HD2 ASN 73 27.996 14.395 -4.204 526 2HD2 ASN 73 2HD2 ASN 73 28.198 14.026 -5.930 527 H GLY 74 H GLY 74 26.545 19.214 -3.337 528 1HA GLY 74 1HA GLY 74 29.298 18.758 -2.744 529 2HA GLY 74 2HA GLY 74 28.325 20.145 -2.175 530 H LYS 75 H LYS 75 28.601 20.313 -0.041 531 HA LYS 75 HA LYS 75 29.328 18.142 1.686 532 1HB LYS 75 1HB LYS 75 28.240 20.957 2.077 533 2HB LYS 75 2HB LYS 75 28.266 19.873 3.468 534 1HG LYS 75 1HG LYS 75 30.813 19.496 2.389 535 2HG LYS 75 2HG LYS 75 30.513 21.218 2.114 536 1HD LYS 75 1HD LYS 75 29.909 21.454 4.542 537 2HD LYS 75 2HD LYS 75 30.198 19.713 4.753 538 1HE LYS 75 1HE LYS 75 32.561 20.257 3.715 539 2HE LYS 75 2HE LYS 75 32.202 21.922 4.183 540 1HZ LYS 75 1HZ LYS 75 31.734 19.889 6.210 541 2HZ LYS 75 2HZ LYS 75 33.302 20.136 5.824 542 3HZ LYS 75 3HZ LYS 75 32.387 21.386 6.379 543 H THR 76 H THR 76 26.388 19.736 2.597 544 HA THR 76 HA THR 76 25.022 17.059 2.519 545 HB THR 76 HB THR 76 25.689 18.459 4.774 546 HG1 THR 76 HG1 THR 76 24.796 16.299 4.320 547 1HG2 THR 76 1HG2 THR 76 22.727 18.860 4.669 548 2HG2 THR 76 2HG2 THR 76 23.900 19.650 5.723 549 3HG2 THR 76 3HG2 THR 76 23.758 20.158 4.024 550 H ASP 77 H ASP 77 25.194 19.375 0.529 551 HA ASP 77 HA ASP 77 23.077 21.029 0.259 552 1HB ASP 77 1HB ASP 77 24.657 20.770 -1.540 553 2HB ASP 77 2HB ASP 77 24.239 19.050 -1.751 554 H HIS 78 H HIS 78 21.065 20.618 1.062 555 HA HIS 78 HA HIS 78 19.853 17.944 0.681 556 1HB HIS 78 1HB HIS 78 17.988 18.997 2.056 557 2HB HIS 78 2HB HIS 78 19.515 18.659 2.856 558 HD1 HIS 78 HD1 HIS 78 17.175 21.434 2.029 559 HD2 HIS 78 HD2 HIS 78 21.190 20.936 3.242 560 HE1 HIS 78 HE1 HIS 78 17.933 23.703 3.013 561 HE2 HIS 78 HE2 HIS 78 20.363 23.395 3.738 562 H TYR 79 H TYR 79 20.130 18.564 -1.705 563 HA TYR 79 HA TYR 79 18.006 20.272 -2.750 564 1HB TYR 79 1HB TYR 79 19.139 20.010 -4.810 565 2HB TYR 79 2HB TYR 79 20.338 20.238 -3.696 566 HD1 TYR 79 HD1 TYR 79 18.887 17.908 -6.018 567 HD2 TYR 79 HD2 TYR 79 21.756 18.249 -2.885 568 HE1 TYR 79 HE1 TYR 79 20.037 15.822 -6.779 569 HE2 TYR 79 HE2 TYR 79 22.806 16.133 -3.538 570 HH TYR 79 HH TYR 79 21.388 13.929 -5.354 571 H LEU 80 H LEU 80 16.208 19.562 -3.835 572 HA LEU 80 HA LEU 80 15.470 16.737 -3.367 573 1HB LEU 80 1HB LEU 80 14.133 19.311 -4.197 574 2HB LEU 80 2HB LEU 80 13.469 17.875 -4.954 575 HG LEU 80 HG LEU 80 13.997 17.554 -2.035 576 1HD1 LEU 80 1HD1 LEU 80 11.993 18.865 -1.393 577 2HD1 LEU 80 2HD1 LEU 80 13.320 19.866 -1.951 578 3HD1 LEU 80 3HD1 LEU 80 11.916 19.557 -3.007 579 1HD2 LEU 80 1HD2 LEU 80 12.715 16.091 -3.807 580 2HD2 LEU 80 2HD2 LEU 80 12.149 16.179 -2.178 581 3HD2 LEU 80 3HD2 LEU 80 11.381 17.236 -3.369 582 H LEU 81 H LEU 81 15.325 15.129 -4.903 583 HA LEU 81 HA LEU 81 16.036 15.895 -7.703 584 1HB LEU 81 1HB LEU 81 18.057 15.216 -6.897 585 2HB LEU 81 2HB LEU 81 17.442 13.963 -5.832 586 HG LEU 81 HG LEU 81 17.016 13.582 -8.798 587 1HD1 LEU 81 1HD1 LEU 81 19.567 12.436 -7.854 588 2HD1 LEU 81 2HD1 LEU 81 19.206 13.291 -9.332 589 3HD1 LEU 81 3HD1 