NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20875 | 2go0 | 6231 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 1HT ARG 1 -5.429 19.524 9.018 2 2H ARG 1 2HT ARG 1 -5.065 20.917 9.918 3 3H ARG 1 3HT ARG 1 -4.036 19.568 9.983 4 HA ARG 1 HA ARG 1 -4.468 21.418 7.711 5 1HB ARG 1 2HB ARG 1 -2.822 22.142 9.370 6 2HB ARG 1 1HB ARG 1 -2.030 20.568 9.304 7 1HG ARG 1 2HG ARG 1 -1.266 20.919 7.086 8 2HG ARG 1 1HG ARG 1 -2.373 22.270 6.832 9 1HD ARG 1 2HD ARG 1 -1.137 23.653 8.392 10 2HD ARG 1 1HD ARG 1 -0.117 22.293 8.857 11 HE ARG 1 HE ARG 1 -0.001 22.891 6.001 12 1HH1 ARG 1 1HH1 ARG 1 1.776 22.386 8.764 13 2HH1 ARG 1 2HH1 ARG 1 3.040 23.510 8.388 14 1HH2 ARG 1 1HH2 ARG 1 1.377 24.875 5.668 15 2HH2 ARG 1 2HH2 ARG 1 2.814 24.920 6.635 16 H CYS 2 H CYS 2 -4.929 20.131 5.964 17 HA CYS 2 HA CYS 2 -2.930 18.121 5.219 18 1HB CYS 2 2HB CYS 2 -5.204 17.262 6.502 19 2HB CYS 2 1HB CYS 2 -5.685 17.141 4.812 20 HA PRO 3 HA PRO 3 -3.641 20.141 1.314 21 1HB PRO 3 2HB PRO 3 -3.069 17.759 -0.201 22 2HB PRO 3 1HB PRO 3 -2.024 19.152 0.086 23 1HG PRO 3 2HG PRO 3 -1.846 16.511 1.240 24 2HG PRO 3 1HG PRO 3 -0.738 17.872 1.436 25 1HD PRO 3 2HD PRO 3 -2.514 16.810 3.398 26 2HD PRO 3 1HD PRO 3 -1.534 18.291 3.530 27 H LYS 4 H LYS 4 -5.093 19.997 -0.584 28 HA LYS 4 HA LYS 4 -7.690 19.038 0.050 29 1HB LYS 4 2HB LYS 4 -6.537 19.763 -2.658 30 2HB LYS 4 1HB LYS 4 -8.253 19.613 -2.280 31 1HG LYS 4 2HG LYS 4 -8.167 21.471 -0.758 32 2HG LYS 4 1HG LYS 4 -6.404 21.518 -0.824 33 1HD LYS 4 2HD LYS 4 -6.575 22.032 -3.279 34 2HD LYS 4 1HD LYS 4 -8.323 22.156 -3.083 35 1HE LYS 4 2HE LYS 4 -8.093 23.999 -1.544 36 2HE LYS 4 1HE LYS 4 -6.344 23.789 -1.471 37 1HZ LYS 4 1HZ LYS 4 -7.967 24.695 -3.778 38 2HZ LYS 4 2HZ LYS 4 -6.342 24.222 -3.923 39 3HZ LYS 4 3HZ LYS 4 -6.758 25.556 -2.956 40 H GLY 5 H GLY 5 -8.754 17.154 -0.573 41 1HA GLY 5 2HA GLY 5 -9.012 14.991 -1.484 42 2HA GLY 5 1HA GLY 5 -7.561 15.277 -2.456 43 H SER 6 H SER 6 -6.511 16.242 0.363 44 HA SER 6 HA SER 6 -5.302 13.605 1.005 45 1HB SER 6 2HB SER 6 -3.581 14.793 1.997 46 2HB SER 6 1HB SER 6 -4.156 16.025 0.881 47 HG SER 6 HG SER 6 -5.658 16.495 2.784 48 H LYS 7 H LYS 7 -5.500 12.633 3.097 49 HA LYS 7 HA LYS 7 -7.504 13.882 4.932 50 1HB LYS 7 2HB LYS 7 -7.513 10.997 3.999 51 2HB LYS 7 1HB LYS 7 -8.564 11.664 5.249 52 1HG LYS 7 2HG LYS 7 -9.308 13.377 3.489 53 2HG LYS 7 1HG LYS 7 -8.512 12.345 2.303 54 1HD LYS 7 2HD LYS 7 -10.501 11.164 4.234 55 2HD LYS 7 1HD LYS 7 -11.059 11.988 2.780 56 1HE LYS 7 2HE LYS 7 -9.953 10.456 1.349 57 2HE LYS 7 1HE LYS 7 -8.955 9.824 2.658 58 1HZ LYS 7 1HZ LYS 7 -11.542 9.011 1.831 59 2HZ LYS 7 2HZ LYS 7 -11.567 9.478 3.465 60 3HZ LYS 7 3HZ LYS 7 -10.491 8.272 2.938 61 H ALA 8 H ALA 8 -6.966 13.665 7.083 62 HA ALA 8 HA ALA 8 -4.354 12.441 7.675 63 1HB ALA 8 1HB ALA 8 -4.519 13.539 9.811 64 2HB ALA 8 2HB ALA 8 -6.245 13.826 9.588 65 3HB ALA 8 3HB ALA 8 -5.071 14.686 8.590 66 H TYR 9 H TYR 9 -4.092 10.938 9.477 67 HA TYR 9 HA TYR 9 -6.354 9.590 10.661 68 1HB TYR 9 2HB TYR 9 -6.374 8.737 8.253 69 2HB TYR 9 1HB TYR 9 -4.830 7.964 8.612 70 HD1 TYR 9 1HD TYR 9 -8.444 7.969 9.290 71 HD2 TYR 9 2HD TYR 9 -4.680 6.123 10.226 72 HE1 TYR 9 1HE TYR 9 -9.637 6.080 10.365 73 HE2 TYR 9 2HE TYR 9 -5.873 4.234 11.301 74 HH TYR 9 HH TYR 9 -9.302 3.819 11.004 75 H GLY 10 H GLY 10 -5.608 8.627 12.517 76 1HA GLY 10 2HA GLY 10 -4.093 7.714 14.066 77 2HA GLY 10 1HA GLY 10 -3.045 7.315 12.704 78 H SER 11 H SER 11 -1.752 9.158 11.789 79 HA SER 11 HA SER 11 -1.463 11.619 13.256 80 1HB SER 11 2HB SER 11 0.452 11.236 14.554 81 2HB SER 11 1HB SER 11 -0.471 9.756 14.798 82 HG SER 11 HG SER 11 1.515 9.066 14.228 83 H HIS 12 H HIS 12 -1.617 10.792 10.487 84 HA HIS 12 HA HIS 12 0.788 12.155 9.498 85 1HB HIS 12 2HB HIS 12 0.029 9.347 8.631 86 2HB HIS 12 1HB HIS 12 1.232 10.354 7.831 87 HD1 HIS 12 1HD HIS 12 3.436 10.876 9.166 88 HD2 HIS 12 2HD HIS 12 0.891 8.155 11.034 89 HE1 HIS 12 1HE HIS 12 4.788 9.778 11.005 90 H CYS 13 H CYS 13 0.370 13.157 7.480 91 HA CYS 13 HA CYS 13 -2.484 13.312 6.761 92 1HB CYS 13 2HB CYS 13 -0.109 14.971 6.406 93 2HB CYS 13 1HB CYS 13 -1.000 14.803 4.895 94 H TYR 14 H TYR 14 -3.355 12.084 5.147 95 HA TYR 14 HA TYR 14 -1.468 10.533 3.455 96 1HB TYR 14 2HB TYR 14 -4.425 10.164 3.995 97 2HB TYR 14 1HB TYR 14 -3.462 9.128 2.942 98 HD1 TYR 14 1HD TYR 14 -3.477 10.514 6.431 99 HD2 TYR 14 2HD TYR 14 -2.380 7.259 3.851 100 HE1 TYR 14 1HE TYR 14 -2.732 9.206 8.397 101 HE2 TYR 14 2HE TYR 14 -1.631 5.955 5.822 102 HH TYR 14 HH TYR 14 -2.487 6.327 8.704 103 H ALA 15 H ALA 15 -1.548 10.628 1.205 104 HA ALA 15 HA ALA 15 -3.569 12.410 -0.053 105 1HB ALA 15 1HB ALA 15 -0.565 12.738 -0.231 106 2HB ALA 15 2HB ALA 15 -1.747 13.932 0.300 107 3HB ALA 15 3HB ALA 15 -1.675 13.456 -1.397 108 H LEU 16 H LEU 16 -4.146 11.712 -2.093 109 HA LEU 16 HA LEU 16 -2.984 9.135 -2.981 110 1HB LEU 16 2HB LEU 16 -5.398 9.223 -2.908 111 2HB LEU 16 1HB LEU 16 -5.424 10.718 -3.840 112 HG LEU 16 HG LEU 16 -4.533 9.553 -5.799 113 1HD1 LEU 16 1HD1 LEU 16 -4.331 7.266 -3.846 114 2HD1 LEU 16 2HD1 LEU 16 -3.107 7.882 -4.952 115 3HD1 LEU 16 3HD1 LEU 16 -4.471 6.959 -5.576 116 1HD2 LEU 16 1HD2 LEU 16 -6.441 7.901 -6.120 117 2HD2 LEU 16 2HD2 LEU 16 -6.930 9.526 -5.634 118 3HD2 LEU 16 3HD2 LEU 16 -6.893 8.223 -4.445 119 H PHE 17 H PHE 17 -1.696 8.964 -4.791 120 HA PHE 17 HA PHE 17 -1.264 11.435 -6.407 121 1HB PHE 17 2HB PHE 17 0.575 9.235 -5.484 122 2HB PHE 17 1HB PHE 17 0.939 10.101 -6.977 123 HD1 PHE 17 1HD PHE 17 2.250 12.025 -6.821 124 HD2 PHE 17 2HD PHE 17 -0.133 10.832 -3.451 125 HE1 PHE 17 1HE PHE 17 3.177 13.906 -5.498 126 HE2 PHE 17 2HE PHE 17 0.796 12.713 -2.128 127 HZ PHE 17 HZ PHE 17 2.451 14.249 -3.152 128 H LEU 18 H LEU 18 -2.440 11.175 -8.237 129 HA LEU 18 HA LEU 18 -3.155 8.594 -9.317 130 1HB LEU 18 2HB LEU 18 -3.528 11.451 -10.077 131 2HB LEU 18 1HB LEU 18 -3.534 10.307 -11.414 132 HG LEU 18 HG LEU 18 -5.800 10.829 -10.324 133 1HD1 LEU 18 1HD1 LEU 18 -6.595 8.611 -10.704 134 2HD1 LEU 18 2HD1 LEU 18 -5.036 7.902 -10.290 135 3HD1 LEU 18 3HD1 LEU 18 -5.216 8.819 -11.784 136 1HD2 LEU 18 1HD2 LEU 18 -4.573 10.434 -7.970 137 2HD2 LEU 18 2HD2 LEU 18 -5.120 8.782 -8.252 138 3HD2 LEU 18 3HD2 LEU 18 -6.288 10.101 -8.193 139 H SER 19 H SER 19 -0.272 9.764 -8.933 140 HA SER 19 HA SER 19 0.702 9.304 -11.705 141 1HB SER 19 2HB SER 19 2.948 9.851 -10.246 142 2HB SER 19 1HB SER 19 1.984 11.054 -11.097 143 HG SER 19 HG SER 19 2.012 11.789 -9.057 144 HA PRO 20 HA PRO 20 1.624 5.087 -10.433 145 1HB PRO 20 2HB PRO 20 3.240 4.759 -12.782 146 2HB PRO 20 1HB PRO 20 1.605 4.167 -12.497 147 1HG PRO 20 2HG PRO 20 2.436 6.292 -14.237 148 2HG PRO 20 1HG PRO 20 0.799 5.694 -13.957 149 1HD PRO 20 2HD PRO 20 1.953 8.181 -13.088 150 2HD PRO 20 1HD PRO 20 0.297 7.579 -12.814 151 H LYS 21 H LYS 21 3.470 4.034 -9.496 152 HA LYS 21 HA LYS 21 6.164 5.067 -9.966 153 1HB LYS 21 2HB LYS 21 4.672 5.719 -7.423 154 2HB LYS 21 1HB LYS 21 6.430 5.594 -7.435 155 1HG LYS 21 2HG LYS 21 6.250 7.230 -9.494 156 2HG LYS 21 1HG LYS 21 4.662 7.594 -8.819 157 1HD LYS 21 2HD LYS 21 5.834 7.986 -6.593 158 2HD LYS 21 1HD LYS 21 7.356 7.919 -7.484 159 1HE LYS 21 2HE LYS 21 6.332 9.704 -9.029 160 2HE LYS 21 1HE LYS 21 5.107 9.915 -7.778 161 1HZ LYS 21 1HZ LYS 21 7.984 10.489 -7.679 162 2HZ LYS 21 2HZ LYS 21 7.180 10.072 -6.242 163 3HZ LYS 21 3HZ LYS 21 6.680 11.428 -7.134 164 H SER 22 H SER 22 7.527 3.337 -9.712 165 HA SER 22 HA SER 22 6.747 0.746 -9.047 166 1HB SER 22 2HB SER 22 8.917 1.055 -9.993 167 2HB SER 22 1HB SER 22 9.413 2.119 -8.681 168 HG SER 22 HG SER 22 9.332 0.361 -7.284 169 H TRP 23 H TRP 23 6.884 -0.518 -7.076 170 HA TRP 23 HA TRP 23 5.952 0.820 -4.734 171 1HB TRP 23 2HB TRP 23 5.590 -1.585 -5.031 172 2HB TRP 23 1HB TRP 23 7.330 -1.873 -5.009 173 HD1 TRP 23 HD TRP 23 4.366 -1.412 -2.772 174 HE1 TRP 23 1HE TRP 23 5.104 -1.534 -0.304 175 HE3 TRP 23 3HE TRP 23 9.438 -1.251 -3.357 176 HZ2 TRP 23 2HZ TRP 23 7.525 -1.558 1.220 177 HZ3 TRP 23 3HZ TRP 23 10.934 -1.324 -1.384 178 HH2 TRP 23 HH TRP 23 9.986 -1.478 0.902 179 H THR 24 H THR 24 9.079 0.338 -6.064 180 HA THR 24 HA THR 24 10.467 0.990 -3.532 181 HB THR 24 HB THR 24 11.300 -0.710 -5.272 182 HG1 THR 24 1HG THR 24 12.960 -0.334 -4.066 183 1HG2 THR 24 1HG2 THR 24 12.582 1.565 -6.698 184 2HG2 THR 24 2HG2 THR 24 10.892 1.250 -7.079 185 3HG2 THR 24 3HG2 THR 24 12.096 -0.015 -7.311 186 H ASP 25 H ASP 25 9.231 2.504 -6.320 187 HA ASP 25 HA ASP 25 10.960 4.883 -6.133 188 1HB ASP 25 2HB ASP 25 10.280 4.213 -8.357 189 2HB ASP 25 1HB ASP 25 8.580 4.209 -7.885 190 H ALA 26 H ALA 26 7.568 3.974 -5.502 191 HA ALA 26 HA ALA 26 6.863 6.630 -4.569 192 1HB ALA 26 1HB ALA 26 5.295 4.772 -5.443 193 2HB ALA 26 2HB ALA 26 4.770 5.659 -4.016 194 3HB ALA 26 3HB ALA 26 5.475 4.050 -3.850 195 H ASP 27 H ASP 27 8.148 3.661 -3.265 196 HA ASP 27 HA ASP 27 7.808 4.236 -0.486 197 1HB ASP 27 2HB ASP 27 8.394 2.007 -1.240 198 2HB ASP 27 1HB ASP 27 9.873 2.609 -1.989 199 H LEU 28 H LEU 28 10.483 4.854 -2.747 200 HA LEU 28 HA LEU 28 12.103 6.219 -0.767 201 1HB LEU 28 2HB LEU 28 12.841 5.090 -2.996 202 2HB LEU 28 1HB LEU 28 12.371 6.617 -3.744 203 HG LEU 28 HG LEU 28 13.845 7.652 -1.788 204 1HD1 LEU 28 1HD1 LEU 28 15.632 6.275 -1.042 205 2HD1 LEU 28 2HD1 LEU 28 15.277 5.028 -2.237 206 3HD1 LEU 28 3HD1 LEU 28 14.194 5.270 -0.867 207 1HD2 LEU 28 1HD2 LEU 28 14.403 8.058 -4.078 208 2HD2 LEU 28 2HD2 LEU 28 14.833 6.370 -4.346 209 3HD2 LEU 28 3HD2 LEU 28 15.863 7.393 -3.345 210 H ALA 29 H ALA 29 9.703 7.240 -3.144 211 HA ALA 29 HA ALA 29 10.306 10.069 -2.866 212 1HB ALA 29 1HB ALA 29 9.138 8.986 -4.841 213 2HB ALA 29 2HB ALA 29 8.373 10.447 -4.213 214 3HB ALA 29 3HB ALA 29 7.708 8.862 -3.817 215 H CYS 30 H CYS 30 7.498 8.100 -1.762 216 HA CYS 30 HA CYS 30 6.410 10.168 -0.132 217 1HB CYS 30 2HB CYS 30 5.133 8.147 -0.736 218 2HB CYS 30 1HB CYS 30 6.233 7.159 0.224 219 H GLN 31 H GLN 31 9.236 8.295 0.174 220 HA GLN 31 HA GLN 31 9.387 8.401 3.088 221 1HB GLN 31 2HB GLN 31 10.592 6.609 2.045 222 2HB GLN 31 1HB GLN 31 11.396 7.714 0.930 223 1HG GLN 31 2HG GLN 31 12.740 8.646 2.657 224 2HG GLN 31 1HG GLN 31 11.736 7.940 3.924 225 1HE2 GLN 31 1HE2 GLN 31 12.489 5.992 4.777 226 2HE2 GLN 31 2HE2 GLN 31 13.608 4.968 4.017 227 H LYS 32 H LYS 32 10.407 10.369 0.367 228 HA LYS 32 HA LYS 32 12.261 12.011 1.788 229 1HB LYS 32 2HB LYS 32 12.348 13.306 -0.133 230 2HB LYS 32 1HB LYS 32 11.682 11.818 -0.801 231 1HG LYS 32 2HG LYS 32 9.365 12.851 -0.268 232 2HG LYS 32 1HG LYS 32 10.236 14.377 -0.113 233 1HD LYS 32 2HD LYS 32 11.183 14.014 -2.402 234 2HD LYS 32 1HD LYS 32 10.169 12.578 -2.553 235 1HE LYS 32 2HE LYS 32 8.162 14.015 -2.133 236 2HE LYS 32 1HE LYS 32 9.217 15.428 -2.149 237 1HZ LYS 32 1HZ LYS 32 8.588 15.360 -4.323 238 2HZ LYS 32 2HZ LYS 32 8.423 13.670 -4.353 239 3HZ LYS 32 3HZ LYS 32 9.966 14.376 -4.411 240 H ARG 33 H ARG 33 9.082 11.543 2.403 241 HA ARG 33 HA ARG 33 8.440 14.348 3.087 242 1HB ARG 33 2HB ARG 33 6.923 11.807 2.781 243 2HB ARG 33 1HB ARG 33 6.288 12.970 3.937 244 1HG ARG 33 2HG ARG 33 6.019 14.645 2.277 245 2HG ARG 33 1HG ARG 33 7.063 13.794 1.138 246 1HD ARG 33 2HD ARG 33 5.430 12.095 0.758 247 2HD ARG 33 1HD ARG 33 4.461 12.621 2.135 248 HE ARG 33 HE ARG 33 3.887 14.662 0.831 249 1HH1 ARG 33 1HH2 ARG 33 2.948 12.190 -0.692 250 2HH1 ARG 33 2HH2 ARG 33 3.463 12.576 -2.301 251 1HH2 ARG 33 1HH1 ARG 33 5.616 15.100 -1.292 252 2HH2 ARG 33 2HH1 ARG 33 4.974 14.222 -2.641 253 HA PRO 34 HA PRO 34 9.431 14.293 7.362 254 1HB PRO 34 2HB PRO 34 6.728 14.626 8.336 255 2HB PRO 34 1HB PRO 34 8.008 15.837 8.217 256 1HG PRO 34 2HG PRO 34 5.687 15.443 6.488 257 2HG PRO 34 1HG PRO 34 6.795 16.817 6.567 258 1HD PRO 34 2HD PRO 34 6.666 14.999 4.460 259 2HD PRO 34 1HD PRO 34 8.069 16.033 4.815 260 H SER 35 H SER 35 9.900 11.973 7.163 261 HA SER 35 HA SER 35 9.718 9.779 7.928 262 1HB SER 35 2HB SER 35 7.358 10.573 9.617 263 2HB SER 35 1HB SER 35 8.626 9.403 9.971 264 HG SER 35 HG SER 35 9.652 11.866 9.543 265 H GLY 36 H GLY 36 7.823 11.148 5.843 266 1HA GLY 36 2HA GLY 36 5.425 9.547 5.866 267 2HA GLY 36 1HA GLY 36 6.041 10.446 4.480 268 H ASN 37 H ASN 37 5.022 8.169 3.741 269 HA ASN 37 HA ASN 37 6.919 6.711 2.344 270 1HB ASN 37 2HB ASN 37 6.832 5.932 5.201 271 2HB ASN 37 1HB ASN 37 6.661 4.583 4.081 272 1HD2 ASN 37 1HD2 ASN 37 8.374 4.605 2.220 273 2HD2 ASN 37 2HD2 ASN 37 9.950 5.059 2.654 274 H LEU 38 H LEU 38 5.881 5.007 1.145 275 HA LEU 38 HA LEU 38 3.349 5.050 0.365 276 1HB LEU 38 2HB LEU 38 4.833 2.559 1.199 277 2HB LEU 38 1HB LEU 38 3.282 2.497 0.366 278 HG LEU 38 HG LEU 38 5.610 4.091 -0.700 279 1HD1 LEU 38 1HD1 LEU 38 6.194 2.214 -2.117 280 2HD1 LEU 38 2HD1 LEU 38 4.856 1.261 -1.476 281 3HD1 LEU 38 3HD1 LEU 38 6.224 1.667 -0.440 282 1HD2 LEU 38 1HD2 LEU 38 3.927 3.038 -2.721 283 2HD2 LEU 38 2HD2 LEU 38 4.062 4.716 -2.196 284 3HD2 LEU 38 3HD2 LEU 38 2.862 3.662 -1.464 285 H VAL 39 H VAL 39 1.310 4.905 1.139 286 HA VAL 39 HA VAL 39 0.487 5.307 3.683 287 HB VAL 39 HB VAL 39 -1.174 5.259 2.018 288 1HG1 VAL 39 1HG1 VAL 39 -0.343 2.382 1.548 289 2HG1 VAL 39 2HG1 VAL 39 -0.104 3.742 0.451 290 3HG1 VAL 39 3HG1 VAL 39 -1.733 3.150 0.780 291 1HG2 VAL 39 1HG2 VAL 39 -1.783 2.697 3.496 292 2HG2 VAL 39 2HG2 VAL 39 -2.901 3.961 2.988 293 3HG2 VAL 39 3HG2 VAL 39 -1.786 4.253 4.321 294 H SER 40 H SER 40 -0.271 4.045 5.445 295 HA SER 40 HA SER 40 1.094 1.392 5.731 296 1HB SER 40 2HB SER 40 1.971 2.509 7.528 297 2HB SER 40 1HB SER 40 0.693 3.720 7.514 298 HG SER 40 HG SER 40 0.598 2.344 9.354 299 H VAL 41 H VAL 41 -0.186 -0.014 7.480 300 HA VAL 41 HA VAL 41 -3.068 0.403 7.548 301 HB VAL 41 HB VAL 41 -2.796 -2.196 6.317 302 1HG1 VAL 41 1HG1 VAL 41 -4.845 -0.849 6.392 303 2HG1 VAL 41 2HG1 VAL 41 -4.413 -1.244 4.729 304 3HG1 VAL 41 3HG1 VAL 41 -4.090 0.370 5.365 305 1HG2 VAL 41 1HG2 VAL 41 -1.916 0.020 4.463 306 2HG2 VAL 41 2HG2 VAL 41 -1.885 -1.720 4.189 307 3HG2 VAL 41 3HG2 VAL 41 -0.738 -0.987 5.305 308 H LEU 42 H LEU 42 -2.586 0.156 9.832 309 HA LEU 42 HA LEU 42 -1.935 -2.658 10.641 310 1HB LEU 42 2HB LEU 42 -1.443 -0.036 12.061 311 2HB LEU 42 1HB LEU 42 -1.292 -1.606 12.852 312 HG LEU 42 HG LEU 42 0.158 -0.952 10.288 313 1HD1 LEU 42 1HD1 LEU 42 0.879 0.681 11.961 314 2HD1 LEU 42 2HD1 LEU 42 2.149 -0.521 11.739 315 3HD1 LEU 42 3HD1 LEU 42 1.096 -0.601 13.152 316 1HD2 LEU 42 1HD2 LEU 42 0.395 -3.068 12.429 317 2HD2 LEU 42 2HD2 LEU 42 1.672 -2.771 11.256 318 3HD2 LEU 42 3HD2 LEU 42 0.083 -3.300 10.714 319 H SER 43 H SER 43 -4.595 -0.981 10.113 320 HA SER 43 HA SER 43 -5.981 -2.201 12.450 321 1HB SER 43 2HB SER 43 -5.692 0.104 13.128 322 2HB SER 43 1HB SER 43 -6.242 0.684 11.560 323 HG SER 43 HG SER 43 -8.279 -0.077 12.014 324 H GLY 44 H GLY 44 -8.130 -2.818 12.003 325 1HA GLY 44 2HA GLY 44 -8.731 -3.436 9.267 326 2HA GLY 44 1HA GLY 44 -9.861 -3.584 10.613 327 H ALA 45 H ALA 45 -9.204 -0.617 11.177 328 HA ALA 45 HA ALA 45 -11.388 0.437 9.512 329 1HB ALA 45 1HB ALA 45 -11.175 0.978 11.955 330 2HB ALA 45 2HB ALA 45 -11.235 2.410 10.924 331 3HB ALA 45 3HB ALA 45 -9.695 1.861 11.585 332 H GLU 46 H GLU 46 -7.891 0.796 9.853 333 HA GLU 46 HA GLU 46 -7.673 3.047 8.050 334 1HB GLU 46 2HB GLU 46 -5.917 2.371 9.724 335 2HB GLU 46 1HB GLU 46 -5.559 0.974 8.708 336 1HG GLU 46 2HG GLU 46 -5.014 2.463 6.827 337 2HG GLU 46 1HG GLU 46 -5.398 3.869 7.819 338 H GLY 47 H GLY 47 -7.380 -0.479 7.664 339 1HA GLY 47 2HA GLY 47 -6.593 -0.466 4.923 340 2HA GLY 47 1HA GLY 47 -7.449 -1.793 5.713 341 H SER 48 H SER 48 -9.745 -0.139 6.467 342 HA SER 48 HA SER 48 -11.174 -0.258 3.902 343 1HB SER 48 2HB SER 48 -12.168 -1.025 6.104 344 2HB SER 48 1HB SER 48 -12.219 0.666 6.593 345 HG SER 48 HG SER 48 -14.103 0.544 5.621 346 H PHE 49 H PHE 49 -9.852 2.147 6.076 347 HA PHE 49 HA PHE 49 -11.233 4.416 4.941 348 1HB PHE 49 2HB PHE 49 -9.964 4.252 7.198 349 2HB PHE 49 1HB PHE 49 -8.510 4.537 6.242 350 HD1 PHE 49 1HD PHE 49 -7.987 6.706 5.391 351 HD2 PHE 49 2HD PHE 49 -11.833 5.943 7.145 352 HE1 PHE 49 1HE PHE 49 -8.479 9.136 5.369 353 HE2 PHE 49 2HE PHE 49 -12.326 8.373 7.121 354 HZ PHE 49 HZ PHE 49 -10.649 9.969 6.234 355 H VAL 50 H VAL 50 -7.988 3.008 4.418 356 HA VAL 50 HA VAL 50 -7.185 4.878 2.412 357 HB VAL 50 HB VAL 50 -6.361 1.973 2.716 358 1HG1 VAL 50 1HG1 VAL 50 -5.057 4.333 1.325 359 2HG1 VAL 50 2HG1 VAL 50 -5.733 2.905 0.543 360 3HG1 VAL 50 3HG1 VAL 50 -4.299 2.758 1.558 361 1HG2 VAL 50 1HG2 VAL 50 -4.998 4.468 3.769 362 2HG2 VAL 50 2HG2 VAL 50 -4.579 2.790 4.117 363 3HG2 VAL 50 3HG2 VAL 50 -6.075 3.475 4.748 364 H SER 51 H SER 51 -8.995 1.839 2.264 365 HA SER 51 HA SER 51 -9.030 1.538 -0.567 366 1HB SER 51 2HB SER 51 -9.868 -0.328 0.557 367 2HB SER 51 1HB SER 51 -10.817 0.648 1.676 368 HG SER 51 HG SER 51 -12.339 0.018 0.315 369 H SER 52 H SER 52 -11.232 3.304 1.617 370 HA SER 52 HA SER 52 -12.976 4.201 -0.505 371 1HB SER 52 2HB SER 52 -13.675 4.141 1.874 372 2HB SER 52 1HB SER 52 -12.503 5.404 2.241 373 HG SER 52 HG SER 52 -13.887 6.258 0.189 374 H LEU 53 H LEU 53 -9.915 5.283 0.723 375 HA LEU 53 HA LEU 53 -10.110 7.995 -0.317 376 1HB LEU 53 2HB LEU 53 -8.564 7.779 1.441 377 2HB LEU 53 1HB LEU 53 -7.922 6.267 0.815 378 HG LEU 53 HG LEU 53 -6.942 7.543 -1.117 379 1HD1 LEU 53 1HD1 LEU 53 -8.474 9.487 -1.021 380 2HD1 LEU 53 2HD1 LEU 53 -6.795 10.004 -0.886 381 3HD1 LEU 53 3HD1 LEU 53 -7.811 9.930 0.553 382 1HD2 LEU 53 1HD2 LEU 53 -5.689 6.983 1.007 383 2HD2 LEU 53 2HD2 LEU 53 -6.072 8.603 1.586 384 3HD2 LEU 53 3HD2 LEU 53 -5.072 8.395 0.149 385 H VAL 54 H VAL 54 -9.218 4.873 -1.570 386 HA VAL 54 HA VAL 54 -8.367 6.181 -4.126 387 HB VAL 54 HB VAL 54 -6.896 4.286 -4.510 388 1HG1 VAL 54 1HG1 VAL 54 -6.231 6.234 -2.975 389 2HG1 VAL 54 2HG1 VAL 54 -5.272 4.762 -2.828 390 3HG1 VAL 54 3HG1 VAL 54 -6.511 5.128 -1.630 391 1HG2 VAL 54 1HG2 VAL 54 -6.639 2.649 -2.517 392 2HG2 VAL 54 2HG2 VAL 54 -8.039 2.431 -3.565 393 3HG2 VAL 54 3HG2 VAL 54 -8.223 3.231 -2.005 394 H LYS 55 H LYS 55 -11.044 5.020 -2.988 395 HA LYS 55 HA LYS 55 -11.584 2.861 -4.917 396 1HB LYS 55 2HB LYS 55 -12.662 2.682 -2.756 397 2HB LYS 55 1HB LYS 55 -13.346 4.300 -2.914 398 1HG LYS 55 2HG LYS 55 -14.858 3.632 -4.597 399 2HG LYS 55 1HG LYS 55 -13.947 2.166 -4.958 400 1HD LYS 55 2HD LYS 55 -15.948 1.565 -3.705 401 2HD LYS 55 1HD LYS 55 -14.532 1.293 -2.690 402 1HE LYS 55 2HE LYS 55 -16.449 2.479 -1.534 403 2HE LYS 55 1HE LYS 55 -14.910 3.338 -1.479 404 1HZ LYS 55 1HZ LYS 55 -15.628 4.919 -2.920 405 2HZ LYS 55 2HZ LYS 55 -17.122 4.520 -2.215 406 3HZ LYS 55 3HZ LYS 55 -16.696 3.878 -3.729 407 H SER 56 H SER 56 -11.511 6.214 -5.003 408 HA SER 56 HA SER 56 -13.477 6.296 -7.267 409 1HB SER 56 2HB SER 56 -13.518 8.796 -6.753 410 2HB SER 56 1HB SER 56 -14.268 7.758 -5.542 411 HG SER 56 HG SER 56 -12.941 8.883 -4.307 412 H ILE 57 H ILE 57 -10.484 5.667 -7.083 413 HA ILE 57 HA ILE 57 -8.937 7.763 -8.157 414 HB ILE 57 HB ILE 57 -7.994 5.666 -7.327 415 1HG1 ILE 57 2HG1 ILE 57 -7.438 5.990 -10.288 416 2HG1 ILE 57 1HG1 ILE 57 -6.748 7.005 -9.023 417 1HG2 ILE 57 1HG2 ILE 57 -9.978 4.344 -8.444 418 2HG2 ILE 57 2HG2 ILE 57 -8.403 3.573 -8.273 419 3HG2 ILE 57 3HG2 ILE 57 -8.886 4.251 -9.826 420 1HD1 ILE 57 1HD1 ILE 57 -5.282 5.070 -9.766 421 2HD1 ILE 57 2HD1 ILE 57 -6.472 3.995 -9.036 422 3HD1 ILE 57 3HD1 ILE 57 -5.600 5.153 -8.035 423 H GLY 58 H GLY 58 -10.512 5.097 -9.985 424 1HA GLY 58 2HA GLY 58 -11.888 6.261 -11.948 425 2HA GLY 58 1HA GLY 58 -10.265 6.728 -12.453 426 H ASN 59 H ASN 59 -12.362 4.792 -13.583 427 HA ASN 59 HA ASN 59 -11.617 2.124 -13.379 428 1HB ASN 59 2HB ASN 59 -12.315 1.959 -15.826 429 2HB ASN 59 1HB ASN 59 -13.502 2.684 -14.741 430 1HD2 ASN 59 1HD2 ASN 59 -14.011 3.491 -17.208 431 2HD2 ASN 59 2HD2 ASN 59 -13.377 5.026 -17.561 432 H SER 60 H SER 60 -9.905 4.735 -14.976 433 HA SER 60 HA SER 60 -8.144 3.127 -16.571 434 1HB SER 60 2HB SER 60 -8.503 5.659 -16.711 435 2HB SER 60 1HB SER 60 -7.430 5.787 -15.319 436 HG SER 60 HG SER 60 -5.807 5.443 -16.599 437 H TYR 61 H TYR 61 -8.545 2.807 -13.411 438 HA TYR 61 HA TYR 61 -5.857 1.729 -12.994 439 1HB TYR 61 2HB TYR 61 -6.898 4.018 -11.302 440 2HB TYR 61 1HB TYR 61 -5.474 3.050 -10.919 441 HD1 TYR 61 1HD TYR 61 -6.547 6.022 -12.447 442 HD2 TYR 61 2HD TYR 61 -3.768 2.791 -12.984 443 HE1 TYR 61 1HE TYR 61 -5.167 7.454 -13.928 444 HE2 TYR 61 2HE TYR 61 -2.389 4.223 -14.466 445 HH TYR 61 HH TYR 61 -3.206 7.637 -14.999 446 H SER 62 H SER 62 -6.189 -0.151 -11.931 447 HA SER 62 HA SER 62 -8.666 -0.419 -10.268 448 1HB SER 62 2HB SER 62 -8.119 -2.956 -10.735 449 2HB SER 62 1HB SER 62 -8.924 -1.990 -11.968 450 HG SER 62 HG SER 62 -6.113 -2.120 -11.831 451 H TYR 63 H TYR 63 -5.177 -0.960 -10.372 452 HA TYR 63 HA TYR 63 -5.346 -1.923 -7.543 453 1HB TYR 63 2HB TYR 63 -3.298 -2.354 -9.709 454 2HB TYR 63 1HB TYR 63 -2.938 -2.675 -8.013 455 HD1 TYR 63 1HD TYR 63 -5.681 -3.342 -10.495 456 HD2 TYR 63 2HD TYR 63 -3.309 -4.843 -7.242 457 HE1 TYR 63 1HE TYR 63 -6.827 -5.533 -10.669 458 HE2 TYR 63 2HE TYR 63 -4.455 -7.035 -7.420 459 HH TYR 63 HH TYR 63 -6.969 -7.717 -8.422 460 H VAL 64 H VAL 64 -3.582 -1.182 -6.095 461 HA VAL 64 HA VAL 64 -2.354 1.427 -6.847 462 HB VAL 64 HB VAL 64 -4.173 0.958 -4.458 463 1HG1 VAL 64 1HG1 VAL 64 -2.938 3.605 -5.159 464 2HG1 VAL 64 2HG1 VAL 64 -2.054 2.457 -4.153 465 3HG1 VAL 64 3HG1 VAL 64 -3.619 3.070 -3.627 466 1HG2 VAL 64 1HG2 VAL 64 -5.392 2.918 -5.569 467 2HG2 VAL 64 2HG2 VAL 64 -5.500 1.361 -6.388 468 3HG2 VAL 64 3HG2 VAL 64 -4.392 2.596 -6.984 469 H TRP 65 H TRP 65 -0.333 1.695 -5.861 470 HA TRP 65 HA TRP 65 0.806 -0.626 -4.531 471 1HB TRP 65 2HB TRP 65 1.771 1.967 -5.558 472 2HB TRP 65 1HB TRP 65 2.661 1.371 -4.168 473 HD1 TRP 65 HD TRP 65 3.451 1.579 -7.394 474 HE1 TRP 65 1HE TRP 65 4.598 -0.478 -8.425 475 HE3 TRP 65 3HE TRP 65 2.090 -2.008 -4.004 476 HZ2 TRP 65 2HZ TRP 65 4.867 -3.258 -7.918 477 HZ3 TRP 65 3HZ TRP 65 2.807 -4.353 -4.324 478 HH2 TRP 65 HH TRP 65 4.197 -4.982 -6.271 479 H ILE 66 H ILE 66 1.598 -0.721 -2.337 480 HA ILE 66 HA ILE 66 0.846 1.557 -0.574 481 HB ILE 66 HB ILE 66 -0.015 -0.071 1.139 482 1HG1 ILE 66 2HG1 ILE 66 0.092 -1.980 -1.209 483 2HG1 ILE 66 1HG1 ILE 66 1.005 -2.121 0.294 484 1HG2 ILE 66 1HG2 ILE 66 -2.210 -0.161 0.217 485 2HG2 ILE 66 2HG2 ILE 66 -1.592 -0.254 -1.432 486 3HG2 ILE 66 3HG2 ILE 66 -1.455 1.250 -0.523 487 1HD1 ILE 66 1HD1 ILE 66 -1.990 -2.353 -0.090 488 2HD1 ILE 66 2HD1 ILE 66 -1.256 -2.126 1.496 489 3HD1 ILE 66 3HD1 ILE 66 -0.884 -3.567 0.553 490 H GLY 67 H GLY 67 1.849 0.990 1.733 491 1HA GLY 67 2HA GLY 67 4.660 0.379 1.211 492 2HA GLY 67 1HA GLY 67 4.000 1.021 2.714 493 H LEU 68 H LEU 68 3.574 -1.959 0.780 494 HA LEU 68 HA LEU 68 4.144 -3.494 3.281 495 1HB LEU 68 2HB LEU 68 1.646 -3.401 2.444 496 2HB LEU 68 1HB LEU 68 2.213 -4.547 1.238 497 HG LEU 68 HG LEU 68 1.505 -5.985 2.931 498 1HD1 LEU 68 1HD1 LEU 68 4.336 -5.432 3.857 499 2HD1 LEU 68 2HD1 LEU 68 3.931 -6.399 2.439 500 3HD1 LEU 68 3HD1 LEU 68 3.432 -6.927 4.040 501 1HD2 LEU 68 1HD2 LEU 68 0.830 -4.504 4.614 502 2HD2 LEU 68 2HD2 LEU 68 2.448 -3.830 4.806 503 3HD2 LEU 68 3HD2 LEU 68 2.095 -5.457 5.387 504 H HIS 69 H HIS 69 5.777 -4.963 2.973 505 HA HIS 69 HA HIS 69 6.237 -5.968 0.211 506 1HB HIS 69 2HB HIS 69 8.599 -5.556 0.317 507 2HB HIS 69 1HB HIS 69 7.793 -4.039 0.715 508 HD1 HIS 69 1HD HIS 69 10.297 -6.343 1.983 509 HD2 HIS 69 2HD HIS 69 7.569 -3.699 3.673 510 HE1 HIS 69 1HE HIS 69 11.064 -5.952 4.366 511 H ASP 70 H ASP 70 8.159 -7.625 0.440 512 HA ASP 70 HA ASP 70 7.302 -9.554 2.540 513 1HB ASP 70 2HB ASP 70 8.754 -9.969 -0.086 514 2HB ASP 70 1HB ASP 70 8.381 -11.254 1.063 515 HA PRO 71 HA PRO 71 11.362 -8.245 4.183 516 1HB PRO 71 2HB PRO 71 10.847 -9.893 6.485 517 2HB PRO 71 1HB PRO 71 10.802 -8.133 6.372 518 1HG PRO 71 2HG PRO 71 8.597 -9.910 6.676 519 2HG PRO 71 1HG PRO 71 8.556 -8.159 6.494 520 1HD PRO 71 2HD PRO 71 7.796 -10.179 4.562 521 2HD PRO 71 1HD PRO 71 7.653 -8.409 4.426 522 H THR 72 H THR 72 10.099 -11.368 3.488 523 HA THR 72 HA THR 72 12.400 -12.944 4.229 524 HB THR 72 HB THR 72 11.297 -14.731 3.212 525 HG1 THR 72 1HG THR 72 10.984 -14.393 1.168 526 1HG2 THR 72 1HG2 THR 72 8.997 -12.788 3.487 527 2HG2 THR 72 2HG2 THR 72 9.834 -13.475 4.878 528 3HG2 THR 72 3HG2 THR 72 8.977 -14.530 3.754 529 H GLN 73 H GLN 73 11.511 -11.085 1.362 530 HA GLN 73 HA GLN 73 12.700 -10.698 -0.634 531 1HB GLN 73 2HB GLN 73 14.861 -10.872 1.475 532 2HB GLN 73 1HB GLN 73 15.222 -10.462 -0.203 533 1HG GLN 73 2HG GLN 73 13.601 -8.585 -0.073 534 2HG GLN 73 1HG GLN 73 13.314 -8.973 1.625 535 1HE2 GLN 73 1HE2 GLN 73 15.667 -9.275 2.822 536 2HE2 GLN 73 2HE2 GLN 73 16.727 -7.978 2.550 537 H GLY 74 H GLY 74 12.023 -13.488 -0.046 538 1HA GLY 74 2HA GLY 74 12.426 -15.495 -1.242 539 2HA GLY 74 1HA GLY 74 13.857 -14.745 -1.951 540 H THR 75 H THR 75 12.746 -15.724 1.316 541 HA THR 75 HA THR 75 15.195 -17.340 1.635 542 HB THR 75 HB THR 75 15.770 -16.200 3.786 543 HG1 THR 75 1HG THR 75 13.458 -14.953 3.210 544 1HG2 THR 75 1HG2 THR 75 16.800 -15.631 1.515 545 2HG2 THR 75 2HG2 THR 75 16.961 -14.406 2.772 546 3HG2 THR 75 3HG2 THR 75 15.747 -14.218 1.507 547 H GLU 76 H GLU 76 12.585 -15.920 3.647 548 HA GLU 76 HA GLU 76 12.236 -17.919 5.511 549 1HB GLU 76 2HB GLU 76 10.874 -15.791 5.259 550 2HB GLU 76 1HB GLU 76 9.898 -16.654 4.070 551 1HG GLU 76 2HG GLU 76 8.779 -16.884 6.186 552 2HG GLU 76 1HG GLU 76 9.527 -18.443 5.832 553 HA PRO 77 HA PRO 77 11.496 -21.323 2.557 554 1HB PRO 77 2HB PRO 77 11.347 -23.123 4.801 555 2HB PRO 77 1HB PRO 77 12.649 -22.950 3.622 556 1HG PRO 77 2HG PRO 77 12.675 -22.173 6.368 557 2HG PRO 77 1HG PRO 77 13.949 -21.935 5.168 558 1HD PRO 77 2HD PRO 77 12.188 -19.946 6.336 559 2HD PRO 77 1HD PRO 77 13.540 -19.696 5.201 560 H ASN 78 H ASN 78 9.334 -19.622 3.720 561 HA ASN 78 HA ASN 78 7.138 -21.523 3.351 562 1HB ASN 78 2HB ASN 78 7.586 -20.133 6.007 563 2HB ASN 78 1HB ASN 78 6.050 -20.861 5.534 564 1HD2 ASN 78 1HD2 ASN 78 9.476 -21.628 6.209 565 2HD2 ASN 78 2HD2 ASN 78 9.215 -23.280 6.500 566 H GLY 79 H GLY 79 8.032 -18.235 4.424 567 1HA GLY 79 2HA GLY 79 7.375 -16.218 3.301 568 2HA GLY 79 1HA GLY 79 6.154 -17.135 2.415 569 H GLU 80 H GLU 80 6.919 -15.765 5.600 570 HA GLU 80 HA GLU 80 4.045 -15.252 6.011 571 1HB GLU 80 2HB GLU 80 5.695 -17.069 7.777 572 2HB GLU 80 1HB GLU 80 4.242 -16.260 8.365 573 1HG GLU 80 2HG GLU 80 2.994 -17.275 6.415 574 2HG GLU 80 1HG GLU 80 4.439 -18.226 6.070 575 H GLY 81 H GLY 81 6.266 -13.509 5.569 576 1HA GLY 81 2HA GLY 81 6.760 -12.323 8.263 577 2HA GLY 81 1HA GLY 81 7.677 -11.956 6.803 578 H TRP 82 H TRP 82 6.346 -10.895 5.018 579 HA TRP 82 HA TRP 82 5.187 -8.964 4.361 580 1HB TRP 82 2HB TRP 82 3.010 -9.563 6.316 581 2HB TRP 82 1HB TRP 82 2.902 -9.159 4.605 582 HD1 TRP 82 HD TRP 82 4.990 -11.492 3.675 583 HE1 TRP 82 1HE TRP 82 4.115 -13.916 3.601 584 HE3 TRP 82 3HE TRP 82 0.962 -11.069 6.782 585 HZ2 TRP 82 2HZ TRP 82 1.984 -15.470 4.716 586 HZ3 TRP 82 3HZ TRP 82 -0.472 -13.033 7.259 587 HH2 TRP 82 HH TRP 82 0.033 -15.231 6.229 588 H GLU 83 H GLU 83 6.233 -7.113 5.106 589 HA GLU 83 HA GLU 83 5.367 -6.135 7.810 590 1HB GLU 83 2HB GLU 83 7.675 -6.876 8.046 591 2HB GLU 83 1HB GLU 83 8.147 -5.965 6.609 592 1HG GLU 83 2HG GLU 83 7.765 -3.879 7.681 593 2HG GLU 83 1HG GLU 83 6.879 -4.636 9.004 594 H TRP 84 H TRP 84 4.894 -3.917 7.881 595 HA TRP 84 HA TRP 84 4.472 -2.652 5.294 596 1HB TRP 84 2HB TRP 84 4.093 -1.019 7.721 597 2HB TRP 84 1HB TRP 84 2.975 -1.333 6.391 598 HD1 TRP 84 HD TRP 84 4.387 -3.091 9.522 599 HE1 TRP 84 1HE TRP 84 2.612 -4.744 10.386 600 HE3 TRP 84 3HE TRP 84 0.844 -2.551 5.896 601 HZ2 TRP 84 2HZ TRP 84 0.028 -5.716 9.632 602 HZ3 TRP 84 3HZ TRP 84 -1.262 -3.852 5.989 603 HH2 TRP 84 HH TRP 84 -1.675 -5.431 7.855 604 H SER 85 H SER 85 5.732 -1.066 4.411 605 HA SER 85 HA SER 85 8.280 -0.504 5.753 606 1HB SER 85 2HB SER 85 7.147 0.228 3.048 607 2HB SER 85 1HB SER 85 8.685 0.868 3.623 608 HG SER 85 HG SER 85 9.561 -0.992 3.213 609 H SER 86 H SER 86 5.274 0.703 6.079 610 HA SER 86 HA SER 86 6.342 3.339 6.942 611 1HB SER 86 2HB SER 86 4.945 4.573 5.611 612 2HB SER 86 1HB SER 86 5.001 3.140 4.587 613 HG SER 86 HG SER 86 3.167 2.437 6.024 614 H SER 87 H SER 87 4.953 0.598 7.996 615 HA SER 87 HA SER 87 3.120 2.135 9.831 616 1HB SER 87 2HB SER 87 2.679 -0.784 9.493 617 2HB SER 87 1HB SER 87 1.523 0.519 9.722 618 HG SER 87 HG SER 87 3.022 0.480 7.369 619 H ASP 88 H ASP 88 5.094 -0.855 9.695 620 HA ASP 88 HA ASP 88 6.842 -0.596 11.726 621 1HB ASP 88 2HB ASP 88 5.197 0.307 13.278 622 2HB ASP 88 1HB ASP 88 4.123 -1.065 13.002 623 H VAL 89 H VAL 89 4.766 -2.878 13.082 624 HA VAL 89 HA VAL 89 6.077 -5.069 11.518 625 HB VAL 89 HB VAL 89 6.641 -4.963 13.948 626 1HG1 VAL 89 1HG1 VAL 89 4.347 -4.015 14.556 627 2HG1 VAL 89 2HG1 VAL 89 4.961 -5.281 15.621 628 3HG1 VAL 89 3HG1 VAL 89 3.734 -5.662 14.413 629 1HG2 VAL 89 1HG2 VAL 89 6.351 -7.297 14.340 630 2HG2 VAL 89 2HG2 VAL 89 6.412 -7.133 12.584 631 3HG2 VAL 89 3HG2 VAL 89 4.861 -7.347 13.397 632 H MET 90 H MET 90 4.704 -7.056 11.297 633 HA MET 90 HA MET 90 2.164 -6.427 10.155 634 1HB MET 90 2HB MET 90 3.682 -8.470 9.721 635 2HB MET 90 1HB MET 90 2.924 -9.170 11.152 636 1HG MET 90 2HG MET 90 0.681 -8.500 9.971 637 2HG MET 90 1HG MET 90 1.671 -8.448 8.514 638 1HE MET 90 1HE MET 90 -0.729 -10.363 10.202 639 2HE MET 90 2HE MET 90 -0.576 -11.863 9.292 640 3HE MET 90 3HE MET 90 -0.669 -10.327 8.434 641 H ASN 91 H ASN 91 0.978 -5.266 11.828 642 HA ASN 91 HA ASN 91 0.130 -6.975 14.135 643 1HB ASN 91 2HB ASN 91 1.011 -4.391 14.192 644 2HB ASN 91 1HB ASN 91 -0.726 -4.131 14.032 645 1HD2 ASN 91 1HD2 ASN 91 1.059 -3.710 16.442 646 2HD2 ASN 91 2HD2 ASN 91 0.360 -4.647 17.673 647 H TYR 92 H TYR 92 -0.778 -6.093 11.075 648 HA TYR 92 HA TYR 92 -3.618 -6.722 11.670 649 1HB TYR 92 2HB TYR 92 -3.473 -4.292 11.319 650 2HB TYR 92 1HB TYR 92 -2.667 -4.563 9.775 651 HD1 TYR 92 1HD TYR 92 -5.702 -5.967 11.512 652 HD2 TYR 92 2HD TYR 92 -4.053 -4.245 7.937 653 HE1 TYR 92 1HE TYR 92 -7.897 -6.200 10.386 654 HE2 TYR 92 2HE TYR 92 -6.251 -4.478 6.814 655 HH TYR 92 HH TYR 92 -8.592 -6.416 7.741 656 H PHE 93 H PHE 93 -4.719 -7.770 9.852 657 HA PHE 93 HA PHE 93 -2.894 -8.714 7.680 658 1HB PHE 93 2HB PHE 93 -3.936 -10.986 7.921 659 2HB PHE 93 1HB PHE 93 -2.956 -10.512 9.309 660 HD1 PHE 93 1HD PHE 93 -3.932 -10.159 11.468 661 HD2 PHE 93 2HD PHE 93 -6.432 -10.812 8.038 662 HE1 PHE 93 1HE PHE 93 -5.900 -10.430 12.954 663 HE2 PHE 93 2HE PHE 93 -8.399 -11.083 9.522 664 HZ PHE 93 HZ PHE 93 -8.134 -10.892 11.980 665 H ALA 94 H ALA 94 -3.926 -9.059 5.684 666 HA ALA 94 HA ALA 94 -6.764 -9.215 5.334 667 1HB ALA 94 1HB ALA 94 -5.993 -6.604 4.207 668 2HB ALA 94 2HB ALA 94 -5.977 -6.640 5.968 669 3HB ALA 94 3HB ALA 94 -7.448 -7.058 5.093 670 H TRP 95 H TRP 95 -4.106 -10.224 4.331 671 HA TRP 95 HA TRP 95 -3.922 -9.367 1.551 672 1HB TRP 95 2HB TRP 95 -2.504 -11.635 1.529 673 2HB TRP 95 1HB TRP 95 -1.866 -10.164 2.263 674 HD1 TRP 95 HD TRP 95 -1.433 -10.166 4.803 675 HE1 TRP 95 1HE TRP 95 -1.723 -11.907 6.681 676 HE3 TRP 95 3HE TRP 95 -4.109 -13.723 2.302 677 HZ2 TRP 95 2HZ TRP 95 -2.929 -14.472 7.071 678 HZ3 TRP 95 3HZ TRP 95 -4.815 -15.804 3.449 679 HH2 TRP 95 HH TRP 95 -4.229 -16.181 5.827 680 H GLU 96 H GLU 96 -4.398 -10.757 -0.291 681 HA GLU 96 HA GLU 96 -6.931 -12.151 -0.017 682 1HB GLU 96 2HB GLU 96 -6.097 -10.856 -2.068 683 2HB GLU 96 1HB GLU 96 -5.085 -12.258 -2.410 684 1HG GLU 96 2HG GLU 96 -7.045 -13.702 -2.524 685 2HG GLU 96 1HG GLU 96 -8.093 -12.367 -2.049 686 H ARG 97 H ARG 97 -3.638 -13.221 -0.930 687 HA ARG 97 HA ARG 97 -4.273 -15.883 0.258 688 1HB ARG 97 2HB ARG 97 -3.591 -15.262 -2.568 689 2HB ARG 97 1HB ARG 97 -2.705 -16.611 -1.859 690 1HG ARG 97 2HG ARG 97 -4.857 -17.634 -1.156 691 2HG ARG 97 1HG ARG 97 -5.724 -16.306 -1.927 692 1HD ARG 97 2HD ARG 97 -3.778 -17.512 -3.742 693 2HD ARG 97 1HD ARG 97 -4.950 -18.694 -3.158 694 HE ARG 97 HE ARG 97 -6.484 -17.660 -4.598 695 1HH1 ARG 97 1HH1 ARG 97 -3.801 -15.807 -4.972 696 2HH1 ARG 97 2HH1 ARG 97 -4.614 -14.290 -5.164 697 1HH2 ARG 97 1HH2 ARG 97 -7.706 -15.523 -4.187 698 2HH2 ARG 97 2HH2 ARG 97 -6.826 -14.129 -4.719 699 H ASN 98 H ASN 98 -2.356 -17.029 0.966 700 HA ASN 98 HA ASN 98 -0.249 -15.221 1.847 701 1HB ASN 98 2HB ASN 98 0.722 -17.401 2.795 702 2HB ASN 98 1HB ASN 98 -0.857 -16.910 3.411 703 1HD2 ASN 98 1HD2 ASN 98 0.508 -19.686 2.861 704 2HD2 ASN 98 2HD2 ASN 98 -0.701 -20.543 2.030 705 HA PRO 99 HA PRO 99 2.476 -15.764 -1.626 706 1HB PRO 99 2HB PRO 99 4.839 -15.864 0.020 707 2HB PRO 99 1HB PRO 99 4.220 -14.504 -0.920 708 1HG PRO 99 2HG PRO 99 4.176 -14.870 1.944 709 2HG PRO 99 1HG PRO 99 3.667 -13.462 1.008 710 1HD PRO 99 2HD PRO 99 1.981 -15.287 2.408 711 2HD PRO 99 1HD PRO 99 1.469 -13.985 1.306 712 H SER 100 H SER 100 2.382 -17.986 1.025 713 HA SER 100 HA SER 100 4.283 -19.899 -0.061 714 1HB SER 100 2HB SER 100 3.774 -21.206 1.793 715 2HB SER 100 1HB SER 100 3.329 -19.610 2.393 716 HG SER 100 HG SER 100 1.241 -20.505 1.101 717 H THR 101 H THR 101 1.205 -18.969 -1.024 718 HA THR 101 HA THR 101 0.340 -21.644 -1.914 719 HB THR 101 HB THR 101 -1.535 -20.274 -2.990 720 HG1 THR 101 1HG THR 101 0.093 -18.315 -1.897 721 1HG2 THR 101 1HG2 THR 101 -2.491 -19.656 -0.690 722 2HG2 THR 101 2HG2 THR 101 -0.967 -20.236 -0.024 723 3HG2 THR 101 3HG2 THR 101 -2.013 -21.337 -0.919 724 H ILE 102 H ILE 102 1.773 -18.721 -3.259 725 HA ILE 102 HA ILE 102 1.822 -20.004 -5.958 726 HB ILE 102 HB ILE 102 2.532 -17.141 -5.302 727 1HG1 ILE 102 2HG1 ILE 102 -0.174 -18.203 -6.176 728 2HG1 ILE 102 1HG1 ILE 102 0.204 -17.699 -4.528 729 1HG2 ILE 102 1HG2 ILE 102 1.996 -16.808 -7.683 730 2HG2 ILE 102 2HG2 ILE 102 1.586 -18.516 -7.834 731 3HG2 ILE 102 3HG2 ILE 102 3.247 -18.036 -7.493 732 1HD1 ILE 102 1HD1 ILE 102 -0.888 -15.876 -5.791 733 2HD1 ILE 102 2HD1 ILE 102 0.406 -15.937 -6.988 734 3HD1 ILE 102 3HD1 ILE 102 0.759 -15.440 -5.333 735 H SER 103 H SER 103 3.867 -19.947 -7.134 736 HA SER 103 HA SER 103 6.111 -20.762 -5.588 737 1HB SER 103 2HB SER 103 7.387 -20.336 -7.765 738 2HB SER 103 1HB SER 103 6.027 -21.452 -7.869 739 HG SER 103 HG SER 103 6.389 -19.335 -9.307 740 H SER 104 H SER 104 6.089 -18.921 -4.001 741 HA SER 104 HA SER 104 6.890 -16.855 -3.205 742 1HB SER 104 2HB SER 104 9.203 -16.326 -4.159 743 2HB SER 104 1HB SER 104 9.010 -17.911 -3.416 744 HG SER 104 HG SER 104 8.382 -17.723 -6.109 745 HA PRO 105 HA PRO 105 5.167 -14.435 -6.764 746 1HB PRO 105 2HB PRO 105 3.980 -12.688 -4.806 747 2HB PRO 105 1HB PRO 105 3.170 -13.829 -5.882 748 1HG PRO 105 2HG PRO 105 3.479 -14.037 -3.061 749 2HG PRO 105 1HG PRO 105 2.775 -15.232 -4.152 750 1HD PRO 105 2HD PRO 105 5.352 -15.313 -2.788 751 2HD PRO 105 1HD PRO 105 4.560 -16.595 -3.739 752 H GLY 106 H GLY 106 4.895 -11.633 -6.230 753 1HA GLY 106 2HA GLY 106 7.667 -10.802 -6.430 754 2HA GLY 106 1HA GLY 106 6.269 -9.724 -6.399 755 H HIS 107 H HIS 107 8.066 -8.605 -4.952 756 HA HIS 107 HA HIS 107 7.697 -9.538 -2.128 757 1HB HIS 107 2HB HIS 107 9.896 -7.732 -3.162 758 2HB HIS 107 1HB HIS 107 9.801 -8.513 -1.583 759 HD1 HIS 107 1HD HIS 107 12.155 -9.001 -3.649 760 HD2 HIS 107 2HD HIS 107 8.874 -11.498 -3.121 761 HE1 HIS 107 1HE HIS 107 12.837 -11.293 -4.469 762 H CYS 108 H CYS 108 5.799 -7.886 -3.619 763 HA CYS 108 HA CYS 108 5.697 -5.626 -1.727 764 1HB CYS 108 2HB CYS 108 5.878 -5.286 -4.723 765 2HB CYS 108 1HB CYS 108 5.201 -4.044 -3.667 766 H ALA 109 H ALA 109 3.555 -4.934 -1.359 767 HA ALA 109 HA ALA 109 1.471 -6.574 -2.746 768 1HB ALA 109 1HB ALA 109 2.006 -6.420 -0.045 769 2HB ALA 109 2HB ALA 109 0.473 -6.937 -0.743 770 3HB ALA 109 3HB ALA 109 0.685 -5.264 -0.230 771 H SER 110 H SER 110 -0.450 -5.579 -3.371 772 HA SER 110 HA SER 110 -0.596 -2.611 -3.254 773 1HB SER 110 2HB SER 110 -1.419 -3.783 -5.839 774 2HB SER 110 1HB SER 110 -0.479 -2.330 -5.517 775 HG SER 110 HG SER 110 0.965 -4.416 -4.767 776 H LEU 111 H LEU 111 -2.867 -1.890 -3.890 777 HA LEU 111 HA LEU 111 -4.816 -3.746 -2.695 778 1HB LEU 111 2HB LEU 111 -5.096 -0.924 -3.775 779 2HB LEU 111 1HB LEU 111 -6.395 -1.822 -3.001 780 HG LEU 111 HG LEU 111 -3.940 -1.819 -1.392 781 1HD1 LEU 111 1HD1 LEU 111 -3.579 0.390 -2.314 782 2HD1 LEU 111 2HD1 LEU 111 -4.227 0.582 -0.685 783 3HD1 LEU 111 3HD1 LEU 111 -5.274 0.814 -2.084 784 1HD2 LEU 111 1HD2 LEU 111 -6.338 -2.435 -0.734 785 2HD2 LEU 111 2HD2 LEU 111 -6.677 -0.705 -0.737 786 3HD2 LEU 111 3HD2 LEU 111 -5.482 -1.368 0.378 787 H SER 112 H SER 112 -6.652 -4.531 -3.845 788 HA SER 112 HA SER 112 -6.394 -4.427 -6.831 789 1HB SER 112 2HB SER 112 -7.156 -6.691 -6.925 790 2HB SER 112 1HB SER 112 -5.929 -6.653 -5.662 791 HG SER 112 HG SER 112 -7.623 -7.666 -4.741 792 H ARG 113 H ARG 113 -8.029 -3.223 -7.679 793 HA ARG 113 HA ARG 113 -10.343 -2.371 -6.300 794 1HB ARG 113 2HB ARG 113 -9.696 -1.289 -8.365 795 2HB ARG 113 1HB ARG 113 -9.894 -2.790 -9.269 796 1HG ARG 113 2HG ARG 113 -12.275 -2.772 -8.935 797 2HG ARG 113 1HG ARG 113 -12.160 -1.449 -7.776 798 1HD ARG 113 2HD ARG 113 -12.873 -0.488 -9.862 799 2HD ARG 113 1HD ARG 113 -11.184 -0.034 -9.640 800 HE ARG 113 HE ARG 113 -11.007 -2.358 -11.106 801 1HH1 ARG 113 1HH1 ARG 113 -13.649 -0.349 -11.532 802 2HH1 ARG 113 2HH1 ARG 113 -13.329 0.025 -13.192 803 1HH2 ARG 113 1HH2 ARG 113 -10.207 -1.482 -13.204 804 2HH2 ARG 113 2HH2 ARG 113 -11.378 -0.618 -14.139 805 H SER 114 H SER 114 -9.670 -5.417 -7.859 806 HA SER 114 HA SER 114 -12.280 -6.375 -8.346 807 1HB SER 114 2HB SER 114 -10.074 -7.528 -8.894 808 2HB SER 114 1HB SER 114 -10.033 -8.057 -7.215 809 HG SER 114 HG SER 114 -12.046 -8.581 -9.151 810 H THR 115 H THR 115 -10.414 -6.330 -5.321 811 HA THR 115 HA THR 115 -12.758 -7.459 -3.876 812 HB THR 115 HB THR 115 -11.247 -7.765 -2.008 813 HG1 THR 115 1HG THR 115 -10.099 -5.695 -2.769 814 1HG2 THR 115 1HG2 THR 115 -9.741 -8.469 -4.539 815 2HG2 THR 115 2HG2 THR 115 -11.137 -9.370 -3.949 816 3HG2 THR 115 3HG2 THR 115 -9.663 -9.301 -2.985 817 H ALA 116 H ALA 116 -12.604 -4.681 -5.000 818 HA ALA 116 HA ALA 116 -13.266 -2.536 -4.320 819 1HB ALA 116 1HB ALA 116 -14.692 -2.386 -2.461 820 2HB ALA 116 2HB ALA 116 -13.826 -3.639 -1.573 821 3HB ALA 116 3HB ALA 116 -14.858 -4.077 -2.933 822 H PHE 117 H PHE 117 -10.501 -3.529 -3.903 823 HA PHE 117 HA PHE 117 -8.512 -2.719 -2.979 824 1HB PHE 117 2HB PHE 117 -10.170 -0.452 -1.850 825 2HB PHE 117 1HB PHE 117 -8.452 -0.444 -2.239 826 HD1 PHE 117 1HD PHE 117 -11.841 -0.118 -3.552 827 HD2 PHE 117 2HD PHE 117 -7.699 -0.530 -4.613 828 HE1 PHE 117 1HE PHE 117 -12.358 0.626 -5.860 829 HE2 PHE 117 2HE PHE 117 -8.216 0.217 -6.919 830 HZ PHE 117 HZ PHE 117 -10.545 0.796 -7.543 831 H LEU 118 H LEU 118 -10.609 -4.324 -1.405 832 HA LEU 118 HA LEU 118 -9.740 -3.621 1.361 833 1HB LEU 118 2HB LEU 118 -11.937 -5.443 0.337 834 2HB LEU 118 1HB LEU 118 -11.547 -5.218 2.042 835 HG LEU 118 HG LEU 118 -12.362 -2.998 0.143 836 1HD1 LEU 118 1HD1 LEU 118 -14.513 -3.047 1.199 837 2HD1 LEU 118 2HD1 LEU 118 -13.960 -4.196 2.415 838 3HD1 LEU 118 3HD1 LEU 118 -14.147 -4.710 0.739 839 1HD2 LEU 118 1HD2 LEU 118 -11.160 -1.889 1.795 840 2HD2 LEU 118 2HD2 LEU 118 -11.507 -3.110 3.018 841 3HD2 LEU 118 3HD2 LEU 118 -12.748 -1.944 2.560 842 H ARG 119 H ARG 119 -8.345 -5.221 -0.951 843 HA ARG 119 HA ARG 119 -7.322 -7.333 0.865 844 1HB ARG 119 2HB ARG 119 -9.197 -8.049 -0.953 845 2HB ARG 119 1HB ARG 119 -7.759 -8.168 -1.965 846 1HG ARG 119 2HG ARG 119 -8.073 -10.323 -0.950 847 2HG ARG 119 1HG ARG 119 -6.705 -9.567 -0.134 848 1HD ARG 119 2HD ARG 119 -7.774 -9.764 1.845 849 2HD ARG 119 1HD ARG 119 -9.105 -8.781 1.235 850 HE ARG 119 HE ARG 119 -9.073 -11.699 1.433 851 1HH1 ARG 119 1HH2 ARG 119 -11.352 -9.620 1.822 852 2HH1 ARG 119 2HH2 ARG 119 -12.397 -10.070 0.517 853 1HH2 ARG 119 1HH1 ARG 119 -9.998 -11.986 -1.096 854 2HH2 ARG 119 2HH1 ARG 119 -11.632 -11.409 -1.135 855 H TRP 120 H TRP 120 -5.141 -7.902 0.392 856 HA TRP 120 HA TRP 120 -3.777 -5.973 -1.432 857 1HB TRP 120 2HB TRP 120 -2.482 -7.768 0.630 858 2HB TRP 120 1HB TRP 120 -1.804 -6.331 -0.131 859 HD1 TRP 120 HD TRP 120 -4.159 -4.316 0.203 860 HE1 TRP 120 1HE TRP 120 -4.813 -3.452 2.544 861 HE3 TRP 120 3HE TRP 120 -2.165 -8.017 3.094 862 HZ2 TRP 120 2HZ TRP 120 -4.525 -4.234 5.283 863 HZ3 TRP 120 3HZ TRP 120 -2.368 -7.938 5.559 864 HH2 TRP 120 HH TRP 120 -3.545 -6.055 6.657 865 H LYS 121 H LYS 121 -2.641 -6.688 -3.185 866 HA LYS 121 HA LYS 121 -2.376 -9.649 -3.564 867 1HB LYS 121 2HB LYS 121 -4.068 -8.433 -5.068 868 2HB LYS 121 1HB LYS 121 -2.679 -7.626 -5.793 869 1HG LYS 121 2HG LYS 121 -2.885 -9.466 -7.202 870 2HG LYS 121 1HG LYS 121 -1.745 -10.093 -6.014 871 1HD LYS 121 2HD LYS 121 -3.557 -11.194 -4.800 872 2HD LYS 121 1HD LYS 121 -4.752 -10.486 -5.887 873 1HE LYS 121 2HE LYS 121 -4.313 -12.776 -6.586 874 2HE LYS 121 1HE LYS 121 -3.649 -11.674 -7.794 875 1HZ LYS 121 1HZ LYS 121 -2.094 -13.445 -7.212 876 2HZ LYS 121 2HZ LYS 121 -2.104 -12.933 -5.592 877 3HZ LYS 121 3HZ LYS 121 -1.477 -11.920 -6.803 878 H ASP 122 H ASP 122 -0.399 -10.376 -4.322 879 HA ASP 122 HA ASP 122 1.844 -8.640 -3.853 880 1HB ASP 122 2HB ASP 122 1.854 -11.310 -5.283 881 2HB ASP 122 1HB ASP 122 3.218 -10.530 -4.480 882 H TYR 123 H TYR 123 3.400 -7.887 -5.422 883 HA TYR 123 HA TYR 123 2.782 -8.153 -8.280 884 1HB TYR 123 2HB TYR 123 2.034 -5.759 -6.699 885 2HB TYR 123 1HB TYR 123 2.914 -5.414 -8.187 886 HD1 TYR 123 1HD TYR 123 1.981 -5.987 -10.371 887 HD2 TYR 123 2HD TYR 123 -0.160 -6.841 -6.747 888 HE1 TYR 123 1HE TYR 123 -0.083 -6.392 -11.686 889 HE2 TYR 123 2HE TYR 123 -2.222 -7.248 -8.063 890 HH TYR 123 HH TYR 123 -2.636 -6.271 -11.179 891 H ASN 124 H ASN 124 4.526 -7.279 -9.613 892 HA ASN 124 HA ASN 124 7.125 -7.670 -8.531 893 1HB ASN 124 2HB ASN 124 6.413 -7.695 -10.996 894 2HB ASN 124 1HB ASN 124 6.536 -5.936 -10.938 895 1HD2 ASN 124 1HD2 ASN 124 8.647 -8.286 -9.239 896 2HD2 ASN 124 2HD2 ASN 124 10.069 -7.824 -10.043 897 H CYS 125 H CYS 125 8.099 -6.406 -7.049 898 HA CYS 125 HA CYS 125 7.298 -3.915 -6.115 899 1HB CYS 125 2HB CYS 125 10.083 -5.083 -6.294 900 2HB CYS 125 1HB CYS 125 9.704 -3.616 -5.394 901 H ASN 126 H ASN 126 8.451 -4.476 -9.248 902 HA ASN 126 HA ASN 126 9.586 -1.731 -9.462 903 1HB ASN 126 2HB ASN 126 9.561 -4.025 -11.449 904 2HB ASN 126 1HB ASN 126 10.332 -2.461 -11.717 905 1HD2 ASN 126 1HD2 ASN 126 12.543 -3.066 -11.649 906 2HD2 ASN 126 2HD2 ASN 126 13.273 -3.810 -10.309 907 H VAL 127 H VAL 127 6.861 -3.682 -10.643 908 HA VAL 127 HA VAL 127 5.942 -1.938 -12.688 909 HB VAL 127 HB VAL 127 4.492 -3.746 -10.741 910 1HG1 VAL 127 1HG1 VAL 127 2.860 -2.053 -11.113 911 2HG1 VAL 127 2HG1 VAL 127 2.470 -3.324 -12.271 912 3HG1 VAL 127 3HG1 VAL 127 3.318 -1.874 -12.806 913 1HG2 VAL 127 1HG2 VAL 127 4.637 -3.857 -13.760 914 2HG2 VAL 127 2HG2 VAL 127 4.206 -5.154 -12.644 915 3HG2 VAL 127 3HG2 VAL 127 5.872 -4.586 -12.735 916 H ARG 128 H ARG 128 5.015 0.148 -12.564 917 HA ARG 128 HA ARG 128 4.937 1.298 -9.849 918 1HB ARG 128 2HB ARG 128 4.400 3.394 -11.434 919 2HB ARG 128 1HB ARG 128 6.043 2.822 -11.179 920 1HG ARG 128 2HG ARG 128 5.898 1.458 -13.225 921 2HG ARG 128 1HG ARG 128 4.242 2.007 -13.477 922 1HD ARG 128 2HD ARG 128 5.452 4.408 -13.255 923 2HD ARG 128 1HD ARG 128 6.809 3.469 -13.873 924 HE ARG 128 HE ARG 128 4.287 4.025 -15.319 925 1HH1 ARG 128 1HH1 ARG 128 7.528 3.904 -15.748 926 2HH1 ARG 128 2HH1 ARG 128 7.524 2.875 -17.141 927 1HH2 ARG 128 1HH2 ARG 128 4.173 2.038 -16.843 928 2HH2 ARG 128 2HH2 ARG 128 5.626 1.817 -17.761 929 H LEU 129 H LEU 129 3.014 2.376 -8.984 930 HA LEU 129 HA LEU 129 0.573 1.966 -10.677 931 1HB LEU 129 2HB LEU 129 1.149 0.693 -8.012 932 2HB LEU 129 1HB LEU 129 -0.508 1.079 -8.441 933 HG LEU 129 HG LEU 129 0.750 -0.245 -10.678 934 1HD1 LEU 129 1HD1 LEU 129 1.139 -2.447 -9.601 935 2HD1 LEU 129 2HD1 LEU 129 0.911 -1.697 -8.022 936 3HD1 LEU 129 3HD1 LEU 129 2.278 -1.228 -9.031 937 1HD2 LEU 129 1HD2 LEU 129 -1.451 -0.993 -8.740 938 2HD2 LEU 129 2HD2 LEU 129 -1.102 -1.863 -10.233 939 3HD2 LEU 129 3HD2 LEU 129 -1.645 -0.188 -10.297 940 HA PRO 130 HA PRO 130 -0.611 5.805 -8.787 941 1HB PRO 130 2HB PRO 130 -3.268 4.954 -8.025 942 2HB PRO 130 1HB PRO 130 -2.815 5.977 -9.392 943 1HG PRO 130 2HG PRO 130 -3.688 3.218 -9.428 944 2HG PRO 130 1HG PRO 130 -3.356 4.283 -10.796 945 1HD PRO 130 2HD PRO 130 -1.793 2.056 -9.959 946 2HD PRO 130 1HD PRO 130 -1.347 3.259 -11.191 947 H TYR 131 H TYR 131 -0.192 6.367 -6.531 948 HA TYR 131 HA TYR 131 -0.799 4.175 -4.571 949 1HB TYR 131 2HB TYR 131 1.402 4.443 -3.581 950 2HB TYR 131 1HB TYR 131 1.573 4.107 -5.303 951 HD1 TYR 131 1HD TYR 131 1.824 6.096 -6.905 952 HD2 TYR 131 2HD TYR 131 2.327 6.413 -2.652 953 HE1 TYR 131 1HE TYR 131 3.071 8.219 -7.211 954 HE2 TYR 131 2HE TYR 131 3.573 8.536 -2.956 955 HH TYR 131 HH TYR 131 5.031 9.508 -5.167 956 H VAL 132 H VAL 132 -0.368 4.922 -2.264 957 HA VAL 132 HA VAL 132 -1.381 7.728 -1.924 958 HB VAL 132 HB VAL 132 -1.780 5.304 -0.137 959 1HG1 VAL 132 1HG1 VAL 132 -2.739 8.173 0.076 960 2HG1 VAL 132 2HG1 VAL 132 -1.654 7.341 1.188 961 3HG1 VAL 132 3HG1 VAL 132 -3.344 6.852 1.074 962 1HG2 VAL 132 1HG2 VAL 132 -4.016 5.241 -0.904 963 2HG2 VAL 132 2HG2 VAL 132 -3.075 5.500 -2.374 964 3HG2 VAL 132 3HG2 VAL 132 -3.909 6.855 -1.611 965 H CYS 133 H CYS 133 -0.502 8.797 0.072 966 HA CYS 133 HA CYS 133 2.010 7.566 1.085 967 1HB CYS 133 2HB CYS 133 2.819 8.879 -0.748 968 2HB CYS 133 1HB CYS 133 1.777 10.235 -0.322 969 H LYS 134 H LYS 134 2.212 7.885 3.257 970 HA LYS 134 HA LYS 134 0.367 9.854 4.539 971 1HB LYS 134 2HB LYS 134 0.564 8.553 6.526 972 2HB LYS 134 1HB LYS 134 0.426 7.379 5.221 973 1HG LYS 134 2HG LYS 134 2.984 7.346 5.167 974 2HG LYS 134 1HG LYS 134 2.930 8.228 6.693 975 1HD LYS 134 2HD LYS 134 1.454 5.619 6.273 976 2HD LYS 134 1HD LYS 134 3.105 5.688 6.888 977 1HE LYS 134 2HE LYS 134 2.248 7.284 8.675 978 2HE LYS 134 1HE LYS 134 0.619 6.868 8.145 979 1HZ LYS 134 1HZ LYS 134 2.074 5.505 9.977 980 2HZ LYS 134 2HZ LYS 134 2.301 4.580 8.571 981 3HZ LYS 134 3HZ LYS 134 0.732 4.893 9.140 982 H PHE 135 H PHE 135 1.240 11.313 6.182 983 HA PHE 135 HA PHE 135 4.057 11.469 6.781 984 1HB PHE 135 2HB PHE 135 4.593 13.505 5.421 985 2HB PHE 135 1HB PHE 135 4.351 12.056 4.449 986 HD1 PHE 135 1HD PHE 135 2.328 11.770 3.080 987 HD2 PHE 135 2HD PHE 135 2.970 15.325 5.403 988 HE1 PHE 135 1HE PHE 135 0.523 12.914 1.826 989 HE2 PHE 135 2HE PHE 135 1.163 16.470 4.147 990 HZ PHE 135 HZ PHE 135 -0.060 15.265 2.360 991 H THR 136 H THR 136 3.963 12.473 8.741 992 HA THR 136 HA THR 136 1.733 14.254 9.392 993 HB THR 136 HB THR 136 4.127 14.022 11.177 994 HG1 THR 136 1HG THR 136 3.704 11.921 10.244 995 1HG2 THR 136 1HG2 THR 136 2.409 13.956 12.898 996 2HG2 THR 136 2HG2 THR 136 1.147 13.784 11.676 997 3HG2 THR 136 3HG2 THR 136 2.061 15.287 11.794 998 H ASP 137 H ASP 137 3.625 15.895 11.137 999 HA ASP 137 HA ASP 137 4.023 18.036 9.192 1000 1HB ASP 137 2HB ASP 137 4.817 17.848 12.115 1001 2HB ASP 137 1HB ASP 137 4.856 19.316 11.140 Start of MODEL 2 1 1H ARG 1 1HT ARG 1 -4.219 21.073 9.265 2 2H ARG 1 2HT ARG 1 -5.845 21.567 9.236 3 3H ARG 1 3HT ARG 1 -4.638 22.641 9.762 4 HA ARG 1 HA ARG 1 -5.656 22.555 7.262 5 1HB ARG 1 2HB ARG 1 -4.279 24.336 8.444 6 2HB ARG 1 1HB ARG 1 -2.844 23.432 7.961 7 1HG ARG 1 2HG ARG 1 -3.462 23.647 5.602 8 2HG ARG 1 1HG ARG 1 -4.949 24.484 6.050 9 1HD ARG 1 2HD ARG 1 -3.490 26.214 7.210 10 2HD ARG 1 1HD ARG 1 -2.107 25.447 6.432 11 HE ARG 1 HE ARG 1 -3.742 27.331 5.157 12 1HH1 ARG 1 1HH1 ARG 1 -1.406 25.287 4.271 13 2HH1 ARG 1 2HH1 ARG 1 -2.061 24.824 2.735 14 1HH2 ARG 1 1HH2 ARG 1 -5.178 26.216 3.349 15 2HH2 ARG 1 2HH2 ARG 1 -4.196 25.351 2.214 16 H CYS 2 H CYS 2 -5.459 21.145 5.593 17 HA CYS 2 HA CYS 2 -2.846 19.945 5.013 18 1HB CYS 2 2HB CYS 2 -5.007 18.489 6.290 19 2HB CYS 2 1HB CYS 2 -4.641 17.783 4.719 20 HA PRO 3 HA PRO 3 -4.045 20.505 0.811 21 1HB PRO 3 2HB PRO 3 -3.481 17.826 -0.082 22 2HB PRO 3 1HB PRO 3 -2.486 19.272 -0.268 23 1HG PRO 3 2HG PRO 3 -2.076 17.032 1.509 24 2HG PRO 3 1HG PRO 3 -1.026 18.426 1.239 25 1HD PRO 3 2HD PRO 3 -2.573 17.874 3.573 26 2HD PRO 3 1HD PRO 3 -1.660 19.361 3.220 27 H LYS 4 H LYS 4 -5.653 19.810 -0.831 28 HA LYS 4 HA LYS 4 -8.045 18.738 0.394 29 1HB LYS 4 2HB LYS 4 -7.598 19.348 -2.533 30 2HB LYS 4 1HB LYS 4 -9.137 19.283 -1.673 31 1HG LYS 4 2HG LYS 4 -8.120 21.166 -0.183 32 2HG LYS 4 1HG LYS 4 -6.972 21.373 -1.505 33 1HD LYS 4 2HD LYS 4 -8.633 22.848 -2.176 34 2HD LYS 4 1HD LYS 4 -9.176 21.379 -2.987 35 1HE LYS 4 2HE LYS 4 -11.116 22.199 -1.903 36 2HE LYS 4 1HE LYS 4 -10.535 20.919 -0.839 37 1HZ LYS 4 1HZ LYS 4 -10.885 23.643 -0.262 38 2HZ LYS 4 2HZ LYS 4 -9.230 23.279 -0.127 39 3HZ LYS 4 3HZ LYS 4 -10.373 22.403 0.775 40 H GLY 5 H GLY 5 -9.071 16.769 -0.197 41 1HA GLY 5 2HA GLY 5 -9.194 14.575 -1.075 42 2HA GLY 5 1HA GLY 5 -7.814 14.959 -2.113 43 H SER 6 H SER 6 -6.704 16.073 0.614 44 HA SER 6 HA SER 6 -5.280 13.549 1.271 45 1HB SER 6 2HB SER 6 -3.660 14.902 2.328 46 2HB SER 6 1HB SER 6 -4.187 15.893 0.973 47 HG SER 6 HG SER 6 -5.759 16.198 3.173 48 H LYS 7 H LYS 7 -5.477 12.500 3.282 49 HA LYS 7 HA LYS 7 -7.417 13.719 5.222 50 1HB LYS 7 2HB LYS 7 -7.283 10.840 4.283 51 2HB LYS 7 1HB LYS 7 -8.255 11.394 5.648 52 1HG LYS 7 2HG LYS 7 -9.310 13.074 4.030 53 2HG LYS 7 1HG LYS 7 -8.542 12.160 2.734 54 1HD LYS 7 2HD LYS 7 -10.225 10.733 4.787 55 2HD LYS 7 1HD LYS 7 -10.992 11.556 3.432 56 1HE LYS 7 2HE LYS 7 -9.835 10.206 1.832 57 2HE LYS 7 1HE LYS 7 -8.753 9.558 3.063 58 1HZ LYS 7 1HZ LYS 7 -11.256 8.995 3.992 59 2HZ LYS 7 2HZ LYS 7 -10.195 7.899 3.245 60 3HZ LYS 7 3HZ LYS 7 -11.376 8.705 2.327 61 H ALA 8 H ALA 8 -6.783 13.604 7.351 62 HA ALA 8 HA ALA 8 -4.076 12.589 7.886 63 1HB ALA 8 1HB ALA 8 -4.469 13.551 10.162 64 2HB ALA 8 2HB ALA 8 -6.100 13.991 9.654 65 3HB ALA 8 3HB ALA 8 -4.701 14.724 8.866 66 H TYR 9 H TYR 9 -3.598 11.000 9.488 67 HA TYR 9 HA TYR 9 -5.722 9.520 10.816 68 1HB TYR 9 2HB TYR 9 -5.463 8.764 8.248 69 2HB TYR 9 1HB TYR 9 -4.167 7.789 8.937 70 HD1 TYR 9 1HD TYR 9 -4.879 6.676 11.321 71 HD2 TYR 9 2HD TYR 9 -7.557 7.748 8.138 72 HE1 TYR 9 1HE TYR 9 -6.548 5.054 12.177 73 HE2 TYR 9 2HE TYR 9 -9.224 6.126 8.993 74 HH TYR 9 HH TYR 9 -9.753 5.048 11.240 75 H GLY 10 H GLY 10 -4.836 8.632 12.647 76 1HA GLY 10 2HA GLY 10 -3.193 7.759 14.098 77 2HA GLY 10 1HA GLY 10 -2.130 7.575 12.702 78 H SER 11 H SER 11 -1.353 9.811 11.790 79 HA SER 11 HA SER 11 -1.261 12.118 13.438 80 1HB SER 11 2HB SER 11 1.239 11.747 14.151 81 2HB SER 11 1HB SER 11 -0.050 11.053 15.129 82 HG SER 11 HG SER 11 0.373 9.088 14.311 83 H HIS 12 H HIS 12 -1.171 11.121 10.574 84 HA HIS 12 HA HIS 12 0.873 13.051 9.669 85 1HB HIS 12 2HB HIS 12 0.737 10.205 8.632 86 2HB HIS 12 1HB HIS 12 1.819 11.471 8.055 87 HD1 HIS 12 1HD HIS 12 3.975 11.807 9.310 88 HD2 HIS 12 2HD HIS 12 1.288 9.414 11.417 89 HE1 HIS 12 1HE HIS 12 5.229 10.925 11.328 90 H CYS 13 H CYS 13 0.456 13.771 7.468 91 HA CYS 13 HA CYS 13 -2.404 13.619 6.784 92 1HB CYS 13 2HB CYS 13 -0.745 15.696 6.697 93 2HB CYS 13 1HB CYS 13 -0.416 15.073 5.080 94 H TYR 14 H TYR 14 -3.202 12.256 5.250 95 HA TYR 14 HA TYR 14 -1.258 10.733 3.602 96 1HB TYR 14 2HB TYR 14 -4.189 10.284 4.212 97 2HB TYR 14 1HB TYR 14 -3.266 9.293 3.085 98 HD1 TYR 14 1HD TYR 14 -2.968 10.657 6.576 99 HD2 TYR 14 2HD TYR 14 -2.260 7.359 3.914 100 HE1 TYR 14 1HE TYR 14 -2.086 9.320 8.464 101 HE2 TYR 14 2HE TYR 14 -1.380 6.022 5.808 102 HH TYR 14 HH TYR 14 -1.579 5.964 8.264 103 H ALA 15 H ALA 15 -1.417 10.679 1.322 104 HA ALA 15 HA ALA 15 -3.472 12.393 0.043 105 1HB ALA 15 1HB ALA 15 -1.805 13.670 -1.209 106 2HB ALA 15 2HB ALA 15 -0.499 12.784 -0.420 107 3HB ALA 15 3HB ALA 15 -1.520 13.872 0.520 108 H LEU 16 H LEU 16 -4.026 11.647 -1.975 109 HA LEU 16 HA LEU 16 -2.735 9.125 -2.857 110 1HB LEU 16 2HB LEU 16 -5.090 8.911 -2.784 111 2HB LEU 16 1HB LEU 16 -5.347 10.512 -3.469 112 HG LEU 16 HG LEU 16 -4.508 9.746 -5.646 113 1HD1 LEU 16 1HD1 LEU 16 -2.907 8.095 -5.284 114 2HD1 LEU 16 2HD1 LEU 16 -4.285 7.108 -5.755 115 3HD1 LEU 16 3HD1 LEU 16 -3.869 7.284 -4.052 116 1HD2 LEU 16 1HD2 LEU 16 -6.309 8.067 -6.127 117 2HD2 LEU 16 2HD2 LEU 16 -6.886 9.475 -5.236 118 3HD2 LEU 16 3HD2 LEU 16 -6.605 7.951 -4.392 119 H PHE 17 H PHE 17 -1.338 9.127 -4.574 120 HA PHE 17 HA PHE 17 -1.154 11.596 -6.227 121 1HB PHE 17 2HB PHE 17 0.802 9.477 -5.376 122 2HB PHE 17 1HB PHE 17 1.072 10.309 -6.907 123 HD1 PHE 17 1HD PHE 17 2.686 11.978 -6.661 124 HD2 PHE 17 2HD PHE 17 -0.233 11.413 -3.562 125 HE1 PHE 17 1HE PHE 17 3.608 13.928 -5.437 126 HE2 PHE 17 2HE PHE 17 0.689 13.363 -2.339 127 HZ PHE 17 HZ PHE 17 2.608 14.621 -3.276 128 H LEU 18 H LEU 18 -2.271 11.365 -8.086 129 HA LEU 18 HA LEU 18 -3.021 8.791 -9.163 130 1HB LEU 18 2HB LEU 18 -3.314 11.658 -9.990 131 2HB LEU 18 1HB LEU 18 -3.486 10.432 -11.241 132 HG LEU 18 HG LEU 18 -5.623 11.174 -9.997 133 1HD1 LEU 18 1HD1 LEU 18 -5.038 8.207 -9.929 134 2HD1 LEU 18 2HD1 LEU 18 -5.315 9.093 -11.428 135 3HD1 LEU 18 3HD1 LEU 18 -6.587 8.997 -10.213 136 1HD2 LEU 18 1HD2 LEU 18 -4.319 10.864 -7.730 137 2HD2 LEU 18 2HD2 LEU 18 -4.782 9.172 -7.911 138 3HD2 LEU 18 3HD2 LEU 18 -6.021 10.421 -7.821 139 H SER 19 H SER 19 -0.128 9.905 -8.790 140 HA SER 19 HA SER 19 0.826 9.467 -11.574 141 1HB SER 19 2HB SER 19 3.064 9.939 -9.990 142 2HB SER 19 1HB SER 19 2.234 11.115 -11.004 143 HG SER 19 HG SER 19 2.483 11.219 -8.434 144 HA PRO 20 HA PRO 20 1.671 5.215 -10.358 145 1HB PRO 20 2HB PRO 20 3.284 4.889 -12.712 146 2HB PRO 20 1HB PRO 20 1.635 4.324 -12.434 147 1HG PRO 20 2HG PRO 20 2.508 6.456 -14.145 148 2HG PRO 20 1HG PRO 20 0.861 5.883 -13.877 149 1HD PRO 20 2HD PRO 20 2.057 8.338 -12.973 150 2HD PRO 20 1HD PRO 20 0.390 7.761 -12.706 151 H LYS 21 H LYS 21 3.498 4.111 -9.440 152 HA LYS 21 HA LYS 21 6.211 5.103 -9.897 153 1HB LYS 21 2HB LYS 21 4.691 5.813 -7.402 154 2HB LYS 21 1HB LYS 21 6.420 5.495 -7.285 155 1HG LYS 21 2HG LYS 21 6.641 7.173 -9.265 156 2HG LYS 21 1HG LYS 21 5.009 7.672 -8.824 157 1HD LYS 21 2HD LYS 21 5.825 8.015 -6.470 158 2HD LYS 21 1HD LYS 21 7.462 7.705 -7.049 159 1HE LYS 21 2HE LYS 21 6.974 10.132 -6.970 160 2HE LYS 21 1HE LYS 21 7.281 9.587 -8.619 161 1HZ LYS 21 1HZ LYS 21 5.292 10.327 -9.191 162 2HZ LYS 21 2HZ LYS 21 4.987 10.830 -7.596 163 3HZ LYS 21 3HZ LYS 21 4.559 9.263 -8.092 164 H SER 22 H SER 22 7.546 3.345 -9.677 165 HA SER 22 HA SER 22 6.676 0.766 -9.020 166 1HB SER 22 2HB SER 22 9.162 0.378 -8.403 167 2HB SER 22 1HB SER 22 8.792 0.888 -10.045 168 HG SER 22 HG SER 22 10.505 2.069 -8.907 169 H TRP 23 H TRP 23 6.728 -0.476 -7.073 170 HA TRP 23 HA TRP 23 5.941 0.849 -4.701 171 1HB TRP 23 2HB TRP 23 5.561 -1.557 -5.024 172 2HB TRP 23 1HB TRP 23 7.300 -1.852 -4.994 173 HD1 TRP 23 HD TRP 23 4.326 -1.377 -2.772 174 HE1 TRP 23 1HE TRP 23 5.049 -1.505 -0.301 175 HE3 TRP 23 3HE TRP 23 9.401 -1.245 -3.329 176 HZ2 TRP 23 2HZ TRP 23 7.461 -1.546 1.237 177 HZ3 TRP 23 3HZ TRP 23 10.885 -1.329 -1.346 178 HH2 TRP 23 HH TRP 23 9.923 -1.479 0.932 179 H THR 24 H THR 24 9.021 0.425 -6.113 180 HA THR 24 HA THR 24 10.480 0.983 -3.599 181 HB THR 24 HB THR 24 11.270 -0.665 -5.378 182 HG1 THR 24 1HG THR 24 13.200 1.330 -5.055 183 1HG2 THR 24 1HG2 THR 24 11.901 0.037 -7.462 184 2HG2 THR 24 2HG2 THR 24 12.476 1.595 -6.871 185 3HG2 THR 24 3HG2 THR 24 10.756 1.335 -7.135 186 H ASP 25 H ASP 25 9.168 2.614 -6.294 187 HA ASP 25 HA ASP 25 10.930 4.964 -6.051 188 1HB ASP 25 2HB ASP 25 8.684 4.169 -7.879 189 2HB ASP 25 1HB ASP 25 9.110 5.873 -7.739 190 H ALA 26 H ALA 26 7.528 4.082 -5.382 191 HA ALA 26 HA ALA 26 6.950 6.724 -4.298 192 1HB ALA 26 1HB ALA 26 5.266 5.036 -5.274 193 2HB ALA 26 2HB ALA 26 4.809 5.831 -3.770 194 3HB ALA 26 3HB ALA 26 5.425 4.178 -3.744 195 H ASP 27 H ASP 27 8.082 3.618 -3.163 196 HA ASP 27 HA ASP 27 7.782 4.072 -0.355 197 1HB ASP 27 2HB ASP 27 8.200 1.851 -1.198 198 2HB ASP 27 1HB ASP 27 9.695 2.375 -1.971 199 H LEU 28 H LEU 28 10.428 4.740 -2.637 200 HA LEU 28 HA LEU 28 12.218 5.759 -0.601 201 1HB LEU 28 2HB LEU 28 12.985 4.884 -2.811 202 2HB LEU 28 1HB LEU 28 12.238 6.278 -3.588 203 HG LEU 28 HG LEU 28 13.677 7.777 -2.201 204 1HD1 LEU 28 1HD1 LEU 28 14.319 6.627 -0.288 205 2HD1 LEU 28 2HD1 LEU 28 15.764 6.420 -1.275 206 3HD1 LEU 28 3HD1 LEU 28 14.586 5.115 -1.156 207 1HD2 LEU 28 1HD2 LEU 28 15.837 7.144 -3.381 208 2HD2 LEU 28 2HD2 LEU 28 14.429 7.292 -4.432 209 3HD2 LEU 28 3HD2 LEU 28 15.009 5.697 -3.954 210 H ALA 29 H ALA 29 10.232 7.375 -3.107 211 HA ALA 29 HA ALA 29 10.835 10.036 -2.275 212 1HB ALA 29 1HB ALA 29 8.322 8.966 -3.590 213 2HB ALA 29 2HB ALA 29 9.764 9.542 -4.428 214 3HB ALA 29 3HB ALA 29 8.777 10.667 -3.494 215 H CYS 30 H CYS 30 8.011 7.967 -1.440 216 HA CYS 30 HA CYS 30 6.896 9.875 0.378 217 1HB CYS 30 2HB CYS 30 6.642 6.851 0.329 218 2HB CYS 30 1HB CYS 30 5.608 7.945 1.253 219 H GLN 31 H GLN 31 9.521 7.606 0.620 220 HA GLN 31 HA GLN 31 9.635 7.641 3.534 221 1HB GLN 31 2HB GLN 31 10.652 5.748 2.456 222 2HB GLN 31 1HB GLN 31 11.602 6.786 1.394 223 1HG GLN 31 2HG GLN 31 12.999 7.511 3.177 224 2HG GLN 31 1HG GLN 31 11.894 6.884 4.400 225 1HE2 GLN 31 1HE2 GLN 31 14.835 6.205 3.141 226 2HE2 GLN 31 2HE2 GLN 31 14.830 4.511 3.238 227 H LYS 32 H LYS 32 10.760 9.606 0.903 228 HA LYS 32 HA LYS 32 12.744 11.042 2.442 229 1HB LYS 32 2HB LYS 32 13.066 10.979 0.070 230 2HB LYS 32 1HB LYS 32 11.423 11.542 -0.230 231 1HG LYS 32 2HG LYS 32 11.913 13.731 0.546 232 2HG LYS 32 1HG LYS 32 13.415 13.209 1.311 233 1HD LYS 32 2HD LYS 32 13.966 14.367 -0.754 234 2HD LYS 32 1HD LYS 32 14.316 12.652 -0.962 235 1HE LYS 32 2HE LYS 32 11.637 13.786 -1.756 236 2HE LYS 32 1HE LYS 32 13.015 13.864 -2.853 237 1HZ LYS 32 1HZ LYS 32 11.337 11.762 -2.605 238 2HZ LYS 32 2HZ LYS 32 12.653 11.284 -1.643 239 3HZ LYS 32 3HZ LYS 32 12.894 11.694 -3.274 240 H ARG 33 H ARG 33 9.373 11.038 2.349 241 HA ARG 33 HA ARG 33 8.955 13.875 2.876 242 1HB ARG 33 2HB ARG 33 7.280 11.425 2.691 243 2HB ARG 33 1HB ARG 33 6.649 12.719 3.702 244 1HG ARG 33 2HG ARG 33 6.959 14.304 1.792 245 2HG ARG 33 1HG ARG 33 7.474 12.947 0.791 246 1HD ARG 33 2HD ARG 33 5.256 11.835 1.388 247 2HD ARG 33 1HD ARG 33 4.762 13.391 2.053 248 HE ARG 33 HE ARG 33 5.754 13.484 -0.715 249 1HH1 ARG 33 1HH2 ARG 33 3.742 15.308 0.781 250 2HH1 ARG 33 2HH2 ARG 33 2.285 14.918 -0.070 251 1HH2 ARG 33 1HH1 ARG 33 3.590 12.061 -1.539 252 2HH2 ARG 33 2HH1 ARG 33 2.199 13.080 -1.383 253 HA PRO 34 HA PRO 34 9.639 14.200 7.202 254 1HB PRO 34 2HB PRO 34 6.904 14.789 7.939 255 2HB PRO 34 1HB PRO 34 8.265 15.906 7.797 256 1HG PRO 34 2HG PRO 34 6.044 15.475 5.946 257 2HG PRO 34 1HG PRO 34 7.230 16.785 5.976 258 1HD PRO 34 2HD PRO 34 7.131 14.776 4.046 259 2HD PRO 34 1HD PRO 34 8.571 15.756 4.408 260 H SER 35 H SER 35 9.952 11.834 7.218 261 HA SER 35 HA SER 35 9.568 9.727 8.145 262 1HB SER 35 2HB SER 35 8.859 11.294 10.110 263 2HB SER 35 1HB SER 35 7.214 10.870 9.643 264 HG SER 35 HG SER 35 9.316 9.079 10.323 265 H GLY 36 H GLY 36 7.972 10.949 5.797 266 1HA GLY 36 2HA GLY 36 5.430 9.526 5.892 267 2HA GLY 36 1HA GLY 36 6.100 10.344 4.481 268 H ASN 37 H ASN 37 5.009 8.088 3.780 269 HA ASN 37 HA ASN 37 6.898 6.489 2.522 270 1HB ASN 37 2HB ASN 37 6.598 4.416 4.220 271 2HB ASN 37 1HB ASN 37 7.941 5.547 4.362 272 1HD2 ASN 37 1HD2 ASN 37 7.961 5.059 6.727 273 2HD2 ASN 37 2HD2 ASN 37 6.816 5.791 7.745 274 H LEU 38 H LEU 38 5.806 4.965 1.213 275 HA LEU 38 HA LEU 38 3.299 5.010 0.400 276 1HB LEU 38 2HB LEU 38 4.780 2.521 1.213 277 2HB LEU 38 1HB LEU 38 3.219 2.444 0.402 278 HG LEU 38 HG LEU 38 5.545 4.034 -0.684 279 1HD1 LEU 38 1HD1 LEU 38 6.101 2.183 -2.111 280 2HD1 LEU 38 2HD1 LEU 38 4.697 1.265 -1.568 281 3HD1 LEU 38 3HD1 LEU 38 6.044 1.551 -0.466 282 1HD2 LEU 38 1HD2 LEU 38 3.840 3.109 -2.718 283 2HD2 LEU 38 2HD2 LEU 38 3.941 4.750 -2.085 284 3HD2 LEU 38 3HD2 LEU 38 2.765 3.624 -1.422 285 H VAL 39 H VAL 39 1.210 4.801 1.105 286 HA VAL 39 HA VAL 39 0.379 5.150 3.685 287 HB VAL 39 HB VAL 39 -1.231 5.198 1.913 288 1HG1 VAL 39 1HG1 VAL 39 -0.160 3.439 0.518 289 2HG1 VAL 39 2HG1 VAL 39 -1.897 3.190 0.684 290 3HG1 VAL 39 3HG1 VAL 39 -0.773 2.214 1.629 291 1HG2 VAL 39 1HG2 VAL 39 -2.009 2.779 3.549 292 2HG2 VAL 39 2HG2 VAL 39 -3.049 4.065 2.940 293 3HG2 VAL 39 3HG2 VAL 39 -1.927 4.390 4.260 294 H SER 40 H SER 40 -0.366 3.823 5.395 295 HA SER 40 HA SER 40 0.879 1.096 5.475 296 1HB SER 40 2HB SER 40 0.502 1.647 8.072 297 2HB SER 40 1HB SER 40 1.942 2.182 7.214 298 HG SER 40 HG SER 40 0.114 3.982 6.737 299 H VAL 41 H VAL 41 -0.377 -0.253 7.321 300 HA VAL 41 HA VAL 41 -3.230 0.261 7.522 301 HB VAL 41 HB VAL 41 -3.180 -2.305 6.238 302 1HG1 VAL 41 1HG1 VAL 41 -4.288 0.397 5.451 303 2HG1 VAL 41 2HG1 VAL 41 -5.135 -0.912 6.274 304 3HG1 VAL 41 3HG1 VAL 41 -4.646 -1.099 4.589 305 1HG2 VAL 41 1HG2 VAL 41 -2.235 -1.929 4.117 306 2HG2 VAL 41 2HG2 VAL 41 -1.034 -1.245 5.206 307 3HG2 VAL 41 3HG2 VAL 41 -2.154 -0.186 4.352 308 H LEU 42 H LEU 42 -2.753 -0.093 9.775 309 HA LEU 42 HA LEU 42 -2.054 -2.928 10.473 310 1HB LEU 42 2HB LEU 42 -1.612 -0.354 11.997 311 2HB LEU 42 1HB LEU 42 -1.424 -1.949 12.722 312 HG LEU 42 HG LEU 42 0.032 -1.106 10.210 313 1HD1 LEU 42 1HD1 LEU 42 2.009 -0.916 11.844 314 2HD1 LEU 42 2HD1 LEU 42 0.800 -0.862 13.125 315 3HD1 LEU 42 3HD1 LEU 42 0.829 0.393 11.890 316 1HD2 LEU 42 1HD2 LEU 42 1.556 -2.991 11.048 317 2HD2 LEU 42 2HD2 LEU 42 -0.019 -3.489 10.439 318 3HD2 LEU 42 3HD2 LEU 42 0.264 -3.395 12.171 319 H SER 43 H SER 43 -4.752 -1.295 10.018 320 HA SER 43 HA SER 43 -6.097 -2.624 12.317 321 1HB SER 43 2HB SER 43 -6.830 0.200 11.542 322 2HB SER 43 1HB SER 43 -7.288 -0.690 12.991 323 HG SER 43 HG SER 43 -5.348 -0.338 13.834 324 H GLY 44 H GLY 44 -8.251 -3.237 11.868 325 1HA GLY 44 2HA GLY 44 -8.880 -3.765 9.126 326 2HA GLY 44 1HA GLY 44 -10.006 -3.936 10.472 327 H ALA 45 H ALA 45 -9.334 -0.996 11.119 328 HA ALA 45 HA ALA 45 -11.516 0.122 9.497 329 1HB ALA 45 1HB ALA 45 -11.451 0.712 11.850 330 2HB ALA 45 2HB ALA 45 -11.103 2.164 10.908 331 3HB ALA 45 3HB ALA 45 -9.792 1.290 11.701 332 H GLU 46 H GLU 46 -8.012 0.407 9.782 333 HA GLU 46 HA GLU 46 -7.760 2.696 8.039 334 1HB GLU 46 2HB GLU 46 -5.830 0.545 8.936 335 2HB GLU 46 1HB GLU 46 -5.352 1.839 7.836 336 1HG GLU 46 2HG GLU 46 -5.827 3.526 9.463 337 2HG GLU 46 1HG GLU 46 -6.666 2.378 10.507 338 H GLY 47 H GLY 47 -7.602 -0.824 7.538 339 1HA GLY 47 2HA GLY 47 -6.871 -0.764 4.787 340 2HA GLY 47 1HA GLY 47 -7.769 -2.075 5.554 341 H SER 48 H SER 48 -9.978 -0.342 6.393 342 HA SER 48 HA SER 48 -11.444 -0.325 3.843 343 1HB SER 48 2HB SER 48 -12.415 -1.130 6.060 344 2HB SER 48 1HB SER 48 -12.447 0.558 6.561 345 HG SER 48 HG SER 48 -13.626 -0.411 4.168 346 H PHE 49 H PHE 49 -10.021 1.954 6.095 347 HA PHE 49 HA PHE 49 -11.347 4.302 5.052 348 1HB PHE 49 2HB PHE 49 -10.016 3.968 7.288 349 2HB PHE 49 1HB PHE 49 -8.607 4.369 6.306 350 HD1 PHE 49 1HD PHE 49 -8.073 6.621 5.893 351 HD2 PHE 49 2HD PHE 49 -12.054 5.581 7.128 352 HE1 PHE 49 1HE PHE 49 -8.647 9.026 6.062 353 HE2 PHE 49 2HE PHE 49 -12.629 7.988 7.298 354 HZ PHE 49 HZ PHE 49 -10.926 9.710 6.765 355 H VAL 50 H VAL 50 -8.090 2.908 4.501 356 HA VAL 50 HA VAL 50 -7.305 4.812 2.527 357 HB VAL 50 HB VAL 50 -6.472 1.899 2.707 358 1HG1 VAL 50 1HG1 VAL 50 -4.414 2.731 1.610 359 2HG1 VAL 50 2HG1 VAL 50 -5.122 4.344 1.518 360 3HG1 VAL 50 3HG1 VAL 50 -5.835 3.014 0.606 361 1HG2 VAL 50 1HG2 VAL 50 -4.710 2.636 4.181 362 2HG2 VAL 50 2HG2 VAL 50 -6.221 3.264 4.838 363 3HG2 VAL 50 3HG2 VAL 50 -5.140 4.329 3.940 364 H SER 51 H SER 51 -9.090 1.756 2.306 365 HA SER 51 HA SER 51 -9.148 1.516 -0.520 366 1HB SER 51 2HB SER 51 -9.992 -0.332 0.682 367 2HB SER 51 1HB SER 51 -11.049 0.675 1.666 368 HG SER 51 HG SER 51 -12.254 1.101 -0.236 369 H SER 52 H SER 52 -11.297 3.306 1.688 370 HA SER 52 HA SER 52 -13.044 4.258 -0.404 371 1HB SER 52 2HB SER 52 -13.798 5.891 1.331 372 2HB SER 52 1HB SER 52 -13.798 4.228 1.913 373 HG SER 52 HG SER 52 -12.479 4.890 3.395 374 H LEU 53 H LEU 53 -9.935 5.260 0.778 375 HA LEU 53 HA LEU 53 -10.097 7.978 -0.269 376 1HB LEU 53 2HB LEU 53 -8.570 7.744 1.511 377 2HB LEU 53 1HB LEU 53 -7.926 6.234 0.878 378 HG LEU 53 HG LEU 53 -6.935 7.518 -1.038 379 1HD1 LEU 53 1HD1 LEU 53 -6.780 9.990 -0.768 380 2HD1 LEU 53 2HD1 LEU 53 -7.853 9.889 0.628 381 3HD1 LEU 53 3HD1 LEU 53 -8.449 9.462 -0.975 382 1HD2 LEU 53 1HD2 LEU 53 -5.067 8.338 0.226 383 2HD2 LEU 53 2HD2 LEU 53 -5.718 6.965 1.123 384 3HD2 LEU 53 3HD2 LEU 53 -6.072 8.609 1.650 385 H VAL 54 H VAL 54 -9.252 4.833 -1.495 386 HA VAL 54 HA VAL 54 -8.354 6.108 -4.052 387 HB VAL 54 HB VAL 54 -6.931 4.164 -4.415 388 1HG1 VAL 54 1HG1 VAL 54 -6.197 6.130 -2.960 389 2HG1 VAL 54 2HG1 VAL 54 -5.292 4.634 -2.738 390 3HG1 VAL 54 3HG1 VAL 54 -6.527 5.099 -1.567 391 1HG2 VAL 54 1HG2 VAL 54 -8.092 2.352 -3.417 392 2HG2 VAL 54 2HG2 VAL 54 -8.261 3.199 -1.880 393 3HG2 VAL 54 3HG2 VAL 54 -6.687 2.578 -2.374 394 H LYS 55 H LYS 55 -11.059 5.009 -2.927 395 HA LYS 55 HA LYS 55 -11.635 2.845 -4.840 396 1HB LYS 55 2HB LYS 55 -12.732 2.701 -2.693 397 2HB LYS 55 1HB LYS 55 -13.354 4.343 -2.839 398 1HG LYS 55 2HG LYS 55 -14.833 3.721 -4.616 399 2HG LYS 55 1HG LYS 55 -14.053 2.149 -4.805 400 1HD LYS 55 2HD LYS 55 -15.477 3.024 -2.275 401 2HD LYS 55 1HD LYS 55 -16.247 2.082 -3.549 402 1HE LYS 55 2HE LYS 55 -14.074 0.546 -3.202 403 2HE LYS 55 1HE LYS 55 -14.147 1.260 -1.589 404 1HZ LYS 55 1HZ LYS 55 -16.254 -0.290 -2.981 405 2HZ LYS 55 2HZ LYS 55 -16.545 0.606 -1.567 406 3HZ LYS 55 3HZ LYS 55 -15.449 -0.692 -1.544 407 H SER 56 H SER 56 -11.613 6.242 -4.860 408 HA SER 56 HA SER 56 -13.502 6.318 -7.185 409 1HB SER 56 2HB SER 56 -13.967 8.597 -6.646 410 2HB SER 56 1HB SER 56 -14.023 7.732 -5.113 411 HG SER 56 HG SER 56 -11.765 9.109 -6.156 412 H ILE 57 H ILE 57 -10.520 5.680 -6.992 413 HA ILE 57 HA ILE 57 -8.961 7.790 -8.022 414 HB ILE 57 HB ILE 57 -7.979 5.715 -7.237 415 1HG1 ILE 57 2HG1 ILE 57 -7.538 5.957 -10.225 416 2HG1 ILE 57 1HG1 ILE 57 -6.799 7.010 -9.019 417 1HG2 ILE 57 1HG2 ILE 57 -10.013 4.377 -8.245 418 2HG2 ILE 57 2HG2 ILE 57 -8.436 3.603 -8.123 419 3HG2 ILE 57 3HG2 ILE 57 -8.980 4.252 -9.667 420 1HD1 ILE 57 1HD1 ILE 57 -5.361 5.059 -9.756 421 2HD1 ILE 57 2HD1 ILE 57 -6.525 3.999 -8.964 422 3HD1 ILE 57 3HD1 ILE 57 -5.623 5.180 -8.017 423 H GLY 58 H GLY 58 -10.520 5.152 -9.902 424 1HA GLY 58 2HA GLY 58 -11.888 6.366 -11.850 425 2HA GLY 58 1HA GLY 58 -10.254 6.814 -12.345 426 H ASN 59 H ASN 59 -12.393 4.909 -13.483 427 HA ASN 59 HA ASN 59 -11.674 2.232 -13.309 428 1HB ASN 59 2HB ASN 59 -12.341 3.623 -15.913 429 2HB ASN 59 1HB ASN 59 -12.640 1.935 -15.495 430 1HD2 ASN 59 1HD2 ASN 59 -13.433 5.215 -14.192 431 2HD2 ASN 59 2HD2 ASN 59 -15.015 4.807 -13.735 432 H SER 60 H SER 60 -9.922 4.840 -14.855 433 HA SER 60 HA SER 60 -8.200 3.225 -16.494 434 1HB SER 60 2HB SER 60 -7.810 5.965 -15.262 435 2HB SER 60 1HB SER 60 -6.682 5.238 -16.402 436 HG SER 60 HG SER 60 -9.270 6.210 -16.784 437 H TYR 61 H TYR 61 -8.588 2.822 -13.356 438 HA TYR 61 HA TYR 61 -5.900 1.742 -12.965 439 1HB TYR 61 2HB TYR 61 -6.936 4.000 -11.233 440 2HB TYR 61 1HB TYR 61 -5.532 3.010 -10.844 441 HD1 TYR 61 1HD TYR 61 -6.530 6.030 -12.309 442 HD2 TYR 61 2HD TYR 61 -3.811 2.758 -12.915 443 HE1 TYR 61 1HE TYR 61 -5.112 7.473 -13.741 444 HE2 TYR 61 2HE TYR 61 -2.393 4.203 -14.349 445 HH TYR 61 HH TYR 61 -2.115 6.219 -15.217 446 H SER 62 H SER 62 -6.215 -0.154 -11.934 447 HA SER 62 HA SER 62 -8.695 -0.477 -10.290 448 1HB SER 62 2HB SER 62 -7.194 -2.302 -12.132 449 2HB SER 62 1HB SER 62 -8.076 -3.006 -10.779 450 HG SER 62 HG SER 62 -9.929 -2.367 -11.640 451 H TYR 63 H TYR 63 -5.200 -0.991 -10.390 452 HA TYR 63 HA TYR 63 -5.366 -1.986 -7.571 453 1HB TYR 63 2HB TYR 63 -3.305 -2.345 -9.734 454 2HB TYR 63 1HB TYR 63 -2.934 -2.669 -8.042 455 HD1 TYR 63 1HD TYR 63 -5.654 -3.387 -10.533 456 HD2 TYR 63 2HD TYR 63 -3.263 -4.840 -7.275 457 HE1 TYR 63 1HE TYR 63 -6.747 -5.605 -10.717 458 HE2 TYR 63 2HE TYR 63 -4.355 -7.056 -7.463 459 HH TYR 63 HH TYR 63 -6.705 -7.735 -10.039 460 H VAL 64 H VAL 64 -3.590 -1.261 -6.122 461 HA VAL 64 HA VAL 64 -2.433 1.402 -6.797 462 HB VAL 64 HB VAL 64 -4.126 0.840 -4.341 463 1HG1 VAL 64 1HG1 VAL 64 -2.162 2.471 -4.143 464 2HG1 VAL 64 2HG1 VAL 64 -3.751 3.085 -3.696 465 3HG1 VAL 64 3HG1 VAL 64 -3.056 3.501 -5.260 466 1HG2 VAL 64 1HG2 VAL 64 -5.576 1.053 -6.238 467 2HG2 VAL 64 2HG2 VAL 64 -4.645 2.412 -6.871 468 3HG2 VAL 64 3HG2 VAL 64 -5.606 2.605 -5.406 469 H TRP 65 H TRP 65 -0.434 1.733 -5.744 470 HA TRP 65 HA TRP 65 0.756 -0.637 -4.511 471 1HB TRP 65 2HB TRP 65 1.692 1.961 -5.542 472 2HB TRP 65 1HB TRP 65 2.599 1.383 -4.155 473 HD1 TRP 65 HD TRP 65 3.386 1.594 -7.373 474 HE1 TRP 65 1HE TRP 65 4.536 -0.456 -8.413 475 HE3 TRP 65 3HE TRP 65 2.037 -2.010 -3.993 476 HZ2 TRP 65 2HZ TRP 65 4.818 -3.237 -7.913 477 HZ3 TRP 65 3HZ TRP 65 2.765 -4.351 -4.321 478 HH2 TRP 65 HH TRP 65 4.154 -4.969 -6.271 479 H ILE 66 H ILE 66 1.556 -0.767 -2.324 480 HA ILE 66 HA ILE 66 0.819 1.495 -0.531 481 HB ILE 66 HB ILE 66 0.006 -0.172 1.179 482 1HG1 ILE 66 2HG1 ILE 66 0.051 -2.026 -1.216 483 2HG1 ILE 66 1HG1 ILE 66 1.007 -2.204 0.255 484 1HG2 ILE 66 1HG2 ILE 66 -1.473 1.189 -0.400 485 2HG2 ILE 66 2HG2 ILE 66 -2.211 -0.262 0.279 486 3HG2 ILE 66 3HG2 ILE 66 -1.606 -0.272 -1.377 487 1HD1 ILE 66 1HD1 ILE 66 -1.999 -2.417 -0.042 488 2HD1 ILE 66 2HD1 ILE 66 -1.213 -2.235 1.527 489 3HD1 ILE 66 3HD1 ILE 66 -0.880 -3.653 0.531 490 H GLY 67 H GLY 67 1.850 0.890 1.770 491 1HA GLY 67 2HA GLY 67 4.664 0.337 1.192 492 2HA GLY 67 1HA GLY 67 4.019 0.963 2.707 493 H LEU 68 H LEU 68 3.604 -2.033 0.787 494 HA LEU 68 HA LEU 68 4.282 -3.540 3.279 495 1HB LEU 68 2HB LEU 68 1.753 -3.498 2.529 496 2HB LEU 68 1HB LEU 68 2.298 -4.650 1.320 497 HG LEU 68 HG LEU 68 1.649 -6.047 3.086 498 1HD1 LEU 68 1HD1 LEU 68 4.545 -5.541 3.801 499 2HD1 LEU 68 2HD1 LEU 68 4.037 -6.464 2.387 500 3HD1 LEU 68 3HD1 LEU 68 3.638 -7.031 4.002 501 1HD2 LEU 68 1HD2 LEU 68 2.802 -5.289 5.465 502 2HD2 LEU 68 2HD2 LEU 68 1.147 -4.937 4.980 503 3HD2 LEU 68 3HD2 LEU 68 2.410 -3.732 4.735 504 H HIS 69 H HIS 69 5.925 -4.995 2.925 505 HA HIS 69 HA HIS 69 6.308 -5.995 0.149 506 1HB HIS 69 2HB HIS 69 8.654 -5.553 0.165 507 2HB HIS 69 1HB HIS 69 7.867 -4.052 0.652 508 HD1 HIS 69 1HD HIS 69 10.446 -6.363 1.709 509 HD2 HIS 69 2HD HIS 69 7.765 -3.838 3.643 510 HE1 HIS 69 1HE HIS 69 11.327 -6.054 4.066 511 H ASP 70 H ASP 70 8.229 -7.666 0.315 512 HA ASP 70 HA ASP 70 7.458 -9.569 2.479 513 1HB ASP 70 2HB ASP 70 8.751 -10.101 -0.210 514 2HB ASP 70 1HB ASP 70 8.276 -11.328 0.965 515 HA PRO 71 HA PRO 71 11.695 -8.320 3.700 516 1HB PRO 71 2HB PRO 71 11.267 -9.727 6.177 517 2HB PRO 71 1HB PRO 71 11.320 -7.983 5.908 518 1HG PRO 71 2HG PRO 71 9.045 -9.567 6.545 519 2HG PRO 71 1HG PRO 71 9.093 -7.843 6.177 520 1HD PRO 71 2HD PRO 71 8.085 -10.008 4.528 521 2HD PRO 71 1HD PRO 71 7.998 -8.255 4.232 522 H THR 72 H THR 72 10.317 -11.272 2.968 523 HA THR 72 HA THR 72 12.325 -13.096 3.922 524 HB THR 72 HB THR 72 11.326 -14.700 2.430 525 HG1 THR 72 1HG THR 72 11.328 -13.331 0.589 526 1HG2 THR 72 1HG2 THR 72 9.946 -13.726 4.373 527 2HG2 THR 72 2HG2 THR 72 9.061 -14.603 3.124 528 3HG2 THR 72 3HG2 THR 72 9.056 -12.840 3.134 529 H GLN 73 H GLN 73 11.961 -11.224 0.918 530 HA GLN 73 HA GLN 73 13.468 -10.940 -0.872 531 1HB GLN 73 2HB GLN 73 15.193 -10.965 1.604 532 2HB GLN 73 1HB GLN 73 15.908 -10.738 0.006 533 1HG GLN 73 2HG GLN 73 14.367 -8.829 -0.389 534 2HG GLN 73 1HG GLN 73 13.725 -9.033 1.243 535 1HE2 GLN 73 1HE2 GLN 73 15.701 -7.004 -0.318 536 2HE2 GLN 73 2HE2 GLN 73 16.872 -6.706 0.874 537 H GLY 74 H GLY 74 12.960 -13.814 0.369 538 1HA GLY 74 2HA GLY 74 13.434 -15.889 -0.743 539 2HA GLY 74 1HA GLY 74 14.849 -15.142 -1.486 540 H THR 75 H THR 75 13.965 -15.173 1.964 541 HA THR 75 HA THR 75 16.139 -17.097 2.534 542 HB THR 75 HB THR 75 16.858 -15.293 4.377 543 HG1 THR 75 1HG THR 75 15.437 -13.925 2.424 544 1HG2 THR 75 1HG2 THR 75 17.723 -15.142 1.475 545 2HG2 THR 75 2HG2 THR 75 18.332 -16.299 2.659 546 3HG2 THR 75 3HG2 THR 75 18.652 -14.577 2.862 547 H GLU 76 H GLU 76 13.109 -16.679 2.875 548 HA GLU 76 HA GLU 76 13.021 -17.216 5.822 549 1HB GLU 76 2HB GLU 76 11.870 -15.094 5.000 550 2HB GLU 76 1HB GLU 76 10.731 -16.150 4.165 551 1HG GLU 76 2HG GLU 76 10.365 -17.307 6.411 552 2HG GLU 76 1HG GLU 76 11.247 -15.965 7.139 553 HA PRO 77 HA PRO 77 11.759 -21.108 3.707 554 1HB PRO 77 2HB PRO 77 12.213 -22.453 6.216 555 2HB PRO 77 1HB PRO 77 13.161 -22.556 4.732 556 1HG PRO 77 2HG PRO 77 13.908 -21.294 7.173 557 2HG PRO 77 1HG PRO 77 14.804 -21.304 5.652 558 1HD PRO 77 2HD PRO 77 13.345 -19.105 6.879 559 2HD PRO 77 1HD PRO 77 14.378 -19.073 5.428 560 H ASN 78 H ASN 78 9.903 -19.180 4.865 561 HA ASN 78 HA ASN 78 7.827 -21.091 5.790 562 1HB ASN 78 2HB ASN 78 8.402 -18.468 7.205 563 2HB ASN 78 1HB ASN 78 7.150 -19.636 7.629 564 1HD2 ASN 78 1HD2 ASN 78 10.028 -18.637 