LEU 81 19.577 14.204 -7.933 590 1HD2 LEU 81 1HD2 LEU 81 16.539 12.116 -6.546 591 2HD2 LEU 81 2HD2 LEU 81 16.361 11.597 -8.193 592 3HD2 LEU 81 3HD2 LEU 81 17.918 11.309 -7.384 593 H GLU 82 H GLU 82 15.045 14.777 -9.243 594 HA GLU 82 HA GLU 82 12.893 12.974 -8.315 595 1HB GLU 82 1HB GLU 82 11.712 13.600 -10.332 596 2HB GLU 82 2HB GLU 82 12.214 15.083 -9.503 597 1HG GLU 82 1HG GLU 82 13.851 13.909 -11.708 598 2HG GLU 82 2HG GLU 82 12.368 14.685 -12.098 599 H PHE 83 H PHE 83 12.203 11.281 -9.930 600 HA PHE 83 HA PHE 83 14.465 10.340 -11.605 601 1HB PHE 83 1HB PHE 83 14.622 9.428 -9.218 602 2HB PHE 83 2HB PHE 83 13.086 8.607 -9.565 603 HD1 PHE 83 HD1 PHE 83 13.153 6.382 -10.050 604 HD2 PHE 83 HD2 PHE 83 16.363 8.954 -11.344 605 HE1 PHE 83 HE1 PHE 83 14.435 4.450 -11.024 606 HE2 PHE 83 HE2 PHE 83 17.558 7.038 -12.310 607 HZ PHE 83 HZ PHE 83 16.502 4.780 -12.089 608 HA PRO 84 HA PRO 84 10.915 9.224 -14.121 609 1HB PRO 84 1HB PRO 84 12.237 7.796 -16.080 610 2HB PRO 84 2HB PRO 84 12.122 9.566 -15.984 611 1HG PRO 84 1HG PRO 84 14.435 7.821 -15.380 612 2HG PRO 84 2HG PRO 84 14.366 9.542 -15.831 613 1HD PRO 84 1HD PRO 84 14.734 8.388 -13.258 614 2HD PRO 84 2HD PRO 84 14.524 10.128 -13.613 615 H THR 85 H THR 85 9.822 8.012 -12.602 616 HA THR 85 HA THR 85 10.552 5.229 -12.439 617 HB THR 85 HB THR 85 10.029 6.042 -10.329 618 HG1 THR 85 HG1 THR 85 7.604 5.023 -11.302 619 1HG2 THR 85 1HG2 THR 85 7.451 7.019 -10.220 620 2HG2 THR 85 2HG2 THR 85 8.916 8.003 -10.330 621 3HG2 THR 85 3HG2 THR 85 7.970 7.635 -11.793 622 H PHE 86 H PHE 86 9.812 3.736 -13.821 623 HA PHE 86 HA PHE 86 7.574 4.410 -15.552 624 1HB PHE 86 1HB PHE 86 9.448 2.015 -15.299 625 2HB PHE 86 2HB PHE 86 8.215 2.087 -16.499 626 HD1 PHE 86 HD1 PHE 86 11.087 4.220 -15.300 627 HD2 PHE 86 HD2 PHE 86 8.647 2.988 -18.607 628 HE1 PHE 86 HE1 PHE 86 12.641 5.344 -16.776 629 HE2 PHE 86 HE2 PHE 86 10.174 4.170 -20.118 630 HZ PHE 86 HZ PHE 86 12.209 5.344 -19.229 631 HA PRO 87 HA PRO 87 4.562 2.041 -13.420 632 1HB PRO 87 1HB PRO 87 3.044 1.031 -15.537 633 2HB PRO 87 2HB PRO 87 2.956 2.710 -14.936 634 1HG PRO 87 1HG PRO 87 4.163 1.738 -17.439 635 2HG PRO 87 2HG PRO 87 3.610 3.383 -16.977 636 1HD PRO 87 1HD PRO 87 6.266 2.383 -17.056 637 2HD PRO 87 2HD PRO 87 5.740 3.980 -16.480 638 H ASP 88 H ASP 88 5.885 0.289 -16.286 639 HA ASP 88 HA ASP 88 5.276 -2.305 -15.531 640 1HB ASP 88 1HB ASP 88 8.002 -1.658 -16.607 641 2HB ASP 88 2HB ASP 88 6.958 -3.016 -17.000 642 H GLY 89 H GLY 89 7.614 -0.071 -14.212 643 1HA GLY 89 1HA GLY 89 8.670 -0.149 -12.117 644 2HA GLY 89 2HA GLY 89 8.218 -1.863 -12.024 645 H HIS 90 H HIS 90 9.278 -2.137 -14.887 646 HA HIS 90 HA HIS 90 11.686 -3.431 -14.297 647 1HB HIS 90 1HB HIS 90 12.067 -3.531 -16.644 648 2HB HIS 90 2HB HIS 90 10.314 -3.524 -16.449 649 HD1 HIS 90 HD1 HIS 90 9.350 -2.283 -18.466 650 HD2 HIS 90 HD2 HIS 90 12.816 -0.450 -16.936 651 HE1 HIS 90 HE1 HIS 90 9.734 -0.105 -19.805 652 HE2 HIS 90 HE2 HIS 90 11.830 1.011 -18.785 653 H ASP 91 H