8.764 565 2HD2 ASN 78 2HD2 ASN 78 10.665 -20.098 9.349 566 H GLY 79 H GLY 79 8.436 -17.628 5.096 567 1HA GLY 79 2HA GLY 79 7.402 -16.339 3.375 568 2HA GLY 79 1HA GLY 79 6.318 -17.691 3.044 569 H GLU 80 H GLU 80 7.032 -15.595 5.866 570 HA GLU 80 HA GLU 80 4.187 -14.810 5.958 571 1HB GLU 80 2HB GLU 80 5.561 -16.503 8.042 572 2HB GLU 80 1HB GLU 80 4.240 -15.425 8.492 573 1HG GLU 80 2HG GLU 80 2.829 -16.514 6.720 574 2HG GLU 80 1HG GLU 80 4.135 -17.673 6.464 575 H GLY 81 H GLY 81 6.870 -13.516 5.580 576 1HA GLY 81 2HA GLY 81 7.356 -11.978 8.012 577 2HA GLY 81 1HA GLY 81 8.089 -11.681 6.434 578 H TRP 82 H TRP 82 6.488 -10.826 4.749 579 HA TRP 82 HA TRP 82 5.287 -8.881 4.150 580 1HB TRP 82 2HB TRP 82 3.239 -9.793 6.154 581 2HB TRP 82 1HB TRP 82 2.997 -9.172 4.522 582 HD1 TRP 82 HD TRP 82 5.370 -11.249 3.388 583 HE1 TRP 82 1HE TRP 82 4.631 -13.675 2.936 584 HE3 TRP 82 3HE TRP 82 1.115 -11.412 6.207 585 HZ2 TRP 82 2HZ TRP 82 2.515 -15.450 3.672 586 HZ3 TRP 82 3HZ TRP 82 -0.243 -13.481 6.312 587 HH2 TRP 82 HH TRP 82 0.451 -15.500 5.049 588 H GLU 83 H GLU 83 6.530 -7.128 5.069 589 HA GLU 83 HA GLU 83 5.440 -6.173 7.711 590 1HB GLU 83 2HB GLU 83 8.256 -5.943 6.620 591 2HB GLU 83 1HB GLU 83 7.674 -5.046 8.019 592 1HG GLU 83 2HG GLU 83 7.243 -7.061 9.251 593 2HG GLU 83 1HG GLU 83 7.519 -8.062 7.826 594 H TRP 84 H TRP 84 4.921 -3.978 7.834 595 HA TRP 84 HA TRP 84 4.492 -2.647 5.287 596 1HB TRP 84 2HB TRP 84 4.107 -1.160 7.829 597 2HB TRP 84 1HB TRP 84 3.040 -1.282 6.431 598 HD1 TRP 84 HD TRP 84 4.245 -3.428 9.400 599 HE1 TRP 84 1HE TRP 84 2.362 -5.062 10.031 600 HE3 TRP 84 3HE TRP 84 0.867 -2.328 5.742 601 HZ2 TRP 84 2HZ TRP 84 -0.237 -5.816 9.104 602 HZ3 TRP 84 3HZ TRP 84 -1.305 -3.520 5.636 603 HH2 TRP 84 HH TRP 84 -1.861 -5.259 7.314 604 H SER 85 H SER 85 5.828 -1.134 4.398 605 HA SER 85 HA SER 85 8.301 -0.474 5.838 606 1HB SER 85 2HB SER 85 7.289 0.362 3.102 607 2HB SER 85 1HB SER 85 8.885 0.752 3.740 608 HG SER 85 HG SER 85 9.091 -1.104 2.551 609 H SER 86 H SER 86 5.250 0.622 5.968 610 HA SER 86 HA SER 86 6.117 3.364 6.735 611 1HB SER 86 2HB SER 86 3.414 2.885 5.527 612 2HB SER 86 1HB SER 86 4.383 4.355 5.536 613 HG SER 86 HG SER 86 4.847 3.680 3.582 614 H SER 87 H SER 87 4.843 0.497 7.859 615 HA SER 87 HA SER 87 3.161 1.992 9.858 616 1HB SER 87 2HB SER 87 1.498 0.467 9.691 617 2HB SER 87 1HB SER 87 2.229 0.077 8.139 618 HG SER 87 HG SER 87 3.613 -1.370 9.529 619 H ASP 88 H ASP 88 5.031 -1.049 9.504 620 HA ASP 88 HA ASP 88 6.923 -0.891 11.425 621 1HB ASP 88 2HB ASP 88 4.240 -0.959 12.770 622 2HB ASP 88 1HB ASP 88 5.532 -1.912 13.491 623 H VAL 89 H VAL 89 4.677 -3.186 12.653 624 HA VAL 89 HA VAL 89 5.959 -5.330 10.993 625 HB VAL 89 HB VAL 89 6.675 -5.395 13.352 626 1HG1 VAL 89 1HG1 VAL 89 3.738 -5.803 13.982 627 2HG1 VAL 89 2HG1 VAL 89 4.600 -4.285 14.237 628 3HG1 VAL 89 3HG1 VAL 89 5.067 -5.727 15.138 629 1HG2 VAL 89 1HG2 VAL 89 6.148 -7.501 11.951 630 2HG2 VAL 89 2HG2 VAL 89 4.683 -7.628 12.924 631 3HG2 VAL 89 3HG2 VAL 89 6.265 -7.708 13.697 632 H MET 90 H MET 90 4.577 -7.297 10.769 633 HA MET 90 HA MET 90 1.990 -6.647 9.754 634 1HB MET 90 2HB MET 90 3.523 -8.675 9.231 635 2HB MET 90 1HB MET 90 2.772 -9.419 10.641 636 1HG MET 90 2HG MET 90 1.184 -8.244 8.345 637 2HG MET 90 1HG MET 90 1.641 -9.945 8.437 638 1HE MET 90 1HE MET 90 0.106 -11.587 9.171 639 2HE MET 90 2HE MET 90 -0.617 -11.592 10.777 640 3HE MET 90 3HE MET 90 1.129 -11.437 10.606 641 H ASN 91 H ASN 91 0.921 -5.518 11.545 642 HA ASN 91 HA ASN 91 0.162 -7.293 13.826 643 1HB ASN 91 2HB ASN 91 0.963 -4.688 13.901 644 2HB ASN 91 1HB ASN 91 -0.783 -4.472 13.771 645 1HD2 ASN 91 1HD2 ASN 91 1.171 -4.149 16.144 646 2HD2 ASN 91 2HD2 ASN 91 0.457 -5.066 17.382 647 H TYR 92 H TYR 92 -0.875 -6.252 10.817 648 HA TYR 92 HA TYR 92 -3.674 -7.024 11.468 649 1HB TYR 92 2HB TYR 92 -3.574 -4.589 11.094 650 2HB TYR 92 1HB TYR 92 -2.818 -4.866 9.525 651 HD1 TYR 92 1HD TYR 92 -5.755 -6.331 11.379 652 HD2 TYR 92 2HD TYR 92 -4.288 -4.566 7.744 653 HE1 TYR 92 1HE TYR 92 -7.986 -6.608 10.342 654 HE2 TYR 92 2HE TYR 92 -6.527 -4.844 6.711 655 HH TYR 92 HH TYR 92 -8.688 -5.325 7.117 656 H PHE 93 H PHE 93 -4.776 -8.132 9.687 657 HA PHE 93 HA PHE 93 -2.959 -9.044 7.496 658 1HB PHE 93 2HB PHE 93 -4.095 -11.336 7.808 659 2HB PHE 93 1HB PHE 93 -2.874 -10.877 8.993 660 HD1 PHE 93 1HD PHE 93 -3.462 -10.368 11.281 661 HD2 PHE 93 2HD PHE 93 -6.507 -11.205 8.367 662 HE1 PHE 93 1HE PHE 93 -5.142 -10.574 13.094 663 HE2 PHE 93 2HE PHE 93 -8.185 -11.410 10.181 664 HZ PHE 93 HZ PHE 93 -7.503 -11.096 12.544 665 H ALA 94 H ALA 94 -3.955 -9.200 5.509 666 HA ALA 94 HA ALA 94 -6.805 -9.554 5.191 667 1HB ALA 94 1HB ALA 94 -6.155 -6.916 4.062 668 2HB ALA 94 2HB ALA 94 -6.097 -6.955 5.822 669 3HB ALA 94 3HB ALA 94 -7.572 -7.426 4.980 670 H TRP 95 H TRP 95 -4.038 -10.357 4.149 671 HA TRP 95 HA TRP 95 -3.777 -9.508 1.437 672 1HB TRP 95 2HB TRP 95 -2.696 -11.965 1.309 673 2HB TRP 95 1HB TRP 95 -1.873 -10.628 2.110 674 HD1 TRP 95 HD TRP 95 -1.537 -10.756 4.670 675 HE1 TRP 95 1HE TRP 95 -2.067 -12.533 6.463 676 HE3 TRP 95 3HE TRP 95 -4.510 -13.893 1.950 677 HZ2 TRP 95 2HZ TRP 95 -3.555 -14.965 6.708 678 HZ3 TRP 95 3HZ TRP 95 -5.469 -15.929 2.987 679 HH2 TRP 95 HH TRP 95 -4.995 -16.469 5.360 680 H GLU 96 H GLU 96 -4.365 -10.696 -0.515 681 HA GLU 96 HA GLU 96 -7.084 -11.608 -0.504 682 1HB GLU 96 2HB GLU 96 -5.840 -10.578 -2.464 683 2HB GLU 96 1HB GLU 96 -5.030 -12.132 -2.667 684 1HG GLU 96 2HG GLU 96 -7.085 -13.253 -3.134 685 2HG GLU 96 1HG GLU 96 -8.043 -11.878 -2.586 686 H ARG 97 H ARG 97 -4.025 -13.408 -1.013 687 HA ARG 97 HA ARG 97 -5.327 -15.794 0.183 688 1HB ARG 97 2HB ARG 97 -5.645 -15.906 -2.309 689 2HB ARG 97 1HB ARG 97 -3.890 -15.897 -2.487 690 1HG ARG 97 2HG ARG 97 -3.709 -17.957 -1.188 691 2HG ARG 97 1HG ARG 97 -5.448 -17.948 -0.886 692 1HD ARG 97 2HD ARG 97 -4.154 -18.132 -3.623 693 2HD ARG 97 1HD ARG 97 -4.856 -19.485 -2.739 694 HE ARG 97 HE ARG 97 -6.343 -17.415 -4.164 695 1HH1 ARG 97 1HH1 ARG 97 -6.335 -19.538 -1.453 696 2HH1 ARG 97 2HH1 ARG 97 -8.043 -19.826 -1.503 697 1HH2 ARG 97 1HH2 ARG 97 -8.557 -17.866 -4.318 698 2HH2 ARG 97 2HH2 ARG 97 -9.301 -18.879 -3.125 699 H ASN 98 H ASN 98 -3.748 -17.392 0.894 700 HA ASN 98 HA ASN 98 -1.432 -16.309 2.093 701 1HB ASN 98 2HB ASN 98 -1.819 -19.202 1.288 702 2HB ASN 98 1HB ASN 98 -0.802 -18.590 2.592 703 1HD2 ASN 98 1HD2 ASN 98 -3.885 -19.844 1.925 704 2HD2 ASN 98 2HD2 ASN 98 -4.670 -19.334 3.341 705 HA PRO 99 HA PRO 99 0.928 -15.978 -1.774 706 1HB PRO 99 2HB PRO 99 3.252 -15.252 -0.234 707 2HB PRO 99 1HB PRO 99 2.226 -14.211 -1.225 708 1HG PRO 99 2HG PRO 99 2.400 -14.298 1.630 709 2HG PRO 99 1HG PRO 99 1.349 -13.282 0.640 710 1HD PRO 99 2HD PRO 99 0.608 -15.548 2.275 711 2HD PRO 99 1HD PRO 99 -0.455 -14.500 1.300 712 H SER 100 H SER 100 1.401 -18.087 0.854 713 HA SER 100 HA SER 100 3.868 -19.327 -0.067 714 1HB SER 100 2HB SER 100 3.541 -20.887 1.701 715 2HB SER 100 1HB SER 100 2.923 -19.357 2.317 716 HG SER 100 HG SER 100 0.972 -20.582 0.992 717 H THR 101 H THR 101 0.662 -19.431 -1.168 718 HA THR 101 HA THR 101 0.982 -22.184 -2.273 719 HB THR 101 HB THR 101 -1.157 -21.416 -1.062 720 HG1 THR 101 1HG THR 101 -2.340 -22.265 -3.152 721 1HG2 THR 101 1HG2 THR 101 -1.896 -20.203 -3.708 722 2HG2 THR 101 2HG2 THR 101 -1.089 -19.214 -2.493 723 3HG2 THR 101 3HG2 THR 101 -2.641 -19.964 -2.127 724 H ILE 102 H ILE 102 1.796 -19.128 -3.156 725 HA ILE 102 HA ILE 102 1.085 -19.532 -6.032 726 HB ILE 102 HB ILE 102 1.989 -17.069 -4.514 727 1HG1 ILE 102 2HG1 ILE 102 -0.584 -17.578 -6.029 728 2HG1 ILE 102 1HG1 ILE 102 -0.415 -17.908 -4.304 729 1HG2 ILE 102 1HG2 ILE 102 1.473 -15.946 -6.755 730 2HG2 ILE 102 2HG2 ILE 102 1.522 -17.561 -7.463 731 3HG2 ILE 102 3HG2 ILE 102 2.960 -16.892 -6.691 732 1HD1 ILE 102 1HD1 ILE 102 -0.075 -15.232 -5.686 733 2HD1 ILE 102 2HD1 ILE 102 0.316 -15.521 -3.990 734 3HD1 ILE 102 3HD1 ILE 102 -1.347 -15.687 -4.552 735 H SER 103 H SER 103 2.785 -19.223 -7.623 736 HA SER 103 HA SER 103 5.290 -20.438 -6.846 737 1HB SER 103 2HB SER 103 4.677 -18.959 -9.418 738 2HB SER 103 1HB SER 103 5.928 -20.172 -9.163 739 HG SER 103 HG SER 103 3.234 -20.458 -9.616 740 H SER 104 H SER 104 6.212 -19.041 -5.259 741 HA SER 104 HA SER 104 7.377 -17.151 -4.468 742 1HB SER 104 2HB SER 104 9.044 -16.292 -6.172 743 2HB SER 104 1HB SER 104 9.094 -18.030 -5.893 744 HG SER 104 HG SER 104 9.080 -17.551 -8.116 745 HA PRO 105 HA PRO 105 4.332 -14.135 -6.223 746 1HB PRO 105 2HB PRO 105 4.143 -13.011 -3.579 747 2HB PRO 105 1HB PRO 105 2.927 -13.943 -4.457 748 1HG PRO 105 2HG PRO 105 4.403 -14.774 -2.181 749 2HG PRO 105 1HG PRO 105 3.305 -15.755 -3.155 750 1HD PRO 105 2HD PRO 105 6.229 -15.835 -3.050 751 2HD PRO 105 1HD PRO 105 5.111 -16.979 -3.832 752 H GLY 106 H GLY 106 4.399 -11.654 -6.065 753 1HA GLY 106 2HA GLY 106 7.092 -10.715 -6.445 754 2HA GLY 106 1HA GLY 106 5.661 -9.687 -6.333 755 H HIS 107 H HIS 107 8.067 -8.908 -5.099 756 HA HIS 107 HA HIS 107 7.731 -9.585 -2.227 757 1HB HIS 107 2HB HIS 107 9.811 -7.675 -3.251 758 2HB HIS 107 1HB HIS 107 9.896 -8.787 -1.887 759 HD1 HIS 107 1HD HIS 107 10.474 -11.260 -2.384 760 HD2 HIS 107 2HD HIS 107 10.362 -8.875 -5.788 761 HE1 HIS 107 1HE HIS 107 11.502 -12.607 -4.260 762 H CYS 108 H CYS 108 5.761 -7.921 -3.707 763 HA CYS 108 HA CYS 108 5.704 -5.683 -1.787 764 1HB CYS 108 2HB CYS 108 5.863 -5.316 -4.778 765 2HB CYS 108 1HB CYS 108 5.165 -4.089 -3.722 766 H ALA 109 H ALA 109 3.575 -5.002 -1.359 767 HA ALA 109 HA ALA 109 1.459 -6.632 -2.704 768 1HB ALA 109 1HB ALA 109 2.029 -6.470 -0.032 769 2HB ALA 109 2HB ALA 109 0.455 -6.919 -0.685 770 3HB ALA 109 3HB ALA 109 0.758 -5.257 -0.188 771 H SER 110 H SER 110 -0.443 -5.646 -3.366 772 HA SER 110 HA SER 110 -0.608 -2.677 -3.268 773 1HB SER 110 2HB SER 110 -1.458 -3.773 -5.848 774 2HB SER 110 1HB SER 110 -0.376 -2.425 -5.514 775 HG SER 110 HG SER 110 1.071 -3.792 -6.216 776 H LEU 111 H LEU 111 -2.879 -1.969 -3.899 777 HA LEU 111 HA LEU 111 -4.826 -3.844 -2.720 778 1HB LEU 111 2HB LEU 111 -5.114 -1.010 -3.764 779 2HB LEU 111 1HB LEU 111 -6.411 -1.922 -3.005 780 HG LEU 111 HG LEU 111 -3.954 -1.928 -1.394 781 1HD1 LEU 111 1HD1 LEU 111 -3.579 0.292 -2.231 782 2HD1 LEU 111 2HD1 LEU 111 -4.317 0.471 -0.641 783 3HD1 LEU 111 3HD1 LEU 111 -5.288 0.700 -2.095 784 1HD2 LEU 111 1HD2 LEU 111 -5.493 -1.531 0.382 785 2HD2 LEU 111 2HD2 LEU 111 -6.356 -2.569 -0.753 786 3HD2 LEU 111 3HD2 LEU 111 -6.692 -0.839 -0.710 787 H SER 112 H SER 112 -6.656 -4.623 -3.876 788 HA SER 112 HA SER 112 -6.391 -4.502 -6.863 789 1HB SER 112 2HB SER 112 -5.930 -6.739 -5.804 790 2HB SER 112 1HB SER 112 -7.581 -6.739 -5.192 791 HG SER 112 HG SER 112 -7.857 -6.165 -7.680 792 H ARG 113 H ARG 113 -8.017 -3.291 -7.720 793 HA ARG 113 HA ARG 113 -10.346 -2.456 -6.329 794 1HB ARG 113 2HB ARG 113 -9.686 -1.291 -8.336 795 2HB ARG 113 1HB ARG 113 -9.827 -2.759 -9.300 796 1HG ARG 113 2HG ARG 113 -12.220 -2.798 -9.030 797 2HG ARG 113 1HG ARG 113 -12.160 -1.506 -7.830 798 1HD ARG 113 2HD ARG 113 -11.175 -0.015 -9.616 799 2HD ARG 113 1HD ARG 113 -11.502 -1.299 -10.779 800 HE ARG 113 HE ARG 113 -13.837 -0.497 -9.202 801 1HH1 ARG 113 1HH1 ARG 113 -13.740 -1.582 -12.064 802 2HH1 ARG 113 2HH1 ARG 113 -14.204 -0.175 -12.963 803 1HH2 ARG 113 1HH2 ARG 113 -13.649 2.013 -10.331 804 2HH2 ARG 113 2HH2 ARG 113 -14.152 1.860 -11.982 805 H SER 114 H SER 114 -9.709 -5.385 -8.171 806 HA SER 114 HA SER 114 -12.348 -6.300 -8.583 807 1HB SER 114 2HB SER 114 -9.913 -7.958 -7.867 808 2HB SER 114 1HB SER 114 -11.384 -8.564 -8.619 809 HG SER 114 HG SER 114 -9.314 -7.036 -9.671 810 H THR 115 H THR 115 -10.603 -5.903 -5.636 811 HA THR 115 HA THR 115 -12.720 -7.447 -4.175 812 HB THR 115 HB THR 115 -11.100 -7.885 -2.438 813 HG1 THR 115 1HG THR 115 -10.053 -5.748 -2.924 814 1HG2 THR 115 1HG2 THR 115 -9.566 -8.317 -4.995 815 2HG2 THR 115 2HG2 THR 115 -11.054 -9.203 -4.666 816 3HG2 THR 115 3HG2 THR 115 -9.670 -9.370 -3.585 817 H ALA 116 H ALA 116 -12.709 -4.594 -5.077 818 HA ALA 116 HA ALA 116 -13.342 -2.518 -4.198 819 1HB ALA 116 1HB ALA 116 -14.879 -4.153 -2.898 820 2HB ALA 116 2HB ALA 116 -14.654 -2.534 -2.235 821 3HB ALA 116 3HB ALA 116 -13.773 -3.898 -1.549 822 H PHE 117 H PHE 117 -10.541 -3.572 -3.911 823 HA PHE 117 HA PHE 117 -8.529 -2.835 -2.970 824 1HB PHE 117 2HB PHE 117 -10.115 -0.547 -1.790 825 2HB PHE 117 1HB PHE 117 -8.417 -0.563 -2.259 826 HD1 PHE 117 1HD PHE 117 -11.855 -0.164 -3.404 827 HD2 PHE 117 2HD PHE 117 -7.781 -0.661 -4.672 828 HE1 PHE 117 1HE PHE 117 -12.470 0.602 -5.681 829 HE2 PHE 117 2HE PHE 117 -8.396 0.107 -6.947 830 HZ PHE 117 HZ PHE 117 -10.740 0.739 -7.451 831 H LEU 118 H LEU 118 -10.250 -4.653 -1.473 832 HA LEU 118 HA LEU 118 -9.540 -3.872 1.332 833 1HB LEU 118 2HB LEU 118 -11.689 -5.748 0.302 834 2HB LEU 118 1HB LEU 118 -11.310 -5.502 2.005 835 HG LEU 118 HG LEU 118 -12.200 -3.329 0.086 836 1HD1 LEU 118 1HD1 LEU 118 -13.684 -4.731 2.329 837 2HD1 LEU 118 2HD1 LEU 118 -14.000 -4.929 0.606 838 3HD1 LEU 118 3HD1 LEU 118 -14.301 -3.375 1.384 839 1HD2 LEU 118 1HD2 LEU 118 -12.576 -2.232 2.480 840 2HD2 LEU 118 2HD2 LEU 118 -10.996 -2.166 1.705 841 3HD2 LEU 118 3HD2 LEU 118 -11.312 -3.367 2.955 842 H ARG 119 H ARG 119 -8.483 -5.715 -1.179 843 HA ARG 119 HA ARG 119 -7.256 -7.718 0.679 844 1HB ARG 119 2HB ARG 119 -8.239 -8.204 -2.151 845 2HB ARG 119 1HB ARG 119 -7.370 -9.375 -1.162 846 1HG ARG 119 2HG ARG 119 -10.013 -8.106 -0.390 847 2HG ARG 119 1HG ARG 119 -9.849 -9.708 -1.111 848 1HD ARG 119 2HD ARG 119 -8.141 -10.067 0.896 849 2HD ARG 119 1HD ARG 119 -9.087 -8.775 1.634 850 HE ARG 119 HE ARG 119 -10.906 -10.694 0.603 851 1HH1 ARG 119 1HH2 ARG 119 -8.425 -12.151 1.921 852 2HH1 ARG 119 2HH2 ARG 119 -9.115 -12.520 3.466 853 1HH2 ARG 119 1HH1 ARG 119 -11.821 -10.389 3.062 854 2HH2 ARG 119 2HH1 ARG 119 -11.038 -11.522 4.112 855 H TRP 120 H TRP 120 -5.050 -7.993 0.391 856 HA TRP 120 HA TRP 120 -3.759 -6.142 -1.541 857 1HB TRP 120 2HB TRP 120 -2.337 -7.818 0.526 858 2HB TRP 120 1HB TRP 120 -1.814 -6.302 -0.206 859 HD1 TRP 120 HD TRP 120 -4.268 -4.481 0.199 860 HE1 TRP 120 1HE TRP 120 -5.023 -3.771 2.562 861 HE3 TRP 120 3HE TRP 120 -2.108 -8.186 2.960 862 HZ2 TRP 120 2HZ TRP 120 -4.741 -4.661 5.267 863 HZ3 TRP 120 3HZ TRP 120 -2.364 -8.236 5.422 864 HH2 TRP 120 HH TRP 120 -3.679 -6.482 6.580 865 H LYS 121 H LYS 121 -2.679 -6.879 -3.321 866 HA LYS 121 HA LYS 121 -2.270 -9.837 -3.574 867 1HB LYS 121 2HB LYS 121 -3.956 -8.989 -5.167 868 2HB LYS 121 1HB LYS 121 -2.795 -7.801 -5.762 869 1HG LYS 121 2HG LYS 121 -1.415 -9.451 -6.730 870 2HG LYS 121 1HG LYS 121 -2.127 -10.742 -5.762 871 1HD LYS 121 2HD LYS 121 -4.230 -10.556 -6.992 872 2HD LYS 121 1HD LYS 121 -3.600 -9.189 -7.910 873 1HE LYS 121 2HE LYS 121 -3.510 -11.576 -8.976 874 2HE LYS 121 1HE LYS 121 -2.107 -10.519 -9.124 875 1HZ LYS 121 1HZ LYS 121 -1.405 -12.686 -8.418 876 2HZ LYS 121 2HZ LYS 121 -2.497 -12.671 -7.116 877 3HZ LYS 121 3HZ LYS 121 -1.180 -11.597 -7.137 878 H ASP 122 H ASP 122 -0.306 -10.526 -4.498 879 HA ASP 122 HA ASP 122 1.912 -8.737 -3.971 880 1HB ASP 122 2HB ASP 122 1.908 -11.473 -5.275 881 2HB ASP 122 1HB ASP 122 3.325 -10.632 -4.642 882 H TYR 123 H TYR 123 3.359 -7.838 -5.510 883 HA TYR 123 HA TYR 123 2.838 -8.264 -8.379 884 1HB TYR 123 2HB TYR 123 1.763 -5.989 -6.925 885 2HB TYR 123 1HB TYR 123 2.903 -5.447 -8.154 886 HD1 TYR 123 1HD TYR 123 -0.450 -6.406 -7.565 887 HD2 TYR 123 2HD TYR 123 2.670 -6.652 -10.508 888 HE1 TYR 123 1HE TYR 123 -2.146 -6.810 -9.329 889 HE2 TYR 123 2HE TYR 123 0.974 -7.055 -12.272 890 HH TYR 123 HH TYR 123 -1.193 -7.166 -12.746 891 H ASN 124 H ASN 124 4.568 -7.364 -9.710 892 HA ASN 124 HA ASN 124 7.158 -7.636 -8.600 893 1HB ASN 124 2HB ASN 124 6.194 -6.219 -11.097 894 2HB ASN 124 1HB ASN 124 7.904 -6.399 -10.702 895 1HD2 ASN 124 1HD2 ASN 124 5.069 -8.082 -11.883 896 2HD2 ASN 124 2HD2 ASN 124 5.825 -9.577 -12.146 897 H CYS 125 H CYS 125 8.114 -6.343 -7.138 898 HA CYS 125 HA CYS 125 7.219 -3.888 -6.179 899 1HB CYS 125 2HB CYS 125 10.046 -4.952 -6.373 900 2HB CYS 125 1HB CYS 125 9.609 -3.516 -5.449 901 H ASN 126 H ASN 126 8.350 -4.389 -9.325 902 HA ASN 126 HA ASN 126 9.413 -1.612 -9.525 903 1HB ASN 126 2HB ASN 126 9.398 -3.773 -11.654 904 2HB ASN 126 1HB ASN 126 10.321 -2.270 -11.669 905 1HD2 ASN 126 1HD2 ASN 126 11.124 -2.351 -8.859 906 2HD2 ASN 126 2HD2 ASN 126 12.235 -3.622 -8.693 907 H VAL 127 H VAL 127 6.719 -3.619 -10.694 908 HA VAL 127 HA VAL 127 5.771 -1.884 -12.737 909 HB VAL 127 HB VAL 127 4.315 -3.675 -10.773 910 1HG1 VAL 127 1HG1 VAL 127 2.332 -3.320 -12.357 911 2HG1 VAL 127 2HG1 VAL 127 3.188 -1.895 -12.945 912 3HG1 VAL 127 3HG1 VAL 127 2.692 -1.991 -11.257 913 1HG2 VAL 127 1HG2 VAL 127 5.758 -4.569 -12.698 914 2HG2 VAL 127 2HG2 VAL 127 4.547 -3.884 -13.781 915 3HG2 VAL 127 3HG2 VAL 127 4.094 -5.147 -12.637 916 H ARG 128 H ARG 128 5.046 0.262 -12.564 917 HA ARG 128 HA ARG 128 4.892 1.350 -9.846 918 1HB ARG 128 2HB ARG 128 4.375 3.474 -11.382 919 2HB ARG 128 1HB ARG 128 6.013 2.869 -11.176 920 1HG ARG 128 2HG ARG 128 5.908 1.649 -13.246 921 2HG ARG 128 1HG ARG 128 4.181 1.965 -13.408 922 1HD ARG 128 2HD ARG 128 5.573 4.475 -13.109 923 2HD ARG 128 1HD ARG 128 6.321 3.543 -14.404 924 HE ARG 128 HE ARG 128 3.745 4.801 -14.544 925 1HH1 ARG 128 1HH2 ARG 128 5.460 3.958 -16.886 926 2HH1 ARG 128 2HH2 ARG 128 4.492 2.710 -17.595 927 1HH2 ARG 128 1HH1 ARG 128 2.482 2.312 -14.798 928 2HH2 ARG 128 2HH1 ARG 128 2.806 1.778 -16.413 929 H LEU 129 H LEU 129 2.986 2.457 -8.974 930 HA LEU 129 HA LEU 129 0.539 2.100 -10.665 931 1HB LEU 129 2HB LEU 129 1.086 0.785 -8.011 932 2HB LEU 129 1HB LEU 129 -0.563 1.183 -8.460 933 HG LEU 129 HG LEU 129 0.688 -0.113 -10.704 934 1HD1 LEU 129 1HD1 LEU 129 0.951 -1.555 -8.051 935 2HD1 LEU 129 2HD1 LEU 129 2.263 -1.120 -9.147 936 3HD1 LEU 129 3HD1 LEU 129 1.081 -2.338 -9.625 937 1HD2 LEU 129 1HD2 LEU 129 -1.143 -1.740 -10.292 938 2HD2 LEU 129 2HD2 LEU 129 -1.709 -0.070 -10.244 939 3HD2 LEU 129 3HD2 LEU 129 -1.457 -0.957 -8.741 940 HA PRO 130 HA PRO 130 -0.566 5.922 -8.692 941 1HB PRO 130 2HB PRO 130 -3.259 5.124 -7.999 942 2HB PRO 130 1HB PRO 130 -2.755 6.167 -9.333 943 1HG PRO 130 2HG PRO 130 -3.708 3.439 -9.453 944 2HG PRO 130 1HG PRO 130 -3.309 4.522 -10.789 945 1HD PRO 130 2HD PRO 130 -1.836 2.225 -9.949 946 2HD PRO 130 1HD PRO 130 -1.335 3.425 -11.166 947 H TYR 131 H TYR 131 -0.325 6.464 -6.369 948 HA TYR 131 HA TYR 131 -1.008 4.220 -4.509 949 1HB TYR 131 2HB TYR 131 1.199 4.386 -3.460 950 2HB TYR 131 1HB TYR 131 1.348 4.000 -5.173 951 HD1 TYR 131 1HD TYR 131 2.050 5.710 -6.807 952 HD2 TYR 131 2HD TYR 131 1.903 6.538 -2.597 953 HE1 TYR 131 1HE TYR 131 3.413 7.751 -7.160 954 HE2 TYR 131 2HE TYR 131 3.271 8.579 -2.952 955 HH TYR 131 HH TYR 131 4.489 9.740 -4.419 956 H VAL 132 H VAL 132 -0.327 4.928 -2.156 957 HA VAL 132 HA VAL 132 -1.158 7.785 -1.749 958 HB VAL 132 HB VAL 132 -2.054 5.357 -0.159 959 1HG1 VAL 132 1HG1 VAL 132 -1.693 7.336 1.279 960 2HG1 VAL 132 2HG1 VAL 132 -3.409 6.986 1.116 961 3HG1 VAL 132 3HG1 VAL 132 -2.689 8.304 0.195 962 1HG2 VAL 132 1HG2 VAL 132 -4.241 5.794 -1.034 963 2HG2 VAL 132 2HG2 VAL 132 -3.144 5.795 -2.413 964 3HG2 VAL 132 3HG2 VAL 132 -3.719 7.322 -1.744 965 H CYS 133 H CYS 133 -0.296 8.672 0.321 966 HA CYS 133 HA CYS 133 1.771 7.026 1.648 967 1HB CYS 133 2HB CYS 133 2.399 9.499 0.028 968 2HB CYS 133 1HB CYS 133 3.474 8.894 1.287 969 H LYS 134 H LYS 134 2.313 7.788 3.708 970 HA LYS 134 HA LYS 134 0.531 9.946 4.738 971 1HB LYS 134 2HB LYS 134 0.576 8.868 6.794 972 2HB LYS 134 1HB LYS 134 0.800 7.488 5.724 973 1HG LYS 134 2HG LYS 134 3.332 7.939 5.972 974 2HG LYS 134 1HG LYS 134 2.884 8.953 7.344 975 1HD LYS 134 2HD LYS 134 1.529 6.904 8.164 976 2HD LYS 134 1HD LYS 134 2.477 5.982 6.997 977 1HE LYS 134 2HE LYS 134 3.698 5.823 9.030 978 2HE LYS 134 1HE LYS 134 4.548 7.047 8.086 979 1HZ LYS 134 1HZ LYS 134 2.898 8.630 9.311 980 2HZ LYS 134 2HZ LYS 134 4.325 8.113 10.074 981 3HZ LYS 134 3HZ LYS 134 2.842 7.374 10.447 982 H PHE 135 H PHE 135 1.484 11.579 6.179 983 HA PHE 135 HA PHE 135 4.303 11.833 6.632 984 1HB PHE 135 2HB PHE 135 4.795 13.645 4.971 985 2HB PHE 135 1HB PHE 135 4.513 12.079 4.215 986 HD1 PHE 135 1HD PHE 135 2.471 11.632 2.942 987 HD2 PHE 135 2HD PHE 135 3.136 15.443 4.810 988 HE1 PHE 135 1HE PHE 135 0.610 12.603 1.624 989 HE2 PHE 135 2HE PHE 135 1.274 16.414 3.490 990 HZ PHE 135 HZ PHE 135 0.012 14.994 1.897 991 H THR 136 H THR 136 4.389 13.248 8.327 992 HA THR 136 HA THR 136 2.092 14.873 9.014 993 HB THR 136 HB THR 136 4.754 15.423 10.258 994 HG1 THR 136 1HG THR 136 5.034 13.315 10.286 995 1HG2 THR 136 1HG2 THR 136 2.017 14.805 11.403 996 2HG2 THR 136 2HG2 THR 136 2.624 16.427 11.075 997 3HG2 THR 136 3HG2 THR 136 3.407 15.421 12.294 998 H ASP 137 H ASP 137 2.512 17.306 9.546 999 HA ASP 137 HA ASP 137 4.452 18.747 7.976 1000 1HB ASP 137 2HB ASP 137 3.107 18.078 6.077 1001 2HB ASP 137 1HB ASP 137 1.624 18.560 6.900 Start of MODEL 3 1 1H ARG 1 1HT ARG 1 -4.080 19.267 9.840 2 2H ARG 1 2HT ARG 1 -4.198 20.859 10.419 3 3H ARG 1 3HT ARG 1 -2.672 20.155 10.167 4 HA ARG 1 HA ARG 1 -4.608 21.160 8.190 5 1HB ARG 1 2HB ARG 1 -2.797 22.641 8.881 6 2HB ARG 1 1HB ARG 1 -1.606 21.376 8.570 7 1HG ARG 1 2HG ARG 1 -1.993 21.445 6.220 8 2HG ARG 1 1HG ARG 1 -3.464 22.400 6.417 9 1HD ARG 1 2HD ARG 1 -2.238 24.341 7.059 10 2HD ARG 1 1HD ARG 1 -0.754 23.416 7.293 11 HE ARG 1 HE ARG 1 -0.344 23.642 4.988 12 1HH1 ARG 1 1HH2 ARG 1 -3.162 25.290 5.691 13 2HH1 ARG 1 2HH2 ARG 1 -3.835 25.196 4.097 14 1HH2 ARG 1 1HH1 ARG 1 -1.426 22.993 2.925 15 2HH2 ARG 1 2HH1 ARG 1 -2.850 23.895 2.531 16 H CYS 2 H CYS 2 -4.800 20.166 6.215 17 HA CYS 2 HA CYS 2 -2.861 18.115 5.417 18 1HB CYS 2 2HB CYS 2 -5.052 17.285 6.817 19 2HB CYS 2 1HB CYS 2 -5.666 17.199 5.168 20 HA PRO 3 HA PRO 3 -3.725 20.125 1.532 21 1HB PRO 3 2HB PRO 3 -3.152 17.750 0.012 22 2HB PRO 3 1HB PRO 3 -2.127 19.165 0.260 23 1HG PRO 3 2HG PRO 3 -1.852 16.534 1.415 24 2HG PRO 3 1HG PRO 3 -0.775 17.923 1.581 25 1HD PRO 3 2HD PRO 3 -2.481 16.820 3.588 26 2HD PRO 3 1HD PRO 3 -1.519 18.314 3.699 27 H LYS 4 H LYS 4 -5.224 19.930 -0.326 28 HA LYS 4 HA LYS 4 -7.773 18.879 0.420 29 1HB LYS 4 2HB LYS 4 -6.792 19.775 -2.304 30 2HB LYS 4 1HB LYS 4 -8.479 19.560 -1.836 31 1HG LYS 4 2HG LYS 4 -8.412 21.375 -0.316 32 2HG LYS 4 1HG LYS 4 -6.650 21.408 -0.300 33 1HD LYS 4 2HD LYS 4 -8.065 21.855 -2.908 34 2HD LYS 4 1HD LYS 4 -8.021 23.171 -1.737 35 1HE LYS 4 2HE LYS 4 -5.661 23.281 -1.769 36 2HE LYS 4 1HE LYS 4 -5.509 21.685 -2.504 37 1HZ LYS 4 1HZ LYS 4 -6.330 24.225 -3.751 38 2HZ LYS 4 2HZ LYS 4 -6.808 22.743 -4.430 39 3HZ LYS 4 3HZ LYS 4 -5.159 23.113 -4.268 40 H GLY 5 H GLY 5 -8.815 17.011 -0.280 41 1HA GLY 5 2HA GLY 5 -9.064 14.914 -1.351 42 2HA GLY 5 1HA GLY 5 -7.605 15.264 -2.288 43 H SER 6 H SER 6 -6.504 16.082 0.518 44 HA SER 6 HA SER 6 -5.400 13.373 1.082 45 1HB SER 6 2HB SER 6 -4.603 15.928 2.476 46 2HB SER 6 1HB SER 6 -3.651 14.465 2.248 47 HG SER 6 HG SER 6 -3.980 14.997 -0.101 48 H LYS 7 H LYS 7 -5.475 12.461 3.237 49 HA LYS 7 HA LYS 7 -7.404 13.759 5.108 50 1HB LYS 7 2HB LYS 7 -8.504 11.562 5.488 51 2HB LYS 7 1HB LYS 7 -8.716 12.134 3.835 52 1HG LYS 7 2HG LYS 7 -7.979 10.060 3.247 53 2HG LYS 7 1HG LYS 7 -6.381 10.710 3.603 54 1HD LYS 7 2HD LYS 7 -6.450 9.815 5.854 55 2HD LYS 7 1HD LYS 7 -8.133 9.330 5.658 56 1HE LYS 7 2HE LYS 7 -7.500 7.743 3.902 57 2HE LYS 7 1HE LYS 7 -5.818 8.255 4.021 58 1HZ LYS 7 1HZ LYS 7 -6.466 6.183 5.283 59 2HZ LYS 7 2HZ LYS 7 -7.314 7.203 6.346 60 3HZ LYS 7 3HZ LYS 7 -5.633 7.369 6.165 61 H ALA 8 H ALA 8 -6.880 13.460 7.265 62 HA ALA 8 HA ALA 8 -4.222 12.309 7.790 63 1HB ALA 8 1HB ALA 8 -6.198 13.775 9.558 64 2HB ALA 8 2HB ALA 8 -4.729 14.433 8.838 65 3HB ALA 8 3HB ALA 8 -4.619 13.208 10.102 66 H TYR 9 H TYR 9 -3.893 10.801 9.590 67 HA TYR 9 HA TYR 9 -6.076 9.326 10.754 68 1HB TYR 9 2HB TYR 9 -6.079 8.541 8.313 69 2HB TYR 9 1HB TYR 9 -4.520 7.792 8.662 70 HD1 TYR 9 1HD TYR 9 -8.116 7.831 9.580 71 HD2 TYR 9 2HD TYR 9 -4.356 5.795 9.980 72 HE1 TYR 9 1HE TYR 9 -9.276 5.894 10.606 73 HE2 TYR 9 2HE TYR 9 -5.514 3.857 11.008 74 HH TYR 9 HH TYR 9 -8.898 3.485 10.924 75 H GLY 10 H GLY 10 -5.259 8.383 12.588 76 1HA GLY 10 2HA GLY 10 -3.686 7.483 14.088 77 2HA GLY 10 1HA GLY 10 -2.649 7.151 12.700 78 H SER 11 H SER 11 -1.512 9.129 11.768 79 HA SER 11 HA SER 11 -1.259 11.538 13.295 80 1HB SER 11 2HB SER 11 -0.197 10.282 15.017 81 2HB SER 11 1HB SER 11 0.733 9.336 13.859 82 HG SER 11 HG SER 11 1.006 12.122 13.857 83 H HIS 12 H HIS 12 -1.388 10.692 10.504 84 HA HIS 12 HA HIS 12 0.940 12.195 9.518 85 1HB HIS 12 2HB HIS 12 0.285 9.413 8.499 86 2HB HIS 12 1HB HIS 12 1.562 10.467 7.899 87 HD1 HIS 12 1HD HIS 12 3.677 10.752 9.373 88 HD2 HIS 12 2HD HIS 12 0.841 8.169 11.000 89 HE1 HIS 12 1HE HIS 12 4.820 9.549 11.286 90 H CYS 13 H CYS 13 0.479 13.162 7.474 91 HA CYS 13 HA CYS 13 -2.392 13.235 6.804 92 1HB CYS 13 2HB CYS 13 -0.041 14.931 6.335 93 2HB CYS 13 1HB CYS 13 -1.056 14.769 4.902 94 H TYR 14 H TYR 14 -3.255 11.967 5.220 95 HA TYR 14 HA TYR 14 -1.358 10.476 3.486 96 1HB TYR 14 2HB TYR 14 -4.274 9.989 4.126 97 2HB TYR 14 1HB TYR 14 -3.307 8.985 3.047 98 HD1 TYR 14 1HD TYR 14 -3.301 10.385 6.522 99 HD2 TYR 14 2HD TYR 14 -2.084 7.185 3.929 100 HE1 TYR 14 1HE TYR 14 -2.437 9.128 8.474 101 HE2 TYR 14 2HE TYR 14 -1.221 5.931 5.887 102 HH TYR 14 HH TYR 14 -1.800 7.020 9.167 103 H ALA 15 H ALA 15 -1.270 10.868 1.322 104 HA ALA 15 HA ALA 15 -3.490 12.460 0.096 105 1HB ALA 15 1HB ALA 15 -0.500 12.815 -0.281 106 2HB ALA 15 2HB ALA 15 -1.627 13.981 0.417 107 3HB ALA 15 3HB ALA 15 -1.720 13.582 -1.299 108 H LEU 16 H LEU 16 -4.146 11.746 -1.899 109 HA LEU 16 HA LEU 16 -2.921 9.220 -2.872 110 1HB LEU 16 2HB LEU 16 -5.292 9.067 -2.579 111 2HB LEU 16 1HB LEU 16 -5.561 10.608 -3.390 112 HG LEU 16 HG LEU 16 -4.793 9.644 -5.514 113 1HD1 LEU 16 1HD1 LEU 16 -4.524 7.081 -5.523 114 2HD1 LEU 16 2HD1 LEU 16 -4.310 7.220 -3.780 115 3HD1 LEU 16 3HD1 LEU 16 -3.184 8.019 -4.872 116 1HD2 LEU 16 1HD2 LEU 16 -7.139 9.449 -5.179 117 2HD2 LEU 16 2HD2 LEU 16 -6.939 8.151 -4.003 118 3HD2 LEU 16 3HD2 LEU 16 -6.620 7.850 -5.711 119 H PHE 17 H PHE 17 -1.795 9.152 -4.789 120 HA PHE 17 HA PHE 17 -1.830 11.590 -6.513 121 1HB PHE 17 2HB PHE 17 0.454 9.815 -5.634 122 2HB PHE 17 1HB PHE 17 0.563 10.787 -7.102 123 HD1 PHE 17 1HD PHE 17 0.533 10.828 -3.450 124 HD2 PHE 17 2HD PHE 17 0.408 13.269 -6.983 125 HE1 PHE 17 1HE PHE 17 1.093 12.826 -2.091 126 HE2 PHE 17 2HE PHE 17 0.968 15.266 -5.623 127 HZ PHE 17 HZ PHE 17 1.310 15.044 -3.177 128 H LEU 18 H LEU 18 -2.768 11.070 -8.410 129 HA LEU 18 HA LEU 18 -3.186 8.322 -9.222 130 1HB LEU 18 2HB LEU 18 -3.447 10.741 -11.020 131 2HB LEU 18 1HB LEU 18 -4.343 9.223 -11.097 132 HG LEU 18 HG LEU 18 -4.604 11.436 -9.054 133 1HD1 LEU 18 1HD1 LEU 18 -6.549 10.017 -10.899 134 2HD1 LEU 18 2HD1 LEU 18 -5.951 11.665 -11.083 135 3HD1 LEU 18 3HD1 LEU 18 -6.998 11.253 -9.725 136 1HD2 LEU 18 1HD2 LEU 18 -6.310 9.809 -8.008 137 2HD2 LEU 18 2HD2 LEU 18 -4.607 9.473 -7.709 138 3HD2 LEU 18 3HD2 LEU 18 -5.484 8.547 -8.919 139 H SER 19 H SER 19 -0.445 9.819 -8.945 140 HA SER 19 HA SER 19 0.619 9.332 -11.661 141 1HB SER 19 2HB SER 19 2.692 9.895 -9.755 142 2HB SER 19 1HB SER 19 2.141 10.871 -11.112 143 HG SER 19 HG SER 19 0.472 11.658 -9.753 144 HA PRO 20 HA PRO 20 1.601 5.115 -10.424 145 1HB PRO 20 2HB PRO 20 3.265 4.855 -12.750 146 2HB PRO 20 1HB PRO 20 1.638 4.222 -12.500 147 1HG PRO 20 2HG PRO 20 2.452 6.393 -14.194 148 2HG PRO 20 1HG PRO 20 0.826 5.746 -13.958 149 1HD PRO 20 2HD PRO 20 1.888 8.250 -13.034 150 2HD PRO 20 1HD PRO 20 0.248 7.594 -12.789 151 H LYS 21 H LYS 21 3.458 4.083 -9.480 152 HA LYS 21 HA LYS 21 6.132 5.191 -9.896 153 1HB LYS 21 2HB LYS 21 4.592 5.749 -7.361 154 2HB LYS 21 1HB LYS 21 6.353 5.668 -7.351 155 1HG LYS 21 2HG LYS 21 6.170 7.347 -9.368 156 2HG LYS 21 1HG LYS 21 4.555 7.649 -8.726 157 1HD LYS 21 2HD LYS 21 5.524 8.184 -6.523 158 2HD LYS 21 1HD LYS 21 7.141 7.883 -7.161 159 1HE LYS 21 2HE LYS 21 6.855 9.695 -8.794 160 2HE LYS 21 1HE LYS 21 5.217 9.982 -8.207 161 1HZ LYS 21 1HZ LYS 21 6.952 9.988 -6.014 162 2HZ LYS 21 2HZ LYS 21 6.041 11.280 -6.638 163 3HZ LYS 21 3HZ LYS 21 7.619 11.000 -7.200 164 H SER 22 H SER 22 7.530 3.491 -9.673 165 HA SER 22 HA SER 22 6.797 0.871 -9.034 166 1HB SER 22 2HB SER 22 9.456 2.261 -8.654 167 2HB SER 22 1HB SER 22 9.235 0.522 -8.477 168 HG SER 22 HG SER 22 9.693 0.674 -10.564 169 H TRP 23 H TRP 23 6.868 -0.378 -7.075 170 HA TRP 23 HA TRP 23 6.011 0.950 -4.713 171 1HB TRP 23 2HB TRP 23 5.678 -1.475 -5.049 172 2HB TRP 23 1HB TRP 23 7.419 -1.731 -4.939 173 HD1 TRP 23 HD TRP 23 4.346 -1.266 -2.852 174 HE1 TRP 23 1HE TRP 23 4.968 -1.320 -0.351 175 HE3 TRP 23 3HE TRP 23 9.437 -1.058 -3.203 176 HZ2 TRP 23 2HZ TRP 23 7.314 -1.280 1.284 177 HZ3 TRP 23 3HZ TRP 23 10.838 -1.068 -1.161 178 HH2 TRP 23 HH TRP 23 9.785 -1.179 1.081 179 H THR 24 H THR 24 9.124 0.465 -6.073 180 HA THR 24 HA THR 24 10.535 1.108 -3.553 181 HB THR 24 HB THR 24 11.361 -0.584 -5.288 182 HG1 THR 24 1HG THR 24 12.607 0.857 -3.660 183 1HG2 THR 24 1HG2 THR 24 10.878 1.331 -7.110 184 2HG2 THR 24 2HG2 THR 24 12.113 0.098 -7.352 185 3HG2 THR 24 3HG2 THR 24 12.567 1.701 -6.771 186 H ASP 25 H ASP 25 9.267 2.639 -6.319 187 HA ASP 25 HA ASP 25 10.991 5.020 -6.132 188 1HB ASP 25 2HB ASP 25 10.288 4.370 -8.354 189 2HB ASP 25 1HB ASP 25 8.595 4.350 -7.862 190 H ALA 26 H ALA 26 7.617 4.087 -5.447 191 HA ALA 26 HA ALA 26 6.922 6.741 -4.487 192 1HB ALA 26 1HB ALA 26 4.834 5.761 -3.902 193 2HB ALA 26 2HB ALA 26 5.540 4.148 -3.792 194 3HB ALA 26 3HB ALA 26 5.329 4.911 -5.363 195 H ASP 27 H ASP 27 8.241 3.767 -3.234 196 HA ASP 27 HA ASP 27 7.922 4.274 -0.446 197 1HB ASP 27 2HB ASP 27 8.567 2.085 -1.227 198 2HB ASP 27 1HB ASP 27 10.004 2.739 -2.015 199 H LEU 28 H LEU 28 10.517 5.117 -2.732 200 HA LEU 28 HA LEU 28 12.136 6.431 -0.714 201 1HB LEU 28 2HB LEU 28 12.234 6.015 -3.646 202 2HB LEU 28 1HB LEU 28 13.001 7.499 -3.086 203 HG LEU 28 HG LEU 28 14.282 6.125 -1.410 204 1HD1 LEU 28 1HD1 LEU 28 13.391 3.748 -3.053 205 2HD1 LEU 28 2HD1 LEU 28 12.571 4.206 -1.561 206 3HD1 LEU 28 3HD1 LEU 28 14.274 3.748 -1.526 207 1HD2 LEU 28 1HD2 LEU 28 15.849 5.196 -3.085 208 2HD2 LEU 28 2HD2 LEU 28 15.285 6.798 -3.560 209 3HD2 LEU 28 3HD2 LEU 28 14.610 5.361 -4.329 210 H ALA 29 H ALA 29 9.918 7.608 -3.256 211 HA ALA 29 HA ALA 29 10.290 10.390 -2.672 212 1HB ALA 29 1HB ALA 29 7.890 8.963 -3.854 213 2HB ALA 29 2HB ALA 29 9.249 9.631 -4.758 214 3HB ALA 29 3HB ALA 29 8.155 10.708 -3.890 215 H CYS 30 H CYS 30 7.634 8.169 -1.666 216 HA CYS 30 HA CYS 30 6.394 10.091 0.043 217 1HB CYS 30 2HB CYS 30 5.345 7.939 -0.722 218 2HB CYS 30 1HB CYS 30 6.404 7.080 0.395 219 H GLN 31 H GLN 31 9.282 8.242 0.336 220 HA GLN 31 HA GLN 31 9.418 8.438 3.258 221 1HB GLN 31 2HB GLN 31 10.570 6.566 2.239 222 2HB GLN 31 1HB GLN 31 11.459 7.641 1.162 223 1HG GLN 31 2HG GLN 31 12.742 8.543 2.951 224 2HG GLN 31 1HG GLN 31 11.663 7.862 4.168 225 1HE2 GLN 31 1HE2 GLN 31 11.902 5.597 4.704 226 2HE2 GLN 31 2HE2 GLN 31 13.207 4.671 4.142 227 H LYS 32 H LYS 32 10.510 10.191 0.438 228 HA LYS 32 HA LYS 32 12.380 11.907 1.728 229 1HB LYS 32 2HB LYS 32 12.441 11.857 -0.648 230 2HB LYS 32 1HB LYS 32 10.710 12.166 -0.774 231 1HG LYS 32 2HG LYS 32 10.940 14.429 -0.178 232 2HG LYS 32 1HG LYS 32 12.538 14.180 0.522 233 1HD LYS 32 2HD LYS 32 11.930 13.831 -2.427 234 2HD LYS 32 1HD LYS 32 12.548 15.329 -1.734 235 1HE LYS 32 2HE LYS 32 14.356 13.615 -0.696 236 2HE LYS 32 1HE LYS 32 13.937 12.728 -2.162 237 1HZ LYS 32 1HZ LYS 32 14.221 15.073 -3.236 238 2HZ LYS 32 2HZ LYS 32 15.573 14.087 -2.937 239 3HZ LYS 32 3HZ LYS 32 15.194 15.359 -1.875 240 H ARG 33 H ARG 33 9.142 11.532 2.279 241 HA ARG 33 HA ARG 33 8.549 14.374 2.820 242 1HB ARG 33 2HB ARG 33 7.005 11.845 2.623 243 2HB ARG 33 1HB ARG 33 6.385 13.036 3.759 244 1HG ARG 33 2HG ARG 33 5.355 13.417 1.589 245 2HG ARG 33 1HG ARG 33 6.463 14.746 1.921 246 1HD ARG 33 2HD ARG 33 8.216 13.544 0.586 247 2HD ARG 33 1HD ARG 33 7.001 12.339 0.158 248 HE ARG 33 HE ARG 33 5.990 13.926 -1.295 249 1HH1 ARG 33 1HH1 ARG 33 8.891 14.841 -1.588 250 2HH1 ARG 33 2HH1 ARG 33 8.716 16.556 -1.411 251 1HH2 ARG 33 1HH2 ARG 33 5.531 16.356 -0.054 252 2HH2 ARG 33 2HH2 ARG 33 6.813 17.413 -0.542 253 HA PRO 34 HA PRO 34 9.534 14.546 7.094 254 1HB PRO 34 2HB PRO 34 6.837 14.953 8.056 255 2HB PRO 34 1HB PRO 34 8.126 16.146 7.866 256 1HG PRO 34 2HG PRO 34 5.796 15.680 6.168 257 2HG PRO 34 1HG PRO 34 6.919 17.044 6.166 258 1HD PRO 34 2HD PRO 34 6.762 15.106 4.167 259 2HD PRO 34 1HD PRO 34 8.172 16.152 4.451 260 H SER 35 H SER 35 9.973 12.203 6.990 261 HA SER 35 HA SER 35 9.788 10.062 7.895 262 1HB SER 35 2HB SER 35 7.415 10.931 9.521 263 2HB SER 35 1HB SER 35 8.708 9.817 9.955 264 HG SER 35 HG SER 35 9.784 12.180 9.409 265 H GLY 36 H GLY 36 7.947 11.283 5.694 266 1HA GLY 36 2HA GLY 36 5.521 9.728 5.801 267 2HA GLY 36 1HA GLY 36 6.170 10.510 4.360 268 H ASN 37 H ASN 37 5.184 8.272 3.645 269 HA ASN 37 HA ASN 37 7.084 6.653 2.469 270 1HB ASN 37 2HB ASN 37 6.804 6.041 5.359 271 2HB ASN 37 1HB ASN 37 6.667 4.641 4.300 272 1HD2 ASN 37 1HD2 ASN 37 8.932 6.515 5.941 273 2HD2 ASN 37 2HD2 ASN 37 10.304 6.115 5.026 274 H LEU 38 H LEU 38 6.011 5.034 1.226 275 HA LEU 38 HA LEU 38 3.498 5.109 0.403 276 1HB LEU 38 2HB LEU 38 4.954 2.610 1.255 277 2HB LEU 38 1HB LEU 38 3.394 2.541 0.440 278 HG LEU 38 HG LEU 38 5.719 4.118 -0.662 279 1HD1 LEU 38 1HD1 LEU 38 6.273 2.245 -2.081 280 2HD1 LEU 38 2HD1 LEU 38 4.918 1.307 -1.455 281 3HD1 LEU 38 3HD1 LEU 38 6.292 1.675 -0.412 282 1HD2 LEU 38 1HD2 LEU 38 4.136 4.779 -2.102 283 2HD2 LEU 38 2HD2 LEU 38 2.951 3.694 -1.389 284 3HD2 LEU 38 3HD2 LEU 38 4.011 3.116 -2.670 285 H VAL 39 H VAL 39 1.432 4.950 1.118 286 HA VAL 39 HA VAL 39 0.573 5.420 3.644 287 HB VAL 39 HB VAL 39 -1.063 5.387 1.963 288 1HG1 VAL 39 1HG1 VAL 39 -0.030 3.868 0.397 289 2HG1 VAL 39 2HG1 VAL 39 -1.645 3.251 0.749 290 3HG1 VAL 39 3HG1 VAL 39 -0.235 2.510 1.505 291 1HG2 VAL 39 1HG2 VAL 39 -1.731 4.402 4.260 292 2HG2 VAL 39 2HG2 VAL 39 -1.740 2.841 3.442 293 3HG2 VAL 39 3HG2 VAL 39 -2.830 4.123 2.911 294 H SER 40 H SER 40 -0.195 4.229 5.424 295 HA SER 40 HA SER 40 1.080 1.541 5.767 296 1HB SER 40 2HB SER 40 1.972 2.670 7.552 297 2HB SER 40 1HB SER 40 0.723 3.908 7.511 298 HG SER 40 HG SER 40 -0.655 2.514 8.575 299 H VAL 41 H VAL 41 -0.208 -0.046 7.051 300 HA VAL 41 HA VAL 41 -3.091 0.517 7.346 301 HB VAL 41 HB VAL 41 -2.529 -1.977 5.817 302 1HG1 VAL 41 1HG1 VAL 41 -4.611 0.146 5.329 303 2HG1 VAL 41 2HG1 VAL 41 -4.798 -1.089 6.575 304 3HG1 VAL 41 3HG1 VAL 41 -4.662 -1.560 4.881 305 1HG2 VAL 41 1HG2 VAL 41 -2.498 0.734 4.460 306 2HG2 VAL 41 2HG2 VAL 41 -2.439 -0.832 3.659 307 3HG2 VAL 41 3HG2 VAL 41 -1.086 -0.303 4.655 308 H LEU 42 H LEU 42 -2.605 0.099 9.604 309 HA LEU 42 HA LEU 42 -1.919 -2.754 10.222 310 1HB LEU 42 2HB LEU 42 -1.457 -0.199 11.765 311 2HB LEU 42 1HB LEU 42 -1.335 -1.789 12.518 312 HG LEU 42 HG LEU 42 0.216 -0.929 10.065 313 1HD1 LEU 42 1HD1 LEU 42 1.016 0.348 11.950 314 2HD1 LEU 42 2HD1 LEU 42 2.160 -0.967 11.695 315 3HD1 LEU 42 3HD1 LEU 42 0.976 -1.070 12.996 316 1HD2 LEU 42 1HD2 LEU 42 0.312 -3.216 9.897 317 2HD2 LEU 42 2HD2 LEU 42 -0.067 -3.468 11.597 318 3HD2 LEU 42 3HD2 LEU 42 1.570 -3.031 11.114 319 H SER 43 H SER 43 -4.640 -1.121 9.827 320 HA SER 43 HA SER 43 -5.941 -2.500 12.128 321 1HB SER 43 2HB SER 43 -7.110 -0.597 12.857 322 2HB SER 43 1HB SER 43 -5.497 0.031 12.531 323 HG SER 43 HG SER 43 -7.883 0.332 11.089 324 H GLY 44 H GLY 44 -8.080 -3.159 11.713 325 1HA GLY 44 2HA GLY 44 -8.746 -3.688 8.976 326 2HA GLY 44 1HA GLY 44 -9.838 -3.905 10.346 327 H ALA 45 H ALA 45 -9.265 -0.958 11.023 328 HA ALA 45 HA ALA 45 -11.499 0.110 9.441 329 1HB ALA 45 1HB ALA 45 -11.377 0.661 11.823 330 2HB ALA 45 2HB ALA 45 -11.180 2.133 10.870 331 3HB ALA 45 3HB ALA 45 -9.772 1.362 11.602 332 H GLU 46 H GLU 46 -8.003 0.523 9.707 333 HA GLU 46 HA GLU 46 -7.856 2.801 7.930 334 1HB GLU 46 2HB GLU 46 -6.064 2.057 9.584 335 2HB GLU 46 1HB GLU 46 -5.672 0.768 8.445 336 1HG GLU 46 2HG GLU 46 -5.153 2.384 6.708 337 2HG GLU 46 1HG GLU 46 -5.697 3.714 7.733 338 H GLY 47 H GLY 47 -7.623 -0.717 7.506 339 1HA GLY 47 2HA GLY 47 -6.829 -0.725 4.774 340 2HA GLY 47 1HA GLY 47 -7.752 -2.014 5.553 341 H SER 