ASP 91 13.879 -2.836 -14.320 654 HA ASP 91 HA ASP 91 14.462 -0.163 -13.382 655 1HB ASP 91 1HB ASP 91 15.865 -2.102 -12.828 656 2HB ASP 91 2HB ASP 91 16.173 -2.411 -14.550 657 H TYR 92 H TYR 92 15.170 1.607 -14.414 658 HA TYR 92 HA TYR 92 14.937 1.662 -17.339 659 1HB TYR 92 1HB TYR 92 15.451 4.173 -15.853 660 2HB TYR 92 2HB TYR 92 14.232 3.793 -17.027 661 HD1 TYR 92 HD1 TYR 92 14.480 5.037 -13.895 662 HD2 TYR 92 HD2 TYR 92 12.660 1.687 -15.840 663 HE1 TYR 92 HE1 TYR 92 12.717 4.883 -12.114 664 HE2 TYR 92 HE2 TYR 92 10.982 1.514 -13.931 665 HH TYR 92 HH TYR 92 11.080 3.651 -11.199 666 H LYS 93 H LYS 93 16.597 2.439 -18.665 667 HA LYS 93 HA LYS 93 19.293 2.140 -17.547 668 1HB LYS 93 1HB LYS 93 19.942 2.578 -19.967 669 2HB LYS 93 2HB LYS 93 19.046 1.092 -19.612 670 1HG LYS 93 1HG LYS 93 16.999 1.935 -20.510 671 2HG LYS 93 2HG LYS 93 17.564 3.611 -20.473 672 1HD LYS 93 1HD LYS 93 17.679 2.890 -22.726 673 2HD LYS 93 2HD LYS 93 19.355 2.937 -22.125 674 1HE LYS 93 1HE LYS 93 19.289 0.525 -21.893 675 2HE LYS 93 2HE LYS 93 17.545 0.497 -22.308 676 1HZ LYS 93 1HZ LYS 93 17.978 0.953 -24.490 677 2HZ LYS 93 2HZ LYS 93 19.405 1.725 -24.168 678 3HZ LYS 93 3HZ LYS 93 19.333 0.090 -24.124 679 H PHE 94 H PHE 94 18.833 3.945 -16.055 680 HA PHE 94 HA PHE 94 18.962 6.643 -17.212 681 1HB PHE 94 1HB PHE 94 18.973 7.239 -14.792 682 2HB PHE 94 2HB PHE 94 17.537 6.434 -15.347 683 HD1 PHE 94 HD1 PHE 94 20.658 6.117 -13.315 684 HD2 PHE 94 HD2 PHE 94 17.037 4.228 -14.569 685 HE1 PHE 94 HE1 PHE 94 20.953 4.329 -11.573 686 HE2 PHE 94 HE2 PHE 94 17.347 2.434 -12.916 687 HZ PHE 94 HZ PHE 94 19.272 2.486 -11.382 688 H ASP 95 H ASP 95 21.146 4.178 -16.313 689 HA ASP 95 HA ASP 95 23.341 6.049 -15.616 690 1HB ASP 95 1HB ASP 95 23.305 4.148 -14.238 691 2HB ASP 95 2HB ASP 95 22.919 3.057 -15.574 692 H SER 96 H SER 96 22.137 3.983 -18.205 693 HA SER 96 HA SER 96 24.615 4.287 -19.737 694 1HB SER 96 1HB SER 96 23.060 2.175 -19.607 695 2HB SER 96 2HB SER 96 22.100 3.017 -20.841 696 HG SER 96 HG SER 96 24.101 3.169 -22.078 697 H LYS 97 H LYS 97 24.874 6.205 -20.648 698 HA LYS 97 HA LYS 97 22.760 7.993 -21.350 699 1HB LYS 97 1HB LYS 97 24.418 9.424 -22.132 700 2HB LYS 97 2HB LYS 97 25.358 8.378 -21.071 701 1HG LYS 97 1HG LYS 97 26.040 6.999 -23.028 702 2HG LYS 97 2HG LYS 97 25.101 8.066 -24.084 703 1HD LYS 97 1HD LYS 97 26.917 9.620 -22.454 704 2HD LYS 97 2HD LYS 97 27.772 8.365 -23.363 705 1HE LYS 97 1HE LYS 97 25.652 9.804 -24.914 706 2HE LYS 97 2HE LYS 97 26.959 10.843 -24.350 707 1HZ LYS 97 1HZ LYS 97 27.054 8.835 -26.401 708 2HZ LYS 97 2HZ LYS 97 28.129 10.049 -26.070 709 3HZ LYS 97 3HZ LYS 97 28.226 8.622 -25.288 710 H LYS 98 H LYS 98 24.530 5.683 -23.332 711 HA LYS 98 HA LYS 98 22.265 5.716 -25.133 712 1HB LYS 98 1HB LYS 98 25.064 6.375 -26.003 713 2HB LYS 98 2HB LYS 98 23.891 5.610 -27.101 714 1HG LYS 98 1HG LYS 98 22.256 7.554 -26.190 715 2HG LYS 98 2HG LYS 98 23.770 8.343 -25.803 716 1HD LYS 98 1HD LYS 98 24.026 7.311 -28.479 717 2HD LYS 98 2HD LYS 98 22.411 7.993 -28.361 718 1HE LYS 98 1HE LYS 98 24.555 9.652 -27.126 719 2HE LYS 98 2HE LYS 98 24.770 9.393 -28.861 720 1HZ LYS 98 1HZ LYS 98 22.847 10.517 -29.332 721 2HZ LYS 98 2HZ LYS 98 22.119 10.165 -27.907 722 3HZ LYS 98 3HZ LYS 98 23.265 11.335 -27.966 723 HA PRO 99 HA PRO 99 21.333 4.602 -26.477 724 1HB PRO 99 1HB PRO 99 19.408 2.659 -26.266 725 2HB PRO 99 2HB PRO 99 20.554 2.888 -27.618 726 1HG PRO 99 1HG PRO 99 20.612 0.793 -25.512 727 2HG PRO 99 2HG PRO 99 21.363 0.796 -27.103 728 1HD PRO 99 1HD PRO 99 22.573 1.329 -24.525 729 2HD PRO 99 2HD PRO 99 23.360 1.401 -26.131 730 H LYS 100 H LYS 100 18.921 4.899 -25.675 731 HA LYS 100 HA LYS 100 18.775 4.875 -22.718 732 1HB LYS 100 1HB LYS 100 18.449 7.069 -22.426 733 2HB LYS 100 2HB LYS 100 19.763 7.021 -23.551 734 1HG LYS 100 1HG LYS 100 18.666 8.254 -25.070 735 2HG LYS 100 2HG LYS 100 17.395 7.100 -25.189 736 1HD LYS 100 1HD LYS 100 16.014 8.644 -24.308 737 2HD LYS 100 2HD LYS 100 16.711 8.235 -22.754 738 1HE LYS 100 1HE LYS 100 16.958 10.598 -22.913 739 2HE LYS 100 2HE LYS 100 18.564 9.930 -23.234 740 1HZ LYS 100 1HZ LYS 100 18.296 11.364 -25.010 741 2HZ LYS 100 2HZ LYS 100 17.645 9.998 -25.679 742 3HZ LYS 100 3HZ LYS 100 16.667 11.163 -25.099 743 H GLU 101 H GLU 101 16.631 4.951 -21.935 744 HA GLU 101 HA GLU 101 14.627 4.139 -23.992 745 1HB GLU 101 1HB GLU 101 15.233 2.550 -22.093 746 2HB GLU 101 2HB GLU 101 14.500 3.714 -20.986 747 1HG GLU 101 1HG GLU 101 12.619 2.452 -21.404 748 2HG GLU 101 2HG GLU 101 12.449 3.502 -22.790 749 H ASN 102 H ASN 102 12.598 5.055 -24.003 750 HA ASN 102 HA ASN 102 12.490 7.796 -23.527 751 1HB ASN 102 1HB ASN 102 10.894 5.967 -24.879 752 2HB ASN 102 2HB ASN 102 9.865 6.403 -23.503 753 1HD2 ASN 102 1HD2 ASN 102 8.395 7.603 -24.588 754 2HD2 ASN 102 2HD2 ASN 102 8.805 9.121 -25.402 755 HA PRO 103 HA PRO 103 11.604 7.497 -19.129 756 1HB PRO 103 1HB PRO 103 11.572 10.264 -18.627 757 2HB PRO 103 2HB PRO 103 13.013 9.231 -18.689 758 1HG PRO 103 1HG PRO 103 11.990 11.198 -20.679 759 2HG PRO 103 2HG PRO 103 13.655 10.562 -20.453 760 1HD PRO 103 1HD PRO 103 11.719 9.774 -22.425 761 2HD PRO 103 2HD PRO 103 13.332 9.069 -22.116 762 H GLY 104 H GLY 104 10.056 9.385 -17.779 763 1HA GLY 104 1HA GLY 104 7.475 9.459 -19.188 764 2HA GLY 104 2HA GLY 104 7.556 8.515 -17.668 765 HA PRO 105 HA PRO 105 6.886 13.076 -16.814 766 1HB PRO 105 1HB PRO 105 4.164 12.982 -16.163 767 2HB PRO 105 2HB PRO 105 4.823 13.427 -17.734 768 1HG PRO 105 1HG PRO 105 3.473 10.907 -16.903 769 2HG PRO 105 2HG PRO 105 3.686 11.600 -18.542 770 1HD PRO 105 1HD PRO 105 5.179 9.465 -17.325 771 2HD PRO 105 2HD PRO 105 5.469 10.237 -18.909 772 H ALA 106 H ALA 106 5.187 10.334 -15.188 773 HA ALA 106 HA ALA 106 5.285 11.435 -12.595 774 1HB ALA 106 1HB ALA 106 3.929 9.608 -13.397 775 2HB ALA 106 2HB ALA 106 5.370 8.542 -13.411 776 3HB ALA 106 3HB ALA 106 4.796 9.198 -11.875 777 H ARG 107 H ARG 107 6.806 11.455 -11.046 778 HA ARG 107 HA ARG 107 9.182 9.804 -11.306 779 1HB ARG 107 1HB ARG 107 9.247 12.865 -11.542 780 2HB ARG 107 2HB ARG 107 10.621 11.887 -10.961 781 1HG ARG 107 1HG ARG 107 10.092 10.518 -13.133 782 2HG ARG 107 2HG ARG 107 9.405 11.973 -13.738 783 1HD ARG 107 1HD ARG 107 12.101 12.257 -12.456 784 2HD ARG 107 2HD ARG 107 12.089 11.279 -13.898 785 HE ARG 107 HE ARG 107 11.573 14.116 -13.764 786 1HH1 ARG 107 2HH2 ARG 107 11.052 11.219 -15.594 787 2HH1 ARG 107 1HH2 ARG 107 10.794 12.025 -17.097 788 1HH2 ARG 107 2HH1 ARG 107 11.312 15.166 -15.737 789 2HH2 ARG 107 1HH1 ARG 107 11.014 14.217 -17.184 790 H VAL 108 H VAL 108 10.329 9.585 -9.357 791 HA VAL 108 HA VAL 108 8.757 10.329 -6.980 792 HB VAL 108 HB VAL 108 9.622 8.051 -7.333 793 1HG1 VAL 108 1HG1 VAL 108 11.736 7.579 -7.844 794 2HG1 VAL 108 2HG1 VAL 108 12.034 9.269 -8.014 795 3HG1 VAL 108 3HG1 VAL 108 12.390 8.537 -6.466 796 1HG2 VAL 108 1HG2 VAL 108 11.036 8.967 -4.855 797 2HG2 VAL 108 2HG2 VAL 108 9.343 9.426 -5.012 798 3HG2 VAL 108 3HG2 VAL 108 9.812 7.709 -5.088 799 H ILE 109 H ILE 109 9.088 12.166 -5.959 800 HA ILE 109 HA ILE 109 11.759 13.501 -6.241 801 HB ILE 109 HB ILE 109 8.955 14.515 -5.914 802 1HG1 ILE 109 1HG1 ILE 109 9.485 15.841 -7.819 803 2HG1 ILE 109 2HG1 ILE 109 11.211 15.475 -7.728 804 1HG2 ILE 109 1HG2 ILE 109 9.785 16.735 -5.405 805 2HG2 ILE 109 2HG2 ILE 109 10.350 15.600 -4.215 806 3HG2 ILE 109 3HG2 ILE 109 11.465 16.153 -5.524 807 1HD1 ILE 109 1HD1 ILE 109 9.811 14.183 -9.532 808 2HD1 ILE 109 2HD1 ILE 109 10.809 13.231 -8.452 809 3HD1 ILE 109 3HD1 ILE 109 9.078 13.367 -8.127 810 H TYR 110 H TYR 110 13.068 13.425 -4.610 811 HA TYR 110 HA TYR 110 11.937 13.404 -1.865 812 1HB TYR 110 1HB TYR 110 13.438 11.535 -1.315 813 2HB TYR 110 2HB TYR 110 12.270 11.067 -2.535 814 HD1 TYR 110 HD1 TYR 110 13.041 9.912 -4.435 815 HD2 TYR 110 HD2 TYR 110 15.817 12.447 -2.312 816 HE1 TYR 110 HE1 TYR 110 14.922 9.160 -5.891 817 HE2 TYR 110 HE2 TYR 110 17.618 11.779 -3.795 818 HH TYR 110 HH TYR 110 17.102 9.715 -6.508 819 H THR 111 H THR 111 13.302 14.223 -0.319 820 HA THR 111 HA THR 111 15.329 16.083 -1.341 821 HB THR 111 HB THR 111 15.219 17.039 0.799 822 HG1 THR 111 HG1 THR 111 14.506 14.431 1.554 823 1HG2 THR 111 1HG2 THR 111 12.830 16.736 -0.317 824 2HG2 THR 111 2HG2 THR 111 12.537 15.588 0.976 825 3HG2 THR 111 3HG2 THR 111 12.963 17.270 1.349 826 H TYR 112 H TYR 112 17.513 16.228 -0.468 827 HA TYR 112 HA TYR 112 18.580 13.514 -0.062 828 1HB TYR 112 1HB TYR 112 19.433 14.247 -2.044 829 2HB TYR 112 2HB TYR 112 19.493 15.932 -1.543 830 HD1 TYR 112 HD1 TYR 112 21.524 13.239 -2.309 831 HD2 TYR 112 HD2 TYR 112 21.192 16.390 0.540 832 HE1 TYR 112 HE1 TYR 112 23.973 13.033 -1.766 833 HE2 TYR 112 HE2 TYR 112 23.566 16.265 1.030 834 HH TYR 112 HH TYR 112 25.548 13.664 -0.050 835 HA PRO 113 HA PRO 113 20.642 12.817 0.303 836 1HB PRO 113 1HB PRO 113 21.654 11.232 2.280 837 2HB PRO 113 2HB PRO 113 22.583 12.438 1.349 838 1HG PRO 113 1HG PRO 113 21.620 12.584 4.158 839 2HG PRO 113 2HG PRO 113 22.941 