48 H SER 48 -9.973 -0.275 6.305 342 HA SER 48 HA SER 48 -11.385 -0.296 3.724 343 1HB SER 48 2HB SER 48 -12.231 0.220 6.580 344 2HB SER 48 1HB SER 48 -13.325 0.480 5.223 345 HG SER 48 HG SER 48 -13.661 -1.595 5.742 346 H PHE 49 H PHE 49 -10.083 2.027 6.025 347 HA PHE 49 HA PHE 49 -11.381 4.346 4.913 348 1HB PHE 49 2HB PHE 49 -9.976 3.967 7.164 349 2HB PHE 49 1HB PHE 49 -8.667 4.581 6.157 350 HD1 PHE 49 1HD PHE 49 -11.141 5.563 8.398 351 HD2 PHE 49 2HD PHE 49 -9.476 6.671 4.595 352 HE1 PHE 49 1HE PHE 49 -11.987 7.873 8.700 353 HE2 PHE 49 2HE PHE 49 -10.323 8.981 4.900 354 HZ PHE 49 HZ PHE 49 -11.579 9.583 6.952 355 H VAL 50 H VAL 50 -8.112 2.962 4.438 356 HA VAL 50 HA VAL 50 -7.286 4.836 2.454 357 HB VAL 50 HB VAL 50 -6.477 1.919 2.685 358 1HG1 VAL 50 1HG1 VAL 50 -4.380 2.757 1.628 359 2HG1 VAL 50 2HG1 VAL 50 -5.135 4.338 1.441 360 3HG1 VAL 50 3HG1 VAL 50 -5.784 2.943 0.579 361 1HG2 VAL 50 1HG2 VAL 50 -6.257 3.423 4.779 362 2HG2 VAL 50 2HG2 VAL 50 -5.039 4.306 3.861 363 3HG2 VAL 50 3HG2 VAL 50 -4.799 2.599 4.227 364 H SER 51 H SER 51 -9.063 1.774 2.236 365 HA SER 51 HA SER 51 -9.086 1.508 -0.588 366 1HB SER 51 2HB SER 51 -9.943 -0.349 0.553 367 2HB SER 51 1HB SER 51 -10.944 0.641 1.611 368 HG SER 51 HG SER 51 -12.341 0.998 -0.064 369 H SER 52 H SER 52 -11.281 3.304 1.575 370 HA SER 52 HA SER 52 -13.000 4.218 -0.562 371 1HB SER 52 2HB SER 52 -14.058 5.554 1.084 372 2HB SER 52 1HB SER 52 -13.502 4.135 1.967 373 HG SER 52 HG SER 52 -12.453 6.749 1.907 374 H LEU 53 H LEU 53 -9.937 5.267 0.692 375 HA LEU 53 HA LEU 53 -10.103 7.981 -0.359 376 1HB LEU 53 2HB LEU 53 -8.602 7.742 1.446 377 2HB LEU 53 1HB LEU 53 -7.927 6.249 0.804 378 HG LEU 53 HG LEU 53 -6.932 7.574 -1.086 379 1HD1 LEU 53 1HD1 LEU 53 -7.944 9.893 0.597 380 2HD1 LEU 53 2HD1 LEU 53 -8.450 9.496 -1.045 381 3HD1 LEU 53 3HD1 LEU 53 -6.804 10.054 -0.740 382 1HD2 LEU 53 1HD2 LEU 53 -6.173 8.486 1.709 383 2HD2 LEU 53 2HD2 LEU 53 -5.139 8.566 0.282 384 3HD2 LEU 53 3HD2 LEU 53 -5.622 7.000 0.934 385 H VAL 54 H VAL 54 -9.171 4.848 -1.570 386 HA VAL 54 HA VAL 54 -8.271 6.142 -4.118 387 HB VAL 54 HB VAL 54 -6.774 4.255 -4.442 388 1HG1 VAL 54 1HG1 VAL 54 -6.206 6.241 -2.878 389 2HG1 VAL 54 2HG1 VAL 54 -5.187 4.806 -2.773 390 3HG1 VAL 54 3HG1 VAL 54 -6.434 5.093 -1.559 391 1HG2 VAL 54 1HG2 VAL 54 -6.555 2.653 -2.410 392 2HG2 VAL 54 2HG2 VAL 54 -7.913 2.399 -3.505 393 3HG2 VAL 54 3HG2 VAL 54 -8.164 3.222 -1.965 394 H LYS 55 H LYS 55 -10.971 4.944 -3.057 395 HA LYS 55 HA LYS 55 -11.389 2.788 -5.036 396 1HB LYS 55 2HB LYS 55 -12.474 2.389 -2.952 397 2HB LYS 55 1HB LYS 55 -13.129 4.025 -2.894 398 1HG LYS 55 2HG LYS 55 -14.719 3.579 -4.581 399 2HG LYS 55 1HG LYS 55 -13.856 2.146 -5.139 400 1HD LYS 55 2HD LYS 55 -15.827 1.460 -3.874 401 2HD LYS 55 1HD LYS 55 -14.375 1.031 -2.969 402 1HE LYS 55 2HE LYS 55 -14.654 2.826 -1.450 403 2HE LYS 55 1HE LYS 55 -15.801 3.652 -2.505 404 1HZ LYS 55 1HZ LYS 55 -16.262 1.068 -1.116 405 2HZ LYS 55 2HZ LYS 55 -17.364 1.836 -2.158 406 3HZ LYS 55 3HZ LYS 55 -16.935 2.563 -0.684 407 H SER 56 H SER 56 -11.460 6.136 -5.069 408 HA SER 56 HA SER 56 -13.520 6.171 -7.248 409 1HB SER 56 2HB SER 56 -12.575 8.563 -5.660 410 2HB SER 56 1HB SER 56 -13.998 8.441 -6.690 411 HG SER 56 HG SER 56 -14.963 7.148 -5.200 412 H ILE 57 H ILE 57 -10.556 5.559 -7.367 413 HA ILE 57 HA ILE 57 -9.211 7.796 -8.542 414 HB ILE 57 HB ILE 57 -7.981 5.893 -7.671 415 1HG1 ILE 57 2HG1 ILE 57 -7.707 5.887 -10.684 416 2HG1 ILE 57 1HG1 ILE 57 -7.098 7.184 -9.657 417 1HG2 ILE 57 1HG2 ILE 57 -8.976 4.177 -9.937 418 2HG2 ILE 57 2HG2 ILE 57 -9.898 4.277 -8.437 419 3HG2 ILE 57 3HG2 ILE 57 -8.239 3.685 -8.412 420 1HD1 ILE 57 1HD1 ILE 57 -5.418 5.352 -10.236 421 2HD1 ILE 57 2HD1 ILE 57 -6.372 4.287 -9.204 422 3HD1 ILE 57 3HD1 ILE 57 -5.601 5.717 -8.521 423 H GLY 58 H GLY 58 -10.674 4.905 -10.091 424 1HA GLY 58 2HA GLY 58 -12.222 5.764 -12.053 425 2HA GLY 58 1HA GLY 58 -10.692 6.389 -12.672 426 H ASN 59 H ASN 59 -12.353 4.362 -13.936 427 HA ASN 59 HA ASN 59 -11.474 1.725 -13.517 428 1HB ASN 59 2HB ASN 59 -12.250 3.047 -16.131 429 2HB ASN 59 1HB ASN 59 -12.182 1.307 -15.847 430 1HD2 ASN 59 1HD2 ASN 59 -14.212 0.456 -15.409 431 2HD2 ASN 59 2HD2 ASN 59 -15.459 1.268 -14.591 432 H SER 60 H SER 60 -9.911 4.394 -15.180 433 HA SER 60 HA SER 60 -7.983 2.909 -16.666 434 1HB SER 60 2HB SER 60 -8.226 5.256 -17.117 435 2HB SER 60 1HB SER 60 -7.887 5.676 -15.438 436 HG SER 60 HG SER 60 -6.181 5.337 -17.458 437 H TYR 61 H TYR 61 -8.474 2.638 -13.477 438 HA TYR 61 HA TYR 61 -5.782 1.608 -12.983 439 1HB TYR 61 2HB TYR 61 -6.866 3.965 -11.431 440 2HB TYR 61 1HB TYR 61 -5.469 3.012 -10.935 441 HD1 TYR 61 1HD TYR 61 -6.435 5.915 -12.641 442 HD2 TYR 61 2HD TYR 61 -3.692 2.622 -12.934 443 HE1 TYR 61 1HE TYR 61 -4.983 7.257 -14.136 444 HE2 TYR 61 2HE TYR 61 -2.241 3.965 -14.428 445 HH TYR 61 HH TYR 61 -2.230 7.075 -14.671 446 H SER 62 H SER 62 -6.125 -0.243 -11.874 447 HA SER 62 HA SER 62 -8.599 -0.448 -10.201 448 1HB SER 62 2HB SER 62 -8.047 -3.009 -10.613 449 2HB SER 62 1HB SER 62 -8.907 -2.071 -11.830 450 HG SER 62 HG SER 62 -6.877 -1.695 -12.831 451 H TYR 63 H TYR 63 -5.119 -1.052 -10.316 452 HA TYR 63 HA TYR 63 -5.276 -1.961 -7.471 453 1HB TYR 63 2HB TYR 63 -3.229 -2.396 -9.638 454 2HB TYR 63 1HB TYR 63 -2.870 -2.710 -7.940 455 HD1 TYR 63 1HD TYR 63 -5.606 -3.398 -10.425 456 HD2 TYR 63 2HD TYR 63 -3.239 -4.872 -7.158 457 HE1 TYR 63 1HE TYR 63 -6.743 -5.593 -10.591 458 HE2 TYR 63 2HE TYR 63 -4.373 -7.070 -7.329 459 HH TYR 63 HH TYR 63 -5.590 -8.370 -9.186 460 H VAL 64 H VAL 64 -3.499 -1.204 -6.042 461 HA VAL 64 HA VAL 64 -2.298 1.410 -6.812 462 HB VAL 64 HB VAL 64 -4.100 0.936 -4.414 463 1HG1 VAL 64 1HG1 VAL 64 -3.548 3.041 -3.581 464 2HG1 VAL 64 2HG1 VAL 64 -2.907 3.595 -5.124 465 3HG1 VAL 64 3HG1 VAL 64 -1.985 2.456 -4.141 466 1HG2 VAL 64 1HG2 VAL 64 -4.344 2.553 -6.951 467 2HG2 VAL 64 2HG2 VAL 64 -5.334 2.886 -5.532 468 3HG2 VAL 64 3HG2 VAL 64 -5.444 1.320 -6.333 469 H TRP 65 H TRP 65 -0.293 1.734 -5.794 470 HA TRP 65 HA TRP 65 0.885 -0.583 -4.478 471 1HB TRP 65 2HB TRP 65 1.815 2.021 -5.517 472 2HB TRP 65 1HB TRP 65 2.720 1.431 -4.133 473 HD1 TRP 65 HD TRP 65 3.474 1.646 -7.371 474 HE1 TRP 65 1HE TRP 65 4.634 -0.402 -8.409 475 HE3 TRP 65 3HE TRP 65 2.189 -1.945 -3.956 476 HZ2 TRP 65 2HZ TRP 65 4.935 -3.179 -7.895 477 HZ3 TRP 65 3HZ TRP 65 2.928 -4.281 -4.275 478 HH2 TRP 65 HH TRP 65 4.301 -4.904 -6.236 479 H ILE 66 H ILE 66 1.683 -0.667 -2.290 480 HA ILE 66 HA ILE 66 0.935 1.617 -0.533 481 HB ILE 66 HB ILE 66 0.105 -0.008 1.199 482 1HG1 ILE 66 2HG1 ILE 66 0.192 -1.931 -1.140 483 2HG1 ILE 66 1HG1 ILE 66 1.111 -2.062 0.357 484 1HG2 ILE 66 1HG2 ILE 66 -2.105 -0.099 0.314 485 2HG2 ILE 66 2HG2 ILE 66 -1.515 -0.215 -1.343 486 3HG2 ILE 66 3HG2 ILE 66 -1.361 1.301 -0.458 487 1HD1 ILE 66 1HD1 ILE 66 -1.868 -2.361 -0.043 488 2HD1 ILE 66 2HD1 ILE 66 -1.189 -2.012 1.546 489 3HD1 ILE 66 3HD1 ILE 66 -0.745 -3.496 0.703 490 H GLY 67 H GLY 67 1.954 0.998 1.791 491 1HA GLY 67 2HA GLY 67 4.765 0.452 1.214 492 2HA GLY 67 1HA GLY 67 4.115 1.049 2.738 493 H LEU 68 H LEU 68 3.701 -1.917 0.766 494 HA LEU 68 HA LEU 68 4.361 -3.464 3.245 495 1HB LEU 68 2HB LEU 68 1.867 -3.492 2.450 496 2HB LEU 68 1HB LEU 68 2.466 -4.530 1.167 497 HG LEU 68 HG LEU 68 1.844 -6.099 2.792 498 1HD1 LEU 68 1HD1 LEU 68 4.273 -6.377 2.198 499 2HD1 LEU 68 2HD1 LEU 68 3.836 -7.039 3.766 500 3HD1 LEU 68 3HD1 LEU 68 4.678 -5.501 3.676 501 1HD2 LEU 68 1HD2 LEU 68 1.176 -4.819 4.616 502 2HD2 LEU 68 2HD2 LEU 68 2.734 -4.003 4.743 503 3HD2 LEU 68 3HD2 LEU 68 2.571 -5.678 5.263 504 H HIS 69 H HIS 69 6.069 -4.838 2.924 505 HA HIS 69 HA HIS 69 6.577 -5.816 0.162 506 1HB HIS 69 2HB HIS 69 8.899 -5.233 0.236 507 2HB HIS 69 1HB HIS 69 7.998 -3.775 0.655 508 HD1 HIS 69 1HD HIS 69 10.692 -5.866 1.868 509 HD2 HIS 69 2HD HIS 69 7.740 -3.535 3.641 510 HE1 HIS 69 1HE HIS 69 11.420 -5.490 4.265 511 H ASP 70 H ASP 70 8.572 -7.378 0.369 512 HA ASP 70 HA ASP 70 7.846 -9.323 2.495 513 1HB ASP 70 2HB ASP 70 7.809 -10.024 0.082 514 2HB ASP 70 1HB ASP 70 9.552 -9.756 0.031 515 HA PRO 71 HA PRO 71 11.750 -7.793 4.295 516 1HB PRO 71 2HB PRO 71 11.345 -9.595 6.502 517 2HB PRO 71 1HB PRO 71 11.142 -7.842 6.473 518 1HG PRO 71 2HG PRO 71 9.100 -9.825 6.644 519 2HG PRO 71 1HG PRO 71 8.899 -8.076 6.533 520 1HD PRO 71 2HD PRO 71 8.381 -10.081 4.498 521 2HD PRO 71 1HD PRO 71 8.058 -8.329 4.438 522 H THR 72 H THR 72 10.858 -10.875 3.200 523 HA THR 72 HA THR 72 13.489 -12.098 3.859 524 HB THR 72 HB THR 72 12.502 -14.186 3.116 525 HG1 THR 72 1HG THR 72 11.173 -13.937 1.515 526 1HG2 THR 72 1HG2 THR 72 11.395 -12.565 5.199 527 2HG2 THR 72 2HG2 THR 72 11.461 -14.325 5.111 528 3HG2 THR 72 3HG2 THR 72 10.076 -13.460 4.449 529 H GLN 73 H GLN 73 11.947 -10.387 1.361 530 HA GLN 73 HA GLN 73 12.519 -9.990 -0.879 531 1HB GLN 73 2HB GLN 73 15.183 -10.751 0.335 532 2HB GLN 73 1HB GLN 73 15.024 -10.206 -1.334 533 1HG GLN 73 2HG GLN 73 13.912 -8.616 0.983 534 2HG GLN 73 1HG GLN 73 15.563 -8.397 0.400 535 1HE2 GLN 73 1HE2 GLN 73 14.353 -6.125 0.008 536 2HE2 GLN 73 2HE2 GLN 73 13.710 -5.931 -1.551 537 H GLY 74 H GLY 74 12.286 -13.005 0.323 538 1HA GLY 74 2HA GLY 74 11.556 -14.658 -1.481 539 2HA GLY 74 1HA GLY 74 13.102 -14.304 -2.253 540 H THR 75 H THR 75 12.258 -14.928 1.167 541 HA THR 75 HA THR 75 13.697 -17.488 1.108 542 HB THR 75 HB THR 75 15.255 -16.747 2.962 543 HG1 THR 75 1HG THR 75 14.094 -14.298 2.209 544 1HG2 THR 75 1HG2 THR 75 15.840 -16.911 0.469 545 2HG2 THR 75 2HG2 THR 75 16.898 -15.910 1.463 546 3HG2 THR 75 3HG2 THR 75 15.684 -15.154 0.431 547 H GLU 76 H GLU 76 11.261 -17.718 1.664 548 HA GLU 76 HA GLU 76 11.075 -18.052 4.576 549 1HB GLU 76 2HB GLU 76 10.206 -15.657 3.658 550 2HB GLU 76 1HB GLU 76 8.737 -16.600 3.432 551 1HG GLU 76 2HG GLU 76 10.307 -16.337 6.016 552 2HG GLU 76 1HG GLU 76 8.750 -15.583 5.666 553 HA PRO 77 HA PRO 77 9.017 -21.271 1.899 554 1HB PRO 77 2HB PRO 77 9.951 -23.217 3.810 555 2HB PRO 77 1HB PRO 77 10.459 -22.997 2.135 556 1HG PRO 77 2HG PRO 77 11.960 -22.416 4.486 557 2HG PRO 77 1HG PRO 77 12.423 -22.104 2.811 558 1HD PRO 77 2HD PRO 77 11.615 -20.192 4.849 559 2HD PRO 77 1HD PRO 77 12.217 -19.866 3.205 560 H ASN 78 H ASN 78 7.737 -19.601 3.905 561 HA ASN 78 HA ASN 78 5.690 -21.506 4.807 562 1HB ASN 78 2HB ASN 78 7.414 -19.938 6.735 563 2HB ASN 78 1HB ASN 78 5.814 -20.534 7.176 564 1HD2 ASN 78 1HD2 ASN 78 9.129 -21.508 6.473 565 2HD2 ASN 78 2HD2 ASN 78 8.935 -23.140 6.899 566 H GLY 79 H GLY 79 6.898 -18.172 4.715 567 1HA GLY 79 2HA GLY 79 5.655 -16.290 3.923 568 2HA GLY 79 1HA GLY 79 4.181 -17.257 4.004 569 H GLU 80 H GLU 80 6.576 -15.586 6.037 570 HA GLU 80 HA GLU 80 4.393 -14.850 7.894 571 1HB GLU 80 2HB GLU 80 6.780 -16.545 8.635 572 2HB GLU 80 1HB GLU 80 5.951 -15.555 9.837 573 1HG GLU 80 2HG GLU 80 3.803 -16.678 9.213 574 2HG GLU 80 1HG GLU 80 4.715 -17.740 8.137 575 H GLY 81 H GLY 81 6.099 -13.376 6.015 576 1HA GLY 81 2HA GLY 81 7.656 -11.696 7.950 577 2HA GLY 81 1HA GLY 81 8.078 -11.868 6.245 578 H TRP 82 H TRP 82 6.681 -10.905 4.661 579 HA TRP 82 HA TRP 82 5.753 -8.808 3.973 580 1HB TRP 82 2HB TRP 82 3.201 -8.992 4.837 581 2HB TRP 82 1HB TRP 82 3.843 -10.004 3.545 582 HD1 TRP 82 HD TRP 82 5.110 -12.362 4.599 583 HE1 TRP 82 1HE TRP 82 4.099 -13.972 6.340 584 HE3 TRP 82 3HE TRP 82 1.597 -9.304 6.698 585 HZ2 TRP 82 2HZ TRP 82 2.069 -13.966 8.353 586 HZ3 TRP 82 3HZ TRP 82 0.137 -10.134 8.520 587 HH2 TRP 82 HH TRP 82 0.369 -12.458 9.350 588 H GLU 83 H GLU 83 6.673 -7.009 5.052 589 HA GLU 83 HA GLU 83 5.235 -6.205 7.572 590 1HB GLU 83 2HB GLU 83 8.167 -5.967 6.873 591 2HB GLU 83 1HB GLU 83 7.420 -5.012 8.153 592 1HG GLU 83 2HG GLU 83 6.852 -6.945 9.415 593 2HG GLU 83 1HG GLU 83 7.161 -8.021 8.053 594 H TRP 84 H TRP 84 4.739 -3.972 7.754 595 HA TRP 84 HA TRP 84 4.493 -2.581 5.230 596 1HB TRP 84 2HB TRP 84 3.992 -1.413 7.965 597 2HB TRP 84 1HB TRP 84 3.256 -0.948 6.432 598 HD1 TRP 84 HD TRP 84 3.205 -3.745 9.048 599 HE1 TRP 84 1HE TRP 84 1.043 -5.114 8.749 600 HE3 TRP 84 3HE TRP 84 1.383 -1.588 4.795 601 HZ2 TRP 84 2HZ TRP 84 -1.169 -5.275 6.942 602 HZ3 TRP 84 3HZ TRP 84 -0.748 -2.375 3.805 603 HH2 TRP 84 HH TRP 84 -2.024 -4.207 4.873 604 H SER 85 H SER 85 5.913 -1.117 4.416 605 HA SER 85 HA SER 85 8.351 -0.566 5.945 606 1HB SER 85 2HB SER 85 9.181 0.441 3.917 607 2HB SER 85 1HB SER 85 8.312 -1.016 3.444 608 HG SER 85 HG SER 85 7.092 0.241 2.301 609 H SER 86 H SER 86 5.345 0.679 6.026 610 HA SER 86 HA SER 86 6.365 3.361 6.837 611 1HB SER 86 2HB SER 86 4.774 4.482 5.589 612 2HB SER 86 1HB SER 86 5.037 3.090 4.540 613 HG SER 86 HG SER 86 2.826 3.399 4.923 614 H SER 87 H SER 87 4.884 0.558 7.873 615 HA SER 87 HA SER 87 3.306 2.135 9.896 616 1HB SER 87 2HB SER 87 2.545 -0.695 9.472 617 2HB SER 87 1HB SER 87 1.539 0.722 9.737 618 HG SER 87 HG SER 87 2.865 0.901 7.398 619 H ASP 88 H ASP 88 4.807 -1.094 9.502 620 HA ASP 88 HA ASP 88 6.768 -1.195 11.352 621 1HB ASP 88 2HB ASP 88 4.160 -0.839 12.790 622 2HB ASP 88 1HB ASP 88 5.297 -1.987 13.478 623 H VAL 89 H VAL 89 6.036 -3.412 13.045 624 HA VAL 89 HA VAL 89 6.288 -5.582 11.234 625 HB VAL 89 HB VAL 89 6.874 -5.738 13.635 626 1HG1 VAL 89 1HG1 VAL 89 5.208 -5.784 15.343 627 2HG1 VAL 89 2HG1 VAL 89 3.900 -5.891 14.165 628 3HG1 VAL 89 3HG1 VAL 89 4.813 -4.391 14.335 629 1HG2 VAL 89 1HG2 VAL 89 6.051 -7.981 13.989 630 2HG2 VAL 89 2HG2 VAL 89 6.283 -7.776 12.253 631 3HG2 VAL 89 3HG2 VAL 89 4.661 -7.691 12.942 632 H MET 90 H MET 90 4.690 -7.218 10.663 633 HA MET 90 HA MET 90 2.227 -6.143 9.736 634 1HB MET 90 2HB MET 90 1.571 -8.577 9.439 635 2HB MET 90 1HB MET 90 3.086 -8.112 8.670 636 1HG MET 90 2HG MET 90 4.171 -8.893 10.928 637 2HG MET 90 1HG MET 90 2.656 -9.765 11.146 638 1HE MET 90 1HE MET 90 4.348 -11.498 11.486 639 2HE MET 90 2HE MET 90 5.838 -11.225 10.587 640 3HE MET 90 3HE MET 90 4.842 -12.632 10.221 641 H ASN 91 H ASN 91 1.093 -5.135 11.458 642 HA ASN 91 HA ASN 91 0.295 -6.854 13.749 643 1HB ASN 91 2HB ASN 91 0.932 -4.155 13.586 644 2HB ASN 91 1HB ASN 91 -0.831 -4.133 13.641 645 1HD2 ASN 91 1HD2 ASN 91 1.787 -4.001 15.659 646 2HD2 ASN 91 2HD2 ASN 91 1.116 -4.702 17.052 647 H TYR 92 H TYR 92 -0.751 -6.100 10.672 648 HA TYR 92 HA TYR 92 -3.504 -7.002 11.334 649 1HB TYR 92 2HB TYR 92 -3.560 -4.532 11.068 650 2HB TYR 92 1HB TYR 92 -2.859 -4.707 9.460 651 HD1 TYR 92 1HD TYR 92 -5.640 -6.328 11.418 652 HD2 TYR 92 2HD TYR 92 -4.391 -4.532 7.718 653 HE1 TYR 92 1HE TYR 92 -7.894 -6.716 10.468 654 HE2 TYR 92 2HE TYR 92 -6.651 -4.923 6.772 655 HH TYR 92 HH TYR 92 -8.628 -6.831 7.459 656 H PHE 93 H PHE 93 -4.502 -8.191 9.587 657 HA PHE 93 HA PHE 93 -2.704 -8.796 7.277 658 1HB PHE 93 2HB PHE 93 -3.485 -11.213 7.528 659 2HB PHE 93 1HB PHE 93 -2.348 -10.643 8.750 660 HD1 PHE 93 1HD PHE 93 -5.685 -11.905 8.119 661 HD2 PHE 93 2HD PHE 93 -3.231 -9.858 10.989 662 HE1 PHE 93 1HE PHE 93 -7.334 -12.423 9.897 663 HE2 PHE 93 2HE PHE 93 -4.880 -10.375 12.767 664 HZ PHE 93 HZ PHE 93 -6.931 -11.657 12.222 665 H ALA 94 H ALA 94 -3.789 -9.278 5.343 666 HA ALA 94 HA ALA 94 -6.591 -9.837 5.152 667 1HB ALA 94 1HB ALA 94 -7.583 -7.792 4.780 668 2HB ALA 94 2HB ALA 94 -6.114 -7.082 4.110 669 3HB ALA 94 3HB ALA 94 -6.294 -7.252 5.855 670 H TRP 95 H TRP 95 -3.900 -10.493 4.007 671 HA TRP 95 HA TRP 95 -3.829 -9.569 1.280 672 1HB TRP 95 2HB TRP 95 -2.371 -11.730 1.019 673 2HB TRP 95 1HB TRP 95 -1.769 -10.396 1.997 674 HD1 TRP 95 HD TRP 95 -4.527 -12.365 3.623 675 HE1 TRP 95 1HE TRP 95 -3.552 -13.846 5.485 676 HE3 TRP 95 3HE TRP 95 0.458 -11.855 2.637 677 HZ2 TRP 95 2HZ TRP 95 -1.000 -14.708 6.435 678 HZ3 TRP 95 3HZ TRP 95 2.139 -13.021 4.037 679 HH2 TRP 95 HH TRP 95 1.416 -14.445 5.934 680 H GLU 96 H GLU 96 -4.299 -10.858 -0.641 681 HA GLU 96 HA GLU 96 -6.834 -12.284 -0.385 682 1HB GLU 96 2HB GLU 96 -6.144 -10.756 -2.322 683 2HB GLU 96 1HB GLU 96 -5.124 -12.087 -2.870 684 1HG GLU 96 2HG GLU 96 -7.107 -13.571 -2.928 685 2HG GLU 96 1HG GLU 96 -8.121 -12.218 -2.425 686 H ARG 97 H ARG 97 -3.454 -13.138 -0.910 687 HA ARG 97 HA ARG 97 -4.164 -15.978 -0.422 688 1HB ARG 97 2HB ARG 97 -2.730 -14.930 -2.868 689 2HB ARG 97 1HB ARG 97 -2.541 -16.595 -2.320 690 1HG ARG 97 2HG ARG 97 -5.021 -16.867 -2.415 691 2HG ARG 97 1HG ARG 97 -5.143 -15.238 -3.080 692 1HD ARG 97 2HD ARG 97 -3.857 -15.867 -5.030 693 2HD ARG 97 1HD ARG 97 -3.499 -17.449 -4.339 694 HE ARG 97 HE ARG 97 -6.344 -17.079 -4.518 695 1HH1 ARG 97 1HH1 ARG 97 -3.625 -17.198 -6.609 696 2HH1 ARG 97 2HH1 ARG 97 -4.386 -18.238 -7.768 697 1HH2 ARG 97 1HH2 ARG 97 -7.292 -18.620 -5.915 698 2HH2 ARG 97 2HH2 ARG 97 -6.460 -19.042 -7.375 699 H ASN 98 H ASN 98 -2.438 -17.151 0.535 700 HA ASN 98 HA ASN 98 -0.405 -15.467 1.799 701 1HB ASN 98 2HB ASN 98 -0.613 -18.474 1.996 702 2HB ASN 98 1HB ASN 98 0.078 -17.354 3.168 703 1HD2 ASN 98 1HD2 ASN 98 -2.856 -18.910 2.157 704 2HD2 ASN 98 2HD2 ASN 98 -3.892 -18.130 3.252 705 HA PRO 99 HA PRO 99 2.765 -16.163 -1.240 706 1HB PRO 99 2HB PRO 99 4.848 -16.414 0.734 707 2HB PRO 99 1HB PRO 99 4.457 -15.015 -0.271 708 1HG PRO 99 2HG PRO 99 3.972 -15.382 2.551 709 2HG PRO 99 1HG PRO 99 3.687 -13.945 1.566 710 1HD PRO 99 2HD PRO 99 1.713 -15.676 2.685 711 2HD PRO 99 1HD PRO 99 1.443 -14.337 1.541 712 H SER 100 H SER 100 2.384 -18.324 1.495 713 HA SER 100 HA SER 100 4.196 -20.374 0.561 714 1HB SER 100 2HB SER 100 3.686 -20.580 2.834 715 2HB SER 100 1HB SER 100 1.974 -20.249 2.581 716 HG SER 100 HG SER 100 1.652 -22.289 2.103 717 H THR 101 H THR 101 0.946 -19.467 -0.260 718 HA THR 101 HA THR 101 0.345 -22.072 -1.506 719 HB THR 101 HB THR 101 -1.770 -20.925 -2.202 720 HG1 THR 101 1HG THR 101 -1.438 -18.840 -2.346 721 1HG2 THR 101 1HG2 THR 101 -1.525 -22.085 0.002 722 2HG2 THR 101 2HG2 THR 101 -2.697 -20.769 0.037 723 3HG2 THR 101 3HG2 THR 101 -1.090 -20.536 0.725 724 H ILE 102 H ILE 102 2.275 -19.554 -2.354 725 HA ILE 102 HA ILE 102 1.855 -20.090 -5.262 726 HB ILE 102 HB ILE 102 2.345 -17.394 -3.967 727 1HG1 ILE 102 2HG1 ILE 102 0.049 -18.341 -5.705 728 2HG1 ILE 102 1HG1 ILE 102 -0.011 -18.313 -3.944 729 1HG2 ILE 102 1HG2 ILE 102 2.320 -18.287 -6.860 730 2HG2 ILE 102 2HG2 ILE 102 3.625 -17.474 -5.997 731 3HG2 ILE 102 3HG2 ILE 102 2.143 -16.599 -6.377 732 1HD1 ILE 102 1HD1 ILE 102 0.484 -15.914 -5.732 733 2HD1 ILE 102 2HD1 ILE 102 0.447 -15.884 -3.969 734 3HD1 ILE 102 3HD1 ILE 102 -1.016 -16.268 -4.875 735 H SER 103 H SER 103 3.816 -19.829 -6.532 736 HA SER 103 HA SER 103 6.185 -20.728 -5.143 737 1HB SER 103 2HB SER 103 7.215 -20.786 -7.291 738 2HB SER 103 1HB SER 103 5.528 -21.203 -7.575 739 HG SER 103 HG SER 103 6.732 -19.414 -8.847 740 H SER 104 H SER 104 6.116 -18.780 -3.603 741 HA SER 104 HA SER 104 7.008 -16.721 -2.904 742 1HB SER 104 2HB SER 104 9.084 -17.941 -3.545 743 2HB SER 104 1HB SER 104 8.943 -17.274 -5.170 744 HG SER 104 HG SER 104 9.805 -16.110 -2.845 745 HA PRO 105 HA PRO 105 4.821 -14.435 -6.291 746 1HB PRO 105 2HB PRO 105 3.822 -12.673 -4.248 747 2HB PRO 105 1HB PRO 105 2.925 -13.858 -5.198 748 1HG PRO 105 2HG PRO 105 3.564 -13.996 -2.427 749 2HG PRO 105 1HG PRO 105 2.769 -15.229 -3.408 750 1HD PRO 105 2HD PRO 105 5.482 -15.229 -2.349 751 2HD PRO 105 1HD PRO 105 4.624 -16.543 -3.191 752 H GLY 106 H GLY 106 4.536 -11.643 -5.868 753 1HA GLY 106 2HA GLY 106 7.240 -10.744 -6.384 754 2HA GLY 106 1HA GLY 106 5.822 -9.704 -6.236 755 H HIS 107 H HIS 107 8.092 -8.762 -5.078 756 HA HIS 107 HA HIS 107 7.932 -9.491 -2.190 757 1HB HIS 107 2HB HIS 107 9.945 -7.584 -3.368 758 2HB HIS 107 1HB HIS 107 10.091 -8.605 -1.938 759 HD1 HIS 107 1HD HIS 107 11.068 -10.908 -2.262 760 HD2 HIS 107 2HD HIS 107 10.043 -9.129 -5.876 761 HE1 HIS 107 1HE HIS 107 11.940 -12.414 -4.096 762 H CYS 108 H CYS 108 5.925 -7.822 -3.680 763 HA CYS 108 HA CYS 108 5.869 -5.603 -1.738 764 1HB CYS 108 2HB CYS 108 6.013 -5.208 -4.728 765 2HB CYS 108 1HB CYS 108 5.328 -3.987 -3.653 766 H ALA 109 H ALA 109 3.732 -4.927 -1.304 767 HA ALA 109 HA ALA 109 1.627 -6.545 -2.686 768 1HB ALA 109 1HB ALA 109 0.627 -6.899 -0.684 769 2HB ALA 109 2HB ALA 109 0.876 -5.235 -0.157 770 3HB ALA 109 3HB ALA 109 2.178 -6.417 -0.000 771 H SER 110 H SER 110 -0.303 -5.566 -3.286 772 HA SER 110 HA SER 110 -0.483 -2.602 -3.182 773 1HB SER 110 2HB SER 110 -1.302 -3.762 -5.765 774 2HB SER 110 1HB SER 110 -0.333 -2.328 -5.440 775 HG SER 110 HG SER 110 0.581 -5.006 -5.199 776 H LEU 111 H LEU 111 -2.759 -1.913 -3.830 777 HA LEU 111 HA LEU 111 -4.698 -3.773 -2.627 778 1HB LEU 111 2HB LEU 111 -4.986 -0.962 -3.728 779 2HB LEU 111 1HB LEU 111 -6.288 -1.859 -2.961 780 HG LEU 111 HG LEU 111 -3.841 -1.830 -1.334 781 1HD1 LEU 111 1HD1 LEU 111 -5.206 0.787 -2.029 782 2HD1 LEU 111 2HD1 LEU 111 -3.508 0.381 -2.275 783 3HD1 LEU 111 3HD1 LEU 111 -4.142 0.566 -0.640 784 1HD2 LEU 111 1HD2 LEU 111 -6.597 -0.748 -0.703 785 2HD2 LEU 111 2HD2 LEU 111 -5.399 -1.383 0.424 786 3HD2 LEU 111 3HD2 LEU 111 -6.232 -2.473 -0.684 787 H SER 112 H SER 112 -6.621 -4.464 -3.777 788 HA SER 112 HA SER 112 -6.328 -4.426 -6.762 789 1HB SER 112 2HB SER 112 -7.086 -6.693 -6.843 790 2HB SER 112 1HB SER 112 -5.849 -6.644 -5.590 791 HG SER 112 HG SER 112 -8.144 -6.019 -4.454 792 H ARG 113 H ARG 113 -7.965 -3.234 -7.613 793 HA ARG 113 HA ARG 113 -10.286 -2.388 -6.231 794 1HB ARG 113 2HB ARG 113 -9.608 -1.310 -8.302 795 2HB ARG 113 1HB ARG 113 -9.861 -2.802 -9.206 796 1HG ARG 113 2HG ARG 113 -12.252 -2.727 -8.753 797 2HG ARG 113 1HG ARG 113 -12.042 -1.326 -7.703 798 1HD ARG 113 2HD ARG 113 -11.213 -0.011 -9.619 799 2HD ARG 113 1HD ARG 113 -11.420 -1.411 -10.669 800 HE ARG 113 HE ARG 113 -13.727 -0.934 -10.737 801 1HH1 ARG 113 1HH1 ARG 113 -12.678 1.860 -9.760 802 2HH1 ARG 113 2HH1 ARG 113 -13.860 2.199 -8.542 803 1HH2 ARG 113 1HH2 ARG 113 -15.061 -1.053 -8.427 804 2HH2 ARG 113 2HH2 ARG 113 -15.211 0.550 -7.787 805 H SER 114 H SER 114 -9.729 -5.313 -8.148 806 HA SER 114 HA SER 114 -12.387 -6.232 -8.374 807 1HB SER 114 2HB SER 114 -10.035 -8.040 -7.805 808 2HB SER 114 1HB SER 114 -11.471 -8.399 -8.759 809 HG SER 114 HG SER 114 -10.564 -6.351 -9.936 810 H THR 115 H THR 115 -10.483 -5.824 -5.553 811 HA THR 115 HA THR 115 -12.414 -7.503 -3.989 812 HB THR 115 HB THR 115 -10.660 -7.888 -2.370 813 HG1 THR 115 1HG THR 115 -9.531 -5.775 -3.717 814 1HG2 THR 115 1HG2 THR 115 -8.996 -9.070 -3.786 815 2HG2 THR 115 2HG2 THR 115 -9.631 -8.229 -5.201 816 3HG2 THR 115 3HG2 THR 115 -10.650 -9.368 -4.322 817 H ALA 116 H ALA 116 -12.613 -4.638 -4.823 818 HA ALA 116 HA ALA 116 -13.297 -2.617 -3.853 819 1HB ALA 116 1HB ALA 116 -13.456 -4.056 -1.206 820 2HB ALA 116 2HB ALA 116 -14.636 -4.370 -2.479 821 3HB ALA 116 3HB ALA 116 -14.470 -2.746 -1.812 822 H PHE 117 H PHE 117 -10.430 -3.519 -3.789 823 HA PHE 117 HA PHE 117 -8.395 -2.735 -2.936 824 1HB PHE 117 2HB PHE 117 -10.033 -0.465 -1.784 825 2HB PHE 117 1HB PHE 117 -8.330 -0.441 -2.239 826 HD1 PHE 117 1HD PHE 117 -11.786 -0.289 -3.447 827 HD2 PHE 117 2HD PHE 117 -7.657 -0.461 -4.615 828 HE1 PHE 117 1HE PHE 117 -12.406 0.410 -5.744 829 HE2 PHE 117 2HE PHE 117 -8.277 0.241 -6.911 830 HZ PHE 117 HZ PHE 117 -10.651 0.676 -7.474 831 H LEU 118 H LEU 118 -10.315 -4.374 -1.231 832 HA LEU 118 HA LEU 118 -9.457 -3.515 1.488 833 1HB LEU 118 2HB LEU 118 -11.479 -5.539 0.497 834 2HB LEU 118 1HB LEU 118 -11.029 -5.391 2.196 835 HG LEU 118 HG LEU 118 -12.136 -3.137 0.493 836 1HD1 LEU 118 1HD1 LEU 118 -13.761 -4.987 0.983 837 2HD1 LEU 118 2HD1 LEU 118 -14.209 -3.447 1.715 838 3HD1 LEU 118 3HD1 LEU 118 -13.484 -4.714 2.703 839 1HD2 LEU 118 1HD2 LEU 118 -11.093 -3.346 3.291 840 2HD2 LEU 118 2HD2 LEU 118 -12.510 -2.330 3.028 841 3HD2 LEU 118 3HD2 LEU 118 -11.014 -1.995 2.161 842 H ARG 119 H ARG 119 -8.881 -5.944 -0.943 843 HA ARG 119 HA ARG 119 -7.249 -7.537 0.986 844 1HB ARG 119 2HB ARG 119 -8.243 -8.149 -1.811 845 2HB ARG 119 1HB ARG 119 -7.183 -9.213 -0.886 846 1HG ARG 119 2HG ARG 119 -8.926 -9.191 0.951 847 2HG ARG 119 1HG ARG 119 -9.999 -8.355 -0.172 848 1HD ARG 119 2HD ARG 119 -9.507 -10.297 -1.798 849 2HD ARG 119 1HD ARG 119 -8.866 -11.144 -0.391 850 HE ARG 119 HE ARG 119 -11.556 -10.048 -0.003 851 1HH1 ARG 119 1HH2 ARG 119 -10.246 -12.552 1.224 852 2HH1 ARG 119 2HH2 ARG 119 -11.185 -13.801 0.475 853 1HH2 ARG 119 1HH1 ARG 119 -12.505 -11.714 -1.959 854 2HH2 ARG 119 2HH1 ARG 119 -12.464 -13.326 -1.327 855 H TRP 120 H TRP 120 -5.068 -8.200 0.243 856 HA TRP 120 HA TRP 120 -3.826 -6.086 -1.483 857 1HB TRP 120 2HB TRP 120 -2.283 -7.770 0.476 858 2HB TRP 120 1HB TRP 120 -1.907 -6.161 -0.143 859 HD1 TRP 120 HD TRP 120 -4.765 -4.842 0.396 860 HE1 TRP 120 1HE TRP 120 -5.448 -4.290 2.819 861 HE3 TRP 120 3HE TRP 120 -1.612 -7.955 2.928 862 HZ2 TRP 120 2HZ TRP 120 -4.745 -5.067 5.480 863 HZ3 TRP 120 3HZ TRP 120 -1.635 -8.028 5.403 864 HH2 TRP 120 HH TRP 120 -3.198 -6.589 6.685 865 H LYS 121 H LYS 121 -2.663 -6.736 -3.246 866 HA LYS 121 HA LYS 121 -2.267 -9.681 -3.634 867 1HB LYS 121 2HB LYS 121 -3.962 -8.515 -5.159 868 2HB LYS 121 1HB LYS 121 -2.594 -7.635 -5.839 869 1HG LYS 121 2HG LYS 121 -2.675 -9.451 -7.286 870 2HG LYS 121 1HG LYS 121 -1.553 -10.062 -6.072 871 1HD LYS 121 2HD LYS 121 -3.394 -11.219 -4.925 872 2HD LYS 121 1HD LYS 121 -4.543 -10.576 -6.097 873 1HE LYS 121 2HE LYS 121 -3.525 -11.809 -7.895 874 2HE LYS 121 1HE LYS 121 -2.166 -12.281 -6.874 875 1HZ LYS 121 1HZ LYS 121 -4.997 -13.119 -6.584 876 2HZ LYS 121 2HZ LYS 121 -3.792 -13.444 -5.433 877 3HZ LYS 121 3HZ LYS 121 -3.676 -14.100 -6.996 878 H ASP 122 H ASP 122 -0.272 -10.345 -4.437 879 HA ASP 122 HA ASP 122 1.927 -8.564 -3.885 880 1HB ASP 122 2HB ASP 122 3.351 -10.422 -4.617 881 2HB ASP 122 1HB ASP 122 2.078 -11.019 -3.553 882 H TYR 123 H TYR 123 3.496 -7.777 -5.441 883 HA TYR 123 HA TYR 123 2.868 -8.001 -8.303 884 1HB TYR 123 2HB TYR 123 2.121 -5.645 -6.670 885 2HB TYR 123 1HB TYR 123 3.007 -5.260 -8.146 886 HD1 TYR 123 1HD TYR 123 2.103 -5.854 -10.357 887 HD2 TYR 123 2HD TYR 123 -0.089 -6.652 -6.751 888 HE1 TYR 123 1HE TYR 123 0.047 -6.230 -11.691 889 HE2 TYR 123 2HE TYR 123 -2.145 -7.028 -8.084 890 HH TYR 123 HH TYR 123 -2.592 -6.021 -11.096 891 H ASN 124 H ASN 124 4.594 -7.045 -9.632 892 HA ASN 124 HA ASN 124 7.206 -7.476 -8.563 893 1HB ASN 124 2HB ASN 124 6.361 -5.898 -11.015 894 2HB ASN 124 1HB ASN 124 8.009 -6.426 -10.669 895 1HD2 ASN 124 1HD2 ASN 124 5.893 -7.250 -12.818 896 2HD2 ASN 124 2HD2 ASN 124 5.907 -8.946 -12.743 897 H CYS 125 H CYS 125 8.187 -6.210 -7.081 898 HA CYS 125 HA CYS 125 7.380 -3.730 -6.131 899 1HB CYS 125 2HB CYS 125 10.189 -4.835 -6.361 900 2HB CYS 125 1HB CYS 125 9.769 -3.410 -5.411 901 H ASN 126 H ASN 126 8.516 -4.277 -9.279 902 HA ASN 126 HA ASN 126 9.581 -1.503 -9.503 903 1HB ASN 126 2HB ASN 126 10.872 -3.453 -10.465 904 2HB ASN 126 1HB ASN 126 9.562 -3.667 -11.627 905 1HD2 ASN 126 1HD2 ASN 126 9.396 -0.470 -11.280 906 2HD2 ASN 126 2HD2 ASN 126 10.540 0.051 -12.422 907 H VAL 127 H VAL 127 6.932 -3.552 -10.700 908 HA VAL 127 HA VAL 127 5.946 -1.827 -12.730 909 HB VAL 127 HB VAL 127 4.587 -3.726 -10.807 910 1HG1 VAL 127 1HG1 VAL 127 3.304 -1.843 -12.796 911 2HG1 VAL 127 2HG1 VAL 127 2.875 -2.103 -11.107 912 3HG1 VAL 127 3HG1 VAL 127 2.525 -3.349 -12.305 913 1HG2 VAL 127 1HG2 VAL 127 4.682 -3.759 -13.830 914 2HG2 VAL 127 2HG2 VAL 127 4.329 -5.099 -12.739 915 3HG2 VAL 127 3HG2 VAL 127 5.968 -4.457 -12.845 916 H ARG 128 H ARG 128 5.144 0.282 -12.555 917 HA ARG 128 HA ARG 128 4.944 1.369 -9.838 918 1HB ARG 128 2HB ARG 128 4.335 3.461 -11.396 919 2HB ARG 128 1HB ARG 128 5.996 2.938 -11.159 920 1HG ARG 128 2HG ARG 128 5.975 1.686 -13.217 921 2HG ARG 128 1HG ARG 128 4.242 1.940 -13.414 922 1HD ARG 128 2HD ARG 128 5.549 4.497 -13.107 923 2HD ARG 128 1HD ARG 128 6.340 3.581 -14.390 924 HE ARG 128 HE ARG 128 3.709 4.742 -14.546 925 1HH1 ARG 128 1HH2 ARG 128 5.885 2.365 -15.711 926 2HH1 ARG 128 2HH2 ARG 128 4.831 1.811 -16.970 927 1HH2 ARG 128 1HH1 ARG 128 2.203 3.873 -16.036 928 2HH2 ARG 128 2HH1 ARG 128 2.746 2.665 -17.153 929 H LEU 129 H LEU 129 2.999 2.420 -8.983 930 HA LEU 129 HA LEU 129 0.559 1.939 -10.655 931 1HB LEU 129 2HB LEU 129 1.177 0.705 -7.978 932 2HB LEU 129 1HB LEU 129 -0.489 1.054 -8.401 933 HG LEU 129 HG LEU 129 0.778 -0.266 -10.635 934 1HD1 LEU 129 1HD1 LEU 129 1.202 -2.458 -9.521 935 2HD1 LEU 129 2HD1 LEU 129 1.017 -1.666 -7.956 936 3HD1 LEU 129 3HD1 LEU 129 2.347 -1.214 -9.023 937 1HD2 LEU 129 1HD2 LEU 129 -1.616 -0.250 -10.220 938 2HD2 LEU 129 2HD2 LEU 129 -1.385 -1.054 -8.667 939 3HD2 LEU 129 3HD2 LEU 129 -1.038 -1.914 -10.167 940 HA PRO 130 HA PRO 130 -0.663 5.780 -8.795 941 1HB PRO 130 2HB PRO 130 -3.302 4.905 -7.994 942 2HB PRO 130 1HB PRO 130 -2.877 5.917 -9.376 943 1HG PRO 130 2HG PRO 130 -3.717 3.148 -9.373 944 2HG PRO 130 1HG PRO 130 -3.412 4.202 -10.756 945 1HD PRO 130 2HD PRO 130 -1.811 2.002 -9.905 946 2HD PRO 130 1HD PRO 130 -1.394 3.194 -11.159 947 H TYR 131 H TYR 131 -0.281 6.396 -6.535 948 HA TYR 131 HA TYR 131 -0.815 4.213 -4.547 949 1HB TYR 131 2HB TYR 131 1.401 4.481 -3.605 950 2HB TYR 131 1HB TYR 131 1.549 4.162 -5.332 951 HD1 TYR 131 1HD TYR 131 1.691 6.204 -6.913 952 HD2 TYR 131 2HD TYR 131 2.390 6.411 -2.681 953 HE1 TYR 131 1HE TYR 131 2.913 8.341 -7.219 954 HE2 TYR 131 2HE TYR 131 3.614 8.547 -2.987 955 HH TYR 131 HH TYR 131 4.173 10.153 -4.426 956 H VAL 132 H VAL 132 -0.291 5.008 -2.250 957 HA VAL 132 HA VAL 132 -1.311 7.818 -1.940 958 HB VAL 132 HB VAL 132 -1.733 5.414 -0.135 959 1HG1 VAL 132 1HG1 VAL 132 -2.647 8.297 0.096 960 2HG1 VAL 132 2HG1 VAL 132 -1.534 7.464 1.180 961 3HG1 VAL 132 3HG1 VAL 132 -3.229 6.983 1.117 962 1HG2 VAL 132 1HG2 VAL 132 -3.055 5.674 -2.364 963 2HG2 VAL 132 2HG2 VAL 132 -3.866 7.009 -1.542 964 3HG2 VAL 132 3HG2 VAL 132 -3.964 5.377 -0.883 965 H CYS 133 H CYS 133 -0.406 8.915 0.020 966 HA CYS 133 HA CYS 133 2.126 7.681 1.005 967 1HB CYS 133 2HB CYS 133 2.796 9.087 -0.865 968 2HB CYS 133 1HB CYS 133 1.851 10.435 -0.237 969 H LYS 134 H LYS 134 2.372 7.974 3.179 970 HA LYS 134 HA LYS 134 0.503 9.873 4.527 971 1HB LYS 134 2HB LYS 134 0.671 8.524 6.443 972 2HB LYS 134 1HB LYS 134 0.730 7.345 5.137 973 1HG LYS 134 2HG LYS 134 3.274 7.539 5.248 974 2HG LYS 134 1HG LYS 134 3.050 8.434 6.751 975 1HD LYS 134 2HD LYS 134 1.753 5.737 6.361 976 2HD LYS 134 1HD LYS 134 3.425 5.867 6.903 977 1HE LYS 134 2HE LYS 134 2.683 7.325 8.774 978 2HE LYS 134 1HE LYS 134 1.012 7.109 8.256 979 1HZ LYS 134 1HZ LYS 134 2.484 4.651 8.571 980 2HZ LYS 134 2HZ LYS 134 0.927 5.063 9.111 981 3HZ LYS 134 3HZ LYS 134 2.291 5.525 10.012 982 H PHE 135 H PHE 135 1.373 11.346 6.160 983 HA PHE 135 HA PHE 135 4.200 11.565 6.695 984 1HB PHE 135 2HB PHE 135 4.666 13.611 5.331 985 2HB PHE 135 1HB PHE 135 4.409 12.170 4.351 986 HD1 PHE 135 1HD PHE 135 2.343 11.871 3.049 987 HD2 PHE 135 2HD PHE 135 3.024 15.413 5.383 988 HE1 PHE 135 1HE PHE 135 0.484 13.009 1.866 989 HE2 PHE 135 2HE PHE 135 1.164 16.550 4.199 990 HZ PHE 135 HZ PHE 135 -0.105 15.348 2.441 991 H THR 136 H THR 136 4.128 12.549 8.664 992 HA THR 136 HA THR 136 1.881 14.300 9.366 993 HB THR 136 HB THR 136 4.282 14.045 11.137 994 HG1 THR 136 1HG THR 136 4.099 11.970 11.333 995 1HG2 THR 136 1HG2 THR 136 2.504 13.810 12.846 996 2HG2 THR 136 2HG2 THR 136 1.287 13.855 11.572 997 3HG2 THR 136 3HG2 THR 136 2.290 15.271 11.884 998 H ASP 137 H ASP 137 2.552 16.436 10.574 999 HA ASP 137 HA ASP 137 4.936 17.748 9.462 1000 1HB ASP 137 2HB ASP 137 2.129 18.607 8.703 1001 2HB ASP 137 1HB ASP 137 3.561 19.609 8.466 Start of MODEL 4 1 1H ARG 1 1HT ARG 1 -4.822 19.417 9.749 2 2H ARG 1 2HT ARG 1 -4.767 20.999 10.365 3 3H ARG 1 3HT ARG 1 -3.337 20.096 10.207 4 HA ARG 1 HA ARG 1 -4.991 21.317 8.086 5 1HB ARG 1 2HB ARG 1 -3.065 22.543 9.188 6 2HB ARG 1 1HB ARG 1 -1.994 21.303 8.534 7 1HG ARG 1 2HG ARG 1 -2.793 21.836 6.249 8 2HG ARG 1 1HG ARG 1 -3.821 23.106 6.916 9 1HD ARG 1 2HD ARG 1 -1.921 24.357 7.687 10 2HD ARG 1 1HD ARG 1 -0.824 23.020 7.337 11 HE ARG 1 HE ARG 1 -2.265 23.976 4.983 12 1HH1 ARG 1 1HH1 ARG 1 0.624 22.874 5.374 13 2HH1 ARG 1 2HH1 ARG 1 1.542 24.273 4.920 14 1HH2 ARG 1 1HH2 ARG 1 -1.162 26.434 5.118 15 2HH2 ARG 1 2HH2 ARG 1 0.530 26.288 4.775 16 H CYS 2 H CYS 2 -5.169 20.242 6.171 17 HA CYS 2 HA CYS 2 -3.182 18.216 5.438 18 1HB CYS 2 2HB CYS 2 -5.396 17.358 6.785 19 2HB CYS 2 1HB CYS 2 -5.969 17.260 5.121 20 HA PRO 3 HA PRO 3 -3.969 20.199 1.523 21 1HB PRO 3 2HB PRO 3 -3.313 17.830 0.027 22 2HB PRO 3 1HB PRO 3 -2.318 19.260 0.303 23 1HG PRO 3 2HG PRO 3 -2.038 16.636 1.470 24 2HG PRO 3 1HG PRO 3 -0.986 18.042 1.664 25 1HD PRO 3 2HD PRO 3 -2.732 16.916 3.623 26 2HD PRO 3 1HD PRO 3 -1.796 18.425 3.759 27 H LYS 4 H LYS 4 -5.420 19.984 -0.366 28 HA LYS 4 HA LYS 4 -7.970 18.899 0.295 29 1HB LYS 4 2HB LYS 4 -6.904 19.732 -2.417 30 2HB LYS 4 1HB LYS 4 -8.604 19.518 -1.996 31 1HG LYS 4 2HG LYS 4 -8.553 21.354 -0.463 32 2HG LYS 4 1HG LYS 4 -6.793 21.445 -0.528 33 1HD LYS 4 2HD LYS 4 -6.962 22.021 -2.958 34 2HD LYS 4 1HD LYS 4 -8.718 22.066 -2.787 35 1HE LYS 4 2HE LYS 4 -8.617 23.903 -1.258 36 2HE LYS 4 1HE LYS 4 -6.873 23.731 -1.062 37 1HZ LYS 4 1HZ LYS 4 -6.560 24.361 -3.351 38 2HZ LYS 4 2HZ LYS 4 -7.473 25.555 -2.559 39 3HZ LYS 4 3HZ LYS 4 -8.235 24.451 -3.601 40 H GLY 5 H GLY 5 -8.947 16.983 -0.372 41 1HA GLY 5 2HA GLY 5 -9.105 14.834 -1.344 42 2HA GLY 5 1HA GLY 5 -7.675 15.218 -2.314 43 H SER 6 H SER 6 -6.660 16.154 0.535 44 HA SER 6 HA SER 6 -5.325 13.558 1.086 45 1HB SER 6 2HB SER 6 -3.670 14.783 2.161 46 2HB SER 6 1HB SER 6 -4.260 15.996 1.032 47 HG SER 6 HG SER 6 -5.842 16.160 3.079 48 H LYS 7 H LYS 7 -5.573 12.421 3.050 49 HA LYS 7 HA LYS 7 -7.620 13.515 4.952 50 1HB LYS 7 2HB LYS 7 -7.374 10.600 4.148 51 2HB LYS 7 1HB LYS 7 -8.621 11.321 5.166 52 1HG LYS 7 2HG LYS 7 -8.212 12.301 2.344 53 2HG LYS 7 1HG LYS 7 -9.162 10.853 2.652 54 1HD LYS 7 2HD LYS 7 -10.850 12.011 3.734 55 2HD LYS 7 1HD LYS 7 -9.769 13.287 4.287 56 1HE LYS 7 2HE LYS 7 -11.273 14.135 2.536 57 2HE LYS 7 1HE LYS 7 -9.602 14.145 1.974 58 1HZ LYS 7 1HZ LYS 7 -10.010 12.563 0.459 59 2HZ LYS 7 2HZ LYS 7 -11.628 13.051 0.623 60 3HZ LYS 7 3HZ LYS 7 -11.058 11.695 1.472 61 H ALA 8 H ALA 8 -7.041 13.336 7.095 62 HA ALA 8 HA ALA 8 -4.355 12.271 7.663 63 1HB ALA 8 1HB ALA 8 -6.389 13.774 9.318 64 2HB ALA 8 2HB ALA 8 -4.834 14.357 8.722 65 3HB ALA 8 3HB ALA 8 -4.889 13.143 10.001 66 H TYR 9 H TYR 9 -3.988 10.759 9.433 67 HA TYR 9 HA TYR 9 -6.124 9.256 10.640 68 1HB TYR 9 2HB TYR 9 -6.187 8.470 8.203 69 2HB TYR 9 1HB TYR 9 -4.603 7.752 8.498 70 HD1 TYR 9 1HD TYR 9 -8.192 7.609 9.306 71 HD2 TYR 9 2HD TYR 9 -4.334 5.864 10.029 72 HE1 TYR 9 1HE TYR 9 -9.277 5.646 10.362 73 HE2 TYR 9 2HE TYR 9 -5.420 3.901 11.086 74 HH TYR 9 HH TYR 9 -8.915 3.486 11.033 75 H GLY 10 H GLY 10 -5.273 7.978 12.312 76 1HA GLY 10 2HA GLY 10 -3.635 7.145 13.775 77 2HA GLY 10 1HA GLY 10 -2.580 6.992 12.368 78 H SER 11 H SER 11 -1.644 9.153 11.569 79 HA SER 11 HA SER 11 -1.540 11.443 13.262 80 1HB SER 11 2HB SER 11 0.896 11.020 14.050 81 2HB SER 11 1HB SER 11 -0.406 10.232 14.935 82 HG SER 11 HG SER 11 1.633 9.131 13.612 83 H HIS 12 H HIS 12 -1.528 10.680 10.397 84 HA HIS 12 HA HIS 12 0.666 12.461 9.566 85 1HB HIS 12 2HB HIS 12 0.311 9.767 8.234 86 2HB HIS 12 1HB HIS 12 1.602 10.935 7.978 87 HD1 HIS 12 1HD HIS 12 3.642 10.703 9.408 88 HD2 HIS 12 2HD HIS 12 0.416 8.556 10.939 89 HE1 HIS 12 1HE HIS 12 4.536 9.365 11.365 90 H CYS 13 H CYS 13 0.247 13.390 7.472 91 HA CYS 13 HA CYS 13 -2.610 13.345 6.739 92 1HB CYS 13 2HB CYS 13 -0.310 15.136 6.312 93 2HB CYS 13 1HB CYS 13 -1.327 14.958 4.883 94 H TYR 14 H TYR 14 -3.375 12.052 5.119 95 HA TYR 14 HA TYR 14 -1.371 10.658 3.427 96 1HB TYR 14 2HB TYR 14 -4.283 10.045 3.980 97 2HB TYR 14 1HB TYR 14 -3.251 9.102 2.907 98 HD1 TYR 14 1HD TYR 14 -3.296 10.467 6.405 99 HD2 TYR 14 2HD TYR 14 -2.060 7.291 3.789 100 HE1 TYR 14 1HE TYR 14 -2.422 9.206 8.347 101 HE2 TYR 14 2HE TYR 14 -1.186 6.031 5.740 102 HH TYR 14 HH TYR 14 -1.073 5.940 7.967 103 H ALA 15 H ALA 15 -1.501 10.712 1.165 104 HA ALA 15 HA ALA 15 -3.624 12.418 -0.042 105 1HB ALA 15 1HB ALA 15 -0.638 12.821 -0.254 106 2HB ALA 15 2HB ALA 15 -1.873 14.007 0.163 107 3HB ALA 15 3HB ALA 15 -1.738 13.420 -1.496 108 H LEU 16 H LEU 16 -4.241 11.723 -2.071 109 HA LEU 16 HA LEU 16 -3.005 9.183 -3.012 110 1HB LEU 16 2HB LEU 16 -5.369 8.990 -2.701 111 2HB LEU 16 1HB LEU 16 -5.672 10.520 -3.521 112 HG LEU 16 HG LEU 16 -4.903 9.554 -5.644 113 1HD1 LEU 16 1HD1 LEU 16 -3.261 7.964 -5.011 114 2HD1 LEU 16 2HD1 LEU 16 -4.594 6.992 -5.631 115 3HD1 LEU 16 3HD1 LEU 16 -4.358 7.157 -3.893 116 1HD2 LEU 16 1HD2 LEU 16 -6.702 7.742 -5.828 117 2HD2 LEU 16 2HD2 LEU 16 -7.247 9.323 -5.266 118 3HD2 LEU 16 3HD2 LEU 16 -7.001 8.012 -4.111 119 H PHE 17 H PHE 17 -1.884 9.119 -4.928 120 HA PHE 17 HA PHE 17 -1.990 11.526 -6.693 121 1HB PHE 17 2HB PHE 17 0.346 9.816 -5.815 122 2HB PHE 17 1HB PHE 17 0.416 10.786 -7.286 123 HD1 PHE 17 1HD PHE 17 0.052 10.905 -3.602 124 HD2 PHE 17 2HD PHE 17 0.565 13.192 -7.202 125 HE1 PHE 17 1HE PHE 17 0.573 12.919 -2.250 126 HE2 PHE 17 2HE PHE 17 1.087 15.204 -5.849 127 HZ PHE 17 HZ PHE 17 1.091 15.067 -3.374 128 H LEU 18 H LEU 18 -2.894 10.952 -8.597 129 HA LEU 18 HA LEU 18 -3.265 8.175 -9.336 130 1HB LEU 18 2HB LEU 18 -3.580 10.546 -11.190 131 2HB LEU 18 1HB LEU 18 -4.436 9.005 -11.237 132 HG LEU 18 HG LEU 18 -4.764 11.257 -9.249 133 1HD1 LEU 18 1HD1 LEU 18 -7.053 11.219 -9.974 134 2HD1 LEU 18 2HD1 LEU 18 -6.815 9.702 -10.842 135 3HD1 LEU 18 3HD1 LEU 18 -6.061 11.183 -11.432 136 1HD2 LEU 18 1HD2 LEU 18 -4.708 9.334 -7.848 137 2HD2 LEU 18 2HD2 LEU 18 -5.559 8.349 -9.033 138 3HD2 LEU 18 3HD2 LEU 18 -6.420 9.613 -8.157 139 H SER 19 H SER 19 -0.554 9.724 -9.098 140 HA SER 19 HA SER 19 0.518 9.183 -11.804 141 1HB SER 19 2HB SER 19 2.578 9.850 -9.917 142 2HB SER 19 1HB SER 19 2.007 10.773 -11.303 143 HG SER 19 HG SER 19 0.558 11.796 -10.037 144 HA PRO 20 HA PRO 20 1.588 5.031 -10.439 145 1HB PRO 20 2HB PRO 20 3.289 4.733 -12.730 146 2HB PRO 20 1HB PRO 20 1.668 4.077 -12.484 147 1HG PRO 20 2HG PRO 20 2.467 6.216 -14.230 148 2HG PRO 20 1HG PRO 20 0.851 5.540 -14.005 149 1HD PRO 20 2HD PRO 20 1.836 8.094 -13.138 150 2HD PRO 20 1HD PRO 20 0.211 7.404 -12.893 151 H LYS 21 H LYS 21 3.476 4.033 -9.507 152 HA LYS 21 HA LYS 21 6.119 5.215 -9.899 153 1HB LYS 21 2HB LYS 21 4.555 5.729 -7.366 154 2HB LYS 21 1HB LYS 21 6.319 5.704 -7.360 155 1HG LYS 21 2HG LYS 21 6.086 7.376 -9.373 156 2HG LYS 21 1HG LYS 21 4.459 7.626 -8.738 157 1HD LYS 21 2HD LYS 21 5.552 8.026 -6.466 158 2HD LYS 21 1HD LYS 21 7.090 8.099 -7.326 159 1HE LYS 21 2HE LYS 21 6.020 9.863 -8.825 160 2HE LYS 21 1HE LYS 21 4.693 9.913 -7.665 161 1HZ LYS 21 1HZ LYS 21 7.537 10.303 -6.921 162 2HZ LYS 21 2HZ LYS 21 6.170 10.569 -5.948 163 3HZ LYS 21 3HZ LYS 21 6.481 11.581 -7.279 164 H SER 22 H SER 22 7.542 3.528 -9.678 165 HA SER 22 HA SER 22 6.833 0.904 -9.018 166 1HB SER 22 2HB SER 22 8.966 1.268 -10.032 167 2HB SER 22 1HB SER 22 9.475 2.344 -8.734 168 HG SER 22 HG SER 22 10.345 0.252 -8.480 169 H TRP 23 H TRP 23 6.956 -0.332 -7.055 170 HA TRP 23 HA TRP 23 6.110 0.999 -4.690 171 1HB TRP 23 2HB TRP 23 5.792 -1.432 -5.031 172 2HB TRP 23 1HB TRP 23 7.536 -1.673 -4.917 173 HD1 TRP 23 HD TRP 23 4.452 -1.236 -2.838 174 HE1 TRP 23 1HE TRP 23 5.070 -1.279 -0.336 175 HE3 TRP 23 3HE TRP 23 9.543 -0.973 -3.176 176 HZ2 TRP 23 2HZ TRP 23 7.410 -1.212 1.306 177 HZ3 TRP 23 3HZ TRP 23 10.940 -0.965 -1.130 178 HH2 TRP 23 HH TRP 23 9.881 -1.084 1.109 179 H THR 24 H THR 24 9.205 0.561 -6.097 180 HA THR 24 HA THR 24 10.648 1.196 -3.593 181 HB THR 24 HB THR 24 11.464 -0.470 -5.359 182 HG1 THR 24 1HG THR 24 12.984 0.103 -3.958 183 1HG2 THR 24 1HG2 THR 24 10.960 1.525 -7.134 184 2HG2 THR 24 2HG2 THR 24 12.113 0.227 -7.438 185 3HG2 THR 24 3HG2 THR 24 12.679 1.788 -6.845 186 H ASP 25 H ASP 25 9.325 2.732 -6.330 187 HA ASP 25 HA ASP 25 11.024 5.130 -6.151 188 1HB ASP 25 2HB ASP 25 10.293 4.462 -8.367 189 2HB ASP 25 1HB ASP 25 8.605 4.462 -7.851 190 H ALA 26 H ALA 26 7.647 4.184 -5.479 191 HA ALA 26 HA ALA 26 6.955 6.820 -4.475 192 1HB ALA 26 1HB ALA 26 5.370 4.991 -5.382 193 2HB ALA 26 2HB ALA 26 4.862 5.847 -3.930 194 3HB ALA 26 3HB ALA 26 5.562 4.231 -3.807 195 H ASP 27 H ASP 27 8.248 3.821 -3.248 196 HA ASP 27 HA ASP 27 7.906 4.301 -0.458 197 1HB ASP 27 2HB ASP 27 8.531 2.114 -1.222 198 2HB ASP 27 1HB ASP 27 9.960 2.745 -2.039 199 H LEU 28 H LEU 28 10.537 5.141 -2.706 200 HA LEU 28 HA LEU 28 12.143 6.411 -0.651 201 1HB LEU 28 2HB LEU 28 12.226 6.262 -3.648 202 2HB LEU 28 1HB LEU 28 13.216 7.466 -2.829 203 HG LEU 28 HG LEU 28 13.266 4.604 -1.893 204 1HD1 LEU 28 1HD1 LEU 28 13.731 4.313 -4.214 205 2HD1 LEU 28 2HD1 LEU 28 15.307 4.372 -3.423 206 3HD1 LEU 28 3HD1 LEU 28 14.696 5.787 -4.280 207 1HD2 LEU 28 1HD2 LEU 28 15.240 6.910 -1.894 208 2HD2 LEU 28 2HD2 LEU 28 15.618 5.288 -1.319 209 3HD2 LEU 28 3HD2 LEU 28 14.392 6.251 -0.497 210 H ALA 29 H ALA 29 9.976 7.647 -3.208 211 HA ALA 29 HA ALA 29 10.370 10.417 -2.586 212 1HB ALA 29 1HB ALA 29 8.202 10.741 -3.798 213 2HB ALA 29 2HB ALA 29 8.024 8.985 -3.860 214 3HB ALA 29 3HB ALA 29 9.367 9.765 -4.696 215 H CYS 30 H CYS 30 7.654 8.233 -1.662 216 HA CYS 30 HA CYS 30 6.413 10.146 0.051 217 1HB CYS 30 2HB CYS 30 5.366 8.003 -0.762 218 2HB CYS 30 1HB CYS 30 6.384 7.131 0.381 219 H GLN 31 H GLN 31 9.254 8.220 0.389 220 HA GLN 31 HA GLN 31 9.352 8.409 3.311 221 1HB GLN 31 2HB GLN 31 10.478 6.516 2.305 222 2HB GLN 31 1HB GLN 31 11.400 7.573 1.238 223 1HG GLN 31 2HG GLN 31 12.678 8.453 3.049 224 2HG GLN 31 1HG GLN 31 11.581 7.768 4.249 225 1HE2 GLN 31 1HE2 GLN 31 13.377 6.548 5.233 226 2HE2 GLN 31 2HE2 GLN 31 14.008 5.170 4.468 227 H LYS 32 H LYS 32 10.558 10.138 0.517 228 HA LYS 32 HA LYS 32 12.440 11.802 1.847 229 1HB LYS 32 2HB LYS 32 12.482 11.709 -0.551 230 2HB LYS 32 1HB LYS 32 10.789 12.186 -0.659 231 1HG LYS 32 2HG LYS 32 11.243 14.410 -0.037 232 2HG LYS 32 1HG LYS 32 12.810 13.996 0.653 233 1HD LYS 32 2HD LYS 32 12.159 13.756 -2.299 234 2HD LYS 32 1HD LYS 32 12.932 15.168 -1.584 235 1HE LYS 32 2HE LYS 32 14.555 13.254 -0.587 236 2HE LYS 32 1HE LYS 32 14.043 12.448 -2.070 237 1HZ LYS 32 1HZ LYS 32 15.129 15.206 -1.955 238 2HZ LYS 32 2HZ LYS 32 14.769 14.308 -3.352 239 3HZ LYS 32 3HZ LYS 32 16.048 13.834 -2.339 240 H ARG 33 H ARG 33 9.184 11.519 2.359 241 HA ARG 33 HA ARG 33 8.698 14.382 2.913 242 1HB ARG 33 2HB ARG 33 7.035 11.936 2.623 243 2HB ARG 33 1HB ARG 33 6.432 13.155 3.741 244 1HG ARG 33 2HG ARG 33 6.720 14.867 1.908 245 2HG ARG 33 1HG ARG 33 7.111 13.542 0.812 246 1HD ARG 33 2HD ARG 33 4.857 12.516 1.662 247 2HD ARG 33 1HD ARG 33 4.498 14.169 2.161 248 HE ARG 33 HE ARG 33 5.353 13.723 -0.650 249 1HH1 ARG 33 1HH2 ARG 33 2.502 12.988 0.684 250 2HH1 ARG 33 2HH2 ARG 33 1.572 14.267 -0.022 251 1HH2 ARG 33 1HH1 ARG 33 4.344 16.023 -1.140 252 2HH2 ARG 33 2HH1 ARG 33 2.615 15.987 -1.055 253 HA PRO 34 HA PRO 34 9.537 14.473 7.212 254 1HB PRO 34 2HB PRO 34 6.824 14.968 8.084 255 2HB PRO 34 1HB PRO 34 8.162 16.114 7.955 256 1HG PRO 34 2HG PRO 34 5.881 15.747 6.167 257 2HG PRO 34 1HG PRO 34 7.044 17.076 6.228 258 1HD PRO 34 2HD PRO 34 6.908 15.184 4.190 259 2HD PRO 34 1HD PRO 34 8.348 16.162 4.560 260 H SER 35 H SER 35 9.907 12.128 7.125 261 HA SER 35 HA SER 35 9.614 9.989 8.016 262 1HB SER 35 2HB SER 35 8.507 9.819 10.049 263 2HB SER 35 1HB SER 35 8.720 11.566 9.973 264 HG SER 35 HG SER 35 6.444 10.033 9.780 265 H GLY 36 H GLY 36 7.924 11.261 5.728 266 1HA GLY 36 2HA GLY 36 5.445 9.786 5.728 267 2HA GLY 36 1HA GLY 36 6.179 10.547 4.317 268 H ASN 37 H ASN 37 5.148 8.329 3.576 269 HA ASN 37 HA ASN 37 7.039 6.659 2.463 270 1HB ASN 37 2HB ASN 37 6.661 6.050 5.345 271 2HB ASN 37 1HB ASN 37 6.523 4.657 4.275 272 1HD2 ASN 37 1HD2 ASN 37 8.783 6.496 5.979 273 2HD2 ASN 37 2HD2 ASN 37 10.174 6.058 5.108 274 H LEU 38 H LEU 38 5.972 5.091 1.185 275 HA LEU 38 HA LEU 38 3.466 5.177 0.327 276 1HB LEU 38 2HB LEU 38 4.954 2.698 1.170 277 2HB LEU 38 1HB LEU 38 3.395 2.603 0.355 278 HG LEU 38 HG LEU 38 5.696 4.215 -0.741 279 1HD1 LEU 38 1HD1 LEU 38 6.319 1.794 -0.502 280 2HD1 LEU 38 2HD1 LEU 38 6.251 2.340 -2.177 281 3HD1 LEU 38 3HD1 LEU 38 4.928 1.385 -1.507 282 1HD2 LEU 38 1HD2 LEU 38 2.934 3.755 -1.468 283 2HD2 LEU 38 2HD2 LEU 38 4.000 3.194 -2.750 284 3HD2 LEU 38 3HD2 LEU 38 4.102 4.859 -2.177 285 H VAL 39 H VAL 39 1.390 5.005 1.043 286 HA VAL 39 HA VAL 39 0.565 5.354 3.626 287 HB VAL 39 HB VAL 39 -1.059 5.483 1.907 288 1HG1 VAL 39 1HG1 VAL 39 -1.755 3.362 0.677 289 2HG1 VAL 39 2HG1 VAL 39 -0.312 2.605 1.351 290 3HG1 VAL 39 3HG1 VAL 39 -0.160 3.988 0.268 291 1HG2 VAL 39 1HG2 VAL 39 -1.848 2.932 3.322 292 2HG2 VAL 39 2HG2 VAL 39 -2.881 4.272 2.825 293 3HG2 VAL 39 3HG2 VAL 39 -1.769 4.471 4.177 294 H SER 40 H SER 40 0.054 4.119 5.406 295 HA SER 40 HA SER 40 1.081 1.307 5.403 296 1HB SER 40 2HB SER 40 2.235 2.251 7.155 297 2HB SER 40 1HB SER 40 1.030 3.513 7.399 298 HG SER 40 HG SER 40 -0.022 2.251 8.734 299 H VAL 41 H VAL 41 -0.203 -0.193 6.906 300 HA VAL 41 HA VAL 41 -3.040 0.552 7.270 301 HB VAL 41 HB VAL 41 -2.598 -2.024 5.813 302 1HG1 VAL 41 1HG1 VAL 41 -4.816 -1.061 6.701 303 2HG1 VAL 41 2HG1 VAL 41 -4.790 -1.664 5.044 304 3HG1 VAL 41 3HG1 VAL 41 -4.710 0.071 5.353 305 1HG2 VAL 41 1HG2 VAL 41 -1.232 -0.361 4.531 306 2HG2 VAL 41 2HG2 VAL 41 -2.664 0.656 4.391 307 3HG2 VAL 41 3HG2 VAL 41 -2.634 -0.931 3.628 308 H LEU 42 H LEU 42 -2.565 0.211 9.526 309 HA LEU 42 HA LEU 42 -1.970 -2.629 10.286 310 1HB LEU 42 2HB LEU 42 -1.421 -0.009 11.685 311 2HB LEU 42 1HB LEU 42 -1.355 -1.555 12.530 312 HG LEU 42 HG LEU 42 0.243 -0.857 10.053 313 1HD1 LEU 42 1HD1 LEU 42 1.129 0.420 11.871 314 2HD1 LEU 42 2HD1 LEU 42 2.163 -1.004 11.745 315 3HD1 LEU 42 3HD1 LEU 42 0.929 -0.919 13.000 316 1HD2 LEU 42 1HD2 LEU 42 0.189 -3.162 9.950 317 2HD2 LEU 42 2HD2 LEU 42 -0.158 -3.340 11.666 318 3HD2 LEU 42 3HD2 LEU 42 1.485 -3.000 11.130 319 H SER 43 H SER 43 -4.647 -0.929 9.823 320 HA SER 43 HA SER 43 -5.962 -2.133 12.216 321 1HB SER 43 2HB SER 43 -6.419 0.700 11.236 322 2HB SER 43 1HB SER 43 -7.322 -0.096 12.523 323 HG SER 43 HG SER 43 -4.836 1.044 12.549 324 H GLY 44 H GLY 44 -8.115 -2.777 11.864 325 1HA GLY 44 2HA GLY 44 -8.809 -3.500 9.179 326 2HA GLY 44 1HA GLY 44 -9.897 -3.587 10.565 327 H ALA 45 H ALA 45 -9.359 -0.650 11.087 328 HA ALA 45 HA ALA 45 -11.516 0.359 9.374 329 1HB ALA 45 1HB ALA 45 -11.192 2.459 10.707 330 2HB ALA 45 2HB ALA 45 -9.850 1.677 11.541 331 3HB ALA 45 3HB ALA 45 -11.486 1.041 11.714 332 H GLU 46 H GLU 46 -8.025 0.701 9.692 333 HA GLU 46 HA GLU 46 -7.766 2.925 7.869 334 1HB GLU 46 2HB GLU 46 -5.996 2.253 9.499 335 2HB GLU 46 1HB GLU 46 -5.724 0.788 8.555 336 1HG GLU 46 2HG GLU 46 -4.950 2.018 6.672 337 2HG GLU 46 1HG GLU 46 -5.570 3.539 7.314 338 H GLY 47 H GLY 47 -7.649 -0.611 7.499 339 1HA GLY 47 2HA GLY 47 -6.860 -0.678 4.767 340 2HA GLY 47 1HA GLY 47 -7.822 -1.928 5.559 341 H SER 48 H SER 48 -9.999 -0.135 6.283 342 HA SER 48 HA SER 48 -11.413 -0.155 3.712 343 1HB SER 48 2HB SER 48 -12.678 -0.887 5.627 344 2HB SER 48 1HB SER 48 -12.247 0.560 6.534 345 HG SER 48 HG SER 48 -14.010 0.247 4.364 346 H PHE 49 H PHE 49 -10.014 2.194 5.925 347 HA PHE 49 HA PHE 49 -11.234 4.515 4.713 348 1HB PHE 49 2HB PHE 49 -10.082 4.317 7.024 349 2HB PHE 49 1HB PHE 49 -8.570 4.510 6.138 350 HD1 PHE 49 1HD PHE 49 -7.752 6.681 5.889 351 HD2 PHE 49 2HD PHE 49 -11.988 6.069 6.274 352 HE1 PHE 49 1HE PHE 49 -8.113 9.132 5.820 353 HE2 PHE 49 2HE PHE 49 -12.346 8.522 6.205 354 HZ PHE 49 HZ PHE 49 -10.411 10.053 5.979 355 H VAL 50 H VAL 50 -7.984 3.044 4.385 356 HA VAL 50 HA VAL 50 -7.076 4.836 2.354 357 HB VAL 50 HB VAL 50 -6.297 1.928 2.738 358 1HG1 VAL 50 1HG1 VAL 50 -4.174 2.666 1.698 359 2HG1 VAL 50 2HG1 VAL 50 -4.852 4.280 1.478 360 3HG1 VAL 50 3HG1 VAL 50 -5.541 2.908 0.609 361 1HG2 VAL 50 1HG2 VAL 50 -4.618 2.702 4.269 362 2HG2 VAL 50 2HG2 VAL 50 -6.132 3.440 4.790 363 3HG2 VAL 50 3HG2 VAL 50 -4.955 4.390 3.884 364 H SER 51 H SER 51 -9.033 1.914 2.269 365 HA SER 51 HA SER 51 -8.931 1.493 -0.569 366 1HB SER 51 2HB SER 51 -9.800 -0.338 0.594 367 2HB SER 51 1HB SER 51 -10.793 0.673 1.639 368 HG SER 51 HG SER 51 -11.304 0.783 -1.091 369 H SER 52 H SER 52 -11.391 3.109 1.477 370 HA SER 52 HA SER 52 -12.989 4.038 -0.700 371 1HB SER 52 2HB SER 52 -14.001 4.132 1.436 372 2HB SER 52 1HB SER 52 -12.621 4.963 2.148 373 HG SER 52 HG SER 52 -13.522 6.407 0.106 374 H LEU 53 H LEU 53 -9.974 5.167 0.600 375 HA LEU 53 HA LEU 53 -10.161 7.861 -0.481 376 1HB LEU 53 2HB LEU 53 -8.656 7.670 1.317 377 2HB LEU 53 1HB LEU 53 -7.980 6.163 0.714 378 HG LEU 53 HG LEU 53 -6.971 7.439 -1.200 379 1HD1 LEU 53 1HD1 LEU 53 -7.946 9.820 0.419 380 2HD1 LEU 53 2HD1 LEU 53 -8.524 9.359 -1.181 381 3HD1 LEU 53 3HD1 LEU 53 -6.864 9.914 -0.970 382 1HD2 LEU 53 1HD2 LEU 53 -6.217 8.475 1.552 383 2HD2 LEU 53 2HD2 LEU 53 -5.173 8.424 0.132 384 3HD2 LEU 53 3HD2 LEU 53 -5.706 6.922 0.889 385 H VAL 54 H VAL 54 -9.220 4.735 -1.686 386 HA VAL 54 HA VAL 54 -8.308 6.026 -4.232 387 HB VAL 54 HB VAL 54 -6.819 4.129 -4.554 388 1HG1 VAL 54 1HG1 VAL 54 -6.506 4.989 -1.672 389 2HG1 VAL 54 2HG1 VAL 54 -6.221 6.104 -3.008 390 3HG1 VAL 54 3HG1 VAL 54 -5.241 4.648 -2.852 391 1HG2 VAL 54 1HG2 VAL 54 -7.994 2.287 -3.614 392 2HG2 VAL 54 2HG2 VAL 54 -8.204 3.107 -2.068 393 3HG2 VAL 54 3HG2 VAL 54 -6.613 2.514 -2.541 394 H LYS 55 H LYS 55 -11.012 4.864 -3.168 395 HA LYS 55 HA LYS 55 -11.478 2.692 -5.111 396 1HB LYS 55 2HB LYS 55 -12.491 2.847 -2.736 397 2HB LYS 55 1HB LYS 55 -13.582 4.048 -3.422 398 1HG LYS 55 2HG LYS 55 -13.822 2.097 -5.294 399 2HG LYS 55 1HG LYS 55 -13.470 1.109 -3.878 400 1HD LYS 55 2HD LYS 55 -15.652 3.214 -4.015 401 2HD LYS 55 1HD LYS 55 -15.912 1.478 -4.192 402 1HE LYS 55 2HE LYS 55 -15.064 1.080 -1.938 403 2HE LYS 55 1HE LYS 55 -14.673 2.789 -1.754 404 1HZ LYS 55 1HZ LYS 55 -16.921 1.811 -0.874 405 2HZ LYS 55 2HZ LYS 55 -17.415 2.068 -2.480 406 3HZ LYS 55 3HZ LYS 55 -16.848 3.368 -1.543 407 H SER 56 H SER 56 -11.481 6.051 -5.203 408 HA SER 56 HA SER 56 -13.528 6.091 -7.393 409 1HB SER 56 2HB SER 56 -14.163 7.569 -5.577 410 2HB SER 56 1HB SER 56 -12.558 8.296 -5.556 411 HG SER 56 HG SER 56 -14.538 9.203 -6.862 412 H ILE 57 H ILE 57 -10.559 5.418 -7.488 413 HA ILE 57 HA ILE 57 -9.198 7.603 -8.743 414 HB ILE 57 HB ILE 57 -7.974 5.730 -7.804 415 1HG1 ILE 57 2HG1 ILE 57 -7.710 5.597 -10.815 416 2HG1 ILE 57 1HG1 ILE 57 -7.099 6.939 -9.851 417 1HG2 ILE 57 1HG2 ILE 57 -8.243 3.496 -8.463 418 2HG2 ILE 57 2HG2 ILE 57 -8.992 3.933 -9.997 419 3HG2 ILE 57 3HG2 ILE 57 -9.900 4.093 -8.495 420 1HD1 ILE 57 1HD1 ILE 57 -6.370 4.063 -9.283 421 2HD1 ILE 57 2HD1 ILE 57 -5.607 5.517 -8.643 422 3HD1 ILE 57 3HD1 ILE 57 -5.415 5.097 -10.345 423 H GLY 58 H GLY 58 -10.693 4.670 -10.174 424 1HA GLY 58 2HA GLY 58 -12.236 5.445 -12.166 425 2HA GLY 58 1HA GLY 58 -10.712 6.059 -12.810 426 H ASN 59 H ASN 59 -12.290 4.024 -14.075 427 HA ASN 59 HA ASN 59 -11.418 1.391 -13.539 428 1HB ASN 59 2HB ASN 59 -13.310 1.790 -15.000 429 2HB ASN 59 1HB ASN 59 -12.292 2.676 -16.136 430 1HD2 ASN 59 1HD2 ASN 59 -10.237 1.240 -16.829 431 2HD2 ASN 59 2HD2 ASN 59 -10.605 -0.363 -17.248 432 H SER 60 H SER 60 -9.853 4.035 -15.217 433 HA SER 60 HA SER 60 -7.929 2.523 -16.697 434 1HB SER 60 2HB SER 60 -8.242 4.890 -17.146 435 2HB SER 60 1HB SER 60 -7.769 5.306 -15.501 436 HG SER 60 HG SER 60 -5.721 4.272 -16.021 437 H TYR 61 H TYR 61 -8.421 2.259 -13.527 438 HA TYR 61 HA TYR 61 -5.716 1.288 -13.003 439 1HB TYR 61 2HB TYR 61 -6.843 3.659 -11.502 440 2HB TYR 61 1HB TYR 61 -5.456 2.717 -10.953 441 HD1 TYR 61 1HD TYR 61 -6.383 5.591 -12.728 442 HD2 TYR 61 2HD TYR 61 -3.634 2.292 -12.908 443 HE1 TYR 61 1HE TYR 61 -4.897 6.909 -14.213 444 HE2 TYR 61 2HE TYR 61 -2.151 3.612 -14.393 445 HH TYR 61 HH TYR 61 -1.958 5.479 -15.610 446 H SER 62 H SER 62 -6.025 -0.550 -11.862 447 HA SER 62 HA SER 62 -8.514 -0.783 -10.213 448 1HB SER 62 2HB SER 62 -7.943 -3.329 -10.574 449 2HB SER 62 1HB SER 62 -8.741 -2.422 -11.854 450 HG SER 62 HG SER 62 -6.984 -2.539 -13.024 451 H TYR 63 H TYR 63 -5.018 -1.316 -10.284 452 HA TYR 63 HA TYR 63 -5.185 -2.174 -7.421 453 1HB TYR 63 2HB TYR 63 -3.122 -2.630 -9.563 454 2HB TYR 63 1HB TYR 63 -2.759 -2.880 -7.854 455 HD1 TYR 63 1HD TYR 63 -5.451 -3.709 -10.341 456 HD2 TYR 63 2HD TYR 63 -3.119 -5.008 -6.977 457 HE1 TYR 63 1HE TYR 63 -6.555 -5.926 -10.429 458 HE2 TYR 63 2HE TYR 63 -4.219 -7.227 -7.070 459 HH TYR 63 HH TYR 63 -6.633 -8.039 -8.034 460 H VAL 64 H VAL 64 -3.431 -1.385 -6.001 461 HA VAL 64 HA VAL 64 -2.311 1.271 -6.776 462 HB VAL 64 HB VAL 64 -3.970 0.719 -4.295 463 1HG1 VAL 64 1HG1 VAL 64 -1.993 2.373 -4.149 464 2HG1 VAL 64 2HG1 VAL 64 -3.577 2.934 -3.619 465 3HG1 VAL 64 3HG1 VAL 64 -2.963 3.402 -5.203 466 1HG2 VAL 64 1HG2 VAL 64 -4.510 2.325 -6.800 467 2HG2 VAL 64 2HG2 VAL 64 -5.487 2.437 -5.338 468 3HG2 VAL 64 3HG2 VAL 64 -5.403 0.917 -6.224 469 H TRP 65 H TRP 65 -0.358 1.742 -5.668 470 HA TRP 65 HA TRP 65 0.943 -0.579 -4.431 471 1HB TRP 65 2HB TRP 65 1.776 2.000 -5.582 472 2HB TRP 65 1HB TRP 65 2.721 1.522 -4.185 473 HD1 TRP 65 HD TRP 65 3.525 1.637 -7.372 474 HE1 TRP 65 1HE TRP 65 4.723 -0.414 -8.354 475 HE3 TRP 65 3HE TRP 65 2.200 -1.914 -3.926 476 HZ2 TRP 65 2HZ TRP 65 5.043 -3.180 -7.788 477 HZ3 TRP 65 3HZ TRP 65 2.969 -4.246 -4.195 478 HH2 TRP 65 HH TRP 65 4.389 -4.886 -6.114 479 H ILE 66 H ILE 66 1.701 -0.656 -2.246 480 HA ILE 66 HA ILE 66 0.999 1.679 -0.524 481 HB ILE 66 HB ILE 66 0.183 0.075 1.244 482 1HG1 ILE 66 2HG1 ILE 66 0.258 -1.869 -1.078 483 2HG1 ILE 66 1HG1 ILE 66 1.175 -1.992 0.423 484 1HG2 ILE 66 1HG2 ILE 66 -2.034 -0.029 0.368 485 2HG2 ILE 66 2HG2 ILE 66 -1.446 -0.145 -1.291 486 3HG2 ILE 66 3HG2 ILE 66 -1.292 1.372 -0.406 487 1HD1 ILE 66 1HD1 ILE 66 -1.083 -1.974 1.633 488 2HD1 ILE 66 2HD1 ILE 66 -0.713 -3.432 0.712 489 3HD1 ILE 66 3HD1 ILE 66 -1.819 -2.229 0.051 490 H GLY 67 H GLY 67 2.046 1.109 1.804 491 1HA GLY 67 2HA GLY 67 4.855 0.568 1.217 492 2HA GLY 67 1HA GLY 67 4.210 1.163 2.746 493 H LEU 68 H LEU 68 3.764 -1.802 0.784 494 HA LEU 68 HA LEU 68 4.472 -3.348 3.246 495 1HB LEU 68 2HB LEU 68 1.962 -3.358 2.481 496 2HB LEU 68 1HB LEU 68 2.541 -4.422 1.207 497 HG LEU 68 HG LEU 68 1.936 -5.958 2.868 498 1HD1 LEU 68 1HD1 LEU 68 3.945 -6.885 3.817 499 2HD1 LEU 68 2HD1 LEU 68 4.784 -5.352 3.690 500 3HD1 LEU 68 3HD1 LEU 68 4.351 -6.245 2.231 501 1HD2 LEU 68 1HD2 LEU 68 1.296 -4.723 4.713 502 2HD2 LEU 68 2HD2 LEU 68 2.793 -3.794 4.746 503 3HD2 LEU 68 3HD2 LEU 68 2.775 -5.456 5.326 504 H HIS 69 H HIS 69 6.131 -4.779 2.904 505 HA HIS 69 HA HIS 69 6.624 -5.720 0.128 506 1HB HIS 69 2HB HIS 69 8.957 -5.181 0.212 507 2HB HIS 69 1HB HIS 69 8.080 -3.712 0.645 508 HD1 HIS 69 1HD HIS 69 10.746 -5.845 1.825 509 HD2 HIS 69 2HD HIS 69 7.824 -3.506 3.642 510 HE1 HIS 69 1HE HIS 69 11.491 -5.502 4.222 511 H ASP 70 H ASP 70 8.631 -7.301 0.346 512 HA ASP 70 HA ASP 70 7.912 -9.209 2.532 513 1HB ASP 70 2HB ASP 70 7.558 -9.988 0.186 514 2HB ASP 70 1HB ASP 70 9.285 -9.782 -0.106 515 HA PRO 71 HA PRO 71 12.112 -7.708 3.674 516 1HB PRO 71 2HB PRO 71 11.651 -8.851 6.281 517 2HB PRO 71 1HB PRO 71 11.719 -7.146 5.832 518 1HG PRO 71 2HG PRO 71 9.428 -8.639 6.601 519 2HG PRO 71 1HG PRO 71 9.486 -6.964 6.050 520 1HD PRO 71 2HD PRO 71 8.485 -9.295 4.634 521 2HD PRO 71 1HD PRO 71 8.420 -7.586 4.142 522 H THR 72 H THR 72 10.858 -10.668 3.028 523 HA THR 72 HA THR 72 13.085 -12.263 4.154 524 HB THR 72 HB THR 72 11.882 -14.190 3.245 525 HG1 THR 72 1HG THR 72 11.160 -12.881 1.372 526 1HG2 THR 72 1HG2 THR 72 10.495 -12.156 4.912 527 2HG2 THR 72 2HG2 THR 72 10.869 -13.841 5.271 528 3HG2 THR 72 3HG2 THR 72 9.483 -13.442 4.256 529 H GLN 73 H GLN 73 12.041 -10.821 1.136 530 HA GLN 73 HA GLN 73 13.024 -10.831 -1.001 531 1HB GLN 73 2HB GLN 73 15.400 -10.993 0.864 532 2HB GLN 73 1HB GLN 73 15.583 -10.820 -0.881 533 1HG GLN 73 2HG GLN 73 14.175 -8.774 -0.806 534 2HG GLN 73 1HG GLN 73 14.073 -8.930 0.949 535 1HE2 GLN 73 1HE2 GLN 73 17.106 -10.002 -0.209 536 2HE2 GLN 73 2HE2 GLN 73 17.994 -8.594 0.121 537 H GLY 74 H GLY 74 12.045 -13.380 -0.202 538 1HA GLY 74 2HA GLY 74 12.150 -15.473 -1.362 539 2HA GLY 74 1HA GLY 74 13.797 -15.090 -1.861 540 H THR 75 H THR 75 12.311 -15.187 1.392 541 HA THR 75 HA THR 75 13.898 -17.565 2.092 542 HB THR 75 HB THR 75 14.988 -16.403 4.025 543 HG1 THR 75 1HG THR 75 14.467 -14.424 4.411 544 1HG2 THR 75 1HG2 THR 75 16.789 -15.503 2.749 545 2HG2 THR 75 2HG2 THR 75 15.721 -15.065 1.416 546 3HG2 THR 75 3HG2 THR 75 16.078 -16.762 1.740 547 H GLU 76 H GLU 76 11.406 -17.950 2.170 548 HA GLU 76 HA GLU 76 10.613 -17.794 5.001 549 1HB GLU 76 2HB GLU 76 8.301 -16.907 4.225 550 2HB GLU 76 1HB GLU 76 9.622 -15.749 4.380 551 1HG GLU 76 2HG GLU 76 10.003 -15.712 2.028 552 2HG GLU 76 1HG GLU 76 9.007 -17.144 1.771 553 HA PRO 77 HA PRO 77 9.416 -21.650 2.658 554 1HB PRO 77 2HB PRO 77 10.144 -23.121 5.027 555 2HB PRO 77 1HB PRO 77 10.935 -23.129 3.449 556 1HG PRO 77 2HG PRO 77 11.920 -21.989 5.866 557 2HG PRO 77 1HG PRO 77 12.653 -21.902 4.262 558 1HD PRO 77 2HD PRO 77 11.304 -19.796 5.754 559 2HD PRO 77 1HD PRO 77 12.184 -19.669 4.211 560 H ASN 78 H ASN 78 7.775 -19.767 4.320 561 HA ASN 78 HA ASN 78 5.663 -21.683 5.038 562 1HB ASN 78 2HB ASN 78 6.744 -19.738 7.102 563 2HB ASN 78 1HB ASN 78 5.394 -20.851 7.321 564 1HD2 ASN 78 1HD2 ASN 78 8.921 -20.659 7.039 565 2HD2 ASN 78 2HD2 ASN 78 9.224 -22.249 7.549 566 H GLY 79 H GLY 79 6.788 -18.338 4.793 567 1HA GLY 79 2HA GLY 79 5.589 -16.646 3.561 568 2HA GLY 79 1HA GLY 79 4.110 -17.590 3.749 569 H GLU 80 H GLU 80 6.521 -15.916 5.808 570 HA GLU 80 HA GLU 80 4.353 -14.479 7.171 571 1HB GLU 80 2HB GLU 80 6.051 -16.548 8.592 572 2HB GLU 80 1HB GLU 80 5.144 -15.296 9.440 573 1HG GLU 80 2HG GLU 80 3.089 -16.141 8.143 574 2HG GLU 80 1HG GLU 80 4.069 -17.552 7.742 575 H GLY 81 H GLY 81 5.905 -12.976 5.895 576 1HA GLY 81 2HA GLY 81 7.895 -11.923 7.840 577 2HA GLY 81 1HA GLY 81 8.438 -12.249 6.193 578 H TRP 82 H TRP 82 5.963 -11.468 4.923 579 HA TRP 82 HA TRP 82 6.262 -8.960 4.045 580 1HB TRP 82 2HB TRP 82 3.523 -8.903 4.670 581 2HB TRP 82 1HB TRP 82 4.246 -9.515 3.184 582 HD1 TRP 82 HD TRP 82 5.059 -12.196 3.342 583 HE1 TRP 82 1HE TRP 82 3.810 -14.160 4.449 584 HE3 TRP 82 3HE TRP 82 1.939 -9.614 6.451 585 HZ2 TRP 82 2HZ TRP 82 1.758 -14.579 6.397 586 HZ3 TRP 82 3HZ TRP 82 0.349 -10.818 7.920 587 HH2 TRP 82 HH TRP 82 0.253 -13.296 7.897 588 H GLU 83 H GLU 83 6.743 -7.018 4.993 589 HA GLU 83 HA GLU 83 5.315 -6.343 7.539 590 1HB GLU 83 2HB GLU 83 7.848 -7.136 7.709 591 2HB GLU 83 1HB GLU 83 8.170 -5.485 7.181 592 1HG GLU 83 2HG GLU 83 6.892 -4.589 9.052 593 2HG GLU 83 1HG GLU 83 6.425 -6.215 9.552 594 H TRP 84 H TRP 84 4.938 -4.057 7.801 595 HA TRP 84 HA TRP 84 4.699 -2.627 5.308 596 1HB TRP 84 2HB TRP 84 4.492 -1.352 8.017 597 2HB TRP 84 1HB TRP 84 3.588 -0.975 6.547 598 HD1 TRP 84 HD TRP 84 3.830 -3.616 9.310 599 HE1 TRP 84 1HE TRP 84 1.639 -4.965 9.365 600 HE3 TRP 84 3HE TRP 84 1.502 -1.678 5.203 601 HZ2 TRP 84 2HZ TRP 84 -0.778 -5.200 7.865 602 HZ3 TRP 84 3HZ TRP 84 -0.741 -2.493 4.535 603 HH2 TRP 84 HH TRP 84 -1.885 -4.244 5.862 604 H SER 85 H SER 85 5.959 -0.892 4.574 605 HA SER 85 HA SER 85 8.671 -0.898 5.632 606 1HB SER 85 2HB SER 85 8.622 -0.734 3.286 607 2HB SER 85 1HB SER 85 7.332 0.464 3.311 608 HG SER 85 HG SER 85 10.055 0.771 4.032 609 H SER 86 H SER 86 6.022 0.689 6.717 610 HA SER 86 HA SER 86 7.715 2.595 8.143 611 1HB SER 86 2HB SER 86 7.410 3.998 6.268 612 2HB SER 86 1HB SER 86 5.736 3.491 6.051 613 HG SER 86 HG SER 86 6.803 4.993 8.217 614 H SER 87 H SER 87 5.576 0.343 8.425 615 HA SER 87 HA SER 87 3.753 1.955 10.216 616 1HB SER 87 2HB SER 87 2.018 0.551 9.735 617 2HB SER 87 1HB SER 87 2.935 0.307 8.259 618 HG SER 87 HG SER 87 2.210 -1.575 9.713 619 H ASP 88 H ASP 88 5.289 -1.273 10.083 620 HA ASP 88 HA ASP 88 6.810 -1.433 12.293 621 1HB ASP 88 2HB ASP 88 3.964 -1.095 13.191 622 2HB ASP 88 1HB ASP 88 4.958 -2.239 14.079 623 H VAL 89 H VAL 89 5.639 -3.670 13.766 624 HA VAL 89 HA VAL 89 6.143 -5.766 11.820 625 HB VAL 89 HB VAL 89 6.788 -6.033 14.186 626 1HG1 VAL 89 1HG1 VAL 89 4.815 -4.724 15.064 627 2HG1 VAL 89 2HG1 VAL 89 5.130 -6.227 15.930 628 3HG1 VAL 89 3HG1 VAL 89 3.814 -6.144 14.757 629 1HG2 VAL 89 1HG2 VAL 89 6.037 -8.293 14.449 630 2HG2 VAL 89 2HG2 VAL 89 6.107 -8.005 12.709 631 3HG2 VAL 89 3HG2 VAL 89 4.555 -7.976 13.548 632 H MET 90 H MET 90 4.584 -7.335 11.088 633 HA MET 90 HA MET 90 2.140 -6.407 10.163 634 1HB MET 90 2HB MET 90 2.728 -9.239 11.077 635 2HB MET 90 1HB MET 90 1.443 -8.760 9.968 636 1HG MET 90 2HG MET 90 2.992 -8.085 8.294 637 2HG MET 90 1HG MET 90 4.343 -8.108 9.425 638 1HE MET 90 1HE MET 90 5.411 -11.487 9.987 639 2HE MET 90 2HE MET 90 3.947 -11.230 10.932 640 3HE MET 90 3HE MET 90 5.068 -9.895 10.676 641 H ASN 91 H ASN 91 0.882 -5.213 11.632 642 HA ASN 91 HA ASN 91 0.031 -6.610 14.132 643 1HB ASN 91 2HB ASN 91 0.813 -3.974 13.687 644 2HB ASN 91 1HB ASN 91 -0.946 -3.865 13.739 645 1HD2 ASN 91 1HD2 ASN 91 1.211 -3.074 15.790 646 2HD2 ASN 91 2HD2 ASN 91 0.714 -3.837 17.223 647 H TYR 92 H TYR 92 -0.959 -5.988 10.972 648 HA TYR 92 HA TYR 92 -3.755 -6.718 11.687 649 1HB TYR 92 2HB TYR 92 -3.719 -4.303 11.205 650 2HB TYR 92 1HB TYR 92 -2.946 -4.620 9.656 651 HD1 TYR 92 1HD TYR 92 -5.868 -6.076 11.537 652 HD2 TYR 92 2HD TYR 92 -4.402 -4.419 7.854 653 HE1 TYR 92 1HE TYR 92 -8.084 -6.437 10.493 654 HE2 TYR 92 2HE TYR 92 -6.622 -4.780 6.811 655 HH TYR 92 HH TYR 92 -8.805 -6.763 7.777 656 H PHE 93 H PHE 93 -4.882 -7.817 9.868 657 HA PHE 93 HA PHE 93 -3.009 -8.896 7.800 658 1HB PHE 93 2HB PHE 93 -5.058 -10.703 9.043 659 2HB PHE 93 1HB PHE 93 -3.519 -11.112 8.281 660 HD1 PHE 93 1HD PHE 93 -1.357 -10.479 9.477 661 HD2 PHE 93 2HD PHE 93 -5.205 -10.359 11.383 662 HE1 PHE 93 1HE PHE 93 -0.256 -10.488 11.699 663 HE2 PHE 93 2HE PHE 93 -4.104 -10.367 13.605 664 HZ PHE 93 HZ PHE 93 -1.630 -10.433 13.764 665 H ALA 94 H ALA 94 -3.945 -9.228 5.789 666 HA ALA 94 HA ALA 94 -6.760 -9.463 5.321 667 1HB ALA 94 1HB ALA 94 -6.037 -6.854 5.936 668 2HB ALA 94 2HB ALA 94 -7.487 -7.328 5.051 669 3HB ALA 94 3HB ALA 94 -6.033 -6.858 4.173 670 H TRP 95 H TRP 95 -4.032 -10.416 4.450 671 HA TRP 95 HA TRP 95 -3.702 -9.589 1.688 672 1HB TRP 95 2HB TRP 95 -2.278 -11.773 1.656 673 2HB TRP 95 1HB TRP 95 -1.735 -10.436 2.670 674 HD1 TRP 95 HD TRP 95 -1.670 -10.793 5.230 675 HE1 TRP 95 1HE TRP 95 -2.179 -12.791 6.778 676 HE3 TRP 95 3HE TRP 95 -3.905 -13.948 1.894 677 HZ2 TRP 95 2HZ TRP 95 -3.375 -15.385 6.622 678 HZ3 TRP 95 3HZ TRP 95 -4.718 -16.174 2.619 679 HH2 TRP 95 HH TRP 95 -4.457 -16.896 4.977 680 H GLU 96 H GLU 96 -4.341 -10.742 -0.185 681 HA GLU 96 HA GLU 96 -6.833 -12.168 0.003 682 1HB GLU 96 2HB GLU 96 -6.010 -10.838 -1.996 683 2HB GLU 96 1HB GLU 96 -4.923 -12.183 -2.348 684 1HG GLU 96 2HG GLU 96 -6.909 -12.532 -3.659 685 2HG GLU 96 1HG GLU 96 -6.960 -13.695 -2.333 686 H ARG 97 H ARG 97 -3.528 -13.275 -0.824 687 HA ARG 97 HA ARG 97 -4.257 -15.955 0.257 688 1HB ARG 97 2HB ARG 97 -3.159 -15.352 -2.496 689 2HB ARG 97 1HB ARG 97 -2.954 -16.931 -1.738 690 1HG ARG 97 2HG ARG 97 -5.290 -17.332 -1.672 691 2HG ARG 97 1HG ARG 97 -5.672 -15.635 -1.967 692 1HD ARG 97 2HD ARG 97 -4.722 -15.809 -4.237 693 2HD ARG 97 1HD ARG 97 -4.337 -17.505 -3.946 694 HE ARG 97 HE ARG 97 -6.961 -16.451 -4.608 695 1HH1 ARG 97 1HH1 ARG 97 -5.446 -19.245 -4.852 696 2HH1 ARG 97 2HH1 ARG 97 -6.613 -20.245 -4.053 697 1HH2 ARG 97 1HH2 ARG 97 -8.384 -17.575 -2.727 698 2HH2 ARG 97 2HH2 ARG 97 -8.277 -19.299 -2.849 699 H ASN 98 H ASN 98 -2.398 -17.163 0.980 700 HA ASN 98 HA ASN 98 -0.238 -15.473 1.932 701 1HB ASN 98 2HB ASN 98 -0.390 -18.497 2.014 702 2HB ASN 98 1HB ASN 98 0.574 -17.449 3.056 703 1HD2 ASN 98 1HD2 ASN 98 -2.426 -19.059 2.817 704 2HD2 ASN 98 2HD2 ASN 98 -3.232 -18.246 4.071 705 HA PRO 99 HA PRO 99 2.508 -15.861 -1.539 706 1HB PRO 99 2HB PRO 99 4.844 -16.211 0.111 707 2HB PRO 99 1HB PRO 99 4.304 -14.752 -0.723 708 1HG PRO 99 2HG PRO 99 4.194 -15.350 2.105 709 2HG PRO 99 1HG PRO 99 3.793 -13.840 1.284 710 1HD PRO 99 2HD PRO 99 1.966 -15.641 2.511 711 2HD PRO 99 1HD PRO 99 1.555 -14.250 1.475 712 H SER 100 H SER 100 2.485 -18.240 1.025 713 HA SER 100 HA SER 100 4.201 -20.174 -0.256 714 1HB SER 100 2HB SER 100 3.143 -21.784 1.334 715 2HB SER 100 1HB SER 100 3.726 -20.327 2.134 716 HG SER 100 HG SER 100 1.106 -21.152 1.562 717 H THR 101 H THR 101 1.234 -18.976 -1.180 718 HA THR 101 HA THR 101 0.627 -21.470 -2.727 719 HB THR 101 HB THR 101 -1.726 -21.079 -2.463 720 HG1 THR 101 1HG THR 101 -2.205 -19.037 -2.411 721 1HG2 THR 101 1HG2 THR 101 -0.627 -22.163 -0.542 722 2HG2 THR 101 2HG2 THR 101 -1.990 -21.175 -0.012 723 3HG2 THR 101 3HG2 THR 101 -0.340 -20.582 0.187 724 H ILE 102 H ILE 102 2.169 -18.950 -3.373 725 HA ILE 102 HA ILE 102 0.602 -18.226 -5.815 726 HB ILE 102 HB ILE 102 2.143 -16.341 -4.007 727 1HG1 ILE 102 2HG1 ILE 102 -0.775 -16.321 -4.833 728 2HG1 ILE 102 1HG1 ILE 102 -0.197 -17.025 -3.324 729 1HG2 ILE 102 1HG2 ILE 102 2.559 -15.665 -6.272 730 2HG2 ILE 102 2HG2 ILE 102 1.275 -14.616 -5.670 731 3HG2 ILE 102 3HG2 ILE 102 0.885 -15.964 -6.735 732 1HD1 ILE 102 1HD1 ILE 102 0.349 -14.160 -4.138 733 2HD1 ILE 102 2HD1 ILE 102 0.643 -14.899 -2.564 734 3HD1 ILE 102 3HD1 ILE 102 -1.009 -14.638 -3.121 735 H SER 103 H SER 103 1.826 -18.167 -7.682 736 HA SER 103 HA SER 103 4.397 -19.424 -7.703 737 1HB SER 103 2HB SER 103 4.468 -18.683 -10.091 738 2HB SER 103 1HB SER 103 2.960 -19.487 -9.670 739 HG SER 103 HG SER 103 2.176 -17.275 -9.236 740 H SER 104 H SER 104 6.115 -18.452 -6.716 741 HA SER 104 HA SER 104 7.615 -16.756 -6.057 742 1HB SER 104 2HB SER 104 8.282 -17.066 -8.396 743 2HB SER 104 1HB SER 104 7.034 -15.941 -8.920 744 HG SER 104 HG SER 104 8.929 -15.165 -6.992 745 HA PRO 105 HA PRO 105 4.239 -13.702 -5.210 746 1HB PRO 105 2HB PRO 105 5.328 -13.459 -2.555 747 2HB PRO 105 1HB PRO 105 3.800 -14.197 -3.044 748 1HG PRO 105 2HG PRO 105 6.085 -15.538 -2.045 749 2HG PRO 105 1HG PRO 105 4.637 -16.279 -2.733 750 1HD PRO 105 2HD PRO 105 7.316 -16.016 -3.917 751 2HD PRO 105 1HD PRO 105 5.949 -17.030 -4.449 752 H GLY 106 H GLY 106 4.692 -11.644 -5.921 753 1HA GLY 106 2HA GLY 106 7.227 -10.486 -6.181 754 2HA GLY 106 1HA GLY 106 5.743 -9.540 -6.042 755 H HIS 107 H HIS 107 8.307 -8.811 -4.882 756 HA HIS 107 HA HIS 107 7.988 -9.348 -1.992 757 1HB HIS 107 2HB HIS 107 10.031 -7.533 -3.285 758 2HB HIS 107 1HB HIS 107 10.122 -8.315 -1.707 759 HD1 HIS 107 1HD HIS 107 12.418 -8.900 -3.554 760 HD2 HIS 107 2HD HIS 107 8.937 -11.171 -3.599 761 HE1 HIS 107 1HE HIS 107 13.014 -11.138 -4.569 762 H CYS 108 H CYS 108 6.000 -7.732 -3.534 763 HA CYS 108 HA CYS 108 5.903 -5.464 -1.655 764 1HB CYS 108 2HB CYS 108 6.097 -5.143 -4.648 765 2HB CYS 108 1HB CYS 108 5.378 -3.903 -3.619 766 H ALA 109 H ALA 109 3.768 -4.865 -1.204 767 HA ALA 109 HA ALA 109 1.688 -6.497 -2.600 768 1HB ALA 109 1HB ALA 109 2.226 -6.352 0.085 769 2HB ALA 109 2HB ALA 109 0.680 -6.847 -0.599 770 3HB ALA 109 3HB ALA 109 0.918 -5.180 -0.078 771 H SER 110 H SER 110 -0.269 -5.547 -3.182 772 HA SER 110 HA SER 110 -0.483 -2.582 -3.112 773 1HB SER 110 2HB SER 110 -1.411 -3.070 -5.615 774 2HB SER 110 1HB SER 110 0.261 -2.626 -5.292 775 HG SER 110 HG SER 110 -0.738 -5.284 -5.385 776 H LEU 111 H LEU 111 -2.776 -1.937 -3.752 777 HA LEU 111 HA LEU 111 -4.666 -3.822 -2.504 778 1HB LEU 111 2HB LEU 111 -5.052 -1.041 -3.658 779 2HB LEU 111 1HB LEU 111 -6.297 -1.954 -2.822 780 HG LEU 111 HG LEU 111 -3.823 -1.832 -1.263 781 1HD1 LEU 111 1HD1 LEU 111 -5.143 0.738 -2.151 782 2HD1 LEU 111 2HD1 LEU 111 -3.429 0.331 -2.177 783 3HD1 LEU 111 3HD1 LEU 111 -4.242 0.622 -0.641 784 1HD2 LEU 111 1HD2 LEU 111 -5.355 -1.254 0.506 785 2HD2 LEU 111 2HD2 LEU 111 -6.153 -2.467 -0.497 786 3HD2 LEU 111 3HD2 LEU 111 -6.592 -0.766 -0.651 787 H SER 112 H SER 112 -6.527 -4.634 -3.640 788 HA SER 112 HA SER 112 -6.235 -4.627 -6.627 789 1HB SER 112 2HB SER 112 -6.957 -6.900 -6.662 790 2HB SER 112 1HB SER 112 -5.756 -6.809 -5.379 791 HG SER 112 HG SER 112 -7.357 -6.843 -3.879 792 H ARG 113 H ARG 113 -7.867 -3.468 -7.523 793 HA ARG 113 HA ARG 113 -10.202 -2.587 -6.200 794 1HB ARG 113 2HB ARG 113 -9.536 -1.595 -8.310 795 2HB ARG 113 1HB ARG 113 -9.749 -3.129 -9.149 796 1HG ARG 113 2HG ARG 113 -12.139 -3.080 -8.765 797 2HG ARG 113 1HG ARG 113 -11.987 -1.665 -7.724 798 1HD ARG 113 2HD ARG 113 -12.710 -0.875 -9.877 799 2HD ARG 113 1HD ARG 113 -11.011 -0.434 -9.714 800 HE ARG 113 HE ARG 113 -10.978 -2.921 -10.969 801 1HH1 ARG 113 1HH2 ARG 113 -13.561 -2.109 -12.209 802 2HH1 ARG 113 2HH2 ARG 113 -13.043 -1.252 -13.622 803 1HH2 ARG 113 1HH1 ARG 113 -9.791 -0.830 -12.498 804 2HH2 ARG 113 2HH1 ARG 113 -10.908 -0.528 -13.786 805 H SER 114 H SER 114 -9.635 -5.588 -7.999 806 HA SER 114 HA SER 114 -12.299 -6.520 -8.157 807 1HB SER 114 2HB SER 114 -11.381 -8.671 -8.544 808 2HB SER 114 1HB SER 114 -10.153 -7.557 -9.137 809 HG SER 114 HG SER 114 -8.870 -8.130 -7.554 810 H THR 115 H THR 115 -10.380 -5.973 -5.386 811 HA THR 115 HA THR 115 -12.238 -7.651 -3.734 812 HB THR 115 HB THR 115 -10.454 -7.886 -2.107 813 HG1 THR 115 1HG THR 115 -8.659 -6.567 -3.797 814 1HG2 THR 115 1HG2 THR 115 -8.649 -8.926 -3.650 815 2HG2 THR 115 2HG2 THR 115 -9.720 -8.471 -4.972 816 3HG2 THR 115 3HG2 THR 115 -10.281 -9.588 -3.729 817 H ALA 116 H ALA 116 -12.537 -4.831 -4.684 818 HA ALA 116 HA ALA 116 -13.254 -2.783 -3.796 819 1HB ALA 116 1HB ALA 116 -14.569 -4.492 -2.358 820 2HB ALA 116 2HB ALA 116 -14.407 -2.853 -1.732 821 3HB ALA 116 3HB ALA 116 -13.382 -4.141 -1.102 822 H PHE 117 H PHE 117 -10.378 -3.646 -3.701 823 HA PHE 117 HA PHE 117 -8.349 -2.812 -2.888 824 1HB PHE 117 2HB PHE 117 -9.996 -0.506 -1.823 825 2HB PHE 117 1HB PHE 117 -8.299 -0.488 -2.300 826 HD1 PHE 117 1HD PHE 117 -7.653 -0.607 -4.681 827 HD2 PHE 117 2HD PHE 117 -11.769 -0.418 -3.470 828 HE1 PHE 117 1HE PHE 117 -8.307 -0.013 -6.998 829 HE2 PHE 117 2HE PHE 117 -12.424 0.175 -5.788 830 HZ PHE 117 HZ PHE 117 -10.693 0.378 -7.552 831 H LEU 118 H LEU 118 -10.277 -4.371 -1.102 832 HA LEU 118 HA LEU 118 -9.416 -3.393 1.572 833 1HB LEU 118 2HB LEU 118 -11.412 -5.485 0.675 834 2HB LEU 118 1HB LEU 118 -10.968 -5.250 2.364 835 HG LEU 118 HG LEU 118 -12.092 -3.089 0.558 836 1HD1 LEU 118 1HD1 LEU 118 -14.176 -3.378 1.734 837 2HD1 LEU 118 2HD1 LEU 118 -13.452 -4.548 2.837 838 3HD1 LEU 118 3HD1 LEU 118 -13.683 -4.962 1.137 839 1HD2 LEU 118 1HD2 LEU 118 -10.986 -1.871 2.187 840 2HD2 LEU 118 2HD2 LEU 118 -11.081 -3.170 3.376 841 3HD2 LEU 118 3HD2 LEU 118 -12.496 -2.172 3.046 842 H ARG 119 H ARG 119 -8.808 -5.924 -0.748 843 HA ARG 119 HA ARG 119 -7.211 -7.448 1.255 844 1HB ARG 119 2HB ARG 119 -8.021 -8.106 -1.592 845 2HB ARG 119 1HB ARG 119 -7.058 -9.159 -0.557 846 1HG ARG 119 2HG ARG 119 -9.835 -8.154 0.140 847 2HG ARG 119 1HG ARG 119 -9.498 -9.740 -0.556 848 1HD ARG 119 2HD ARG 119 -7.792 -9.885 1.491 849 2HD ARG 119 1HD ARG 119 -8.911 -8.714 2.192 850 HE ARG 119 HE ARG 119 -10.626 -10.640 1.319 851 1HH1 ARG 119 1HH2 ARG 119 -8.253 -10.298 3.711 852 2HH1 ARG 119 2HH2 ARG 119 -8.389 -11.919 4.306 853 1HH2 ARG 119 1HH1 ARG 119 -10.556 -12.941 1.800 854 2HH2 ARG 119 2HH1 ARG 119 -9.693 -13.415 3.224 855 H TRP 120 H TRP 120 -5.053 -8.300 0.326 856 HA TRP 120 HA TRP 120 -3.705 -6.110 -1.221 857 1HB TRP 120 2HB TRP 120 -2.357 -7.876 0.829 858 2HB TRP 120 1HB TRP 120 -1.758 -6.375 0.126 859 HD1 TRP 120 HD TRP 120 -4.315 -4.580 0.465 860 HE1 TRP 120 1HE TRP 120 -5.044 -3.813 2.818 861 HE3 TRP 120 3HE TRP 120 -1.970 -8.112 3.307 862 HZ2 TRP 120 2HZ TRP 120 -4.676 -4.596 5.544 863 HZ3 TRP 120 3HZ TRP 120 -2.174 -8.080 5.775 864 HH2 TRP 120 HH TRP 120 -3.522 -6.330 6.898 865 H LYS 121 H LYS 121 -2.501 -6.760 -2.970 866 HA LYS 121 HA LYS 121 -2.109 -9.707 -3.354 867 1HB LYS 121 2HB LYS 121 -3.821 -8.526 -4.883 868 2HB LYS 121 1HB LYS 121 -2.428 -7.727 -5.613 869 1HG LYS 121 2HG LYS 121 -1.419 -10.025 -5.964 870 2HG LYS 121 1HG LYS 121 -2.972 -10.703 -5.473 871 1HD LYS 121 2HD LYS 121 -4.102 -9.541 -7.300 872 2HD LYS 121 1HD LYS 121 -2.594 -8.749 -7.761 873 1HE LYS 121 2HE LYS 121 -2.835 -11.758 -7.657 874 2HE LYS 121 1HE LYS 121 -3.262 -10.841 -9.103 875 1HZ LYS 121 1HZ LYS 121 -1.009 -9.820 -8.963 876 2HZ LYS 121 2HZ LYS 121 -1.005 -11.485 -9.302 877 3HZ LYS 121 3HZ LYS 121 -0.630 -10.932 -7.740 878 H ASP 122 H ASP 122 -0.129 -10.349 -4.257 879 HA ASP 122 HA ASP 122 2.053 -8.504 -3.732 880 1HB ASP 122 2HB ASP 122 2.208 -11.240 -5.017 881 2HB ASP 122 1HB ASP 122 3.509 -10.371 -4.202 882 H TYR 123 H TYR 123 3.590 -7.754 -5.310 883 HA TYR 123 HA TYR 123 3.060 -8.228 -8.157 884 1HB TYR 123 2HB TYR 123 1.883 -5.973 -6.813 885 2HB TYR 123 1HB TYR 123 3.115 -5.376 -7.922 886 HD1 TYR 123 1HD TYR 123 -0.068 -7.202 -7.632 887 HD2 TYR 123 2HD TYR 123 2.935 -5.740 -10.332 888 HE1 TYR 123 1HE TYR 123 -1.596 -7.595 -9.546 889 HE2 TYR 123 2HE TYR 123 1.408 -6.133 -12.245 890 HH TYR 123 HH TYR 123 -0.884 -7.997 -12.411 891 H ASN 124 H ASN 124 4.783 -7.281 -9.509 892 HA ASN 124 HA ASN 124 7.373 -7.550 -8.374 893 1HB ASN 124 2HB ASN 124 6.401 -6.234 -10.917 894 2HB ASN 124 1HB ASN 124 8.113 -6.335 -10.507 895 1HD2 ASN 124 1HD2 ASN 124 5.749 -7.941 -12.225 896 2HD2 ASN 124 2HD2 ASN 124 6.394 -9.510 -12.185 897 H CYS 125 H CYS 125 8.325 -6.218 -6.943 898 HA CYS 125 HA CYS 125 7.435 -3.736 -6.051 899 1HB CYS 125 2HB CYS 125 10.265 -4.796 -6.225 900 2HB CYS 125 1HB CYS 125 9.822 -3.340 -5.334 901 H ASN 126 H ASN 126 8.587 -4.330 -9.177 902 HA ASN 126 HA ASN 126 9.639 -1.559 -9.461 903 1HB ASN 126 2HB ASN 126 10.941 -3.499 -10.393 904 2HB ASN 126 1HB ASN 126 9.616 -3.786 -11.520 905 1HD2 ASN 126 1HD2 ASN 126 10.379 -3.034 -13.517 906 2HD2 ASN 126 2HD2 ASN 126 11.074 -1.505 -13.767 907 H VAL 127 H VAL 127 6.961 -3.612 -10.562 908 HA VAL 127 HA VAL 127 5.979 -1.959 -12.651 909 HB VAL 127 HB VAL 127 4.572 -3.719 -10.626 910 1HG1 VAL 127 1HG1 VAL 127 2.563 -3.437 -12.203 911 2HG1 VAL 127 2HG1 VAL 127 3.383 -2.000 -12.815 912 3HG1 VAL 127 3HG1 VAL 127 2.906 -2.088 -11.120 913 1HG2 VAL 127 1HG2 VAL 127 4.754 -3.997 -13.633 914 2HG2 VAL 127 2HG2 VAL 127 4.366 -5.242 -12.445 915 3HG2 VAL 127 3HG2 VAL 127 6.011 -4.617 -12.563 916 H ARG 128 H ARG 128 5.104 0.138 -12.573 917 HA ARG 128 HA ARG 128 5.002 1.382 -9.920 918 1HB ARG 128 2HB ARG 128 4.353 2.696 -12.553 919 2HB ARG 128 1HB ARG 128 5.013 3.430 -11.098 920 1HG ARG 128 2HG ARG 128 7.057 1.948 -11.416 921 2HG ARG 128 1HG ARG 128 6.411 1.558 -13.011 922 1HD ARG 128 2HD ARG 128 6.245 4.159 -13.294 923 2HD ARG 128 1HD ARG 128 7.414 4.198 -11.973 924 HE ARG 128 HE ARG 128 9.047 3.269 -13.436 925 1HH1 ARG 128 1HH2 ARG 128 5.976 2.401 -14.610 926 2HH1 ARG 128 2HH2 ARG 128 6.449 2.368 -16.275 927 1HH2 ARG 128 1HH1 ARG 128 9.633 3.602 -15.670 928 2HH2 ARG 128 2HH1 ARG 128 8.519 3.048 -16.877 929 H LEU 129 H LEU 129 3.048 2.376 -9.014 930 HA LEU 129 HA LEU 129 0.587 1.837 -10.642 931 1HB LEU 129 2HB LEU 129 1.263 0.646 -7.962 932 2HB LEU 129 1HB LEU 129 -0.414 0.965 -8.363 933 HG LEU 129 HG LEU 129 0.838 -0.362 -10.600 934 1HD1 LEU 129 1HD1 LEU 129 1.318 -2.532 -9.475 935 2HD1 LEU 129 2HD1 LEU 129 1.132 -1.735 -7.912 936 3HD1 LEU 129 3HD1 LEU 129 2.444 -1.263 -8.991 937 1HD2 LEU 129 1HD2 LEU 129 -1.549 -0.383 -10.161 938 2HD2 LEU 129 2HD2 LEU 129 -1.288 -1.147 -8.592 939 3HD2 LEU 129 3HD2 LEU 129 -0.945 -2.037 -10.076 940 HA PRO 130 HA PRO 130 -0.680 5.672 -8.817 941 1HB PRO 130 2HB PRO 130 -3.316 4.775 -8.033 942 2HB PRO 130 1HB PRO 130 -2.889 5.781 -9.420 943 1HG PRO 130 2HG PRO 130 -3.713 3.011 -9.407 944 2HG PRO 130 1HG PRO 130 -3.375 4.049 -10.795 945 1HD PRO 130 2HD PRO 130 -1.789 1.865 -9.862 946 2HD PRO 130 1HD PRO 130 -1.365 3.016 -11.151 947 H TYR 131 H TYR 131 -0.438 6.352 -6.540 948 HA TYR 131 HA TYR 131 -0.956 4.197 -4.533 949 1HB TYR 131 2HB TYR 131 1.258 4.405 -3.593 950 2HB TYR 131 1HB TYR 131 1.412 4.088 -5.320 951 HD1 TYR 131 1HD TYR 131 1.577 6.159 -6.888 952 HD2 TYR 131 2HD TYR 131 2.327 6.283 -2.661 953 HE1 TYR 131 1HE TYR 131 2.856 8.264 -7.177 954 HE2 TYR 131 2HE TYR 131 3.608 8.387 -2.950 955 HH TYR 131 HH TYR 131 3.548 10.186 -5.865 956 H VAL 132 H VAL 132 -0.365 5.046 -2.246 957 HA VAL 132 HA VAL 132 -1.333 7.882 -2.010 958 HB VAL 132 HB VAL 132 -1.868 5.523 -0.177 959 1HG1 VAL 132 1HG1 VAL 132 -1.577 7.570 1.128 960 2HG1 VAL 132 2HG1 VAL 132 -3.290 7.164 1.064 961 3HG1 VAL 132 3HG1 VAL 132 -2.651 8.446 0.037 962 1HG2 VAL 132 1HG2 VAL 132 -3.165 5.805 -2.400 963 2HG2 VAL 132 2HG2 VAL 132 -3.892 7.219 -1.637 964 3HG2 VAL 132 3HG2 VAL 132 -4.111 5.621 -0.924 965 H CYS 133 H CYS 133 -0.392 9.031 -0.134 966 HA CYS 133 HA CYS 133 2.104 7.759 0.912 967 1HB CYS 133 2HB CYS 133 2.776 9.180 -0.948 968 2HB CYS 133 1HB CYS 133 1.836 10.524 -0.304 969 H LYS 134 H LYS 134 2.322 8.021 3.090 970 HA LYS 134 HA LYS 134 0.466 9.933 4.441 971 1HB LYS 134 2HB LYS 134 0.509 8.523 6.292 972 2HB LYS 134 1HB LYS 134 0.744 7.354 4.996 973 1HG LYS 134 2HG LYS 134 3.277 7.780 5.343 974 2HG LYS 134 1HG LYS 134 2.801 8.503 6.880 975 1HD LYS 134 2HD LYS 134 1.466 6.323 7.273 976 2HD LYS 134 1HD LYS 134 2.429 5.654 5.956 977 1HE LYS 134 2HE LYS 134 4.478 6.531 7.264 978 2HE LYS 134 1HE LYS 134 3.372 6.687 8.630 979 1HZ LYS 134 1HZ LYS 134 2.749 4.270 7.998 980 2HZ LYS 134 2HZ LYS 134 4.160 4.564 8.897 981 3HZ LYS 134 3HZ LYS 134 4.261 4.261 7.227 982 H PHE 135 H PHE 135 1.360 11.328 6.151 983 HA PHE 135 HA PHE 135 4.175 11.529 6.695 984 1HB PHE 135 2HB PHE 135 4.621 13.635 5.362 985 2HB PHE 135 1HB PHE 135 4.480 12.171 4.390 986 HD1 PHE 135 1HD PHE 135 2.568 11.804 2.923 987 HD2 PHE 135 2HD PHE 135 2.812 15.306 5.399 988 HE1 PHE 135 1HE PHE 135 0.701 12.831 1.655 989 HE2 PHE 135 2HE PHE 135 0.946 16.333 4.128 990 HZ PHE 135 HZ PHE 135 -0.108 15.096 2.257 991 H THR 136 H THR 136 4.239 12.666 8.591 992 HA THR 136 HA THR 136 1.933 14.376 9.294 993 HB THR 136 HB THR 136 4.304 14.051 11.101 994 HG1 THR 136 1HG THR 136 4.100 11.978 10.496 995 1HG2 THR 136 1HG2 THR 136 1.295 14.043 11.474 996 2HG2 THR 136 2HG2 THR 136 2.400 15.358 11.868 997 3HG2 THR 136 3HG2 THR 136 2.464 13.852 12.779 998 H ASP 137 H ASP 137 2.625 16.488 10.539 999 HA ASP 137 HA ASP 137 3.892 18.223 8.656 1000 1HB ASP 137 2HB ASP 137 2.256 18.850 10.532 1001 2HB ASP 137 1HB ASP 137 3.646 18.788 11.617 Start of MODEL 5 1 1H ARG 1 1HT ARG 1 -3.928 18.855 10.685 2 2H ARG 1 2HT ARG 1 -4.882 20.044 11.435 3 3H ARG 1 3HT ARG 1 -3.188 20.137 11.513 4 HA ARG 1 HA ARG 1 -4.987 20.991 9.432 5 1HB ARG 1 2HB ARG 1 -3.296 22.352 10.806 6 2HB ARG 1 1HB ARG 1 -2.048 21.588 9.820 7 1HG ARG 1 2HG ARG 1 -3.444 22.376 7.789 8 2HG ARG 1 1HG ARG 1 -4.262 23.436 8.937 9 1HD ARG 1 2HD ARG 1 -1.402 23.477 8.025 10 2HD ARG 1 1HD ARG 1 -2.532 24.818 8.212 11 HE ARG 1 HE ARG 1 -2.206 23.958 10.797 12 1HH1 ARG 1 1HH2 ARG 1 0.465 22.912 9.708 13 2HH1 ARG 1 2HH2 ARG 1 1.512 24.239 10.086 14 1HH2 ARG 1 1HH1 ARG 1 -1.083 26.470 10.651 15 2HH2 ARG 1 2HH1 ARG 1 0.634 26.254 10.620 16 H CYS 2 H CYS 2 -5.058 20.132 7.411 17 HA CYS 2 HA CYS 2 -2.653 18.904 6.262 18 1HB CYS 2 2HB CYS 2 -5.229 17.413 6.777 19 2HB CYS 2 1HB CYS 2 -4.079 16.890 5.551 20 HA PRO 3 HA PRO 3 -4.134 20.921 2.601 21 1HB PRO 3 2HB PRO 3 -3.539 18.698 0.866 22 2HB PRO 3 1HB PRO 3 -2.615 20.186 1.097 23 1HG PRO 3 2HG PRO 3 -2.024 17.519 2.073 24 2HG PRO 3 1HG PRO 3 -1.017 18.969 2.142 25 1HD PRO 3 2HD PRO 3 -2.293 17.714 4.333 26 2HD PRO 3 1HD PRO 3 -1.541 19.326 4.339 27 H LYS 4 H LYS 4 -5.812 20.711 0.907 28 HA LYS 4 HA LYS 4 -8.119 19.254 1.835 29 1HB LYS 4 2HB LYS 4 -9.034 20.130 -0.457 30 2HB LYS 4 1HB LYS 4 -8.692 21.286 0.832 31 1HG LYS 4 2HG LYS 4 -6.624 21.933 -0.151 32 2HG LYS 4 1HG LYS 4 -6.624 20.549 -1.244 33 1HD LYS 4 2HD LYS 4 -8.427 21.449 -2.533 34 2HD LYS 4 1HD LYS 4 -8.764 22.686 -1.322 35 1HE LYS 4 2HE LYS 4 -6.500 23.657 -1.751 36 2HE LYS 4 1HE LYS 4 -6.278 22.481 -3.046 37 1HZ LYS 4 1HZ LYS 4 -8.768 23.753 -3.355 38 2HZ LYS 4 2HZ LYS 4 -7.431 23.769 -4.403 39 3HZ LYS 4 3HZ LYS 4 -7.570 24.940 -3.181 40 H GLY 5 H GLY 5 -9.260 17.645 0.557 41 1HA GLY 5 2HA GLY 5 -9.375 15.754 -0.850 42 2HA GLY 5 1HA GLY 5 -7.955 16.375 -1.710 43 H SER 6 H SER 6 -6.905 16.708 1.218 44 HA SER 6 HA SER 6 -5.632 14.005 1.280 45 1HB SER 6 2HB SER 6 -3.819 15.008 2.310 46 2HB SER 6 1HB SER 6 -4.449 16.403 1.440 47 HG SER 6 HG SER 6 -5.430 17.101 3.291 48 H LYS 7 H LYS 7 -5.770 12.677 3.150 49 HA LYS 7 HA LYS 7 -7.809 13.572 5.170 50 1HB LYS 7 2HB LYS 7 -7.183 10.750 4.253 51 2HB LYS 7 1HB LYS 7 -8.423 11.209 5.417 52 1HG LYS 7 2HG LYS 7 -8.620 12.675 2.866 53 2HG LYS 7 1HG LYS 7 -8.825 10.934 2.689 54 1HD LYS 7 2HD LYS 7 -10.999 11.944 3.104 55 2HD LYS 7 1HD LYS 7 -10.535 10.993 4.514 56 1HE LYS 7 2HE LYS 7 -9.963 12.925 5.767 57 2HE LYS 7 1HE LYS 7 -9.934 13.946 4.329 58 1HZ LYS 7 1HZ LYS 7 -11.971 14.460 5.186 59 2HZ LYS 7 2HZ LYS 7 -12.229 12.911 5.831 60 3HZ LYS 7 3HZ LYS 7 -12.403 13.179 4.164 61 H ALA 8 H ALA 8 -7.040 13.741 7.222 62 HA ALA 8 HA ALA 8 -4.312 12.816 7.801 63 1HB ALA 8 1HB ALA 8 -5.230 15.025 8.610 64 2HB ALA 8 2HB ALA 8 -4.535 14.016 9.880 65 3HB ALA 8 3HB ALA 8 -6.287 14.116 9.693 66 H TYR 9 H TYR 9 -3.771 11.147 9.190 67 HA TYR 9 HA TYR 9 -5.871 9.757 10.718 68 1HB TYR 9 2HB TYR 9 -5.766 8.835 8.282 69 2HB TYR 9 1HB TYR 9 -4.234 8.120 8.780 70 HD1 TYR 9 1HD TYR 9 -7.883 8.100 9.257 71 HD2 TYR 9 2HD TYR 9 -4.150 6.368 10.491 72 HE1 TYR 9 1HE TYR 9 -9.107 6.251 10.367 73 HE2 TYR 9 2HE TYR 9 -5.374 4.520 11.600 74 HH TYR 9 HH TYR 9 -8.823 4.098 11.198 75 H GLY 10 H GLY 10 -4.968 9.014 12.599 76 1HA GLY 10 2HA GLY 10 -3.311 8.260 14.100 77 2HA GLY 10 1HA GLY 10 -2.232 8.036 12.723 78 H SER 11 H SER 11 -1.503 10.228 11.704 79 HA SER 11 HA SER 11 -1.499 12.632 13.213 80 1HB SER 11 2HB SER 11 0.994 12.390 13.970 81 2HB SER 11 1HB SER 11 -0.273 11.687 14.969 82 HG SER 11 HG SER 11 0.139 9.692 13.988 83 H HIS 12 H HIS 12 -1.375 11.480 10.423 84 HA HIS 12 HA HIS 12 0.678 13.357 9.404 85 1HB HIS 12 2HB HIS 12 0.416 10.524 8.365 86 2HB HIS 12 1HB HIS 12 1.616 11.725 7.896 87 HD1 HIS 12 1HD HIS 12 3.786 11.565 9.097 88 HD2 HIS 12 2HD HIS 12 0.689 9.871 11.312 89 HE1 HIS 12 1HE HIS 12 4.848 10.578 11.174 90 H CYS 13 H CYS 13 0.189 14.062 7.222 91 HA CYS 13 HA CYS 13 -2.687 13.884 6.601 92 1HB CYS 13 2HB CYS 13 -0.525 15.346 5.066 93 2HB CYS 13 1HB CYS 13 -2.264 15.612 4.977 94 H TYR 14 H TYR 14 -3.495 12.461 5.122 95 HA TYR 14 HA TYR 14 -1.551 10.938 3.472 96 1HB TYR 14 2HB TYR 14 -4.456 10.446 4.163 97 2HB TYR 14 1HB TYR 14 -3.553 9.458 3.020 98 HD1 TYR 14 1HD TYR 14 -3.136 10.873 6.481 99 HD2 TYR 14 2HD TYR 14 -2.520 7.544 3.840 100 HE1 TYR 14 1HE TYR 14 -2.176 9.567 8.353 101 HE2 TYR 14 2HE TYR 14 -1.562 6.234 5.715 102 HH TYR 14 HH TYR 14 -1.950 6.998 8.874 103 H ALA 15 H ALA 15 -1.569 11.045 1.240 104 HA ALA 15 HA ALA 15 -3.734 12.640 -0.051 105 1HB ALA 15 1HB ALA 15 -0.762 13.013 -0.538 106 2HB ALA 15 2HB ALA 15 -1.803 14.143 0.328 107 3HB ALA 15 3HB ALA 15 -2.061 13.848 -1.392 108 H LEU 16 H LEU 16 -4.362 11.842 -2.004 109 HA LEU 16 HA LEU 16 -3.052 9.330 -2.919 110 1HB LEU 16 2HB LEU 16 -5.378 9.002 -2.664 111 2HB LEU 16 1HB LEU 16 -5.767 10.592 -3.310 112 HG LEU 16 HG LEU 16 -5.061 9.870 -5.553 113 1HD1 LEU 16 1HD1 LEU 16 -4.613 7.390 -5.867 114 2HD1 LEU 16 2HD1 LEU 16 -4.456 7.276 -4.116 115 3HD1 LEU 16 3HD1 LEU 16 -3.333 8.273 -5.036 116 1HD2 LEU 16 1HD2 LEU 16 -7.049 8.132 -4.088 117 2HD2 LEU 16 2HD2 LEU 16 -6.808 8.011 -5.830 118 3HD2 LEU 16 3HD2 LEU 16 -7.375 9.523 -5.122 119 H PHE 17 H PHE 17 -1.760 9.394 -4.702 120 HA PHE 17 HA PHE 17 -2.007 11.730 -6.549 121 1HB PHE 17 2HB PHE 17 0.396 10.127 -5.642 122 2HB PHE 17 1HB PHE 17 0.433 11.122 -7.097 123 HD1 PHE 17 1HD PHE 17 -0.160 13.598 -6.899 124 HD2 PHE 17 2HD PHE 17 0.645 11.104 -3.496 125 HE1 PHE 17 1HE PHE 17 0.241 15.618 -5.514 126 HE2 PHE 17 2HE PHE 17 1.045 13.123 -2.111 127 HZ PHE 17 HZ PHE 17 0.843 15.380 -3.121 128 H LEU 18 H LEU 18 -2.911 11.070 -8.424 129 HA LEU 18 HA LEU 18 -3.121 8.273 -9.119 130 1HB LEU 18 2HB LEU 18 -3.576 10.606 -10.992 131 2HB LEU 18 1HB LEU 18 -4.322 9.010 -11.049 132 HG LEU 18 HG LEU 18 -4.827 11.238 -9.072 133 1HD1 LEU 18 1HD1 LEU 18 -6.120 11.038 -11.247 134 2HD1 LEU 18 2HD1 LEU 18 -7.110 10.997 -9.788 135 3HD1 LEU 18 3HD1 LEU 18 -6.743 9.500 -10.647 136 1HD2 LEU 18 1HD2 LEU 18 -6.332 9.499 -7.935 137 2HD2 LEU 18 2HD2 LEU 18 -4.600 9.321 -7.658 138 3HD2 LEU 18 3HD2 LEU 18 -5.417 8.279 -8.820 139 H SER 19 H SER 19 -0.493 9.937 -8.900 140 HA SER 19 HA SER 19 0.616 9.501 -11.595 141 1HB SER 19 2HB SER 19 2.594 10.046 -9.535 142 2HB SER 19 1HB SER 19 2.211 10.956 -10.993 143 HG SER 19 HG SER 19 1.282 12.313 -9.692 144 HA PRO 20 HA PRO 20 1.633 5.259 -10.472 145 1HB PRO 20 2HB PRO 20 3.305 5.082 -12.797 146 2HB PRO 20 1HB PRO 20 1.682 4.427 -12.570 147 1HG PRO 20 2HG PRO 20 2.482 6.654 -14.197 148 2HG PRO 20 1HG PRO 20 0.863 5.986 -13.988 149 1HD PRO 20 2HD PRO 20 1.897 8.472 -12.990 150 2HD PRO 20 1HD PRO 20 0.262 7.793 -12.768 151 H LYS 21 H LYS 21 3.471 4.242 -9.508 152 HA LYS 21 HA LYS 21 6.158 5.329 -9.901 153 1HB LYS 21 2HB LYS 21 4.535 6.027 -7.481 154 2HB LYS 21 1HB LYS 21 6.248 5.684 -7.251 155 1HG LYS 21 2HG LYS 21 6.617 7.361 -9.215 156 2HG LYS 21 1HG LYS 21 4.969 7.885 -8.869 157 1HD LYS 21 2HD LYS 21 5.664 8.181 -6.457 158 2HD LYS 21 1HD LYS 21 7.326 7.892 -6.971 159 1HE LYS 21 2HE LYS 21 7.083 9.781 -8.607 160 2HE LYS 21 1HE LYS 21 5.500 10.122 -7.908 161 1HZ LYS 21 1HZ LYS 21 7.949 9.976 -6.254 162 2HZ LYS 21 2HZ LYS 21 6.448 10.667 -5.857 163 3HZ LYS 21 3HZ LYS 21 7.457 11.417 -7.001 164 H SER 22 H SER 22 7.538 3.607 -9.661 165 HA SER 22 HA SER 22 6.742 1.000 -9.024 166 1HB SER 22 2HB SER 22 8.894 1.263 -9.998 167 2HB SER 22 1HB SER 22 9.415 2.372 -8.734 168 HG SER 22 HG SER 22 8.610 -0.271 -8.155 169 H TRP 23 H TRP 23 6.904 -0.270 -7.070 170 HA TRP 23 HA TRP 23 6.014 1.048 -4.700 171 1HB TRP 23 2HB TRP 23 5.635 -1.344 -5.000 172 2HB TRP 23 1HB TRP 23 7.370 -1.647 -5.057 173 HD1 TRP 23 HD TRP 23 4.528 -0.866 -2.665 174 HE1 TRP 23 1HE TRP 23 5.353 -1.184 -0.242 175 HE3 TRP 23 3HE TRP 23 9.516 -1.556 -3.516 176 HZ2 TRP 23 2HZ TRP 23 7.804 -1.665 1.150 177 HZ3 TRP 23 3HZ TRP 23 11.071 -1.942 -1.625 178 HH2 TRP 23 HH TRP 23 10.223 -1.997 0.704 179 H THR 24 H THR 24 9.102 0.616 -6.104 180 HA THR 24 HA THR 24 10.549 1.238 -3.594 181 HB THR 24 HB THR 24 11.333 -0.457 -5.366 182 HG1 THR 24 1HG THR 24 13.020 -0.111 -4.191 183 1HG2 THR 24 1HG2 THR 24 12.093 0.252 -7.413 184 2HG2 THR 24 2HG2 THR 24 12.621 1.814 -6.790 185 3HG2 THR 24 3HG2 THR 24 10.917 1.537 -7.142 186 H ASP 25 H ASP 25 9.239 2.760 -6.338 187 HA ASP 25 HA ASP 25 10.983 5.129 -6.204 188 1HB ASP 25 2HB ASP 25 10.230 4.467 -8.404 189 2HB ASP 25 1HB ASP 25 8.546 4.467 -7.878 190 H ALA 26 H ALA 26 7.571 4.284 -5.512 191 HA ALA 26 HA ALA 26 7.013 6.961 -4.508 192 1HB ALA 26 1HB ALA 26 4.987 5.652 -3.499 193 2HB ALA 26 2HB ALA 26 5.561 4.325 -4.509 194 3HB ALA 26 3HB ALA 26 5.080 5.851 -5.246 195 H ASP 27 H ASP 27 8.138 3.889 -3.271 196 HA ASP 27 HA ASP 27 7.799 4.405 -0.484 197 1HB ASP 27 2HB ASP 27 8.328 2.183 -1.237 198 2HB ASP 27 1HB ASP 27 9.794 2.745 -2.038 199 H LEU 28 H LEU 28 10.463 5.125 -2.732 200 HA LEU 28 HA LEU 28 12.149 6.296 -0.683 201 1HB LEU 28 2HB LEU 28 12.206 6.015 -3.646 202 2HB LEU 28 1HB LEU 28 13.128 7.360 -2.980 203 HG LEU 28 HG LEU 28 14.414 5.183 -3.239 204 1HD1 LEU 28 1HD1 LEU 28 14.801 7.136 -1.494 205 2HD1 LEU 28 2HD1 LEU 28 15.727 5.642 -1.381 206 3HD1 LEU 28 3HD1 LEU 28 14.341 5.899 -0.325 207 1HD2 LEU 28 1HD2 LEU 28 13.096 4.227 -0.723 208 2HD2 LEU 28 2HD2 LEU 28 13.890 3.302 -1.997 209 3HD2 LEU 28 3HD2 LEU 28 12.267 3.939 -2.251 210 H ALA 29 H ALA 29 10.123 7.712 -3.274 211 HA ALA 29 HA ALA 29 10.616 10.431 -2.563 212 1HB ALA 29 1HB ALA 29 8.631 10.956 -3.871 213 2HB ALA 29 2HB ALA 29 8.093 9.278 -3.781 214 3HB ALA 29 3HB ALA 29 9.546 9.691 -4.692 215 H CYS 30 H CYS 30 7.862 8.298 -1.645 216 HA CYS 30 HA CYS 30 6.683 10.246 0.087 217 1HB CYS 30 2HB CYS 30 6.514 7.218 0.107 218 2HB CYS 30 1HB CYS 30 5.473 8.288 1.054 219 H GLN 31 H GLN 31 9.408 8.130 0.410 220 HA GLN 31 HA GLN 31 9.495 8.262 3.328 221 1HB GLN 31 2HB GLN 31 10.593 6.376 2.283 222 2HB GLN 31 1HB GLN 31 11.548 7.442 1.252 223 1HG GLN 31 2HG GLN 31 12.845 8.226 3.076 224 2HG GLN 31 1HG GLN 31 11.706 7.590 4.264 225 1HE2 GLN 31 1HE2 GLN 31 12.004 5.432 4.964 226 2HE2 GLN 31 2HE2 GLN 31 13.184 4.389 4.332 227 H LYS 32 H LYS 32 10.582 10.141 0.616 228 HA LYS 32 HA LYS 32 12.495 11.728 2.076 229 1HB LYS 32 2HB LYS 32 12.775 11.629 -0.295 230 2HB LYS 32 1HB LYS 32 11.094 12.076 -0.581 231 1HG LYS 32 2HG LYS 32 11.451 14.312 0.113 232 2HG LYS 32 1HG LYS 32 12.993 13.919 0.869 233 1HD LYS 32 2HD LYS 32 12.474 13.678 -2.107 234 2HD LYS 32 1HD LYS 32 13.195 15.100 -1.358 235 1HE LYS 32 2HE LYS 32 14.807 13.219 -0.294 236 2HE LYS 32 1HE LYS 32 14.359 12.387 -1.783 237 1HZ LYS 32 1HZ LYS 32 15.506 13.825 -3.029 238 2HZ LYS 32 2HZ LYS 32 16.322 14.200 -1.587 239 3HZ LYS 32 3HZ LYS 32 15.034 15.175 -2.115 240 H ARG 33 H ARG 33 9.113 11.578 2.003 241 HA ARG 33 HA ARG 33 8.570 14.393 2.503 242 1HB ARG 33 2HB ARG 33 7.017 11.860 2.402 243 2HB ARG 33 1HB ARG 33 6.344 13.139 3.407 244 1HG ARG 33 2HG ARG 33 6.316 14.679 1.540 245 2HG ARG 33 1HG ARG 33 7.210 13.546 0.530 246 1HD ARG 33 2HD ARG 33 5.367 12.218 0.147 247 2HD ARG 33 1HD ARG 33 4.656 12.568 1.722 248 HE ARG 33 HE ARG 33 3.503 14.360 0.724 249 1HH1 ARG 33 1HH2 ARG 33 6.422 15.110 -0.403 250 2HH1 ARG 33 2HH2 ARG 33 5.977 15.420 -2.049 251 1HH2 ARG 33 1HH1 ARG 33 2.819 14.023 -1.735 252 2HH2 ARG 33 2HH1 ARG 33 3.936 14.805 -2.804 253 HA PRO 34 HA PRO 34 9.356 14.824 6.802 254 1HB PRO 34 2HB PRO 34 6.628 15.372 7.589 255 2HB PRO 34 1HB PRO 34 7.961 16.512 7.386 256 1HG PRO 34 2HG PRO 34 5.706 15.995 5.606 257 2HG PRO 34 1HG PRO 34 6.871 17.322 5.566 258 1HD PRO 34 2HD PRO 34 6.747 15.246 3.704 259 2HD PRO 34 1HD PRO 34 8.172 16.276 3.980 260 H SER 35 H SER 35 9.693 12.434 6.794 261 HA SER 35 HA SER 35 9.398 10.363 7.826 262 1HB SER 35 2HB SER 35 8.627 12.014 9.736 263 2HB SER 35 1HB SER 35 7.020 11.411 9.337 264 HG SER 35 HG SER 35 8.616 10.272 10.937 265 H GLY 36 H GLY 36 7.742 11.442 5.457 266 1HA GLY 36 2HA GLY 36 5.243 9.938 5.660 267 2HA GLY 36 1HA GLY 36 5.845 10.747 4.213 268 H ASN 37 H ASN 37 4.851 8.465 3.531 269 HA ASN 37 HA ASN 37 6.802 6.895 2.315 270 1HB ASN 37 2HB ASN 37 6.580 6.324 5.195 271 2HB ASN 37 1HB ASN 37 6.342 4.893 4.195 272 1HD2 ASN 37 1HD2 ASN 37 8.099 4.554 2.448 273 2HD2 ASN 37 2HD2 ASN 37 9.691 4.980 2.858 274 H LEU 38 H LEU 38 5.784 5.239 1.071 275 HA LEU 38 HA LEU 38 3.252 5.233 0.258 276 1HB LEU 38 2HB LEU 38 4.802 2.787 1.099 277 2HB LEU 38 1HB LEU 38 3.256 2.676 0.264 278 HG LEU 38 HG LEU 38 5.546 4.323 -0.813 279 1HD1 LEU 38 1HD1 LEU 38 6.167 1.877 -0.511 280 2HD1 LEU 38 2HD1 LEU 38 6.218 2.459 -2.177 281 3HD1 LEU 38 3HD1 LEU 38 4.856 1.488 -1.624 282 1HD2 LEU 38 1HD2 LEU 38 3.615 4.936 -1.956 283 2HD2 LEU 38 2HD2 LEU 38 2.892 3.336 -1.807 284 3HD2 LEU 38 3HD2 LEU 38 4.194 3.608 -2.958 285 H VAL 39 H VAL 39 1.200 4.970 0.999 286 HA VAL 39 HA VAL 39 0.299 5.383 3.505 287 HB VAL 39 HB VAL 39 -1.043 4.892 1.380 288 1HG1 VAL 39 1HG1 VAL 39 -1.225 2.113 2.537 289 2HG1 VAL 39 2HG1 VAL 39 -0.055 2.514 1.280 290 3HG1 VAL 39 3HG1 VAL 39 -1.781 2.684 0.963 291 1HG2 VAL 39 1HG2 VAL 39 -1.761 4.452 4.209 292 2HG2 VAL 39 2HG2 VAL 39 -2.870 3.696 3.069 293 3HG2 VAL 39 3HG2 VAL 39 -2.570 5.429 2.985 294 H SER 40 H SER 40 -0.394 4.142 5.310 295 HA SER 40 HA SER 40 1.066 1.550 5.675 296 1HB SER 40 2HB SER 40 1.887 2.477 7.572 297 2HB SER 40 1HB SER 40 0.985 3.953 7.253 298 HG SER 40 HG SER 40 0.287 3.101 9.194 299 H VAL 41 H VAL 41 -0.134 -0.020 7.143 300 HA VAL 41 HA VAL 41 -3.034 0.452 7.409 301 HB VAL 41 HB VAL 41 -2.461 -2.117 6.041 302 1HG1 VAL 41 1HG1 VAL 41 -4.727 -1.113 6.669 303 2HG1 VAL 41 2HG1 VAL 41 -4.560 -1.703 5.015 304 3HG1 VAL 41 3HG1 VAL 41 -4.467 0.026 5.348 305 1HG2 VAL 41 1HG2 VAL 41 -0.945 -0.503 4.828 306 2HG2 VAL 41 2HG2 VAL 41 -2.368 0.470 4.459 307 3HG2 VAL 41 3HG2 VAL 41 -2.231 -1.167 3.823 308 H LEU 42 H LEU 42 -2.665 0.141 9.675 309 HA LEU 42 HA LEU 42 -1.830 -2.631 10.463 310 1HB LEU 42 2HB LEU 42 -1.611 0.009 11.915 311 2HB LEU 42 1HB LEU 42 -1.413 -1.541 12.732 312 HG LEU 42 HG LEU 42 0.195 -0.630 10.335 313 1HD1 LEU 42 1HD1 LEU 42 0.417 0.150 13.047 314 2HD1 LEU 42 2HD1 LEU 42 1.595 0.409 11.764 315 3HD1 LEU 42 3HD1 LEU 42 1.699 -1.029 12.781 316 1HD2 LEU 42 1HD2 LEU 42 1.603 -2.654 11.509 317 2HD2 LEU 42 2HD2 LEU 42 0.462 -2.901 10.190 318 3HD2 LEU 42 3HD2 LEU 42 -0.045 -3.176 11.851 319 H SER 43 H SER 43 -4.615 -1.168 9.862 320 HA SER 43 HA SER 43 -5.968 -2.565 12.110 321 1HB SER 43 2HB SER 43 -6.803 0.235 11.358 322 2HB SER 43 1HB SER 43 -7.257 -0.697 12.782 323 HG SER 43 HG SER 43 -5.610 0.223 13.693 324 H GLY 44 H GLY 44 -8.083 -3.253 11.604 325 1HA GLY 44 2HA GLY 44 -8.626 -3.758 8.835 326 2HA GLY 44 1HA GLY 44 -9.768 -4.015 10.158 327 H ALA 45 H ALA 45 -9.255 -1.067 10.892 328 HA ALA 45 HA ALA 45 -11.453 -0.006 9.258 329 1HB ALA 45 1HB ALA 45 -11.339 0.477 11.685 330 2HB ALA 45 2HB ALA 45 -11.281 1.961 10.733 331 3HB ALA 45 3HB ALA 45 -9.802 1.308 11.441 332 H GLU 46 H GLU 46 -7.973 0.470 9.656 333 HA GLU 46 HA GLU 46 -7.790 2.775 7.930 334 1HB GLU 46 2HB GLU 46 -6.042 1.933 9.615 335 2HB GLU 46 1HB GLU 46 -5.594 0.746 8.390 336 1HG GLU 46 2HG GLU 46 -5.136 2.545 6.784 337 2HG GLU 46 1HG GLU 46 -5.627 3.750 7.975 338 H GLY 47 H GLY 47 -7.423 -0.729 7.416 339 1HA GLY 47 2HA GLY 47 -6.619 -0.650 4.698 340 2HA GLY 47 1HA GLY 47 -7.529 -1.976 5.427 341 H SER 48 H SER 48 -9.799 -0.320 6.187 342 HA SER 48 HA SER 48 -11.175 -0.303 3.593 343 1HB SER 48 2HB SER 48 -12.415 -1.185 5.468 344 2HB SER 48 1HB SER 48 -12.093 0.258 6.427 345 HG SER 48 HG SER 48 -13.294 0.625 3.946 346 H PHE 49 H PHE 49 -9.906 2.001 5.922 347 HA PHE 49 HA PHE 49 -11.226 4.326 4.844 348 1HB PHE 49 2HB PHE 49 -9.959 4.029 7.109 349 2HB PHE 49 1HB PHE 49 -8.516 4.404 6.169 350 HD1 PHE 49 1HD PHE 49 -8.485 6.563 4.796 351 HD2 PHE 49 2HD PHE 49 -11.429 5.744 7.815 352 HE1 PHE 49 1HE PHE 49 -9.031 8.980 4.920 353 HE2 PHE 49 2HE PHE 49 -11.975 8.159 7.939 354 HZ PHE 49 HZ PHE 49 -10.776 9.777 6.491 355 H VAL 50 H VAL 50 -7.938 2.990 4.361 356 HA VAL 50 HA VAL 50 -7.145 4.902 2.392 357 HB VAL 50 HB VAL 50 -6.268 1.999 2.558 358 1HG1 VAL 50 1HG1 VAL 50 -4.274 2.756 1.454 359 2HG1 VAL 50 2HG1 VAL 50 -4.747 4.445 1.622 360 3HG1 VAL 50 3HG1 VAL 50 -5.634 3.385 0.527 361 1HG2 VAL 50 1HG2 VAL 50 -4.934 4.365 3.891 362 2HG2 VAL 50 2HG2 VAL 50 -4.645 2.648 4.174 363 3HG2 VAL 50 3HG2 VAL 50 -6.143 3.393 4.729 364 H SER 51 H SER 51 -8.971 1.890 2.219 365 HA SER 51 HA SER 51 -8.972 1.572 -0.614 366 1HB SER 51 2HB SER 51 -9.798 -0.252 0.662 367 2HB SER 51 1HB SER 51 -10.918 0.775 1.553 368 HG SER 51 HG SER 51 -11.214 0.808 -1.189 369 H SER 52 H SER 52 -11.359 3.181 1.517 370 HA SER 52 HA SER 52 -13.012 4.154 -0.602 371 1HB SER 52 2HB SER 52 -14.023 4.268 1.504 372 2HB SER 52 1HB SER 52 -12.584 4.938 2.268 373 HG SER 52 HG SER 52 -14.062 6.583 1.998 374 H LEU 53 H LEU 53 -9.952 5.246 0.630 375 HA LEU 53 HA LEU 53 -10.168 7.955 -0.422 376 1HB LEU 53 2HB LEU 53 -8.648 7.738 1.372 377 2HB LEU 53 1HB LEU 53 -7.951 6.261 0.718 378 HG LEU 53 HG LEU 53 -6.991 7.600 -1.173 379 1HD1 LEU 53 1HD1 LEU 53 -6.928 10.088 -0.843 380 2HD1 LEU 53 2HD1 LEU 53 -8.063 9.909 0.494 381 3HD1 LEU 53 3HD1 LEU 53 -8.558 9.487 -1.145 382 1HD2 LEU 53 1HD2 LEU 53 -5.154 8.433 0.094 383 2HD2 LEU 53 2HD2 LEU 53 -5.804 7.101 1.051 384 3HD2 LEU 53 3HD2 LEU 53 -6.172 8.767 1.496 385 H VAL 54 H VAL 54 -9.254 4.836 -1.654 386 HA VAL 54 HA VAL 54 -8.357 6.133 -4.202 387 HB VAL 54 HB VAL 54 -6.904 4.196 -4.548 388 1HG1 VAL 54 1HG1 VAL 54 -6.228 6.192 -3.085 389 2HG1 VAL 54 2HG1 VAL 54 -5.284 4.717 -2.878 390 3HG1 VAL 54 3HG1 VAL 54 -6.524 5.141 -1.700 391 1HG2 VAL 54 1HG2 VAL 54 -8.046 2.380 -3.542 392 2HG2 VAL 54 2HG2 VAL 54 -8.259 3.247 -2.021 393 3HG2 VAL 54 3HG2 VAL 54 -6.666 2.643 -2.475 394 H LYS 55 H LYS 55 -11.059 4.983 -3.113 395 HA LYS 55 HA LYS 55 -11.566 2.806 -5.031 396 1HB LYS 55 2HB LYS 55 -12.595 3.034 -2.670 397 2HB LYS 55 1HB LYS 55 -13.652 4.248 -3.389 398 1HG LYS 55 2HG LYS 55 -14.151 2.449 -5.191 399 2HG LYS 55 1HG LYS 55 -13.450 1.309 -4.043 400 1HD LYS 55 2HD LYS 55 -15.707 3.211 -3.354 401 2HD LYS 55 1HD LYS 55 -15.954 1.540 -3.861 402 1HE LYS 55 2HE LYS 55 -14.427 0.845 -1.962 403 2HE LYS 55 1HE LYS 55 -14.485 2.514 -1.397 404 1HZ LYS 55 1HZ LYS 55 -16.269 0.562 -0.775 405 2HZ LYS 55 2HZ LYS 55 -17.076 1.442 -1.982 406 3HZ LYS 55 3HZ LYS 55 -16.519 2.229 -0.583 407 H SER 56 H SER 56 -11.700 6.224 -5.016 408 HA SER 56 HA SER 56 -13.624 6.247 -7.306 409 1HB SER 56 2HB SER 56 -13.567 8.774 -6.858 410 2HB SER 56 1HB SER 56 -14.351 7.775 -5.637 411 HG SER 56 HG SER 56 -12.078 9.291 -5.490 412 H ILE 57 H ILE 57 -10.603 5.602 -7.222 413 HA ILE 57 HA ILE 57 -9.162 7.695 -8.471 414 HB ILE 57 HB ILE 57 -8.020 5.769 -7.575 415 1HG1 ILE 57 2HG1 ILE 57 -7.798 5.631 -10.591 416 2HG1 ILE 57 1HG1 ILE 57 -7.068 6.903 -9.613 417 1HG2 ILE 57 1HG2 ILE 57 -9.169 4.018 -9.742 418 2HG2 ILE 57 2HG2 ILE 57 -10.031 4.228 -8.219 419 3HG2 ILE 57 3HG2 ILE 57 -8.406 3.547 -8.223 420 1HD1 ILE 57 1HD1 ILE 57 -6.560 3.951 -9.184 421 2HD1 ILE 57 2HD1 ILE 57 -5.731 5.297 -8.403 422 3HD1 ILE 57 3HD1 ILE 57 -5.504 5.005 -10.126 423 H GLY 58 H GLY 58 -10.730 4.862 -10.030 424 1HA GLY 58 2HA GLY 58 -12.219 5.783 -12.013 425 2HA GLY 58 1HA GLY 58 -10.656 6.339 -12.613 426 H ASN 59 H ASN 59 -12.470 4.321 -13.792 427 HA ASN 59 HA ASN 59 -11.617 1.678 -13.374 428 1HB ASN 59 2HB ASN 59 -12.366 2.845 -16.061 429 2HB ASN 59 1HB ASN 59 -12.555 1.174 -15.528 430 1HD2 ASN 59 1HD2 ASN 59 -13.612 4.494 -14.573 431 2HD2 ASN 59 2HD2 ASN 59 -15.148 4.007 -14.042 432 H SER 60 H SER 60 -10.029 4.306 -15.043 433 HA SER 60 HA SER 60 -8.212 2.755 -16.625 434 1HB SER 60 2HB SER 60 -6.784 4.863 -16.496 435 2HB SER 60 1HB SER 60 -8.416 5.086 -17.121 436 HG SER 60 HG SER 60 -8.256 5.261 -14.399 437 H TYR 61 H TYR 61 -8.592 2.375 -13.487 438 HA TYR 61 HA TYR 61 -5.862 1.428 -13.065 439 1HB TYR 61 2HB TYR 61 -6.993 3.706 -11.429 440 2HB TYR 61 1HB TYR 61 -5.585 2.760 -10.951 441 HD1 TYR 61 1HD TYR 61 -6.565 5.708 -12.551 442 HD2 TYR 61 2HD TYR 61 -3.808 2.442 -12.979 443 HE1 TYR 61 1HE TYR 61 -5.125 7.112 -14.000 444 HE2 TYR 61 2HE TYR 61 -2.369 3.847 -14.428 445 HH TYR 61 HH TYR 61 -1.949 6.274 -14.800 446 H SER 62 H SER 62 -6.099 -0.456 -11.994 447 HA SER 62 HA SER 62 -8.575 -0.852 -10.357 448 1HB SER 62 2HB SER 62 -7.053 -2.574 -12.241 449 2HB SER 62 1HB SER 62 -7.695 -3.370 -10.808 450 HG SER 62 HG SER 62 -9.031 -2.047 -12.896 451 H TYR 63 H TYR 63 -5.056 -1.220 -10.420 452 HA TYR 63 HA TYR 63 -5.209 -2.125 -7.570 453 1HB TYR 63 2HB TYR 63 -3.114 -2.495 -9.703 454 2HB TYR 63 1HB TYR 63 -2.754 -2.753 -7.998 455 HD1 TYR 63 1HD TYR 63 -5.425 -3.628 -10.488 456 HD2 TYR 63 2HD TYR 63 -3.025 -4.915 -7.167 457 HE1 TYR 63 1HE TYR 63 -6.460 -5.875 -10.611 458 HE2 TYR 63 2HE TYR 63 -4.059 -7.165 -7.296 459 HH TYR 63 HH TYR 63 -5.506 -8.465 -8.350 460 H VAL 64 H VAL 64 -3.472 -1.295 -6.135 461 HA VAL 64 HA VAL 64 -2.392 1.381 -6.889 462 HB VAL 64 HB VAL 64 -4.080 0.826 -4.425 463 1HG1 VAL 64 1HG1 VAL 64 -2.128 2.497 -4.264 464 2HG1 VAL 64 2HG1 VAL 64 -3.723 3.058 -3.773 465 3HG1 VAL 64 3HG1 VAL 64 -3.080 3.508 -5.351 466 1HG2 VAL 64 1HG2 VAL 64 -5.502 0.995 -6.363 467 2HG2 VAL 64 2HG2 VAL 64 -4.610 2.396 -6.957 468 3HG2 VAL 64 3HG2 VAL 64 -5.598 2.531 -5.503 469 H TRP 65 H TRP 65 -0.403 1.796 -5.852 470 HA TRP 65 HA TRP 65 0.866 -0.504 -4.573 471 1HB TRP 65 2HB TRP 65 1.716 2.096 -5.664 472 2HB TRP 65 1HB TRP 65 2.641 1.586 -4.264 473 HD1 TRP 65 HD TRP 65 3.439 1.742 -7.476 474 HE1 TRP 65 1HE TRP 65 4.655 -0.298 -8.464 475 HE3 TRP 65 3HE TRP 65 2.164 -1.823 -4.031 476 HZ2 TRP 65 2HZ TRP 65 5.008 -3.058 -7.901 477 HZ3 TRP 65 3HZ TRP 65 2.959 -4.148 -4.304 478 HH2 TRP 65 HH TRP 65 4.378 -4.771 -6.228 479 H ILE 66 H ILE 66 1.681 -0.580 -2.400 480 HA ILE 66 HA ILE 66 0.943 1.694 -0.631 481 HB ILE 66 HB ILE 66 -0.003 0.179 1.071 482 1HG1 ILE 66 2HG1 ILE 66 0.383 -1.945 -1.057 483 2HG1 ILE 66 1HG1 ILE 66 1.170 -1.889 0.521 484 1HG2 ILE 66 1HG2 ILE 66 -2.121 -0.119 0.038 485 2HG2 ILE 66 2HG2 ILE 66 -1.396 -0.372 -1.549 486 3HG2 ILE 66 3HG2 ILE 66 -1.386 1.234 -0.821 487 1HD1 ILE 66 1HD1 ILE 66 -1.760 -2.344 -0.084 488 2HD1 ILE 66 2HD1 ILE 66 -1.197 -1.894 1.524 489 3HD1 ILE 66 3HD1 ILE 66 -0.655 -3.404 0.790 490 H GLY 67 H GLY 67 2.022 1.109 1.689 491 1HA GLY 67 2HA GLY 67 4.817 0.499 1.017 492 2HA GLY 67 1HA GLY 67 4.243 1.207 2.521 493 H LEU 68 H LEU 68 3.412 -1.918 0.918 494 HA LEU 68 HA LEU 68 4.558 -3.234 3.332 495 1HB LEU 68 2HB LEU 68 2.100 -3.187 3.609 496 2HB LEU 68 1HB LEU 68 1.917 -3.992 2.059 497 HG LEU 68 HG LEU 68 2.859 -6.018 2.861 498 1HD1 LEU 68 1HD1 LEU 68 3.886 -4.356 5.164 499 2HD1 LEU 68 2HD1 LEU 68 4.837 -5.282 4.002 500 3HD1 LEU 68 3HD1 LEU 68 3.863 -6.113 5.208 501 1HD2 LEU 68 1HD2 LEU 68 1.517 -5.012 5.363 502 2HD2 LEU 68 2HD2 LEU 68 1.463 -6.627 4.662 503 3HD2 LEU 68 3HD2 LEU 68 0.600 -5.300 3.886 504 H HIS 69 H HIS 69 5.954 -4.808 2.810 505 HA HIS 69 HA HIS 69 5.713 -6.030 0.094 506 1HB HIS 69 2HB HIS 69 8.182 -6.176 0.039 507 2HB HIS 69 1HB HIS 69 7.641 -4.501 0.147 508 HD1 HIS 69 1HD HIS 69 10.067 -6.630 1.602 509 HD2 HIS 69 2HD HIS 69 7.420 -3.820 3.144 510 HE1 HIS 69 1HE HIS 69 10.963 -5.985 3.883 511 H ASP 70 H ASP 70 7.362 -8.002 0.173 512 HA ASP 70 HA ASP 70 6.487 -9.683 2.481 513 1HB ASP 70 2HB ASP 70 7.277 -10.471 -0.338 514 2HB ASP 70 1HB ASP 70 6.830 -11.600 0.941 515 HA PRO 71 HA PRO 71 11.103 -8.963 2.884 516 1HB PRO 71 2HB PRO 71 10.724 -9.605 5.670 517 2HB PRO 71 1HB PRO 71 11.160 -8.052 4.954 518 1HG PRO 71 2HG PRO 71 8.632 -8.866 6.081 519 2HG PRO 71 1HG PRO 71 9.119 -7.276 5.488 520 1HD PRO 71 2HD PRO 71 7.264 -9.036 4.271 521 2HD PRO 71 1HD PRO 71 7.943 -7.551 3.565 522 H THR 72 H THR 72 9.191 -11.550 2.640 523 HA THR 72 HA THR 72 10.792 -13.558 4.031 524 HB THR 72 HB THR 72 9.322 -15.174 2.914 525 HG1 THR 72 1HG THR 72 8.719 -12.903 1.383 526 1HG2 THR 72 1HG2 THR 72 7.283 -14.529 3.939 527 2HG2 THR 72 2HG2 THR 72 7.612 -12.814 3.697 528 3HG2 THR 72 3HG2 THR 72 8.536 -13.731 4.888 529 H GLN 73 H GLN 73 10.601 -12.197 0.779 530 HA GLN 73 HA GLN 73 11.897 -12.640 -1.139 531 1HB GLN 73 2HB GLN 73 13.845 -12.894 1.158 532 2HB GLN 73 1HB GLN 73 14.368 -13.032 -0.522 533 1HG GLN 73 2HG GLN 73 13.342 -10.805 -0.985 534 2HG GLN 73 1HG GLN 73 12.950 -10.662 0.729 535 1HE2 GLN 73 1HE2 GLN 73 14.807 -8.916 -0.781 536 2HE2 GLN 73 2HE2 GLN 73 16.326 -9.084 -0.043 537 H GLY 74 H GLY 74 10.579 -14.982 0.358 538 1HA GLY 74 2HA GLY 74 10.381 -17.274 -0.160 539 2HA GLY 74 1HA GLY 74 11.668 -17.065 -1.350 540 H THR 75 H THR 75 12.582 -15.828 1.657 541 HA THR 75 HA THR 75 14.431 -18.095 2.057 542 HB THR 75 HB THR 75 15.513 -16.648 3.700 543 HG1 THR 75 1HG THR 75 14.589 -14.621 4.146 544 1HG2 THR 75 1HG2 THR 75 16.044 -14.719 2.233 545 2HG2 THR 75 2HG2 THR 75 14.673 -15.142 1.206 546 3HG2 THR 75 3HG2 THR 75 16.046 -16.242 1.344 547 H GLU 76 H GLU 76 11.904 -16.377 3.911 548 HA GLU 76 HA GLU 76 11.979 -17.791 6.299 549 1HB GLU 76 2HB GLU 76 9.721 -16.631 4.691 550 2HB GLU 76 1HB GLU 76 9.351 -17.548 6.149 551 1HG GLU 76 2HG GLU 76 11.350 -15.275 6.109 552 2HG GLU 76 1HG GLU 76 9.641 -15.041 6.483 553 HA PRO 77 HA PRO 77 11.182 -22.056 5.454 554 1HB PRO 77 2HB PRO 77 9.120 -22.343 7.443 555 2HB PRO 77 1HB PRO 77 10.814 -22.829 7.548 556 1HG PRO 77 2HG PRO 77 9.498 -20.579 8.816 557 2HG PRO 77 1HG PRO 77 11.144 -21.173 9.056 558 1HD PRO 77 2HD PRO 77 10.401 -18.768 7.756 559 2HD PRO 77 1HD PRO 77 12.016 -19.517 7.744 560 H ASN 78 H ASN 78 7.977 -20.845 6.488 561 HA ASN 78 HA ASN 78 6.799 -22.178 4.130 562 1HB ASN 78 2HB ASN 78 5.459 -20.692 6.410 563 2HB ASN 78 1HB ASN 78 4.643 -21.670 5.191 564 1HD2 ASN 78 1HD2 ASN 78 6.177 -23.954 5.025 565 2HD2 ASN 78 2HD2 ASN 78 6.264 -24.732 6.530 566 H GLY 79 H GLY 79 7.272 -18.924 5.434 567 1HA GLY 79 2HA GLY 79 7.586 -17.056 3.865 568 2HA GLY 79 1HA GLY 79 6.446 -17.839 2.772 569 H GLU 80 H GLU 80 6.726 -16.047 5.801 570 HA GLU 80 HA GLU 80 4.035 -14.955 5.387 571 1HB GLU 80 2HB GLU 80 3.330 -15.635 7.736 572 2HB GLU 80 1HB GLU 80 3.382 -16.946 6.557 573 1HG GLU 80 2HG GLU 80 5.631 -17.578 7.358 574 2HG GLU 80 1HG GLU 80 5.572 -16.275 8.545 575 H GLY 81 H GLY 81 6.167 -13.411 5.248 576 1HA GLY 81 2HA GLY 81 6.797 -12.334 7.943 577 2HA GLY 81 1HA GLY 81 7.611 -11.891 6.442 578 H TRP 82 H TRP 82 6.304 -10.606 4.866 579 HA TRP 82 HA TRP 82 4.996 -8.720 4.383 580 1HB TRP 82 2HB TRP 82 3.145 -9.483 6.626 581 2HB TRP 82 1HB TRP 82 2.755 -8.813 5.042 582 HD1 TRP 82 HD TRP 82 4.698 -10.972 3.493 583 HE1 TRP 82 1HE TRP 82 3.767 -13.351 3.144 584 HE3 TRP 82 3HE TRP 82 1.059 -11.030 7.077 585 HZ2 TRP 82 2HZ TRP 82 1.746 -15.052 4.241 586 HZ3 TRP 82 3HZ TRP 82 -0.352 -13.040 7.403 587 HH2 TRP 82 HH TRP 82 -0.014 -15.051 5.991 588 H GLU 83 H GLU 83 6.162 -6.898 5.021 589 HA GLU 83 HA GLU 83 5.592 -5.916 7.789 590 1HB GLU 83 2HB GLU 83 7.943 -7.105 7.414 591 2HB GLU 83 1HB GLU 83 8.367 -5.541 6.719 592 1HG GLU 83 2HG GLU 83 7.273 -4.582 8.909 593 2HG GLU 83 1HG GLU 83 7.559 -6.206 9.536 594 H TRP 84 H TRP 84 4.927 -3.810 7.704 595 HA TRP 84 HA TRP 84 4.851 -2.386 5.217 596 1HB TRP 84 2HB TRP 84 4.570 -0.964 7.828 597 2HB TRP 84 1HB TRP 84 3.609 -0.805 6.355 598 HD1 TRP 84 HD TRP 84 4.103 -3.115 9.372 599 HE1 TRP 84 1HE TRP 84 1.994 -4.568 9.647 600 HE3 TRP 84 3HE TRP 84 1.543 -1.752 5.177 601 HZ2 TRP 84 2HZ TRP 84 -0.453 -5.094 8.265 602 HZ3 TRP 84 3HZ TRP 84 -0.669 -2.751 4.674 603 HH2 TRP 84 HH TRP 84 -1.670 -4.412 6.213 604 H SER 85 H SER 85 5.928 -0.314 4.758 605 HA SER 85 HA SER 85 8.693 -0.381 5.784 606 1HB SER 85 2HB SER 85 8.300 -0.206 3.328 607 2HB SER 85 1HB SER 85 7.493 1.338 3.596 608 HG SER 85 HG SER 85 9.600 1.817 4.770 609 H SER 86 H SER 86 5.885 1.037 6.676 610 HA SER 86 HA SER 86 7.330 3.034 8.272 611 1HB SER 86 2HB SER 86 5.622 4.813 7.521 612 2HB SER 86 1HB SER 86 6.935 4.442 6.410 613 HG SER 86 HG SER 86 4.217 3.870 6.251 614 H SER 87 H SER 87 5.403 0.549 8.327 615 HA SER 87 HA SER 87 3.519 1.817 10.305 616 1HB SER 87 2HB SER 87 2.800 0.444 7.990 617 2HB SER 87 1HB SER 87 2.563 -0.730 9.280 618 HG SER 87 HG SER 87 0.935 1.136 8.648 619 H ASP 88 H ASP 88 6.236 0.138 10.286 620 HA ASP 88 HA ASP 88 7.226 -0.997 12.117 621 1HB ASP 88 2HB ASP 88 5.035 -0.069 13.344 622 2HB ASP 88 1HB ASP 88 4.576 -1.771 13.283 623 H VAL 89 H VAL 89 5.701 -3.310 13.320 624 HA VAL 89 HA VAL 89 6.429 -5.257 11.260 625 HB VAL 89 HB VAL 89 5.501 -6.842 13.134 626 1HG1 VAL 89 1HG1 VAL 89 7.960 -5.097 13.348 627 2HG1 VAL 89 2HG1 VAL 89 7.850 -6.746 12.734 628 3HG1 VAL 89 3HG1 VAL 89 7.654 -6.433 14.458 629 1HG2 VAL 89 1HG2 VAL 89 5.983 -4.348 14.773 630 2HG2 VAL 89 2HG2 VAL 89 5.308 -5.886 15.309 631 3HG2 VAL 89 3HG2 VAL 89 4.367 -4.831 14.255 632 H MET 90 H MET 90 4.614 -7.249 11.468 633 HA MET 90 HA MET 90 2.309 -6.126 10.049 634 1HB MET 90 2HB MET 90 3.519 -8.282 9.417 635 2HB MET 90 1HB MET 90 2.763 -9.014 10.830 636 1HG MET 90 2HG MET 90 1.088 -7.559 8.792 637 2HG MET 90 1HG MET 90 1.562 -9.235 8.530 638 1HE MET 90 1HE MET 90 0.069 -11.199 9.384 639 2HE MET 90 2HE MET 90 -0.055 -11.299 11.139 640 3HE MET 90 3HE MET 90 1.501 -10.946 10.391 641 H ASN 91 H ASN 91 1.222 -4.968 11.779 642 HA ASN 91 HA ASN 91 0.269 -6.605 14.061 643 1HB ASN 91 2HB ASN 91 0.933 -3.903 13.803 644 2HB ASN 91 1HB ASN 91 -0.830 -3.889 13.852 645 1HD2 ASN 91 1HD2 ASN 91 1.700 -5.854 15.540 646 2HD2 ASN 91 2HD2 ASN 91 1.063 -5.597 17.092 647 H TYR 92 H TYR 92 -0.601 -6.011 10.924 648 HA TYR 92 HA TYR 92 -3.388 -6.841 11.477 649 1HB TYR 92 2HB TYR 92 -3.459 -4.398 11.146 650 2HB TYR 92 1HB TYR 92 -2.644 -4.591 9.593 651 HD1 TYR 92 1HD TYR 92 -5.549 -6.167 11.397 652 HD2 TYR 92 2HD TYR 92 -4.035 -4.518 7.728 653 HE1 TYR 92 1HE TYR 92 -7.729 -6.602 10.302 654 HE2 TYR 92 2HE TYR 92 -6.218 -4.954 6.636 655 HH TYR 92 HH TYR 92 -8.295 -5.676 6.905 656 H PHE 93 H PHE 93 -4.300 -8.101 9.750 657 HA PHE 93 HA PHE 93 -2.402 -8.781 7.539 658 1HB PHE 93 2HB PHE 93 -3.301 -11.168 7.798 659 2HB PHE 93 1HB PHE 93 -2.181 -10.612 9.042 660 HD1 PHE 93 1HD PHE 93 -2.933 -10.135 11.303 661 HD2 PHE 93 2HD PHE 93 -5.711 -11.357 8.262 662 HE1 PHE 93 1HE PHE 93 -4.656 -10.540 13.039 663 HE2 PHE 93 2HE PHE 93 -7.434 -11.763 10.000 664 HZ PHE 93 HZ PHE 93 -6.906 -11.354 12.388 665 H ALA 94 H ALA 94 -3.395 -9.263 5.546 666 HA ALA 94 HA ALA 94 -6.235 -9.679 5.267 667 1HB ALA 94 1HB ALA 94 -7.049 -7.592 4.818 668 2HB ALA 94 2HB ALA 94 -5.575 -7.088 3.993 669 3HB ALA 94 3HB ALA 94 -5.658 -7.052 5.754 670 H TRP 95 H TRP 95 -3.477 -10.522 4.271 671 HA TRP 95 HA TRP 95 -3.197 -9.858 1.513 672 1HB TRP 95 2HB TRP 95 -2.341 -12.202 3.204 673 2HB TRP 95 1HB TRP 95 -2.091 -12.237 1.458 674 HD1 TRP 95 HD TRP 95 -0.922 -10.510 4.632 675 HE1 TRP 95 1HE TRP 