13.494 3.363 840 1HD PRO 113 1HD PRO 113 20.278 14.457 3.957 841 2HD PRO 113 2HD PRO 113 21.536 15.290 3.032 842 H ASN 114 H ASN 114 19.288 12.338 3.542 843 HA ASN 114 HA ASN 114 18.042 9.898 3.206 844 1HB ASN 114 1HB ASN 114 18.015 11.395 5.285 845 2HB ASN 114 2HB ASN 114 16.736 12.350 4.529 846 1HD2 ASN 114 1HD2 ASN 114 16.863 10.544 6.921 847 2HD2 ASN 114 2HD2 ASN 114 15.491 9.442 6.683 848 H LYS 115 H LYS 115 16.863 9.297 1.465 849 HA LYS 115 HA LYS 115 15.444 11.101 -0.244 850 1HB LYS 115 1HB LYS 115 15.754 8.109 0.009 851 2HB LYS 115 2HB LYS 115 14.413 8.663 -0.958 852 1HG LYS 115 1HG LYS 115 15.656 9.217 -2.626 853 2HG LYS 115 2HG LYS 115 16.798 10.191 -1.637 854 1HD LYS 115 1HD LYS 115 16.892 7.212 -2.146 855 2HD LYS 115 2HD LYS 115 17.845 8.424 -2.968 856 1HE LYS 115 1HE LYS 115 19.352 8.027 -1.281 857 2HE LYS 115 2HE LYS 115 18.371 9.226 -0.430 858 1HZ LYS 115 1HZ LYS 115 17.222 6.687 -0.181 859 2HZ LYS 115 2HZ LYS 115 18.803 6.560 0.266 860 3HZ LYS 115 3HZ LYS 115 17.794 7.634 1.016 861 H VAL 116 H VAL 116 14.379 12.170 1.501 862 HA VAL 116 HA VAL 116 12.252 10.955 2.976 863 HB VAL 116 HB VAL 116 12.628 13.899 2.275 864 1HG1 VAL 116 1HG1 VAL 116 10.939 14.384 3.670 865 2HG1 VAL 116 2HG1 VAL 116 10.443 12.692 3.499 866 3HG1 VAL 116 3HG1 VAL 116 11.437 13.171 4.880 867 1HG2 VAL 116 1HG2 VAL 116 13.600 13.853 4.735 868 2HG2 VAL 116 2HG2 VAL 116 13.941 12.138 4.321 869 3HG2 VAL 116 3HG2 VAL 116 14.600 13.480 3.381 870 H PHE 117 H PHE 117 11.476 9.790 1.017 871 HA PHE 117 HA PHE 117 10.345 10.474 -1.252 872 1HB PHE 117 1HB PHE 117 10.188 8.220 -0.305 873 2HB PHE 117 2HB PHE 117 9.129 8.811 0.978 874 HD1 PHE 117 HD1 PHE 117 9.295 8.636 -2.761 875 HD2 PHE 117 HD2 PHE 117 6.825 8.593 0.768 876 HE1 PHE 117 HE1 PHE 117 7.296 8.208 -4.167 877 HE2 PHE 117 HE2 PHE 117 4.856 8.103 -0.606 878 HZ PHE 117 HZ PHE 117 5.081 8.005 -3.089 879 H CYS 118 H CYS 118 9.447 12.445 -1.695 880 HA CYS 118 HA CYS 118 7.570 13.601 0.182 881 1HB CYS 118 1HB CYS 118 8.216 14.649 -2.586 882 2HB CYS 118 2HB CYS 118 7.630 15.487 -1.149 883 H GLY 119 H GLY 119 7.574 12.231 -3.125 884 1HA GLY 119 1HA GLY 119 5.279 10.802 -3.091 885 2HA GLY 119 2HA GLY 119 4.695 12.461 -3.409 886 H ILE 120 H ILE 120 4.026 11.978 -5.533 887 HA ILE 120 HA ILE 120 6.303 11.493 -7.420 888 HB ILE 120 HB ILE 120 3.508 10.403 -7.819 889 1HG1 ILE 120 1HG1 ILE 120 5.013 9.422 -5.730 890 2HG1 ILE 120 2HG1 ILE 120 3.869 8.577 -6.697 891 1HG2 ILE 120 1HG2 ILE 120 4.588 9.032 -9.523 892 2HG2 ILE 120 2HG2 ILE 120 4.961 10.743 -9.846 893 3HG2 ILE 120 3HG2 ILE 120 6.173 9.725 -9.104 894 1HD1 ILE 120 1HD1 ILE 120 6.812 8.645 -7.227 895 2HD1 ILE 120 2HD1 ILE 120 5.917 7.339 -6.383 896 3HD1 ILE 120 3HD1 ILE 120 5.585 7.633 -8.091 897 H ILE 121 H ILE 121 6.411 12.980 -9.001 898 HA ILE 121 HA ILE 121 4.045 14.843 -9.252 899 HB ILE 121 HB ILE 121 5.462 16.650 -9.524 900 1HG1 ILE 121 1HG1 ILE 121 7.887 14.859 -9.677 901 2HG1 ILE 121 2HG1 ILE 121 7.084 15.495 -11.108 