95 1.175 -9.108 4.102 676 HE3 TRP 95 3HE TRP 95 -0.865 -10.897 -0.459 677 HZ2 TRP 95 2HZ TRP 95 2.680 -8.263 1.819 678 HZ3 TRP 95 3HZ TRP 95 0.909 -9.788 -1.785 679 HH2 TRP 95 HH TRP 95 2.681 -8.472 -0.654 680 H GLU 96 H GLU 96 -3.816 -11.143 -0.365 681 HA GLU 96 HA GLU 96 -6.521 -12.246 -0.102 682 1HB GLU 96 2HB GLU 96 -5.717 -10.819 -2.051 683 2HB GLU 96 1HB GLU 96 -4.773 -12.214 -2.575 684 1HG GLU 96 2HG GLU 96 -6.853 -13.571 -2.641 685 2HG GLU 96 1HG GLU 96 -7.780 -12.138 -2.191 686 H ARG 97 H ARG 97 -3.269 -13.449 -0.862 687 HA ARG 97 HA ARG 97 -4.170 -16.174 -0.122 688 1HB ARG 97 2HB ARG 97 -3.013 -15.393 -2.804 689 2HB ARG 97 1HB ARG 97 -2.885 -17.040 -2.182 690 1HG ARG 97 2HG ARG 97 -5.338 -17.156 -1.958 691 2HG ARG 97 1HG ARG 97 -5.475 -15.508 -2.576 692 1HD ARG 97 2HD ARG 97 -4.018 -17.596 -4.182 693 2HD ARG 97 1HD ARG 97 -5.779 -17.514 -4.232 694 HE ARG 97 HE ARG 97 -4.616 -14.905 -4.669 695 1HH1 ARG 97 1HH2 ARG 97 -5.608 -17.896 -6.047 696 2HH1 ARG 97 2HH2 ARG 97 -5.535 -17.326 -7.681 697 1HH2 ARG 97 1HH1 ARG 97 -4.365 -14.180 -6.808 698 2HH2 ARG 97 2HH1 ARG 97 -4.831 -15.221 -8.112 699 H ASN 98 H ASN 98 -2.396 -17.509 0.571 700 HA ASN 98 HA ASN 98 -0.177 -16.001 1.664 701 1HB ASN 98 2HB ASN 98 -0.542 -19.005 1.529 702 2HB ASN 98 1HB ASN 98 0.547 -18.129 2.606 703 1HD2 ASN 98 1HD2 ASN 98 -1.086 -16.033 3.505 704 2HD2 ASN 98 2HD2 ASN 98 -2.409 -16.665 4.359 705 HA PRO 99 HA PRO 99 2.398 -16.344 -1.994 706 1HB PRO 99 2HB PRO 99 4.797 -16.117 -0.417 707 2HB PRO 99 1HB PRO 99 4.017 -14.878 -1.403 708 1HG PRO 99 2HG PRO 99 4.107 -15.063 1.465 709 2HG PRO 99 1HG PRO 99 3.371 -13.800 0.474 710 1HD PRO 99 2HD PRO 99 2.029 -15.797 2.044 711 2HD PRO 99 1HD PRO 99 1.290 -14.573 0.979 712 H SER 100 H SER 100 2.620 -18.401 0.784 713 HA SER 100 HA SER 100 4.688 -20.169 -0.186 714 1HB SER 100 2HB SER 100 4.147 -21.540 1.652 715 2HB SER 100 1HB SER 100 3.730 -19.926 2.217 716 HG SER 100 HG SER 100 2.156 -22.068 1.913 717 H THR 101 H THR 101 1.463 -19.657 -1.148 718 HA THR 101 HA THR 101 1.031 -22.420 -2.086 719 HB THR 101 HB THR 101 -1.069 -21.384 -3.080 720 HG1 THR 101 1HG THR 101 -0.065 -19.158 -1.637 721 1HG2 THR 101 1HG2 THR 101 -2.175 -21.190 -0.919 722 2HG2 THR 101 2HG2 THR 101 -0.627 -20.908 -0.120 723 3HG2 THR 101 3HG2 THR 101 -0.975 -22.481 -0.838 724 H ILE 102 H ILE 102 2.161 -19.356 -3.319 725 HA ILE 102 HA ILE 102 2.187 -20.458 -6.098 726 HB ILE 102 HB ILE 102 2.636 -17.617 -5.146 727 1HG1 ILE 102 2HG1 ILE 102 0.220 -18.769 -6.564 728 2HG1 ILE 102 1HG1 ILE 102 0.303 -18.578 -4.812 729 1HG2 ILE 102 1HG2 ILE 102 2.178 -17.182 -7.629 730 2HG2 ILE 102 2HG2 ILE 102 2.419 -18.912 -7.869 731 3HG2 ILE 102 3HG2 ILE 102 3.734 -17.917 -7.243 732 1HD1 ILE 102 1HD1 ILE 102 0.730 -16.316 -6.782 733 2HD1 ILE 102 2HD1 ILE 102 0.607 -16.183 -5.028 734 3HD1 ILE 102 3HD1 ILE 102 -0.804 -16.647 -5.979 735 H SER 103 H SER 103 4.182 -20.230 -7.328 736 HA SER 103 HA SER 103 6.517 -21.005 -5.879 737 1HB SER 103 2HB SER 103 6.128 -19.970 -8.692 738 2HB SER 103 1HB SER 103 7.697 -20.481 -8.079 739 HG SER 103 HG SER 103 7.080 -22.476 -8.287 740 H SER 104 H SER 104 6.181 -19.044 -4.304 741 HA SER 104 HA SER 104 6.943 -16.970 -3.504 742 1HB SER 104 2HB SER 104 9.262 -16.548 -3.909 743 2HB SER 104 1HB SER 104 9.070 -18.298 -3.914 744 HG SER 104 HG SER 104 10.183 -17.882 -5.736 745 HA PRO 105 HA PRO 105 5.352 -14.673 -7.206 746 1HB PRO 105 2HB PRO 105 4.062 -12.887 -5.349 747 2HB PRO 105 1HB PRO 105 3.313 -14.066 -6.429 748 1HG PRO 105 2HG PRO 105 3.508 -14.197 -3.590 749 2HG PRO 105 1HG PRO 105 2.848 -15.419 -4.679 750 1HD PRO 105 2HD PRO 105 5.360 -15.473 -3.206 751 2HD PRO 105 1HD PRO 105 4.622 -16.769 -4.181 752 H GLY 106 H GLY 106 5.033 -11.855 -6.757 753 1HA GLY 106 2HA GLY 106 7.746 -10.955 -6.985 754 2HA GLY 106 1HA GLY 106 6.343 -9.904 -6.771 755 H HIS 107 H HIS 107 7.830 -8.670 -5.308 756 HA HIS 107 HA HIS 107 7.727 -9.826 -2.554 757 1HB HIS 107 2HB HIS 107 10.033 -8.101 -3.444 758 2HB HIS 107 1HB HIS 107 9.935 -9.182 -2.055 759 HD1 HIS 107 1HD HIS 107 10.316 -11.704 -2.468 760 HD2 HIS 107 2HD HIS 107 10.563 -9.420 -5.931 761 HE1 HIS 107 1HE HIS 107 11.282 -13.197 -4.264 762 H CYS 108 H CYS 108 5.829 -8.097 -3.692 763 HA CYS 108 HA CYS 108 6.092 -5.799 -1.867 764 1HB CYS 108 2HB CYS 108 6.042 -5.578 -4.854 765 2HB CYS 108 1HB CYS 108 5.244 -4.339 -3.885 766 H ALA 109 H ALA 109 3.917 -4.625 -1.727 767 HA ALA 109 HA ALA 109 1.688 -6.478 -2.489 768 1HB ALA 109 1HB ALA 109 2.474 -6.255 0.043 769 2HB ALA 109 2HB ALA 109 0.766 -6.376 -0.371 770 3HB ALA 109 3HB ALA 109 1.476 -4.802 -0.019 771 H SER 110 H SER 110 -0.191 -5.538 -3.188 772 HA SER 110 HA SER 110 -0.422 -2.578 -3.209 773 1HB SER 110 2HB SER 110 -1.209 -3.800 -5.764 774 2HB SER 110 1HB SER 110 -0.225 -2.370 -5.466 775 HG SER 110 HG SER 110 0.507 -5.024 -5.814 776 H LEU 111 H LEU 111 -2.697 -1.947 -3.878 777 HA LEU 111 HA LEU 111 -4.614 -3.820 -2.654 778 1HB LEU 111 2HB LEU 111 -4.967 -1.036 -3.807 779 2HB LEU 111 1HB LEU 111 -6.229 -1.943 -2.991 780 HG LEU 111 HG LEU 111 -3.775 -1.833 -1.394 781 1HD1 LEU 111 1HD1 LEU 111 -3.372 0.328 -2.329 782 2HD1 LEU 111 2HD1 LEU 111 -4.172 0.619 -0.785 783 3HD1 LEU 111 3HD1 LEU 111 -5.085 0.744 -2.288 784 1HD2 LEU 111 1HD2 LEU 111 -6.156 -2.439 -0.693 785 2HD2 LEU 111 2HD2 LEU 111 -6.528 -0.719 -0.800 786 3HD2 LEU 111 3HD2 LEU 111 -5.324 -1.291 0.354 787 H SER 112 H SER 112 -6.373 -4.732 -3.794 788 HA SER 112 HA SER 112 -6.127 -4.660 -6.783 789 1HB SER 112 2HB SER 112 -7.413 -6.882 -5.196 790 2HB SER 112 1HB SER 112 -6.808 -6.926 -6.849 791 HG SER 112 HG SER 112 -5.090 -7.699 -5.897 792 H ARG 113 H ARG 113 -7.790 -3.603 -7.742 793 HA ARG 113 HA ARG 113 -10.104 -2.667 -6.396 794 1HB ARG 113 2HB ARG 113 -9.711 -1.539 -8.392 795 2HB ARG 113 1HB ARG 113 -9.305 -3.010 -9.263 796 1HG ARG 113 2HG ARG 113 -11.453 -2.096 -10.041 797 2HG ARG 113 1HG ARG 113 -11.688 -3.668 -9.289 798 1HD ARG 113 2HD ARG 113 -13.105 -2.762 -7.780 799 2HD ARG 113 1HD ARG 113 -11.878 -1.604 -7.274 800 HE ARG 113 HE ARG 113 -12.835 -0.565 -9.659 801 1HH1 ARG 113 1HH1 ARG 113 -14.220 -1.699 -6.714 802 2HH1 ARG 113 2HH1 ARG 113 -15.531 -0.566 -6.738 803 1HH2 ARG 113 1HH2 ARG 113 -14.517 0.946 -9.689 804 2HH2 ARG 113 2HH2 ARG 113 -15.699 0.931 -8.423 805 H SER 114 H SER 114 -9.499 -5.703 -8.092 806 HA SER 114 HA SER 114 -12.135 -6.655 -8.366 807 1HB SER 114 2HB SER 114 -10.024 -7.790 -9.177 808 2HB SER 114 1HB SER 114 -9.763 -8.341 -7.525 809 HG SER 114 HG SER 114 -12.197 -8.770 -8.898 810 H THR 115 H THR 115 -10.353 -6.032 -5.484 811 HA THR 115 HA THR 115 -12.414 -7.519 -3.892 812 HB THR 115 HB THR 115 -10.747 -7.793 -2.145 813 HG1 THR 115 1HG THR 115 -8.523 -7.054 -3.259 814 1HG2 THR 115 1HG2 THR 115 -9.396 -9.405 -3.203 815 2HG2 THR 115 2HG2 THR 115 -9.304 -8.475 -4.699 816 3HG2 THR 115 3HG2 THR 115 -10.801 -9.297 -4.261 817 H ALA 116 H ALA 116 -12.477 -4.711 -4.943 818 HA ALA 116 HA ALA 116 -13.137 -2.606 -4.150 819 1HB ALA 116 1HB ALA 116 -14.604 -4.202 -2.733 820 2HB ALA 116 2HB ALA 116 -14.397 -2.549 -2.153 821 3HB ALA 116 3HB ALA 116 -13.470 -3.862 -1.427 822 H PHE 117 H PHE 117 -10.311 -3.572 -3.901 823 HA PHE 117 HA PHE 117 -8.291 -2.768 -3.044 824 1HB PHE 117 2HB PHE 117 -9.892 -0.443 -1.958 825 2HB PHE 117 1HB PHE 117 -8.193 -0.462 -2.418 826 HD1 PHE 117 1HD PHE 117 -7.550 -0.677 -4.828 827 HD2 PHE 117 2HD PHE 117 -11.624 -0.124 -3.583 828 HE1 PHE 117 1HE PHE 117 -8.161 0.005 -7.132 829 HE2 PHE 117 2HE PHE 117 -12.235 0.557 -5.889 830 HZ PHE 117 HZ PHE 117 -10.504 0.622 -7.662 831 H LEU 118 H LEU 118 -10.037 -4.476 -1.378 832 HA LEU 118 HA LEU 118 -9.313 -3.500 1.353 833 1HB LEU 118 2HB LEU 118 -11.302 -5.580 0.409 834 2HB LEU 118 1HB LEU 118 -10.920 -5.292 2.105 835 HG LEU 118 HG LEU 118 -11.949 -3.174 0.195 836 1HD1 LEU 118 1HD1 LEU 118 -13.396 -4.691 2.388 837 2HD1 LEU 118 2HD1 LEU 118 -13.632 -4.934 0.658 838 3HD1 LEU 118 3HD1 LEU 118 -14.078 -3.398 1.402 839 1HD2 LEU 118 1HD2 LEU 118 -12.464 -2.182 2.624 840 2HD2 LEU 118 2HD2 LEU 118 -10.897 -1.944 1.857 841 3HD2 LEU 118 3HD2 LEU 118 -11.100 -3.207 3.072 842 H ARG 119 H ARG 119 -8.674 -5.970 -1.016 843 HA ARG 119 HA ARG 119 -7.072 -7.506 0.989 844 1HB ARG 119 2HB ARG 119 -7.938 -8.278 -1.814 845 2HB ARG 119 1HB ARG 119 -7.065 -9.313 -0.685 846 1HG ARG 119 2HG ARG 119 -9.659 -8.075 0.194 847 2HG ARG 119 1HG ARG 119 -9.702 -9.475 -0.875 848 1HD ARG 119 2HD ARG 119 -7.978 -9.527 1.592 849 2HD ARG 119 1HD ARG 119 -9.705 -9.862 1.711 850 HE ARG 119 HE ARG 119 -8.402 -11.416 -0.379 851 1HH1 ARG 119 1HH2 ARG 119 -7.531 -11.403 2.782 852 2HH1 ARG 119 2HH2 ARG 119 -8.124 -12.984 3.174 853 1HH2 ARG 119 1HH1 ARG 119 -9.865 -13.359 0.199 854 2HH2 ARG 119 2HH1 ARG 119 -9.445 -14.089 1.711 855 H TRP 120 H TRP 120 -4.899 -8.212 0.279 856 HA TRP 120 HA TRP 120 -3.632 -6.157 -1.494 857 1HB TRP 120 2HB TRP 120 -2.210 -7.908 0.515 858 2HB TRP 120 1HB TRP 120 -1.635 -6.416 -0.228 859 HD1 TRP 120 HD TRP 120 -4.118 -4.566 0.207 860 HE1 TRP 120 1HE TRP 120 -4.761 -3.795 2.584 861 HE3 TRP 120 3HE TRP 120 -1.793 -8.176 2.955 862 HZ2 TRP 120 2HZ TRP 120 -4.337 -4.609 5.298 863 HZ3 TRP 120 3HZ TRP 120 -1.924 -8.161 5.425 864 HH2 TRP 120 HH TRP 120 -3.193 -6.385 6.603 865 H LYS 121 H LYS 121 -2.286 -6.835 -3.164 866 HA LYS 121 HA LYS 121 -2.043 -9.792 -3.593 867 1HB LYS 121 2HB LYS 121 -3.764 -8.599 -5.082 868 2HB LYS 121 1HB LYS 121 -2.386 -7.787 -5.829 869 1HG LYS 121 2HG LYS 121 -1.400 -9.950 -6.427 870 2HG LYS 121 1HG LYS 121 -2.726 -10.794 -5.624 871 1HD LYS 121 2HD LYS 121 -4.308 -9.574 -7.192 872 2HD LYS 121 1HD LYS 121 -2.885 -9.040 -8.086 873 1HE LYS 121 2HE LYS 121 -3.488 -11.949 -7.500 874 2HE LYS 121 1HE LYS 121 -3.960 -11.141 -8.994 875 1HZ LYS 121 1HZ LYS 121 -1.173 -11.253 -7.982 876 2HZ LYS 121 2HZ LYS 121 -1.695 -10.683 -9.495 877 3HZ LYS 121 3HZ LYS 121 -1.809 -12.337 -9.122 878 H ASP 122 H ASP 122 -0.126 -10.464 -4.658 879 HA ASP 122 HA ASP 122 2.143 -8.755 -4.082 880 1HB ASP 122 2HB ASP 122 2.108 -11.365 -5.621 881 2HB ASP 122 1HB ASP 122 3.502 -10.619 -4.841 882 H TYR 123 H TYR 123 3.541 -7.756 -5.597 883 HA TYR 123 HA TYR 123 2.930 -7.985 -8.474 884 1HB TYR 123 2HB TYR 123 1.915 -5.817 -6.834 885 2HB TYR 123 1HB TYR 123 3.025 -5.188 -8.050 886 HD1 TYR 123 1HD TYR 123 -0.293 -6.369 -7.430 887 HD2 TYR 123 2HD TYR 123 2.702 -6.021 -10.489 888 HE1 TYR 123 1HE TYR 123 -2.040 -6.634 -9.171 889 HE2 TYR 123 2HE TYR 123 0.955 -6.286 -12.229 890 HH TYR 123 HH TYR 123 -2.480 -6.643 -11.343 891 H ASN 124 H ASN 124 4.635 -7.114 -9.797 892 HA ASN 124 HA ASN 124 7.260 -7.409 -8.798 893 1HB ASN 124 2HB ASN 124 6.177 -5.955 -11.216 894 2HB ASN 124 1HB ASN 124 7.906 -6.071 -10.891 895 1HD2 ASN 124 1HD2 ASN 124 7.858 -7.373 -13.014 896 2HD2 ASN 124 2HD2 ASN 124 7.503 -9.031 -12.909 897 H CYS 125 H CYS 125 8.206 -6.177 -7.271 898 HA CYS 125 HA CYS 125 7.382 -3.730 -6.247 899 1HB CYS 125 2HB CYS 125 10.197 -4.808 -6.523 900 2HB CYS 125 1HB CYS 125 9.773 -3.410 -5.534 901 H ASN 126 H ASN 126 8.541 -4.176 -9.412 902 HA ASN 126 HA ASN 126 9.580 -1.386 -9.540 903 1HB ASN 126 2HB ASN 126 10.835 -3.388 -10.555 904 2HB ASN 126 1HB ASN 126 9.585 -3.396 -11.800 905 1HD2 ASN 126 1HD2 ASN 126 12.265 -1.490 -10.453 906 2HD2 ASN 126 2HD2 ASN 126 12.381 -0.412 -11.759 907 H VAL 127 H VAL 127 6.936 -3.399 -10.792 908 HA VAL 127 HA VAL 127 5.978 -1.643 -12.807 909 HB VAL 127 HB VAL 127 4.560 -3.525 -10.905 910 1HG1 VAL 127 1HG1 VAL 127 3.372 -1.681 -12.989 911 2HG1 VAL 127 2HG1 VAL 127 2.885 -1.876 -11.306 912 3HG1 VAL 127 3HG1 VAL 127 2.558 -3.158 -12.471 913 1HG2 VAL 127 1HG2 VAL 127 4.365 -4.929 -12.821 914 2HG2 VAL 127 2HG2 VAL 127 6.012 -4.303 -12.874 915 3HG2 VAL 127 3HG2 VAL 127 4.773 -3.612 -13.920 916 H ARG 128 H ARG 128 5.192 0.469 -12.617 917 HA ARG 128 HA ARG 128 4.966 1.533 -9.894 918 1HB ARG 128 2HB ARG 128 4.345 3.626 -11.498 919 2HB ARG 128 1HB ARG 128 6.002 3.153 -11.148 920 1HG ARG 128 2HG ARG 128 6.132 1.852 -13.184 921 2HG ARG 128 1HG ARG 128 4.417 2.107 -13.507 922 1HD ARG 128 2HD ARG 128 4.763 4.202 -14.342 923 2HD ARG 128 1HD ARG 128 5.976 4.592 -13.124 924 HE ARG 128 HE ARG 128 7.279 2.778 -14.733 925 1HH1 ARG 128 1HH2 ARG 128 4.977 4.682 -16.177 926 2HH1 ARG 128 2HH2 ARG 128 6.066 5.567 -17.193 927 1HH2 ARG 128 1HH1 ARG 128 8.920 4.337 -15.654 928 2HH2 ARG 128 2HH1 ARG 128 8.299 5.371 -16.898 929 H LEU 129 H LEU 129 3.007 2.565 -9.046 930 HA LEU 129 HA LEU 129 0.591 2.098 -10.753 931 1HB LEU 129 2HB LEU 129 1.175 0.835 -8.083 932 2HB LEU 129 1HB LEU 129 -0.486 1.176 -8.532 933 HG LEU 129 HG LEU 129 0.796 -0.102 -10.767 934 1HD1 LEU 129 1HD1 LEU 129 1.281 -2.298 -9.678 935 2HD1 LEU 129 2HD1 LEU 129 1.115 -1.518 -8.106 936 3HD1 LEU 129 3HD1 LEU 129 2.412 -1.032 -9.197 937 1HD2 LEU 129 1HD2 LEU 129 -1.319 -0.970 -8.783 938 2HD2 LEU 129 2HD2 LEU 129 -0.972 -1.801 -10.299 939 3HD2 LEU 129 3HD2 LEU 129 -1.593 -0.151 -10.321 940 HA PRO 130 HA PRO 130 -0.686 5.897 -8.856 941 1HB PRO 130 2HB PRO 130 -3.345 4.999 -8.157 942 2HB PRO 130 1HB PRO 130 -2.880 6.034 -9.509 943 1HG PRO 130 2HG PRO 130 -3.717 3.271 -9.583 944 2HG PRO 130 1HG PRO 130 -3.351 4.343 -10.936 945 1HD PRO 130 2HD PRO 130 -1.792 2.127 -10.036 946 2HD PRO 130 1HD PRO 130 -1.335 3.317 -11.278 947 H TYR 131 H TYR 131 -0.415 6.483 -6.558 948 HA TYR 131 HA TYR 131 -1.040 4.270 -4.639 949 1HB TYR 131 2HB TYR 131 1.151 4.543 -3.589 950 2HB TYR 131 1HB TYR 131 1.328 4.137 -5.294 951 HD1 TYR 131 1HD TYR 131 1.930 5.872 -6.958 952 HD2 TYR 131 2HD TYR 131 1.801 6.712 -2.750 953 HE1 TYR 131 1HE TYR 131 3.215 7.959 -7.335 954 HE2 TYR 131 2HE TYR 131 3.090 8.799 -3.128 955 HH TYR 131 HH TYR 131 4.442 9.870 -4.665 956 H VAL 132 H VAL 132 -0.393 5.066 -2.308 957 HA VAL 132 HA VAL 132 -1.361 7.884 -1.954 958 HB VAL 132 HB VAL 132 -2.157 5.391 -0.420 959 1HG1 VAL 132 1HG1 VAL 132 -3.501 7.031 0.973 960 2HG1 VAL 132 2HG1 VAL 132 -2.550 8.322 0.241 961 3HG1 VAL 132 3HG1 VAL 132 -1.759 7.098 1.235 962 1HG2 VAL 132 1HG2 VAL 132 -3.370 5.999 -2.549 963 2HG2 VAL 132 2HG2 VAL 132 -3.856 7.502 -1.767 964 3HG2 VAL 132 3HG2 VAL 132 -4.392 5.956 -1.112 965 H CYS 133 H CYS 133 -0.559 8.814 0.161 966 HA CYS 133 HA CYS 133 1.609 7.304 1.461 967 1HB CYS 133 2HB CYS 133 2.116 9.728 -0.261 968 2HB CYS 133 1HB CYS 133 3.218 9.266 1.039 969 H LYS 134 H LYS 134 2.135 8.096 3.489 970 HA LYS 134 HA LYS 134 0.317 10.220 4.530 971 1HB LYS 134 2HB LYS 134 0.388 9.134 6.582 972 2HB LYS 134 1HB LYS 134 0.607 7.765 5.499 973 1HG LYS 134 2HG LYS 134 3.138 8.222 5.730 974 2HG LYS 134 1HG LYS 134 2.699 9.223 7.114 975 1HD LYS 134 2HD LYS 134 1.387 7.195 7.972 976 2HD LYS 134 1HD LYS 134 2.236 6.259 6.742 977 1HE LYS 134 2HE LYS 134 4.405 7.121 7.699 978 2HE LYS 134 1HE LYS 134 3.474 7.832 9.018 979 1HZ LYS 134 1HZ LYS 134 3.378 5.873 10.012 980 2HZ LYS 134 2HZ LYS 134 4.393 5.226 8.813 981 3HZ LYS 134 3HZ LYS 134 2.705 5.145 8.636 982 H PHE 135 H PHE 135 1.253 11.850 5.997 983 HA PHE 135 HA PHE 135 4.074 12.115 6.440 984 1HB PHE 135 2HB PHE 135 4.579 13.941 4.828 985 2HB PHE 135 1HB PHE 135 4.233 12.417 4.014 986 HD1 PHE 135 1HD PHE 135 2.107 12.072 2.820 987 HD2 PHE 135 2HD PHE 135 3.029 15.812 4.721 988 HE1 PHE 135 1HE PHE 135 0.262 13.160 1.572 989 HE2 PHE 135 2HE PHE 135 1.183 16.901 3.473 990 HZ PHE 135 HZ PHE 135 -0.201 15.575 1.898 991 H THR 136 H THR 136 4.142 13.438 8.195 992 HA THR 136 HA THR 136 1.866 15.232 8.738 993 HB THR 136 HB THR 136 4.308 15.118 10.482 994 HG1 THR 136 1HG THR 136 3.787 13.152 11.221 995 1HG2 THR 136 1HG2 THR 136 2.527 15.150 12.246 996 2HG2 THR 136 2HG2 THR 136 1.319 15.237 10.966 997 3HG2 THR 136 3HG2 THR 136 2.477 16.550 11.174 998 H ASP 137 H ASP 137 2.594 17.481 9.713 999 HA ASP 137 HA ASP 137 4.992 18.687 8.651 1000 1HB ASP 137 2HB ASP 137 3.669 18.423 6.546 1001 2HB ASP 137 1HB ASP 137 2.397 19.415 7.258 Start of MODEL 6 1 1H ARG 1 1HT ARG 1 -4.155 18.732 11.573 2 2H ARG 1 2HT ARG 1 -4.496 17.468 10.490 3 3H ARG 1 3HT ARG 1 -5.759 18.407 11.128 4 HA ARG 1 HA ARG 1 -5.631 19.696 9.347 5 1HB ARG 1 2HB ARG 1 -4.180 20.949 11.028 6 2HB ARG 1 1HB ARG 1 -2.781 20.288 10.181 7 1HG ARG 1 2HG ARG 1 -3.490 21.338 8.099 8 2HG ARG 1 1HG ARG 1 -4.974 21.911 8.860 9 1HD ARG 1 2HD ARG 1 -2.191 22.676 9.782 10 2HD ARG 1 1HD ARG 1 -3.188 23.668 8.718 11 HE ARG 1 HE ARG 1 -4.822 23.195 10.907 12 1HH1 ARG 1 1HH1 ARG 1 -2.177 25.097 9.972 13 2HH1 ARG 1 2HH1 ARG 1 -1.963 25.847 11.519 14 1HH2 ARG 1 1HH2 ARG 1 -4.327 23.862 13.102 15 2HH2 ARG 1 2HH2 ARG 1 -3.181 25.149 13.291 16 H CYS 2 H CYS 2 -5.469 19.047 7.257 17 HA CYS 2 HA CYS 2 -2.908 18.044 6.235 18 1HB CYS 2 2HB CYS 2 -5.452 16.410 6.286 19 2HB CYS 2 1HB CYS 2 -4.113 16.045 5.204 20 HA PRO 3 HA PRO 3 -4.078 20.370 2.661 21 1HB PRO 3 2HB PRO 3 -3.360 18.313 0.772 22 2HB PRO 3 1HB PRO 3 -2.452 19.763 1.214 23 1HG PRO 3 2HG PRO 3 -1.957 17.008 1.986 24 2HG PRO 3 1HG PRO 3 -0.945 18.432 2.254 25 1HD PRO 3 2HD PRO 3 -2.372 17.012 4.233 26 2HD PRO 3 1HD PRO 3 -1.638 18.621 4.427 27 H LYS 4 H LYS 4 -5.613 20.358 0.832 28 HA LYS 4 HA LYS 4 -8.047 18.993 1.424 29 1HB LYS 4 2HB LYS 4 -7.334 20.267 -1.223 30 2HB LYS 4 1HB LYS 4 -8.936 20.081 -0.510 31 1HG LYS 4 2HG LYS 4 -8.054 21.525 1.433 32 2HG LYS 4 1HG LYS 4 -6.706 21.923 0.366 33 1HD LYS 4 2HD LYS 4 -8.165 23.644 -0.174 34 2HD LYS 4 1HD LYS 4 -8.663 22.440 -1.362 35 1HE LYS 4 2HE LYS 4 -10.656 23.313 -0.293 36 2HE LYS 4 1HE LYS 4 -10.415 21.659 0.267 37 1HZ LYS 4 1HZ LYS 4 -10.910 23.075 2.123 38 2HZ LYS 4 2HZ LYS 4 -9.653 24.139 1.709 39 3HZ LYS 4 3HZ LYS 4 -9.298 22.565 2.238 40 H GLY 5 H GLY 5 -9.005 17.237 0.340 41 1HA GLY 5 2HA GLY 5 -9.092 15.336 -1.067 42 2HA GLY 5 1HA GLY 5 -7.632 15.920 -1.879 43 H SER 6 H SER 6 -6.654 16.338 1.048 44 HA SER 6 HA SER 6 -5.467 13.602 1.256 45 1HB SER 6 2HB SER 6 -4.654 15.943 2.965 46 2HB SER 6 1HB SER 6 -3.684 14.576 2.427 47 HG SER 6 HG SER 6 -3.095 15.864 0.880 48 H LYS 7 H LYS 7 -5.646 12.382 3.205 49 HA LYS 7 HA LYS 7 -7.653 13.443 5.172 50 1HB LYS 7 2HB LYS 7 -7.310 10.571 4.259 51 2HB LYS 7 1HB LYS 7 -8.498 11.153 5.424 52 1HG LYS 7 2HG LYS 7 -8.380 12.359 2.668 53 2HG LYS 7 1HG LYS 7 -9.218 10.831 2.923 54 1HD LYS 7 2HD LYS 7 -10.930 11.804 4.091 55 2HD LYS 7 1HD LYS 7 -9.869 12.969 4.880 56 1HE LYS 7 2HE LYS 7 -11.397 14.114 3.331 57 2HE LYS 7 1HE LYS 7 -9.730 14.261 2.775 58 1HZ LYS 7 1HZ LYS 7 -11.882 13.226 1.378 59 2HZ LYS 7 2HZ LYS 7 -10.892 11.897 1.756 60 3HZ LYS 7 3HZ LYS 7 -10.253 13.222 0.907 61 H ALA 8 H ALA 8 -7.013 13.363 7.286 62 HA ALA 8 HA ALA 8 -4.304 12.395 7.867 63 1HB ALA 8 1HB ALA 8 -4.462 13.589 9.863 64 2HB ALA 8 2HB ALA 8 -6.203 13.342 9.992 65 3HB ALA 8 3HB ALA 8 -5.562 14.503 8.832 66 H TYR 9 H TYR 9 -3.880 10.890 9.651 67 HA TYR 9 HA TYR 9 -5.971 9.265 10.788 68 1HB TYR 9 2HB TYR 9 -5.631 8.571 8.219 69 2HB TYR 9 1HB TYR 9 -4.304 7.637 8.908 70 HD1 TYR 9 1HD TYR 9 -5.017 6.452 11.266 71 HD2 TYR 9 2HD TYR 9 -7.665 7.452 8.035 72 HE1 TYR 9 1HE TYR 9 -6.627 4.739 12.056 73 HE2 TYR 9 2HE TYR 9 -9.274 5.739 8.824 74 HH TYR 9 HH TYR 9 -9.252 4.433 11.805 75 H GLY 10 H GLY 10 -5.116 8.416 12.640 76 1HA GLY 10 2HA GLY 10 -3.515 7.688 14.197 77 2HA GLY 10 1HA GLY 10 -2.479 7.291 12.825 78 H SER 11 H SER 11 -1.324 9.168 11.800 79 HA SER 11 HA SER 11 -1.125 11.696 13.165 80 1HB SER 11 2HB SER 11 0.911 9.563 13.823 81 2HB SER 11 1HB SER 11 1.292 11.278 13.950 82 HG SER 11 HG SER 11 -0.497 11.475 15.367 83 H HIS 12 H HIS 12 -1.388 10.928 10.462 84 HA HIS 12 HA HIS 12 0.948 12.275 9.323 85 1HB HIS 12 2HB HIS 12 0.202 9.462 8.458 86 2HB HIS 12 1HB HIS 12 1.453 10.468 7.736 87 HD1 HIS 12 1HD HIS 12 3.535 11.060 9.311 88 HD2 HIS 12 2HD HIS 12 1.006 8.072 10.742 89 HE1 HIS 12 1HE HIS 12 4.805 9.866 11.149 90 H CYS 13 H CYS 13 0.396 13.233 7.317 91 HA CYS 13 HA CYS 13 -2.493 13.276 6.726 92 1HB CYS 13 2HB CYS 13 -0.111 14.778 5.610 93 2HB CYS 13 1HB CYS 13 -1.734 14.944 4.945 94 H TYR 14 H TYR 14 -3.383 11.969 5.184 95 HA TYR 14 HA TYR 14 -1.517 10.447 3.450 96 1HB TYR 14 2HB TYR 14 -4.445 10.024 4.105 97 2HB TYR 14 1HB TYR 14 -3.509 8.997 3.021 98 HD1 TYR 14 1HD TYR 14 -3.289 10.452 6.485 99 HD2 TYR 14 2HD TYR 14 -2.470 7.107 3.915 100 HE1 TYR 14 1HE TYR 14 -2.442 9.168 8.425 101 HE2 TYR 14 2HE TYR 14 -1.621 5.827 5.863 102 HH TYR 14 HH TYR 14 -2.191 6.082 8.618 103 H ALA 15 H ALA 15 -1.487 10.729 1.251 104 HA ALA 15 HA ALA 15 -3.647 12.390 0.022 105 1HB ALA 15 1HB ALA 15 -1.887 13.517 -1.348 106 2HB ALA 15 2HB ALA 15 -0.656 12.696 -0.389 107 3HB ALA 15 3HB ALA 15 -1.732 13.866 0.375 108 H LEU 16 H LEU 16 -4.267 11.707 -2.011 109 HA LEU 16 HA LEU 16 -3.029 9.170 -2.973 110 1HB LEU 16 2HB LEU 16 -5.378 8.928 -2.619 111 2HB LEU 16 1HB LEU 16 -5.729 10.467 -3.403 112 HG LEU 16 HG LEU 16 -4.977 9.547 -5.564 113 1HD1 LEU 16 1HD1 LEU 16 -4.679 6.974 -5.583 114 2HD1 LEU 16 2HD1 LEU 16 -4.387 7.133 -3.851 115 3HD1 LEU 16 3HD1 LEU 16 -3.328 7.942 -5.001 116 1HD2 LEU 16 1HD2 LEU 16 -6.776 7.733 -5.744 117 2HD2 LEU 16 2HD2 LEU 16 -7.312 9.309 -5.162 118 3HD2 LEU 16 3HD2 LEU 16 -7.054 7.989 -4.022 119 H PHE 17 H PHE 17 -1.980 9.112 -4.926 120 HA PHE 17 HA PHE 17 -2.172 11.510 -6.696 121 1HB PHE 17 2HB PHE 17 0.236 9.884 -5.848 122 2HB PHE 17 1HB PHE 17 0.245 10.849 -7.325 123 HD1 PHE 17 1HD PHE 17 0.381 10.911 -3.688 124 HD2 PHE 17 2HD PHE 17 -0.121 13.325 -7.206 125 HE1 PHE 17 1HE PHE 17 0.854 12.949 -2.356 126 HE2 PHE 17 2HE PHE 17 0.351 15.362 -5.874 127 HZ PHE 17 HZ PHE 17 0.839 15.175 -3.450 128 H LEU 18 H LEU 18 -3.152 10.862 -8.541 129 HA LEU 18 HA LEU 18 -3.413 8.070 -9.248 130 1HB LEU 18 2HB LEU 18 -3.897 10.423 -11.091 131 2HB LEU 18 1HB LEU 18 -4.657 8.832 -11.144 132 HG LEU 18 HG LEU 18 -5.089 11.037 -9.122 133 1HD1 LEU 18 1HD1 LEU 18 -6.426 10.928 -11.266 134 2HD1 LEU 18 2HD1 LEU 18 -7.396 10.832 -9.797 135 3HD1 LEU 18 3HD1 LEU 18 -7.051 9.372 -10.721 136 1HD2 LEU 18 1HD2 LEU 18 -5.714 8.083 -8.928 137 2HD2 LEU 18 2HD2 LEU 18 -6.612 9.289 -8.009 138 3HD2 LEU 18 3HD2 LEU 18 -4.880 9.094 -7.751 139 H SER 19 H SER 19 -0.765 9.735 -9.120 140 HA SER 19 HA SER 19 0.237 9.227 -11.854 141 1HB SER 19 2HB SER 19 2.332 9.948 -10.022 142 2HB SER 19 1HB SER 19 1.701 10.850 -11.395 143 HG SER 19 HG SER 19 1.349 12.019 -9.507 144 HA PRO 20 HA PRO 20 1.486 5.100 -10.553 145 1HB PRO 20 2HB PRO 20 3.109 4.870 -12.910 146 2HB PRO 20 1HB PRO 20 1.519 4.161 -12.608 147 1HG PRO 20 2HG PRO 20 2.184 6.332 -14.368 148 2HG PRO 20 1HG PRO 20 0.601 5.605 -14.083 149 1HD PRO 20 2HD PRO 20 1.543 8.185 -13.239 150 2HD PRO 20 1HD PRO 20 -0.052 7.447 -12.942 151 H LYS 21 H LYS 21 3.448 4.161 -9.683 152 HA LYS 21 HA LYS 21 6.018 5.450 -10.176 153 1HB LYS 21 2HB LYS 21 4.531 5.905 -7.591 154 2HB LYS 21 1HB LYS 21 6.293 5.940 -7.637 155 1HG LYS 21 2HG LYS 21 5.933 7.604 -9.645 156 2HG LYS 21 1HG LYS 21 4.326 7.802 -8.944 157 1HD LYS 21 2HD LYS 21 5.349 8.383 -6.771 158 2HD LYS 21 1HD LYS 21 6.951 8.207 -7.484 159 1HE LYS 21 2HE LYS 21 4.870 10.107 -8.587 160 2HE LYS 21 1HE LYS 21 6.061 10.591 -7.378 161 1HZ LYS 21 1HZ LYS 21 7.805 10.251 -8.842 162 2HZ LYS 21 2HZ LYS 21 6.613 10.934 -9.839 163 3HZ LYS 21 3HZ LYS 21 6.897 9.260 -9.874 164 H SER 22 H SER 22 7.585 3.929 -9.942 165 HA SER 22 HA SER 22 7.088 1.239 -9.374 166 1HB SER 22 2HB SER 22 9.701 2.580 -8.680 167 2HB SER 22 1HB SER 22 9.444 0.934 -9.247 168 HG SER 22 HG SER 22 10.080 2.101 -11.003 169 H TRP 23 H TRP 23 6.977 0.014 -7.480 170 HA TRP 23 HA TRP 23 6.179 1.127 -5.047 171 1HB TRP 23 2HB TRP 23 6.148 -1.330 -5.631 172 2HB TRP 23 1HB TRP 23 7.877 -1.371 -5.296 173 HD1 TRP 23 HD TRP 23 4.535 -0.613 -3.542 174 HE1 TRP 23 1HE TRP 23 4.831 -1.040 -1.018 175 HE3 TRP 23 3HE TRP 23 9.533 -1.649 -3.404 176 HZ2 TRP 23 2HZ TRP 23 6.913 -1.732 0.819 177 HZ3 TRP 23 3HZ TRP 23 10.646 -2.188 -1.255 178 HH2 TRP 23 HH TRP 23 9.344 -2.230 0.855 179 H THR 24 H THR 24 9.360 0.854 -6.383 180 HA THR 24 HA THR 24 10.678 1.571 -3.840 181 HB THR 24 HB THR 24 11.652 -0.081 -5.463 182 HG1 THR 24 1HG THR 24 13.191 2.260 -5.031 183 1HG2 THR 24 1HG2 THR 24 12.170 2.386 -7.139 184 2HG2 THR 24 2HG2 THR 24 10.978 1.143 -7.515 185 3HG2 THR 24 3HG2 THR 24 12.693 0.742 -7.501 186 H ASP 25 H ASP 25 9.401 3.057 -6.628 187 HA ASP 25 HA ASP 25 11.026 5.504 -6.395 188 1HB ASP 25 2HB ASP 25 8.778 4.638 -8.220 189 2HB ASP 25 1HB ASP 25 9.347 6.307 -8.190 190 H ALA 26 H ALA 26 7.703 4.412 -5.723 191 HA ALA 26 HA ALA 26 6.878 7.037 -4.769 192 1HB ALA 26 1HB ALA 26 4.826 5.973 -4.219 193 2HB ALA 26 2HB ALA 26 5.599 4.395 -4.070 194 3HB ALA 26 3HB ALA 26 5.382 5.118 -5.656 195 H ASP 27 H ASP 27 8.302 4.109 -3.509 196 HA ASP 27 HA ASP 27 7.962 4.600 -0.722 197 1HB ASP 27 2HB ASP 27 8.681 2.438 -1.554 198 2HB ASP 27 1HB ASP 27 10.123 3.156 -2.270 199 H LEU 28 H LEU 28 10.513 5.555 -3.010 200 HA LEU 28 HA LEU 28 12.114 6.879 -0.992 201 1HB LEU 28 2HB LEU 28 12.702 6.011 -3.447 202 2HB LEU 28 1HB LEU 28 12.276 7.663 -3.881 203 HG LEU 28 HG LEU 28 14.657 7.589 -3.454 204 1HD1 LEU 28 1HD1 LEU 28 13.465 8.767 -0.945 205 2HD1 LEU 28 2HD1 LEU 28 13.194 9.500 -2.526 206 3HD1 LEU 28 3HD1 LEU 28 14.833 9.353 -1.891 207 1HD2 LEU 28 1HD2 LEU 28 14.354 6.821 -0.588 208 2HD2 LEU 28 2HD2 LEU 28 15.659 6.469 -1.717 209 3HD2 LEU 28 3HD2 LEU 28 14.174 5.524 -1.770 210 H ALA 29 H ALA 29 9.877 8.061 -3.520 211 HA ALA 29 HA ALA 29 10.126 10.830 -2.859 212 1HB ALA 29 1HB ALA 29 7.850 9.278 -4.115 213 2HB ALA 29 2HB ALA 29 9.107 10.190 -4.949 214 3HB ALA 29 3HB ALA 29 7.887 11.037 -3.998 215 H CYS 30 H CYS 30 7.551 8.496 -1.888 216 HA CYS 30 HA CYS 30 6.261 10.333 -0.127 217 1HB CYS 30 2HB CYS 30 5.287 8.159 -0.938 218 2HB CYS 30 1HB CYS 30 6.374 7.319 0.166 219 H GLN 31 H GLN 31 9.199 8.544 0.122 220 HA GLN 31 HA GLN 31 9.344 8.712 3.047 221 1HB GLN 31 2HB GLN 31 10.525 6.872 2.013 222 2HB GLN 31 1HB GLN 31 11.381 7.965 0.931 223 1HG GLN 31 2HG GLN 31 12.655 8.899 2.720 224 2HG GLN 31 1HG GLN 31 11.618 8.157 3.938 225 1HE2 GLN 31 1HE2 GLN 31 13.957 7.347 4.595 226 2HE2 GLN 31 2HE2 GLN 31 14.436 5.864 3.922 227 H LYS 32 H LYS 32 10.381 10.523 0.241 228 HA LYS 32 HA LYS 32 12.232 12.254 1.537 229 1HB LYS 32 2HB LYS 32 12.196 12.178 -0.870 230 2HB LYS 32 1HB LYS 32 10.489 12.616 -0.913 231 1HG LYS 32 2HG LYS 32 10.913 14.837 -0.261 232 2HG LYS 32 1HG LYS 32 12.512 14.445 0.369 233 1HD LYS 32 2HD LYS 32 12.857 15.584 -1.715 234 2HD LYS 32 1HD LYS 32 13.191 13.879 -2.014 235 1HE LYS 32 2HE LYS 32 11.769 14.909 -3.790 236 2HE LYS 32 1HE LYS 32 10.968 13.569 -2.970 237 1HZ LYS 32 1HZ LYS 32 10.544 16.116 -1.705 238 2HZ LYS 32 2HZ LYS 32 9.420 14.917 -2.134 239 3HZ LYS 32 3HZ LYS 32 9.939 16.050 -3.288 240 H ARG 33 H ARG 33 8.972 11.830 2.044 241 HA ARG 33 HA ARG 33 8.344 14.641 2.659 242 1HB ARG 33 2HB ARG 33 6.846 12.085 2.449 243 2HB ARG 33 1HB ARG 33 6.207 13.265 3.586 244 1HG ARG 33 2HG ARG 33 5.916 14.904 1.882 245 2HG ARG 33 1HG ARG 33 6.940 14.020 0.752 246 1HD ARG 33 2HD ARG 33 5.296 12.406 0.324 247 2HD ARG 33 1HD ARG 33 4.434 12.743 1.825 248 HE ARG 33 HE ARG 33 3.503 14.741 0.790 249 1HH1 ARG 33 1HH1 ARG 33 3.538 12.302 -1.264 250 2HH1 ARG 33 2HH1 ARG 33 3.807 13.195 -2.724 251 1HH2 ARG 33 1HH2 ARG 33 4.691 16.120 -1.085 252 2HH2 ARG 33 2HH2 ARG 33 4.459 15.357 -2.623 253 HA PRO 34 HA PRO 34 9.370 14.781 6.923 254 1HB PRO 34 2HB PRO 34 6.675 15.131 7.913 255 2HB PRO 34 1HB PRO 34 7.942 16.347 7.729 256 1HG PRO 34 2HG PRO 34 5.606 15.861 6.042 257 2HG PRO 34 1HG PRO 34 6.705 17.245 6.049 258 1HD PRO 34 2HD PRO 34 6.568 15.335 4.025 259 2HD PRO 34 1HD PRO 34 7.965 16.397 4.317 260 H SER 35 H SER 35 9.857 12.458 6.806 261 HA SER 35 HA SER 35 9.719 10.304 7.689 262 1HB SER 35 2HB SER 35 8.911 11.764 9.728 263 2HB SER 35 1HB SER 35 7.330 11.101 9.329 264 HG SER 35 HG SER 35 9.536 9.902 10.444 265 H GLY 36 H GLY 36 7.817 11.524 5.526 266 1HA GLY 36 2HA GLY 36 5.441 9.904 5.626 267 2HA GLY 36 1HA GLY 36 6.058 10.716 4.187 268 H ASN 37 H ASN 37 5.123 8.457 3.450 269 HA ASN 37 HA ASN 37 7.074 6.896 2.263 270 1HB ASN 37 2HB ASN 37 6.803 6.271 5.145 271 2HB ASN 37 1HB ASN 37 6.672 4.866 4.091 272 1HD2 ASN 37 1HD2 ASN 37 8.493 4.782 2.320 273 2HD2 ASN 37 2HD2 ASN 37 10.050 5.228 2.829 274 H LEU 38 H LEU 38 6.059 5.280 0.990 275 HA LEU 38 HA LEU 38 3.540 5.271 0.172 276 1HB LEU 38 2HB LEU 38 5.117 2.829 0.970 277 2HB LEU 38 1HB LEU 38 3.558 2.701 0.160 278 HG LEU 38 HG LEU 38 5.801 4.401 -0.920 279 1HD1 LEU 38 1HD1 LEU 38 6.404 2.556 -2.390 280 2HD1 LEU 38 2HD1 LEU 38 5.140 1.545 -1.692 281 3HD1 LEU 38 3HD1 LEU 38 6.531 2.018 -0.716 282 1HD2 LEU 38 1HD2 LEU 38 4.208 4.992 -2.380 283 2HD2 LEU 38 2HD2 LEU 38 3.058 3.885 -1.643 284 3HD2 LEU 38 3HD2 LEU 38 4.123 3.320 -2.928 285 H VAL 39 H VAL 39 1.502 5.115 0.944 286 HA VAL 39 HA VAL 39 0.685 5.400 3.516 287 HB VAL 39 HB VAL 39 -0.970 5.459 1.835 288 1HG1 VAL 39 1HG1 VAL 39 -0.080 2.633 1.232 289 2HG1 VAL 39 2HG1 VAL 39 -0.037 4.033 0.161 290 3HG1 VAL 39 3HG1 VAL 39 -1.582 3.305 0.599 291 1HG2 VAL 39 1HG2 VAL 39 -1.637 2.856 3.211 292 2HG2 VAL 39 2HG2 VAL 39 -2.723 4.175 2.771 293 3HG2 VAL 39 3HG2 VAL 39 -1.589 4.374 4.106 294 H SER 40 H SER 40 0.041 4.102 5.251 295 HA SER 40 HA SER 40 1.232 1.350 5.301 296 1HB SER 40 2HB SER 40 1.059 1.834 7.877 297 2HB SER 40 1HB SER 40 2.379 2.543 6.954 298 HG SER 40 HG SER 40 -0.016 3.955 7.054 299 H VAL 41 H VAL 41 0.003 -0.122 6.951 300 HA VAL 41 HA VAL 41 -2.861 0.537 7.242 301 HB VAL 41 HB VAL 41 -2.336 -2.103 5.937 302 1HG1 VAL 41 1HG1 VAL 41 -4.486 -0.039 5.437 303 2HG1 VAL 41 2HG1 VAL 41 -4.589 -1.244 6.721 304 3HG1 VAL 41 3HG1 VAL 41 -4.524 -1.756 5.034 305 1HG2 VAL 41 1HG2 VAL 41 -2.382 -1.130 3.690 306 2HG2 VAL 41 2HG2 VAL 41 -0.988 -0.508 4.570 307 3HG2 VAL 41 3HG2 VAL 41 -2.424 0.495 4.369 308 H LEU 42 H LEU 42 -2.362 0.329 9.527 309 HA LEU 42 HA LEU 42 -1.751 -2.469 10.416 310 1HB LEU 42 2HB LEU 42 -1.201 0.200 11.717 311 2HB LEU 42 1HB LEU 42 -1.101 -1.323 12.598 312 HG LEU 42 HG LEU 42 0.434 -0.715 10.063 313 1HD1 LEU 42 1HD1 LEU 42 1.351 -0.732 12.958 314 2HD1 LEU 42 2HD1 LEU 42 1.154 0.709 11.962 315 3HD1 LEU 42 3HD1 LEU 42 2.388 -0.483 11.557 316 1HD2 LEU 42 1HD2 LEU 42 0.254 -3.055 11.939 317 2HD2 LEU 42 2HD2 LEU 42 1.782 -2.726 11.131 318 3HD2 LEU 42 3HD2 LEU 42 0.335 -3.043 10.181 319 H SER 43 H SER 43 -4.425 -0.800 9.885 320 HA SER 43 HA SER 43 -5.733 -1.893 12.334 321 1HB SER 43 2HB SER 43 -5.264 0.622 12.525 322 2HB SER 43 1HB SER 43 -6.449 0.830 11.238 323 HG SER 43 HG SER 43 -7.981 0.422 12.618 324 H GLY 44 H GLY 44 -7.891 -2.543 12.019 325 1HA GLY 44 2HA GLY 44 -8.595 -3.372 9.364 326 2HA GLY 44 1HA GLY 44 -9.670 -3.417 10.762 327 H ALA 45 H ALA 45 -9.096 -0.450 11.150 328 HA ALA 45 HA ALA 45 -11.292 0.493 9.439 329 1HB ALA 45 1HB ALA 45 -11.191 1.235 11.777 330 2HB ALA 45 2HB ALA 45 -11.003 2.618 10.701 331 3HB ALA 45 3HB ALA 45 -9.593 1.929 11.505 332 H GLU 46 H GLU 46 -7.798 0.798 9.668 333 HA GLU 46 HA GLU 46 -7.582 2.969 7.756 334 1HB GLU 46 2HB GLU 46 -5.632 0.960 8.891 335 2HB GLU 46 1HB GLU 46 -5.153 2.084 7.619 336 1HG GLU 46 2HG GLU 46 -5.715 3.990 9.002 337 2HG GLU 46 1HG GLU 46 -6.411 2.942 10.238 338 H GLY 47 H GLY 47 -7.437 -0.575 7.567 339 1HA GLY 47 2HA GLY 47 -6.655 -0.787 4.842 340 2HA GLY 47 1HA GLY 47 -7.614 -1.993 5.703 341 H SER 48 H SER 48 -9.802 -0.198 6.337 342 HA SER 48 HA SER 48 -11.204 -0.327 3.759 343 1HB SER 48 2HB SER 48 -12.229 -0.956 6.013 344 2HB SER 48 1HB SER 48 -12.264 0.767 6.375 345 HG SER 48 HG SER 48 -13.770 -0.731 4.593 346 H PHE 49 H PHE 49 -10.046 2.153 6.014 347 HA PHE 49 HA PHE 49 -11.237 4.395 4.698 348 1HB PHE 49 2HB PHE 49 -10.040 4.279 7.002 349 2HB PHE 49 1HB PHE 49 -8.556 4.516 6.080 350 HD1 PHE 49 1HD PHE 49 -11.356 6.133 7.604 351 HD2 PHE 49 2HD PHE 49 -8.515 6.505 4.405 352 HE1 PHE 49 1HE PHE 49 -11.820 8.565 7.476 353 HE2 PHE 49 2HE PHE 49 -8.978 8.937 4.277 354 HZ PHE 49 HZ PHE 49 -10.630 9.969 5.812 355 H VAL 50 H VAL 50 -7.965 2.971 4.379 356 HA VAL 50 HA VAL 50 -7.075 4.721 2.317 357 HB VAL 50 HB VAL 50 -6.323 1.810 2.739 358 1HG1 VAL 50 1HG1 VAL 50 -4.934 4.102 1.321 359 2HG1 VAL 50 2HG1 VAL 50 -5.598 2.654 0.566 360 3HG1 VAL 50 3HG1 VAL 50 -4.202 2.530 1.637 361 1HG2 VAL 50 1HG2 VAL 50 -4.841 4.247 3.740 362 2HG2 VAL 50 2HG2 VAL 50 -4.646 2.569 4.240 363 3HG2 VAL 50 3HG2 VAL 50 -6.087 3.467 4.713 364 H SER 51 H SER 51 -8.900 1.681 2.214 365 HA SER 51 HA SER 51 -8.882 1.345 -0.623 366 1HB SER 51 2HB SER 51 -9.673 -0.532 0.514 367 2HB SER 51 1HB SER 51 -10.666 0.425 1.609 368 HG SER 51 HG SER 51 -12.105 -0.372 0.202 369 H SER 52 H SER 52 -11.198 3.018 1.524 370 HA SER 52 HA SER 52 -12.922 3.870 -0.625 371 1HB SER 52 2HB SER 52 -14.074 5.117 1.011 372 2HB SER 52 1HB SER 52 -13.407 3.767 1.925 373 HG SER 52 HG SER 52 -11.516 5.452 2.016 374 H LEU 53 H LEU 53 -9.924 5.062 0.663 375 HA LEU 53 HA LEU 53 -10.203 7.764 -0.390 376 1HB LEU 53 2HB LEU 53 -8.687 7.627 1.399 377 2HB LEU 53 1HB LEU 53 -7.979 6.130 0.809 378 HG LEU 53 HG LEU 53 -7.004 7.425 -1.122 379 1HD1 LEU 53 1HD1 LEU 53 -7.950 9.795 0.532 380 2HD1 LEU 53 2HD1 LEU 53 -8.598 9.328 -1.040 381 3HD1 LEU 53 3HD1 LEU 53 -6.931 9.887 -0.905 382 1HD2 LEU 53 1HD2 LEU 53 -5.186 8.350 0.177 383 2HD2 LEU 53 2HD2 LEU 53 -5.759 6.904 1.007 384 3HD2 LEU 53 3HD2 LEU 53 -6.215 8.501 1.600 385 H VAL 54 H VAL 54 -9.170 4.675 -1.615 386 HA VAL 54 HA VAL 54 -8.295 6.002 -4.155 387 HB VAL 54 HB VAL 54 -6.759 4.148 -4.488 388 1HG1 VAL 54 1HG1 VAL 54 -6.450 4.961 -1.596 389 2HG1 VAL 54 2HG1 VAL 54 -6.224 6.122 -2.904 390 3HG1 VAL 54 3HG1 VAL 54 -5.189 4.698 -2.801 391 1HG2 VAL 54 1HG2 VAL 54 -6.533 2.544 -2.431 392 2HG2 VAL 54 2HG2 VAL 54 -7.825 2.247 -3.592 393 3HG2 VAL 54 3HG2 VAL 54 -8.182 3.051 -2.064 394 H LYS 55 H LYS 55 -10.970 4.753 -3.092 395 HA LYS 55 HA LYS 55 -11.360 2.580 -5.053 396 1HB LYS 55 2HB LYS 55 -12.433 2.284 -2.910 397 2HB LYS 55 1HB LYS 55 -13.205 3.866 -3.021 398 1HG LYS 55 2HG LYS 55 -14.682 3.161 -4.719 399 2HG LYS 55 1HG LYS 55 -13.690 1.759 -5.125 400 1HD LYS 55 2HD LYS 55 -15.651 1.013 -3.886 401 2HD LYS 55 1HD LYS 55 -14.219 0.790 -2.882 402 1HE LYS 55 2HE LYS 55 -14.720 2.690 -1.552 403 2HE LYS 55 1HE LYS 55 -15.892 3.300 -2.721 404 1HZ LYS 55 1HZ LYS 55 -16.410 1.707 -0.539 405 2HZ LYS 55 2HZ LYS 55 -16.561 0.672 -1.880 406 3HZ LYS 55 3HZ LYS 55 -17.485 2.096 -1.793 407 H SER 56 H SER 56 -11.477 5.935 -5.124 408 HA SER 56 HA SER 56 -13.538 5.926 -7.301 409 1HB SER 56 2HB SER 56 -13.998 8.196 -6.790 410 2HB SER 56 1HB SER 56 -13.843 7.417 -5.218 411 HG SER 56 HG SER 56 -12.412 9.422 -6.252 412 H ILE 57 H ILE 57 -10.577 5.259 -7.421 413 HA ILE 57 HA ILE 57 -9.193 7.402 -8.696 414 HB ILE 57 HB ILE 57 -7.987 5.504 -7.814 415 1HG1 ILE 57 2HG1 ILE 57 -7.831 5.310 -10.827 416 2HG1 ILE 57 1HG1 ILE 57 -7.158 6.661 -9.916 417 1HG2 ILE 57 1HG2 ILE 57 -9.979 3.916 -8.397 418 2HG2 ILE 57 2HG2 ILE 57 -8.339 3.273 -8.450 419 3HG2 ILE 57 3HG2 ILE 57 -9.155 3.722 -9.945 420 1HD1 ILE 57 1HD1 ILE 57 -5.704 5.190 -8.673 421 2HD1 ILE 57 2HD1 ILE 57 -5.501 4.828 -10.385 422 3HD1 ILE 57 3HD1 ILE 57 -6.474 3.766 -9.369 423 H GLY 58 H GLY 58 -10.768 4.523 -10.158 424 1HA GLY 58 2HA GLY 58 -12.336 5.332 -12.104 425 2HA GLY 58 1HA GLY 58 -10.837 5.995 -12.754 426 H ASN 59 H ASN 59 -12.312 4.044 -14.150 427 HA ASN 59 HA ASN 59 -11.429 1.382 -13.696 428 1HB ASN 59 2HB ASN 59 -12.153 0.968 -16.026 429 2HB ASN 59 1HB ASN 59 -13.352 1.902 -15.133 430 1HD2 ASN 59 1HD2 ASN 59 -13.970 3.886 -16.039 431 2HD2 ASN 59 2HD2 ASN 59 -13.150 4.659 -17.309 432 H SER 60 H SER 60 -9.870 4.123 -15.162 433 HA SER 60 HA SER 60 -7.972 2.718 -16.793 434 1HB SER 60 2HB SER 60 -7.766 5.409 -15.412 435 2HB SER 60 1HB SER 60 -6.635 4.821 -16.628 436 HG SER 60 HG SER 60 -8.550 6.185 -17.281 437 H TYR 61 H TYR 61 -8.419 2.086 -13.719 438 HA TYR 61 HA TYR 61 -5.683 1.209 -13.275 439 1HB TYR 61 2HB TYR 61 -6.916 3.392 -11.593 440 2HB TYR 61 1HB TYR 61 -5.572 2.400 -11.030 441 HD1 TYR 61 1HD TYR 61 -6.380 5.407 -12.647 442 HD2 TYR 61 2HD TYR 61 -3.604 2.133 -12.853 443 HE1 TYR 61 1HE TYR 61 -4.792 6.830 -13.913 444 HE2 TYR 61 2HE TYR 61 -2.019 3.558 -14.118 445 HH TYR 61 HH TYR 61 -2.403 5.769 -15.711 446 H SER 62 H SER 62 -5.773 -0.641 -12.071 447 HA SER 62 HA SER 62 -8.314 -1.217 -10.597 448 1HB SER 62 2HB SER 62 -8.448 -2.634 -12.466 449 2HB SER 62 1HB