902 1HG2 ILE 121 1HG2 ILE 121 7.092 16.518 -7.512 903 2HG2 ILE 121 2HG2 ILE 121 5.395 16.149 -7.230 904 3HG2 ILE 121 3HG2 ILE 121 6.597 14.848 -7.313 905 1HD1 ILE 121 1HD1 ILE 121 8.781 17.022 -10.791 906 2HD1 ILE 121 2HD1 ILE 121 7.325 17.790 -10.037 907 3HD1 ILE 121 3HD1 ILE 121 8.565 17.133 -9.043 908 H ALA 122 H ALA 122 3.684 15.736 -11.353 909 HA ALA 122 HA ALA 122 5.091 14.866 -13.679 910 1HB ALA 122 1HB ALA 122 2.560 13.461 -14.004 911 2HB ALA 122 2HB ALA 122 4.214 12.870 -14.101 912 3HB ALA 122 3HB ALA 122 3.441 12.840 -12.558 913 H HIS 123 H HIS 123 4.099 15.672 -15.627 914 HA HIS 123 HA HIS 123 2.262 17.886 -15.019 915 1HB HIS 123 1HB HIS 123 3.522 17.366 -17.750 916 2HB HIS 123 2HB HIS 123 3.001 18.871 -17.038 917 HD1 HIS 123 HD1 HIS 123 4.852 20.317 -15.998 918 HD2 HIS 123 HD2 HIS 123 5.858 16.222 -16.392 919 HE1 HIS 123 HE1 HIS 123 7.328 20.091 -15.303 920 HE2 HIS 123 HE2 HIS 123 7.898 17.561 -15.478 921 H THR 124 H THR 124 0.247 17.131 -14.845 922 HA THR 124 HA THR 124 -0.777 15.315 -16.987 923 HB THR 124 HB THR 124 -0.973 14.807 -14.465 924 HG1 THR 124 HG1 THR 124 -2.508 13.511 -15.233 925 1HG2 THR 124 1HG2 THR 124 -3.582 16.299 -14.603 926 2HG2 THR 124 2HG2 THR 124 -2.680 15.826 -13.226 927 3HG2 THR 124 3HG2 THR 124 -2.138 17.244 -14.222 928 H LYS 125 H LYS 125 -0.244 17.778 -17.872 929 HA LYS 125 HA LYS 125 -2.962 19.090 -18.078 930 1HB LYS 125 1HB LYS 125 -1.413 20.583 -17.047 931 2HB LYS 125 2HB LYS 125 -0.186 20.296 -18.293 932 1HG LYS 125 1HG LYS 125 -1.336 21.500 -19.923 933 2HG LYS 125 2HG LYS 125 -2.919 21.274 -19.151 934 1HD LYS 125 1HD LYS 125 -2.415 22.821 -17.393 935 2HD LYS 125 2HD LYS 125 -0.736 22.976 -17.927 936 1HE LYS 125 1HE LYS 125 -2.658 23.522 -20.103 937 2HE LYS 125 2HE LYS 125 -2.931 24.566 -18.703 938 1HZ LYS 125 1HZ LYS 125 -1.326 25.675 -19.947 939 2HZ LYS 125 2HZ LYS 125 -0.439 24.943 -18.783 940 3HZ LYS 125 3HZ LYS 125 -0.479 24.312 -20.310 941 H GLU 126 H GLU 126 -0.359 17.500 -19.765 942 HA GLU 126 HA GLU 126 -1.949 16.971 -21.996 943 1HB GLU 126 1HB GLU 126 -0.835 19.629 -22.078 944 2HB GLU 126 2HB GLU 126 0.124 18.686 -23.166 945 1HG GLU 126 1HG GLU 126 -2.861 18.279 -23.324 946 2HG GLU 126 2HG GLU 126 -2.239 19.837 -23.843 947 H ASN 127 H ASN 127 1.459 17.905 -21.659 948 HA ASN 127 HA ASN 127 2.312 15.120 -21.616 949 1HB ASN 127 1HB ASN 127 2.220 16.658 -24.128 950 2HB ASN 127 2HB ASN 127 3.900 16.357 -23.685 951 1HD2 ASN 127 1HD2 ASN 127 3.922 15.119 -25.634 952 2HD2 ASN 127 2HD2 ASN 127 3.358 13.434 -25.548 953 H GLN 128 H GLN 128 3.249 18.522 -21.957 954 HA GLN 128 HA GLN 128 5.071 18.297 -19.744 955 1HB GLN 128 1HB GLN 128 6.670 17.590 -21.276 956 2HB GLN 128 2HB GLN 128 6.050 18.606 -22.585 957 1HG GLN 128 1HG GLN 128 7.180 20.487 -21.877 958 2HG GLN 128 2HG GLN 128 7.042 20.061 -20.158 959 1HE2 GLN 128 1HE2 GLN 128 8.843 19.695 -19.229 960 2HE2 GLN 128 2HE2 GLN 128 10.269 18.978 -20.025 961 H GLY 129 H GLY 129 3.348 19.692 -18.974 962 1HA GLY 129 1HA GLY 129 3.845 22.554 -19.825 963 2HA GLY 129 2HA GLY 129 2.220 21.929 -19.507 964 H GLU 130 H GLU 130 1.497 21.930 -17.428 965 HA GLU 130 HA GLU 130 3.261 23.172 -15.425 966 1HB GLU 130 1HB GLU 130 0.356 22.973 -15.916 967 2HB GLU 130 2HB GLU 130 0.779 22.508 -14.275 968 1HG GLU 130 1HG GLU 130 2.283 24.670 -14.272 969 2HG GLU 130 2HG GLU 130 1.375 25.112 -15.726 970 H LEU 131 H LEU 131 3.748 22.286 -13.401 971 HA LEU 131 HA LEU 131 3.606 19.308 -13.397 972 1HB LEU 131 1HB LEU 131 5.857 20.635 -13.423 973 2HB LEU 131 2HB LEU 131 5.496 21.021 -11.748 974 HG LEU 131 HG LEU 131 5.677 18.760 -11.062 975 1HD1 LEU 131 1HD1 LEU 131 4.527 17.449 -12.395 976 2HD1 LEU 131 2HD1 LEU 131 5.177 18.072 -13.880 977 3HD1 LEU 131 3HD1 LEU 131 6.148 16.931 -12.926 978 1HD2 LEU 131 1HD2 LEU 131 7.901 18.058 -12.422 979 2HD2 LEU 131 2HD2 LEU 131 7.800 19.704 -13.035 980 3HD2 LEU 131 3HD2 LEU 131 7.885 19.432 -11.303 981 H LYS 132 H LYS 132 2.919 18.202 -11.615 982 HA LYS 132 HA LYS 132 1.982 19.677 -9.260 983 1HB LYS 132 1HB LYS 132 -0.299 18.698 -9.520 984 2HB LYS 132 2HB LYS 132 0.062 20.054 -10.561 985 1HG LYS 132 1HG LYS 132 -0.180 18.876 -12.485 986 2HG LYS 132 2HG LYS 132 0.752 17.523 -11.878 987 1HD LYS 132 1HD LYS 132 -1.806 17.627 -10.487 988 2HD LYS 132 2HD LYS 132 -2.016 17.631 -12.191 989 1HE LYS 132 1HE LYS 132 -0.746 15.527 -12.432 990 2HE LYS 132 2HE LYS 132 -0.049 15.707 -10.821 991 1HZ LYS 132 1HZ LYS 132 -1.741 14.244 -10.378 992 2HZ LYS 132 2HZ LYS 132 -2.546 15.632 -10.129 993 3HZ LYS 132 3HZ LYS 132 -2.754 14.825 -11.545 994 H LEU 133 H LEU 133 0.823 18.005 -7.811 995 HA LEU 133 HA LEU 133 2.687 15.715 -7.616 996 1HB LEU 133 1HB LEU 133 2.109 17.305 -5.685 997 2HB LEU 133 2HB LEU 133 0.541 16.565 -5.633 998 HG LEU 133 HG LEU 133 1.739 14.337 -5.252 999 1HD1 LEU 133 1HD1 LEU 133 4.229 14.996 -4.227 1000 2HD1 LEU 133 2HD1 LEU 133 3.935 14.349 -5.778 1001 3HD1 LEU 133 3HD1 LEU 133 4.106 16.088 -5.607 1002 1HD2 LEU 133 1HD2 LEU 133 1.081 14.901 -3.199 1003 2HD2 LEU 133 2HD2 LEU 133 2.714 15.485 -2.871 1004 3HD2 LEU 133 3HD2 LEU 133 1.482 16.616 -3.416 1005 H CYS 134 H CYS 134 2.068 13.608 -7.685 1006 HA CYS 134 HA CYS 134 -0.270 12.951 -9.279 1007 1HB CYS 134 1HB CYS 134 1.610 11.128 -7.753 1008 2HB CYS 134 2HB CYS 134 0.548 10.664 -9.019 1009 H SER 135 H SER 135 -1.411 10.811 -8.278 1010 HA SER 135 HA SER 135 -2.177 11.298 -5.445 1011 1HB SER 135 1HB SER 135 -4.161 11.489 -7.758 1012 2HB SER 135 2HB SER 135 -4.585 11.383 -6.032 1013 HG SER 135 HG SER 135 -3.477 13.510 -7.467 1014 H HIS 136 H HIS 136 -1.527 9.283 -4.889 1015 HA HIS 136 HA HIS 136 -2.077 6.901 -6.415 1016 1HB HIS 136 1HB HIS 136 -1.428 5.814 -4.271 1017 2HB HIS 136 2HB HIS 136 -0.198 6.812 -4.947 1018 HD1 HIS 136 HD1 HIS 136 0.742 6.718 -2.413 1019 HD2 HIS 136 HD2 HIS 136 -2.702 8.981 -3.124 1020 HE1 HIS 136 HE1 HIS 136 0.517 8.333 -0.385 1021 HE2 HIS 136 HE2 HIS 136 -1.611 9.756 -0.897
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