SER 62 -6.712 -2.928 -12.487 450 HG SER 62 HG SER 62 -8.476 -4.467 -11.440 451 H TYR 63 H TYR 63 -5.147 -0.573 -10.128 452 HA TYR 63 HA TYR 63 -5.150 -2.111 -7.590 453 1HB TYR 63 2HB TYR 63 -3.178 -2.490 -9.816 454 2HB TYR 63 1HB TYR 63 -2.624 -2.631 -8.149 455 HD1 TYR 63 1HD TYR 63 -5.157 -3.921 -10.573 456 HD2 TYR 63 2HD TYR 63 -3.067 -4.573 -6.877 457 HE1 TYR 63 1HE TYR 63 -6.103 -6.204 -10.438 458 HE2 TYR 63 2HE TYR 63 -4.007 -6.863 -6.756 459 HH TYR 63 HH TYR 63 -5.112 -8.526 -9.085 460 H VAL 64 H VAL 64 -3.313 -1.348 -6.153 461 HA VAL 64 HA VAL 64 -2.279 1.361 -6.856 462 HB VAL 64 HB VAL 64 -3.870 0.732 -4.348 463 1HG1 VAL 64 1HG1 VAL 64 -1.961 2.416 -4.171 464 2HG1 VAL 64 2HG1 VAL 64 -3.559 2.990 -3.702 465 3HG1 VAL 64 3HG1 VAL 64 -2.895 3.426 -5.274 466 1HG2 VAL 64 1HG2 VAL 64 -5.380 0.914 -6.206 467 2HG2 VAL 64 2HG2 VAL 64 -4.519 2.319 -6.838 468 3HG2 VAL 64 3HG2 VAL 64 -5.442 2.450 -5.342 469 H TRP 65 H TRP 65 -0.376 1.914 -5.643 470 HA TRP 65 HA TRP 65 1.029 -0.425 -4.528 471 1HB TRP 65 2HB TRP 65 1.773 2.231 -5.570 472 2HB TRP 65 1HB TRP 65 2.747 1.699 -4.214 473 HD1 TRP 65 HD TRP 65 3.539 2.052 -7.358 474 HE1 TRP 65 1HE TRP 65 4.771 0.109 -8.505 475 HE3 TRP 65 3HE TRP 65 2.293 -1.798 -4.208 476 HZ2 TRP 65 2HZ TRP 65 5.151 -2.675 -8.167 477 HZ3 TRP 65 3HZ TRP 65 3.112 -4.084 -4.667 478 HH2 TRP 65 HH TRP 65 4.545 -4.528 -6.641 479 H ILE 66 H ILE 66 1.815 -0.529 -2.368 480 HA ILE 66 HA ILE 66 1.114 1.731 -0.565 481 HB ILE 66 HB ILE 66 0.229 0.150 1.147 482 1HG1 ILE 66 2HG1 ILE 66 0.430 -1.861 -1.114 483 2HG1 ILE 66 1HG1 ILE 66 1.322 -1.914 0.407 484 1HG2 ILE 66 1HG2 ILE 66 -1.209 1.351 -0.601 485 2HG2 ILE 66 2HG2 ILE 66 -1.942 -0.046 0.186 486 3HG2 ILE 66 3HG2 ILE 66 -1.285 -0.195 -1.444 487 1HD1 ILE 66 1HD1 ILE 66 -0.534 -3.397 0.698 488 2HD1 ILE 66 2HD1 ILE 66 -1.659 -2.239 -0.009 489 3HD1 ILE 66 3HD1 ILE 66 -0.955 -1.928 1.577 490 H GLY 67 H GLY 67 2.308 1.261 1.666 491 1HA GLY 67 2HA GLY 67 5.050 0.532 0.936 492 2HA GLY 67 1HA GLY 67 4.541 1.279 2.444 493 H LEU 68 H LEU 68 3.687 -1.848 0.861 494 HA LEU 68 HA LEU 68 4.742 -3.156 3.322 495 1HB LEU 68 2HB LEU 68 2.278 -3.083 3.513 496 2HB LEU 68 1HB LEU 68 2.139 -3.894 1.959 497 HG LEU 68 HG LEU 68 3.046 -5.925 2.804 498 1HD1 LEU 68 1HD1 LEU 68 3.981 -4.241 5.125 499 2HD1 LEU 68 2HD1 LEU 68 4.964 -5.217 4.036 500 3HD1 LEU 68 3HD1 LEU 68 3.916 -5.996 5.215 501 1HD2 LEU 68 1HD2 LEU 68 1.619 -4.969 5.269 502 2HD2 LEU 68 2HD2 LEU 68 1.517 -6.533 4.463 503 3HD2 LEU 68 3HD2 LEU 68 0.740 -5.121 3.748 504 H HIS 69 H HIS 69 6.126 -4.760 2.879 505 HA HIS 69 HA HIS 69 6.009 -6.013 0.166 506 1HB HIS 69 2HB HIS 69 8.474 -6.159 0.217 507 2HB HIS 69 1HB HIS 69 7.940 -4.479 0.300 508 HD1 HIS 69 1HD HIS 69 10.275 -6.637 1.871 509 HD2 HIS 69 2HD HIS 69 7.601 -3.782 3.278 510 HE1 HIS 69 1HE HIS 69 11.072 -5.995 4.189 511 H ASP 70 H ASP 70 7.642 -7.993 0.355 512 HA ASP 70 HA ASP 70 6.659 -9.625 2.654 513 1HB ASP 70 2HB ASP 70 7.760 -10.692 0.053 514 2HB ASP 70 1HB ASP 70 6.772 -11.536 1.246 515 HA PRO 71 HA PRO 71 11.236 -8.895 3.307 516 1HB PRO 71 2HB PRO 71 10.721 -9.565 6.064 517 2HB PRO 71 1HB PRO 71 11.177 -8.002 5.381 518 1HG PRO 71 2HG PRO 71 8.604 -8.843 6.375 519 2HG PRO 71 1HG PRO 71 9.103 -7.248 5.811 520 1HD PRO 71 2HD PRO 71 7.334 -9.031 4.497 521 2HD PRO 71 1HD PRO 71 8.019 -7.530 3.835 522 H THR 72 H THR 72 9.360 -11.505 2.958 523 HA THR 72 HA THR 72 10.966 -13.495 4.391 524 HB THR 72 HB THR 72 9.532 -15.131 3.206 525 HG1 THR 72 1HG THR 72 8.452 -14.549 1.507 526 1HG2 THR 72 1HG2 THR 72 7.403 -14.446 4.197 527 2HG2 THR 72 2HG2 THR 72 7.966 -12.779 4.302 528 3HG2 THR 72 3HG2 THR 72 8.730 -14.031 5.283 529 H GLN 73 H GLN 73 10.878 -12.026 1.209 530 HA GLN 73 HA GLN 73 12.190 -12.421 -0.706 531 1HB GLN 73 2HB GLN 73 14.089 -12.948 1.588 532 2HB GLN 73 1HB GLN 73 14.620 -12.948 -0.095 533 1HG GLN 73 2HG GLN 73 13.784 -10.651 -0.373 534 2HG GLN 73 1HG GLN 73 13.226 -10.645 1.301 535 1HE2 GLN 73 1HE2 GLN 73 16.082 -12.451 1.109 536 2HE2 GLN 73 2HE2 GLN 73 17.178 -11.238 1.567 537 H GLY 74 H GLY 74 10.718 -14.775 0.613 538 1HA GLY 74 2HA GLY 74 10.402 -16.996 -0.149 539 2HA GLY 74 1HA GLY 74 11.839 -16.818 -1.158 540 H THR 75 H THR 75 12.975 -15.749 1.643 541 HA THR 75 HA THR 75 14.385 -18.199 2.249 542 HB THR 75 HB THR 75 15.344 -16.914 4.125 543 HG1 THR 75 1HG THR 75 13.471 -14.938 3.328 544 1HG2 THR 75 1HG2 THR 75 15.074 -15.136 1.691 545 2HG2 THR 75 2HG2 THR 75 16.101 -16.568 1.732 546 3HG2 THR 75 3HG2 THR 75 16.430 -15.217 2.815 547 H GLU 76 H GLU 76 11.944 -16.317 4.076 548 HA GLU 76 HA GLU 76 11.604 -17.898 6.310 549 1HB GLU 76 2HB GLU 76 10.292 -15.815 5.631 550 2HB GLU 76 1HB GLU 76 9.241 -16.897 4.718 551 1HG GLU 76 2HG GLU 76 8.215 -16.634 6.866 552 2HG GLU 76 1HG GLU 76 8.957 -18.234 6.869 553 HA PRO 77 HA PRO 77 10.687 -21.787 4.105 554 1HB PRO 77 2HB PRO 77 10.537 -23.109 6.660 555 2HB PRO 77 1HB PRO 77 11.815 -23.214 5.448 556 1HG PRO 77 2HG PRO 77 11.931 -21.917 7.987 557 2HG PRO 77 1HG PRO 77 13.179 -21.959 6.739 558 1HD PRO 77 2HD PRO 77 11.500 -19.725 7.528 559 2HD PRO 77 1HD PRO 77 12.834 -19.742 6.347 560 H ASN 78 H ASN 78 8.593 -19.860 4.792 561 HA ASN 78 HA ASN 78 6.346 -21.727 4.945 562 1HB ASN 78 2HB ASN 78 6.892 -19.729 7.157 563 2HB ASN 78 1HB ASN 78 5.302 -20.446 6.881 564 1HD2 ASN 78 1HD2 ASN 78 8.145 -20.875 8.631 565 2HD2 ASN 78 2HD2 ASN 78 8.005 -22.536 8.953 566 H GLY 79 H GLY 79 7.258 -18.281 5.229 567 1HA GLY 79 2HA GLY 79 6.684 -16.616 3.573 568 2HA GLY 79 1HA GLY 79 5.411 -17.685 2.977 569 H GLU 80 H GLU 80 6.312 -15.658 5.765 570 HA GLU 80 HA GLU 80 3.547 -14.751 6.002 571 1HB GLU 80 2HB GLU 80 3.196 -15.592 8.279 572 2HB GLU 80 1HB GLU 80 3.478 -16.937 7.175 573 1HG GLU 80 2HG GLU 80 5.962 -16.725 7.850 574 2HG GLU 80 1HG GLU 80 5.379 -15.744 9.194 575 H GLY 81 H GLY 81 6.021 -13.400 5.555 576 1HA GLY 81 2HA GLY 81 6.725 -12.149 8.144 577 2HA GLY 81 1HA GLY 81 7.515 -11.839 6.597 578 H TRP 82 H TRP 82 6.193 -10.630 4.969 579 HA TRP 82 HA TRP 82 5.054 -8.652 4.421 580 1HB TRP 82 2HB TRP 82 3.023 -9.280 6.533 581 2HB TRP 82 1HB TRP 82 2.778 -8.691 4.891 582 HD1 TRP 82 HD TRP 82 4.768 -11.061 3.666 583 HE1 TRP 82 1HE TRP 82 3.727 -13.399 3.379 584 HE3 TRP 82 3HE TRP 82 0.795 -10.650 6.843 585 HZ2 TRP 82 2HZ TRP 82 1.498 -14.899 4.368 586 HZ3 TRP 82 3HZ TRP 82 -0.769 -12.545 7.154 587 HH2 TRP 82 HH TRP 82 -0.424 -14.668 5.919 588 H GLU 83 H GLU 83 6.212 -6.843 5.117 589 HA GLU 83 HA GLU 83 5.458 -5.819 7.821 590 1HB GLU 83 2HB GLU 83 7.799 -7.067 7.675 591 2HB GLU 83 1HB GLU 83 8.322 -5.531 6.983 592 1HG GLU 83 2HG GLU 83 7.197 -4.419 9.002 593 2HG GLU 83 1HG GLU 83 7.123 -6.034 9.709 594 H TRP 84 H TRP 84 4.910 -3.692 7.704 595 HA TRP 84 HA TRP 84 4.942 -2.268 5.236 596 1HB TRP 84 2HB TRP 84 4.765 -0.832 7.847 597 2HB TRP 84 1HB TRP 84 3.776 -0.639 6.394 598 HD1 TRP 84 HD TRP 84 4.192 -2.865 9.471 599 HE1 TRP 84 1HE TRP 84 2.080 -4.317 9.746 600 HE3 TRP 84 3HE TRP 84 1.746 -1.682 5.153 601 HZ2 TRP 84 2HZ TRP 84 -0.326 -4.903 8.318 602 HZ3 TRP 84 3HZ TRP 84 -0.450 -2.709 4.629 603 HH2 TRP 84 HH TRP 84 -1.488 -4.311 6.207 604 H SER 85 H SER 85 6.163 -0.298 4.742 605 HA SER 85 HA SER 85 8.907 -0.529 5.793 606 1HB SER 85 2HB SER 85 7.811 1.104 3.494 607 2HB SER 85 1HB SER 85 9.514 0.996 3.930 608 HG SER 85 HG SER 85 8.808 -1.452 3.788 609 H SER 86 H SER 86 6.241 1.100 6.694 610 HA SER 86 HA SER 86 7.861 3.035 8.176 611 1HB SER 86 2HB SER 86 7.578 4.343 6.186 612 2HB SER 86 1HB SER 86 5.878 3.901 6.060 613 HG SER 86 HG SER 86 7.165 5.609 7.901 614 H SER 87 H SER 87 5.703 0.749 8.380 615 HA SER 87 HA SER 87 3.786 2.371 10.054 616 1HB SER 87 2HB SER 87 3.066 0.667 8.147 617 2HB SER 87 1HB SER 87 3.253 -0.500 9.452 618 HG SER 87 HG SER 87 2.010 1.624 10.423 619 H ASP 88 H ASP 88 5.685 -0.649 10.133 620 HA ASP 88 HA ASP 88 6.944 -0.584 12.503 621 1HB ASP 88 2HB ASP 88 5.000 0.199 13.745 622 2HB ASP 88 1HB ASP 88 4.015 -1.124 13.117 623 H VAL 89 H VAL 89 4.624 -2.938 13.150 624 HA VAL 89 HA VAL 89 6.090 -4.981 11.524 625 HB VAL 89 HB VAL 89 6.699 -5.090 13.941 626 1HG1 VAL 89 1HG1 VAL 89 4.422 -4.209 14.682 627 2HG1 VAL 89 2HG1 VAL 89 5.050 -5.572 15.611 628 3HG1 VAL 89 3HG1 VAL 89 3.801 -5.834 14.394 629 1HG2 VAL 89 1HG2 VAL 89 6.401 -7.455 14.145 630 2HG2 VAL 89 2HG2 VAL 89 6.475 -7.132 12.413 631 3HG2 VAL 89 3HG2 VAL 89 4.918 -7.420 13.189 632 H MET 90 H MET 90 4.724 -6.927 11.097 633 HA MET 90 HA MET 90 2.209 -6.259 10.011 634 1HB MET 90 2HB MET 90 3.670 -8.367 9.631 635 2HB MET 90 1HB MET 90 2.838 -9.027 11.037 636 1HG MET 90 2HG MET 90 0.694 -8.136 9.675 637 2HG MET 90 1HG MET 90 1.778 -8.427 8.315 638 1HE MET 90 1HE MET 90 -0.290 -11.377 11.067 639 2HE MET 90 2HE MET 90 -0.749 -9.742 10.599 640 3HE MET 90 3HE MET 90 0.586 -9.987 11.722 641 H ASN 91 H ASN 91 1.118 -5.027 11.707 642 HA ASN 91 HA ASN 91 0.203 -6.635 14.045 643 1HB ASN 91 2HB ASN 91 1.036 -4.012 13.894 644 2HB ASN 91 1HB ASN 91 -0.718 -3.832 13.818 645 1HD2 ASN 91 1HD2 ASN 91 1.965 -4.789 15.885 646 2HD2 ASN 91 2HD2 ASN 91 1.043 -5.014 17.293 647 H TYR 92 H TYR 92 -0.732 -5.809 10.934 648 HA TYR 92 HA TYR 92 -3.569 -6.461 11.573 649 1HB TYR 92 2HB TYR 92 -3.416 -4.058 11.068 650 2HB TYR 92 1HB TYR 92 -2.601 -4.424 9.548 651 HD1 TYR 92 1HD TYR 92 -5.638 -5.772 11.329 652 HD2 TYR 92 2HD TYR 92 -3.992 -4.145 7.708 653 HE1 TYR 92 1HE TYR 92 -7.831 -6.045 10.210 654 HE2 TYR 92 2HE TYR 92 -6.189 -4.420 6.590 655 HH TYR 92 HH TYR 92 -8.449 -4.724 7.031 656 H PHE 93 H PHE 93 -4.664 -7.640 9.842 657 HA PHE 93 HA PHE 93 -2.834 -8.727 7.743 658 1HB PHE 93 2HB PHE 93 -3.755 -10.982 8.143 659 2HB PHE 93 1HB PHE 93 -2.949 -10.361 9.584 660 HD1 PHE 93 1HD PHE 93 -4.158 -9.922 11.602 661 HD2 PHE 93 2HD PHE 93 -6.259 -10.907 7.988 662 HE1 PHE 93 1HE PHE 93 -6.256 -10.186 12.895 663 HE2 PHE 93 2HE PHE 93 -8.358 -11.171 9.279 664 HZ PHE 93 HZ PHE 93 -8.358 -10.811 11.734 665 H ALA 94 H ALA 94 -3.795 -8.984 5.753 666 HA ALA 94 HA ALA 94 -6.625 -9.320 5.360 667 1HB ALA 94 1HB ALA 94 -6.240 -6.802 6.071 668 2HB ALA 94 2HB ALA 94 -7.350 -7.191 4.756 669 3HB ALA 94 3HB ALA 94 -5.720 -6.625 4.395 670 H TRP 95 H TRP 95 -3.865 -10.173 4.422 671 HA TRP 95 HA TRP 95 -3.504 -9.363 1.700 672 1HB TRP 95 2HB TRP 95 -2.285 -11.665 1.593 673 2HB TRP 95 1HB TRP 95 -1.643 -10.428 2.673 674 HD1 TRP 95 HD TRP 95 -1.837 -10.809 5.253 675 HE1 TRP 95 1HE TRP 95 -2.499 -12.843 6.691 676 HE3 TRP 95 3HE TRP 95 -3.878 -13.807 1.657 677 HZ2 TRP 95 2HZ TRP 95 -3.729 -15.404 6.362 678 HZ3 TRP 95 3HZ TRP 95 -4.787 -16.036 2.247 679 HH2 TRP 95 HH TRP 95 -4.716 -16.837 4.593 680 H GLU 96 H GLU 96 -4.003 -10.606 -0.236 681 HA GLU 96 HA GLU 96 -6.691 -11.721 -0.184 682 1HB GLU 96 2HB GLU 96 -5.579 -10.392 -2.098 683 2HB GLU 96 1HB GLU 96 -4.757 -11.900 -2.500 684 1HG GLU 96 2HG GLU 96 -7.058 -13.000 -2.524 685 2HG GLU 96 1HG GLU 96 -7.735 -11.372 -2.460 686 H ARG 97 H ARG 97 -3.478 -13.069 -1.008 687 HA ARG 97 HA ARG 97 -4.443 -15.721 -0.047 688 1HB ARG 97 2HB ARG 97 -4.572 -15.486 -2.602 689 2HB ARG 97 1HB ARG 97 -2.810 -15.422 -2.576 690 1HG ARG 97 2HG ARG 97 -2.729 -17.599 -1.443 691 2HG ARG 97 1HG ARG 97 -4.492 -17.663 -1.414 692 1HD ARG 97 2HD ARG 97 -2.725 -17.634 -3.878 693 2HD ARG 97 1HD ARG 97 -3.701 -18.984 -3.296 694 HE ARG 97 HE ARG 97 -5.428 -16.759 -3.699 695 1HH1 ARG 97 1HH2 ARG 97 -3.611 -19.201 -5.306 696 2HH1 ARG 97 2HH2 ARG 97 -4.459 -19.035 -6.806 697 1HH2 ARG 97 1HH1 ARG 97 -6.452 -16.424 -5.698 698 2HH2 ARG 97 2HH1 ARG 97 -6.067 -17.463 -7.028 699 H ASN 98 H ASN 98 -2.624 -17.171 0.505 700 HA ASN 98 HA ASN 98 -0.424 -15.656 1.691 701 1HB ASN 98 2HB ASN 98 -0.764 -18.662 1.600 702 2HB ASN 98 1HB ASN 98 0.201 -17.728 2.745 703 1HD2 ASN 98 1HD2 ASN 98 -0.910 -16.649 4.492 704 2HD2 ASN 98 2HD2 ASN 98 -2.558 -16.906 4.813 705 HA PRO 99 HA PRO 99 2.335 -16.097 -1.786 706 1HB PRO 99 2HB PRO 99 4.654 -16.327 -0.095 707 2HB PRO 99 1HB PRO 99 4.090 -14.913 -0.988 708 1HG PRO 99 2HG PRO 99 3.990 -15.380 1.853 709 2HG PRO 99 1HG PRO 99 3.502 -13.936 0.962 710 1HD PRO 99 2HD PRO 99 1.792 -15.830 2.262 711 2HD PRO 99 1HD PRO 99 1.303 -14.444 1.255 712 H SER 100 H SER 100 2.475 -18.317 0.937 713 HA SER 100 HA SER 100 4.213 -20.278 -0.191 714 1HB SER 100 2HB SER 100 3.331 -20.128 2.217 715 2HB SER 100 1HB SER 100 1.869 -20.904 1.614 716 HG SER 100 HG SER 100 4.333 -22.020 0.924 717 H THR 101 H THR 101 1.292 -19.207 -1.363 718 HA THR 101 HA THR 101 0.827 -21.801 -2.791 719 HB THR 101 HB THR 101 -1.576 -21.305 -2.788 720 HG1 THR 101 1HG THR 101 -2.343 -19.505 -1.772 721 1HG2 THR 101 1HG2 THR 101 -0.324 -21.119 -0.034 722 2HG2 THR 101 2HG2 THR 101 -0.672 -22.607 -0.915 723 3HG2 THR 101 3HG2 THR 101 -1.995 -21.579 -0.363 724 H ILE 102 H ILE 102 2.361 -19.274 -3.469 725 HA ILE 102 HA ILE 102 0.957 -18.740 -6.059 726 HB ILE 102 HB ILE 102 2.287 -16.730 -4.220 727 1HG1 ILE 102 2HG1 ILE 102 -0.484 -16.746 -5.450 728 2HG1 ILE 102 1HG1 ILE 102 -0.137 -17.405 -3.850 729 1HG2 ILE 102 1HG2 ILE 102 1.459 -16.542 -7.123 730 2HG2 ILE 102 2HG2 ILE 102 3.019 -16.136 -6.410 731 3HG2 ILE 102 3HG2 ILE 102 1.615 -15.115 -6.100 732 1HD1 ILE 102 1HD1 ILE 102 -0.944 -14.968 -3.934 733 2HD1 ILE 102 2HD1 ILE 102 0.637 -14.586 -4.617 734 3HD1 ILE 102 3HD1 ILE 102 0.519 -15.283 -3.000 735 H SER 103 H SER 103 2.299 -18.799 -7.837 736 HA SER 103 HA SER 103 4.865 -20.021 -7.639 737 1HB SER 103 2HB SER 103 3.819 -20.246 -9.736 738 2HB SER 103 1HB SER 103 3.428 -18.532 -9.829 739 HG SER 103 HG SER 103 5.177 -18.604 -11.055 740 H SER 104 H SER 104 6.492 -19.019 -6.531 741 HA SER 104 HA SER 104 7.926 -17.295 -5.791 742 1HB SER 104 2HB SER 104 7.688 -16.600 -8.731 743 2HB SER 104 1HB SER 104 8.969 -16.055 -7.650 744 HG SER 104 HG SER 104 9.719 -18.100 -7.502 745 HA PRO 105 HA PRO 105 4.539 -14.151 -5.506 746 1HB PRO 105 2HB PRO 105 5.304 -13.793 -2.751 747 2HB PRO 105 1HB PRO 105 3.833 -14.532 -3.389 748 1HG PRO 105 2HG PRO 105 5.945 -15.856 -2.052 749 2HG PRO 105 1HG PRO 105 4.581 -16.610 -2.886 750 1HD PRO 105 2HD PRO 105 7.392 -16.429 -3.734 751 2HD PRO 105 1HD PRO 105 6.090 -17.463 -4.377 752 H GLY 106 H GLY 106 5.050 -12.084 -6.148 753 1HA GLY 106 2HA GLY 106 7.630 -10.984 -6.227 754 2HA GLY 106 1HA GLY 106 6.159 -10.007 -6.218 755 H HIS 107 H HIS 107 8.424 -9.054 -4.899 756 HA HIS 107 HA HIS 107 7.889 -9.610 -2.011 757 1HB HIS 107 2HB HIS 107 10.160 -7.878 -2.925 758 2HB HIS 107 1HB HIS 107 10.076 -8.983 -1.552 759 HD1 HIS 107 1HD HIS 107 9.857 -11.644 -2.344 760 HD2 HIS 107 2HD HIS 107 11.517 -8.975 -5.066 761 HE1 HIS 107 1HE HIS 107 11.127 -13.020 -4.042 762 H CYS 108 H CYS 108 5.950 -8.124 -3.343 763 HA CYS 108 HA CYS 108 6.158 -5.551 -1.904 764 1HB CYS 108 2HB CYS 108 5.148 -5.236 -4.658 765 2HB CYS 108 1HB CYS 108 6.220 -4.187 -3.729 766 H ALA 109 H ALA 109 3.968 -4.436 -1.904 767 HA ALA 109 HA ALA 109 1.748 -6.362 -2.457 768 1HB ALA 109 1HB ALA 109 1.459 -4.615 -0.071 769 2HB ALA 109 2HB ALA 109 2.627 -5.928 0.071 770 3HB ALA 109 3HB ALA 109 0.944 -6.282 -0.315 771 H SER 110 H SER 110 -0.096 -5.447 -3.243 772 HA SER 110 HA SER 110 -0.331 -2.480 -3.330 773 1HB SER 110 2HB SER 110 -1.295 -3.407 -5.819 774 2HB SER 110 1HB SER 110 0.169 -2.469 -5.543 775 HG SER 110 HG SER 110 -0.107 -5.296 -5.538 776 H LEU 111 H LEU 111 -2.639 -1.872 -3.947 777 HA LEU 111 HA LEU 111 -4.495 -3.752 -2.624 778 1HB LEU 111 2HB LEU 111 -4.886 -0.951 -3.716 779 2HB LEU 111 1HB LEU 111 -6.144 -1.880 -2.920 780 HG LEU 111 HG LEU 111 -3.661 -1.803 -1.352 781 1HD1 LEU 111 1HD1 LEU 111 -4.123 0.612 -0.627 782 2HD1 LEU 111 2HD1 LEU 111 -5.041 0.775 -2.125 783 3HD1 LEU 111 3HD1 LEU 111 -3.319 0.405 -2.180 784 1HD2 LEU 111 1HD2 LEU 111 -6.038 -2.491 -0.664 785 2HD2 LEU 111 2HD2 LEU 111 -6.412 -0.767 -0.636 786 3HD2 LEU 111 3HD2 LEU 111 -5.181 -1.419 0.444 787 H SER 112 H SER 112 -6.317 -4.635 -3.692 788 HA SER 112 HA SER 112 -6.122 -4.636 -6.684 789 1HB SER 112 2HB SER 112 -7.589 -6.740 -5.106 790 2HB SER 112 1HB SER 112 -6.809 -6.874 -6.679 791 HG SER 112 HG SER 112 -5.653 -6.771 -4.102 792 H ARG 113 H ARG 113 -7.708 -3.491 -7.629 793 HA ARG 113 HA ARG 113 -9.986 -2.423 -6.303 794 1HB ARG 113 2HB ARG 113 -9.181 -1.477 -8.404 795 2HB ARG 113 1HB ARG 113 -9.536 -2.983 -9.251 796 1HG ARG 113 2HG ARG 113 -11.918 -2.715 -8.836 797 2HG ARG 113 1HG ARG 113 -11.619 -1.293 -7.836 798 1HD ARG 113 2HD ARG 113 -10.919 0.002 -9.700 799 2HD ARG 113 1HD ARG 113 -10.727 -1.423 -10.719 800 HE ARG 113 HE ARG 113 -13.417 -1.445 -10.059 801 1HH1 ARG 113 1HH1 ARG 113 -13.428 1.471 -9.834 802 2HH1 ARG 113 2HH1 ARG 113 -13.647 2.000 -11.467 803 1HH2 ARG 113 1HH2 ARG 113 -12.747 -1.045 -12.858 804 2HH2 ARG 113 2HH2 ARG 113 -13.263 0.576 -13.180 805 H SER 114 H SER 114 -9.537 -5.446 -8.090 806 HA SER 114 HA SER 114 -12.241 -6.235 -8.338 807 1HB SER 114 2HB SER 114 -10.707 -7.628 -9.443 808 2HB SER 114 1HB SER 114 -9.662 -7.758 -8.030 809 HG SER 114 HG SER 114 -12.250 -8.880 -8.387 810 H THR 115 H THR 115 -10.122 -6.226 -5.543 811 HA THR 115 HA THR 115 -12.203 -7.630 -3.930 812 HB THR 115 HB THR 115 -10.443 -7.790 -2.206 813 HG1 THR 115 1HG THR 115 -8.872 -6.431 -2.331 814 1HG2 THR 115 1HG2 THR 115 -10.649 -9.448 -4.135 815 2HG2 THR 115 2HG2 THR 115 -9.087 -9.409 -3.319 816 3HG2 THR 115 3HG2 THR 115 -9.287 -8.607 -4.876 817 H ALA 116 H ALA 116 -12.378 -4.801 -4.909 818 HA ALA 116 HA ALA 116 -13.041 -2.718 -4.054 819 1HB ALA 116 1HB ALA 116 -13.367 -4.088 -1.381 820 2HB ALA 116 2HB ALA 116 -14.505 -4.365 -2.699 821 3HB ALA 116 3HB ALA 116 -14.295 -2.743 -2.044 822 H PHE 117 H PHE 117 -10.210 -3.687 -3.825 823 HA PHE 117 HA PHE 117 -8.193 -2.908 -2.926 824 1HB PHE 117 2HB PHE 117 -9.850 -0.610 -1.848 825 2HB PHE 117 1HB PHE 117 -8.125 -0.612 -2.205 826 HD1 PHE 117 1HD PHE 117 -7.316 -0.672 -4.541 827 HD2 PHE 117 2HD PHE 117 -11.499 -0.398 -3.608 828 HE1 PHE 117 1HE PHE 117 -7.788 0.023 -6.872 829 HE2 PHE 117 2HE PHE 117 -11.973 0.297 -5.940 830 HZ PHE 117 HZ PHE 117 -10.118 0.509 -7.572 831 H LEU 118 H LEU 118 -10.269 -4.461 -1.269 832 HA LEU 118 HA LEU 118 -9.405 -3.665 1.466 833 1HB LEU 118 2HB LEU 118 -11.533 -5.562 0.445 834 2HB LEU 118 1HB LEU 118 -11.113 -5.418 2.149 835 HG LEU 118 HG LEU 118 -12.010 -3.106 0.404 836 1HD1 LEU 118 1HD1 LEU 118 -13.771 -4.856 0.812 837 2HD1 LEU 118 2HD1 LEU 118 -14.157 -3.282 1.507 838 3HD1 LEU 118 3HD1 LEU 118 -13.567 -4.583 2.542 839 1HD2 LEU 118 1HD2 LEU 118 -11.141 -3.400 3.259 840 2HD2 LEU 118 2HD2 LEU 118 -12.447 -2.268 2.909 841 3HD2 LEU 118 3HD2 LEU 118 -10.876 -2.064 2.138 842 H ARG 119 H ARG 119 -8.169 -5.483 -0.929 843 HA ARG 119 HA ARG 119 -6.949 -7.411 1.002 844 1HB ARG 119 2HB ARG 119 -7.871 -8.050 -1.816 845 2HB ARG 119 1HB ARG 119 -7.002 -9.153 -0.752 846 1HG ARG 119 2HG ARG 119 -9.652 -7.887 -0.009 847 2HG ARG 119 1HG ARG 119 -9.525 -9.459 -0.796 848 1HD ARG 119 2HD ARG 119 -7.864 -10.014 1.157 849 2HD ARG 119 1HD ARG 119 -8.644 -8.654 1.966 850 HE ARG 119 HE ARG 119 -10.812 -10.086 1.218 851 1HH1 ARG 119 1HH1 ARG 119 -7.940 -10.734 2.980 852 2HH1 ARG 119 2HH1 ARG 119 -8.510 -12.234 3.631 853 1HH2 ARG 119 1HH2 ARG 119 -11.502 -12.161 1.879 854 2HH2 ARG 119 2HH2 ARG 119 -10.527 -13.042 3.007 855 H TRP 120 H TRP 120 -4.756 -7.932 0.531 856 HA TRP 120 HA TRP 120 -3.438 -5.990 -1.310 857 1HB TRP 120 2HB TRP 120 -2.105 -7.767 0.742 858 2HB TRP 120 1HB TRP 120 -1.447 -6.324 -0.027 859 HD1 TRP 120 HD TRP 120 -3.711 -4.271 0.332 860 HE1 TRP 120 1HE TRP 120 -4.394 -3.432 2.673 861 HE3 TRP 120 3HE TRP 120 -1.913 -8.095 3.191 862 HZ2 TRP 120 2HZ TRP 120 -4.199 -4.276 5.400 863 HZ3 TRP 120 3HZ TRP 120 -2.173 -8.055 5.652 864 HH2 TRP 120 HH TRP 120 -3.314 -6.154 6.762 865 H LYS 121 H LYS 121 -2.231 -6.699 -3.046 866 HA LYS 121 HA LYS 121 -2.028 -9.665 -3.442 867 1HB LYS 121 2HB LYS 121 -3.632 -8.307 -4.971 868 2HB LYS 121 1HB LYS 121 -2.156 -7.673 -5.700 869 1HG LYS 121 2HG LYS 121 -1.404 -9.935 -6.236 870 2HG LYS 121 1HG LYS 121 -2.813 -10.620 -5.425 871 1HD LYS 121 2HD LYS 121 -4.231 -9.232 -7.050 872 2HD LYS 121 1HD LYS 121 -2.744 -8.979 -7.962 873 1HE LYS 121 2HE LYS 121 -3.951 -11.671 -7.262 874 2HE LYS 121 1HE LYS 121 -3.976 -10.911 -8.853 875 1HZ LYS 121 1HZ LYS 121 -2.184 -12.528 -8.653 876 2HZ LYS 121 2HZ LYS 121 -1.532 -11.663 -7.344 877 3HZ LYS 121 3HZ LYS 121 -1.572 -10.965 -8.892 878 H ASP 122 H ASP 122 -0.113 -10.418 -4.446 879 HA ASP 122 HA ASP 122 2.208 -8.782 -3.819 880 1HB ASP 122 2HB ASP 122 1.905 -11.531 -5.047 881 2HB ASP 122 1HB ASP 122 3.471 -10.777 -4.752 882 H TYR 123 H TYR 123 3.701 -7.911 -5.334 883 HA TYR 123 HA TYR 123 3.248 -8.272 -8.207 884 1HB TYR 123 2HB TYR 123 2.177 -5.949 -6.736 885 2HB TYR 123 1HB TYR 123 3.157 -5.512 -8.134 886 HD1 TYR 123 1HD TYR 123 -0.100 -6.288 -7.122 887 HD2 TYR 123 2HD TYR 123 2.700 -7.096 -10.278 888 HE1 TYR 123 1HE TYR 123 -1.973 -6.874 -8.634 889 HE2 TYR 123 2HE TYR 123 0.825 -7.682 -11.791 890 HH TYR 123 HH TYR 123 -1.414 -8.281 -11.792 891 H ASN 124 H ASN 124 4.964 -7.217 -9.479 892 HA ASN 124 HA ASN 124 7.530 -7.369 -8.223 893 1HB ASN 124 2HB ASN 124 7.014 -7.684 -10.697 894 2HB ASN 124 1HB ASN 124 6.905 -5.927 -10.812 895 1HD2 ASN 124 1HD2 ASN 124 9.011 -8.106 -11.725 896 2HD2 ASN 124 2HD2 ASN 124 10.485 -7.406 -11.261 897 H CYS 125 H CYS 125 8.534 -5.880 -7.016 898 HA CYS 125 HA CYS 125 7.431 -3.417 -6.224 899 1HB CYS 125 2HB CYS 125 10.302 -4.366 -6.260 900 2HB CYS 125 1HB CYS 125 9.807 -2.844 -5.519 901 H ASN 126 H ASN 126 8.856 -4.128 -9.253 902 HA ASN 126 HA ASN 126 9.772 -1.349 -9.668 903 1HB ASN 126 2HB ASN 126 11.119 -3.151 -10.627 904 2HB ASN 126 1HB ASN 126 9.727 -3.741 -11.536 905 1HD2 ASN 126 1HD2 ASN 126 9.322 -2.776 -13.561 906 2HD2 ASN 126 2HD2 ASN 126 10.151 -1.417 -14.151 907 H VAL 127 H VAL 127 7.081 -3.434 -10.700 908 HA VAL 127 HA VAL 127 6.030 -1.775 -12.749 909 HB VAL 127 HB VAL 127 4.731 -3.617 -10.732 910 1HG1 VAL 127 1HG1 VAL 127 2.635 -3.289 -12.209 911 2HG1 VAL 127 2HG1 VAL 127 3.397 -1.786 -12.733 912 3HG1 VAL 127 3HG1 VAL 127 2.998 -2.026 -11.032 913 1HG2 VAL 127 1HG2 VAL 127 4.305 -4.971 -12.721 914 2HG2 VAL 127 2HG2 VAL 127 6.014 -4.542 -12.667 915 3HG2 VAL 127 3HG2 VAL 127 4.923 -3.689 -13.760 916 H ARG 128 H ARG 128 5.229 0.331 -12.621 917 HA ARG 128 HA ARG 128 5.078 1.511 -9.939 918 1HB ARG 128 2HB ARG 128 4.382 3.544 -11.553 919 2HB ARG 128 1HB ARG 128 6.058 3.069 -11.324 920 1HG ARG 128 2HG ARG 128 5.537 3.332 -13.706 921 2HG ARG 128 1HG ARG 128 5.947 1.660 -13.338 922 1HD ARG 128 2HD ARG 128 3.726 0.942 -13.525 923 2HD ARG 128 1HD ARG 128 3.077 2.557 -13.253 924 HE ARG 128 HE ARG 128 4.545 2.701 -15.646 925 1HH1 ARG 128 1HH2 ARG 128 3.510 -0.093 -16.020 926 2HH1 ARG 128 2HH2 ARG 128 1.992 0.188 -16.805 927 1HH2 ARG 128 1HH1 ARG 128 1.867 3.544 -15.942 928 2HH2 ARG 128 2HH1 ARG 128 1.061 2.247 -16.759 929 H LEU 129 H LEU 129 3.113 2.524 -9.055 930 HA LEU 129 HA LEU 129 0.658 1.927 -10.671 931 1HB LEU 129 2HB LEU 129 1.428 0.655 -8.076 932 2HB LEU 129 1HB LEU 129 -0.263 1.063 -8.296 933 HG LEU 129 HG LEU 129 1.082 -0.360 -10.550 934 1HD1 LEU 129 1HD1 LEU 129 1.951 -1.616 -8.657 935 2HD1 LEU 129 2HD1 LEU 129 0.670 -2.552 -9.425 936 3HD1 LEU 129 3HD1 LEU 129 0.347 -1.683 -7.925 937 1HD2 LEU 129 1HD2 LEU 129 -1.628 -0.355 -9.213 938 2HD2 LEU 129 2HD2 LEU 129 -1.180 -1.574 -10.404 939 3HD2 LEU 129 3HD2 LEU 129 -1.220 0.125 -10.861 940 HA PRO 130 HA PRO 130 -0.654 5.726 -8.807 941 1HB PRO 130 2HB PRO 130 -3.278 4.814 -8.004 942 2HB PRO 130 1HB PRO 130 -2.866 5.821 -9.395 943 1HG PRO 130 2HG PRO 130 -3.699 3.067 -9.392 944 2HG PRO 130 1HG PRO 130 -3.319 4.091 -10.779 945 1HD PRO 130 2HD PRO 130 -1.772 1.902 -9.747 946 2HD PRO 130 1HD PRO 130 -1.350 2.976 -11.101 947 H TYR 131 H TYR 131 -0.451 6.417 -6.522 948 HA TYR 131 HA TYR 131 -0.892 4.231 -4.530 949 1HB TYR 131 2HB TYR 131 1.318 4.504 -3.596 950 2HB TYR 131 1HB TYR 131 1.478 4.210 -5.327 951 HD1 TYR 131 1HD TYR 131 1.553 6.311 -6.871 952 HD2 TYR 131 2HD TYR 131 2.356 6.392 -2.651 953 HE1 TYR 131 1HE TYR 131 2.773 8.452 -7.144 954 HE2 TYR 131 2HE TYR 131 3.578 8.532 -2.927 955 HH TYR 131 HH TYR 131 3.793 10.131 -6.102 956 H VAL 132 H VAL 132 -0.327 5.081 -2.239 957 HA VAL 132 HA VAL 132 -1.385 7.883 -1.981 958 HB VAL 132 HB VAL 132 -1.848 5.486 -0.177 959 1HG1 VAL 132 1HG1 VAL 132 -2.734 8.375 0.095 960 2HG1 VAL 132 2HG1 VAL 132 -1.586 7.546 1.144 961 3HG1 VAL 132 3HG1 VAL 132 -3.277 7.052 1.125 962 1HG2 VAL 132 1HG2 VAL 132 -4.095 5.544 -0.909 963 2HG2 VAL 132 2HG2 VAL 132 -3.161 5.778 -2.388 964 3HG2 VAL 132 3HG2 VAL 132 -3.919 7.160 -1.594 965 H CYS 133 H CYS 133 -0.450 9.074 -0.149 966 HA CYS 133 HA CYS 133 2.094 7.871 0.876 967 1HB CYS 133 2HB CYS 133 2.633 9.367 -0.994 968 2HB CYS 133 1HB CYS 133 1.710 10.666 -0.242 969 H LYS 134 H LYS 134 2.322 8.095 3.058 970 HA LYS 134 HA LYS 134 0.418 9.920 4.466 971 1HB LYS 134 2HB LYS 134 0.782 8.573 6.412 972 2HB LYS 134 1HB LYS 134 0.615 7.438 5.075 973 1HG LYS 134 2HG LYS 134 3.175 7.545 4.879 974 2HG LYS 134 1HG LYS 134 3.150 8.325 6.460 975 1HD LYS 134 2HD LYS 134 1.936 5.616 5.830 976 2HD LYS 134 1HD LYS 134 3.472 5.875 6.658 977 1HE LYS 134 2HE LYS 134 1.975 7.399 8.244 978 2HE LYS 134 1HE LYS 134 0.686 6.357 7.642 979 1HZ LYS 134 1HZ LYS 134 2.050 5.673 9.724 980 2HZ LYS 134 2HZ LYS 134 3.191 5.146 8.582 981 3HZ LYS 134 3HZ LYS 134 1.620 4.503 8.574 982 H PHE 135 H PHE 135 1.270 11.450 6.035 983 HA PHE 135 HA PHE 135 4.087 11.684 6.610 984 1HB PHE 135 2HB PHE 135 4.617 13.666 5.221 985 2HB PHE 135 1HB PHE 135 4.291 12.243 4.234 986 HD1 PHE 135 1HD PHE 135 2.123 12.012 3.033 987 HD2 PHE 135 2HD PHE 135 3.143 15.573 5.208 988 HE1 PHE 135 1HE PHE 135 0.313 13.242 1.868 989 HE2 PHE 135 2HE PHE 135 1.332 16.804 4.041 990 HZ PHE 135 HZ PHE 135 -0.082 15.637 2.372 991 H THR 136 H THR 136 4.004 12.710 8.548 992 HA THR 136 HA THR 136 1.742 14.436 9.234 993 HB THR 136 HB THR 136 4.156 14.372 10.984 994 HG1 THR 136 1HG THR 136 2.756 12.120 10.102 995 1HG2 THR 136 1HG2 THR 136 1.197 13.878 11.435 996 2HG2 THR 136 2HG2 THR 136 2.042 15.401 11.709 997 3HG2 THR 136 3HG2 THR 136 2.420 13.994 12.701 998 H ASP 137 H ASP 137 2.492 16.597 10.464 999 HA ASP 137 HA ASP 137 4.728 17.952 9.113 1000 1HB ASP 137 2HB ASP 137 3.353 19.724 8.151 1001 2HB ASP 137 1HB ASP 137 2.816 18.168 7.516 Start of MODEL 7 1 1H ARG 1 1HT ARG 1 -4.889 22.803 9.760 2 2H ARG 1 2HT ARG 1 -4.040 21.374 9.408 3 3H ARG 1 3HT ARG 1 -5.739 21.371 9.436 4 HA ARG 1 HA ARG 1 -5.942 22.332 7.407 5 1HB ARG 1 2HB ARG 1 -4.812 24.402 7.985 6 2HB ARG 1 1HB ARG 1 -3.244 23.595 7.976 7 1HG ARG 1 2HG ARG 1 -3.319 23.255 5.616 8 2HG ARG 1 1HG ARG 1 -5.031 23.676 5.538 9 1HD ARG 1 2HD ARG 1 -4.596 25.973 5.950 10 2HD ARG 1 1HD ARG 1 -2.954 25.646 6.504 11 HE ARG 1 HE ARG 1 -2.914 24.756 3.898 12 1HH1 ARG 1 1HH1 ARG 1 -5.146 27.045 4.083 13 2HH1 ARG 1 2HH1 ARG 1 -4.247 28.334 3.354 14 1HH2 ARG 1 1HH2 ARG 1 -1.206 26.681 3.548 15 2HH2 ARG 1 2HH2 ARG 1 -2.017 28.127 3.051 16 H CYS 2 H CYS 2 -5.679 21.010 5.664 17 HA CYS 2 HA CYS 2 -3.072 19.772 5.138 18 1HB CYS 2 2HB CYS 2 -5.260 18.363 6.420 19 2HB CYS 2 1HB CYS 2 -4.880 17.620 4.868 20 HA PRO 3 HA PRO 3 -4.226 20.257 0.914 21 1HB PRO 3 2HB PRO 3 -3.666 17.560 0.077 22 2HB PRO 3 1HB PRO 3 -2.662 18.998 -0.122 23 1HG PRO 3 2HG PRO 3 -2.281 16.790 1.699 24 2HG PRO 3 1HG PRO 3 -1.222 18.173 1.414 25 1HD PRO 3 2HD PRO 3 -2.798 17.671 3.741 26 2HD PRO 3 1HD PRO 3 -1.872 19.146 3.370 27 H LYS 4 H LYS 4 -5.819 19.534 -0.729 28 HA LYS 4 HA LYS 4 -8.228 18.492 0.494 29 1HB LYS 4 2HB LYS 4 -7.606 19.283 -2.365 30 2HB LYS 4 1HB LYS 4 -9.205 18.828 -1.781 31 1HG LYS 4 2HG LYS 4 -9.373 21.116 -1.516 32 2HG LYS 4 1HG LYS 4 -8.668 20.711 0.049 33 1HD LYS 4 2HD LYS 4 -6.430 21.233 -0.783 34 2HD LYS 4 1HD LYS 4 -7.070 21.528 -2.401 35 1HE LYS 4 2HE LYS 4 -8.475 23.365 -1.473 36 2HE LYS 4 1HE LYS 4 -7.731 23.104 0.106 37 1HZ LYS 4 1HZ LYS 4 -6.117 24.455 -0.543 38 2HZ LYS 4 2HZ LYS 4 -6.732 24.540 -2.124 39 3HZ LYS 4 3HZ LYS 4 -5.651 23.301 -1.696 40 H GLY 5 H GLY 5 -9.278 16.532 -0.127 41 1HA GLY 5 2HA GLY 5 -9.390 14.323 -0.955 42 2HA GLY 5 1HA GLY 5 -8.017 14.699 -2.006 43 H SER 6 H SER 6 -6.949 15.825 0.770 44 HA SER 6 HA SER 6 -5.460 13.328 1.377 45 1HB SER 6 2HB SER 6 -3.903 14.693 2.508 46 2HB SER 6 1HB SER 6 -4.434 15.706 1.171 47 HG SER 6 HG SER 6 -5.191 15.789 3.893 48 H LYS 7 H LYS 7 -5.607 12.238 3.371 49 HA LYS 7 HA LYS 7 -7.657 13.279 5.300 50 1HB LYS 7 2HB LYS 7 -7.260 10.377 4.504 51 2HB LYS 7 1HB LYS 7 -8.470 10.998 5.625 52 1HG LYS 7 2HG LYS 7 -8.347 12.036 2.799 53 2HG LYS 7 1HG LYS 7 -9.169 10.520 3.152 54 1HD LYS 7 2HD LYS 7 -10.888 11.547 4.272 55 2HD LYS 7 1HD LYS 7 -9.846 12.801 4.940 56 1HE LYS 7 2HE LYS 7 -11.416 13.760 3.304 57 2HE LYS 7 1HE LYS 7 -9.754 13.903 2.729 58 1HZ LYS 7 1HZ LYS 7 -10.993 11.435 1.966 59 2HZ LYS 7 2HZ LYS 7 -10.170 12.575 1.013 60 3HZ LYS 7 3HZ LYS 7 -11.820 12.786 1.361 61 H ALA 8 H ALA 8 -6.997 13.225 7.427 62 HA ALA 8 HA ALA 8 -4.248 12.319 7.955 63 1HB ALA 8 1HB ALA 8 -4.648 13.284 10.221 64 2HB ALA 8 2HB ALA 8 -6.303 13.652 9.738 65 3HB ALA 8 3HB ALA 8 -4.953 14.440 8.924 66 H TYR 9 H TYR 9 -3.691 10.706 9.457 67 HA TYR 9 HA TYR 9 -5.776 9.161 10.815 68 1HB TYR 9 2HB TYR 9 -5.298 8.401 8.238 69 2HB TYR 9 1HB TYR 9 -4.082 7.441 9.078 70 HD1 TYR 9 1HD TYR 9 -4.985 6.302 11.340 71 HD2 TYR 9 2HD TYR 9 -7.427 7.477 8.008 72 HE1 TYR 9 1HE TYR 9 -6.739 4.708 12.065 73 HE2 TYR 9 2HE TYR 9 -9.183 5.882 8.733 74 HH TYR 9 HH TYR 9 -9.876 4.561 10.429 75 H GLY 10 H GLY 10 -4.880 8.026 12.566 76 1HA GLY 10 2HA GLY 10 -3.232 7.413 14.123 77 2HA GLY 10 1HA GLY 10 -2.119 7.282 12.758 78 H SER 11 H SER 11 -1.247 9.418 11.917 79 HA SER 11 HA SER 11 -1.429 11.795 13.523 80 1HB SER 11 2HB SER 11 0.458 11.707 14.871 81 2HB SER 11 1HB SER 11 -0.028 10.015 14.907 82 HG SER 11 HG SER 11 2.217 11.128 13.938 83 H HIS 12 H HIS 12 -1.299 10.908 10.667 84 HA HIS 12 HA HIS 12 0.709 12.889 9.806 85 1HB HIS 12 2HB HIS 12 0.633 10.076 8.678 86 2HB HIS 12 1HB HIS 12 1.709 11.375 8.175 87 HD1 HIS 12 1HD HIS 12 3.863 11.620 9.442 88 HD2 HIS 12 2HD HIS 12 1.117 9.235 11.479 89 HE1 HIS 12 1HE HIS 12 5.086 10.676 11.450 90 H CYS 13 H CYS 13 0.265 13.659 7.628 91 HA CYS 13 HA CYS 13 -2.591 13.436 6.944 92 1HB CYS 13 2HB CYS 13 -0.991 15.564 6.893 93 2HB CYS 13 1HB CYS 13 -0.651 14.981 5.264 94 H TYR 14 H TYR 14 -3.341 12.061 5.393 95 HA TYR 14 HA TYR 14 -1.338 10.662 3.703 96 1HB TYR 14 2HB TYR 14 -4.238 10.029 4.315 97 2HB TYR 14 1HB TYR 14 -3.227 9.086 3.223 98 HD1 TYR 14 1HD TYR 14 -3.073 10.523 6.696 99 HD2 TYR 14 2HD TYR 14 -2.132 7.228 4.104 100 HE1 TYR 14 1HE TYR 14 -2.148 9.273 8.620 101 HE2 TYR 14 2HE TYR 14 -1.207 5.977 6.036 102 HH TYR 14 HH TYR 14 -0.637 7.472 9.089 103 H ALA 15 H ALA 15 -1.439 10.754 1.453 104 HA ALA 15 HA ALA 15 -3.636 12.368 0.246 105 1HB ALA 15 1HB ALA 15 -1.649 13.842 0.642 106 2HB ALA 15 2HB ALA 15 -2.044 13.664 -1.067 107 3HB ALA 15 3HB ALA 15 -0.692 12.766 -0.376 108 H LEU 16 H LEU 16 -4.218 11.688 -1.798 109 HA LEU 16 HA LEU 16 -2.949 9.157 -2.728 110 1HB LEU 16 2HB LEU 16 -5.273 8.836 -2.463 111 2HB LEU 16 1HB LEU 16 -5.659 10.435 -3.093 112 HG LEU 16 HG LEU 16 -4.963 9.730 -5.345 113 1HD1 LEU 16 1HD1 LEU 16 -4.542 7.247 -5.683 114 2HD1 LEU 16 2HD1 LEU 16 -4.371 7.116 -3.934 115 3HD1 LEU 16 3HD1 LEU 16 -3.249 8.112 -4.858 116 1HD2 LEU 16 1HD2 LEU 16 -7.283 9.400 -4.873 117 2HD2 LEU 16 2HD2 LEU 16 -6.950 7.964 -3.906 118 3HD2 LEU 16 3HD2 LEU 16 -6.733 7.918 -5.656 119 H PHE 17 H PHE 17 -1.672 9.227 -4.528 120 HA PHE 17 HA PHE 17 -1.894 11.598 -6.330 121 1HB PHE 17 2HB PHE 17 0.457 9.974 -5.371 122 2HB PHE 17 1HB PHE 17 0.536 10.781 -6.936 123 HD1 PHE 17 1HD PHE 17 0.658 13.186 -7.111 124 HD2 PHE 17 2HD PHE 17 0.169 11.290 -3.288 125 HE1 PHE 17 1HE PHE 17 1.165 15.335 -5.980 126 HE2 PHE 17 2HE PHE 17 0.676 13.439 -2.158 127 HZ PHE 17 HZ PHE 17 1.173 15.462 -3.505 128 H LEU 18 H LEU 18 -2.794 11.024 -8.236 129 HA LEU 18 HA LEU 18 -3.119 8.241 -8.975 130 1HB LEU 18 2HB LEU 18 -3.534 10.621 -10.797 131 2HB LEU 18 1HB LEU 18 -4.336 9.052 -10.862 132 HG LEU 18 HG LEU 18 -4.726 11.268 -8.846 133 1HD1 LEU 18 1HD1 LEU 18 -6.057 11.065 -11.034 134 2HD1 LEU 18 2HD1 LEU 18 -6.996 11.180 -9.548 135 3HD1 LEU 18 3HD1 LEU 18 -6.776 9.617 -10.331 136 1HD2 LEU 18 1HD2 LEU 18 -5.408 8.327 -8.617 137 2HD2 LEU 18 2HD2 LEU 18 -6.262 9.563 -7.698 138 3HD2 LEU 18 3HD2 LEU 18 -4.533 9.326 -7.461 139 H SER 19 H SER 19 -0.437 9.803 -8.753 140 HA SER 19 HA SER 19 0.607 9.360 -11.485 141 1HB SER 19 2HB SER 19 2.682 9.928 -9.573 142 2HB SER 19 1HB SER 19 2.133 10.898 -10.937 143 HG SER 19 HG SER 19 1.882 11.703 -8.628 144 HA PRO 20 HA PRO 20 1.661 5.143 -10.310 145 1HB PRO 20 2HB PRO 20 3.290 4.917 -12.659 146 2HB PRO 20 1HB PRO 20 1.668 4.274 -12.393 147 1HG PRO 20 2HG PRO 20 2.445 6.467 -14.078 148 2HG PRO 20 1HG PRO 20 0.827 5.806 -13.827 149 1HD PRO 20 2HD PRO 20 1.889 8.309 -12.891 150 2HD PRO 20 1HD PRO 20 0.255 7.643 -12.635 151 H LYS 21 H LYS 21 3.526 4.129 -9.401 152 HA LYS 21 HA LYS 21 6.198 5.206 -9.869 153 1HB LYS 21 2HB LYS 21 4.685 5.887 -7.358 154 2HB LYS 21 1HB LYS 21 6.427 5.634 -7.275 155 1HG LYS 21 2HG LYS 21 6.534 7.302 -9.280 156 2HG LYS 21 1HG LYS 21 4.903 7.752 -8.781 157 1HD LYS 21 2HD LYS 21 5.854 8.051 -6.429 158 2HD LYS 21 1HD LYS 21 7.451 7.938 -7.169 159 1HE LYS 21 2HE LYS 21 5.347 10.054 -7.538 160 2HE LYS 21 1HE LYS 21 7.063 10.248 -7.186 161 1HZ LYS 21 1HZ LYS 21 6.091 9.078 -9.725 162 2HZ LYS 21 2HZ LYS 21 7.641 9.675 -9.368 163 3HZ LYS 21 3HZ LYS 21 6.331 10.747 -9.532 164 H SER 22 H SER 22 7.565 3.477 -9.669 165 HA SER 22 HA SER 22 6.799 0.876 -9.008 166 1HB SER 22 2HB SER 22 9.487 2.213 -8.643 167 2HB SER 22 1HB SER 22 9.232 0.480 -8.478 168 HG SER 22 HG SER 22 8.976 2.130 -10.751 169 H TRP 23 H TRP 23 6.895 -0.380 -7.052 170 HA TRP 23 HA TRP 23 6.069 0.956 -4.680 171 1HB TRP 23 2HB TRP 23 5.672 -1.448 -4.998 172 2HB TRP 23 1HB TRP 23 7.408 -1.755 -4.964 173 HD1 TRP 23 HD TRP 23 4.434 -1.253 -2.750 174 HE1 TRP 23 1HE TRP 23 5.151 -1.357 -0.277 175 HE3 TRP 23 3HE TRP 23 9.511 -1.141 -3.297 176 HZ2 TRP 23 2HZ TRP 23 7.558 -1.389 1.267 177 HZ3 TRP 23 3HZ TRP 23 10.991 -1.209 -1.311 178 HH2 TRP 23 HH TRP 23 10.022 -1.333 0.969 179 H THR 24 H THR 24 9.158 0.448 -6.073 180 HA THR 24 HA THR 24 10.605 1.056 -3.564 181 HB THR 24 HB THR 24 11.383 -0.646 -5.319 182 HG1 THR 24 1HG THR 24 13.096 1.492 -4.585 183 1HG2 THR 24 1HG2 THR 24 10.915 1.254 -7.134 184 2HG2 THR 24 2HG2 THR 24 12.177 0.046 -7.370 185 3HG2 THR 24 3HG2 THR 24 12.594 1.655 -6.782 186 H ASP 25 H ASP 25 9.306 2.598 -6.301 187 HA ASP 25 HA ASP 25 11.066 4.955 -6.164 188 1HB ASP 25 2HB ASP 25 10.310 4.317 -8.365 189 2HB ASP 25 1HB ASP 25 8.627 4.304 -7.837 190 H ALA 26 H ALA 26 7.672 4.100 -5.437 191 HA ALA 26 HA ALA 26 7.075 6.771 -4.444 192 1HB ALA 26 1HB ALA 26 4.960 5.856 -3.831 193 2HB ALA 26 2HB ALA 26 5.609 4.217 -3.774 194 3HB ALA 26 3HB ALA 26 5.399 5.026 -5.321 195 H ASP 27 H ASP 27 8.275 3.734 -3.220 196 HA ASP 27 HA ASP 27 7.981 4.281 -0.426 197 1HB ASP 27 2HB ASP 27 8.428 2.034 -1.216 198 2HB ASP 27 1HB ASP 27 9.933 2.558 -1.972 199 H LEU 28 H LEU 28 10.656 4.800 -2.714 200 HA LEU 28 HA LEU 28 12.392 6.002 -0.726 201 1HB LEU 28 2HB LEU 28 12.437 5.586 -3.679 202 2HB LEU 28 1HB LEU 28 13.446 6.886 -3.052 203 HG LEU 28 HG LEU 28 14.567 4.604 -3.232 204 1HD1 LEU 28 1HD1 LEU 28 15.155 6.588 -1.615 205 2HD1 LEU 28 2HD1 LEU 28 15.909 5.017 -1.368 206 3HD1 LEU 28 3HD1 LEU 28 14.549 5.506 -0.362 207 1HD2 LEU 28 1HD2 LEU 28 13.940 2.836 -1.863 208 2HD2 LEU 28 2HD2 LEU 28 12.363 3.544 -2.204 209 3HD2 LEU 28 3HD2 LEU 28 13.170 3.884 -0.674 210 H ALA 29 H ALA 29 10.086 7.272 -3.099 211 HA ALA 29 HA ALA 29 10.855 10.039 -2.650 212 1HB ALA 29 1HB ALA 29 9.700 9.211 -4.717 213 2HB ALA 29 2HB ALA 29 8.918 10.604 -3.970 214 3HB ALA 29 3HB ALA 29 8.243 8.989 -3.751 215 H CYS 30 H CYS 30 7.985 8.117 -1.649 216 HA CYS 30 HA CYS 30 6.917 10.168 0.019 217 1HB CYS 30 2HB CYS 30 6.634 7.153 0.132 218 2HB CYS 30 1HB CYS 30 5.683 8.268 1.120 219 H GLN 31 H GLN 31 9.687 8.213 0.336 220 HA GLN 31 HA GLN 31 9.771 8.227 3.256 221 1HB GLN 31 2HB GLN 31 10.981 6.468 2.105 222 2HB GLN 31 1HB GLN 31 11.881 7.649 1.155 223 1HG GLN 31 2HG GLN 31 13.103 8.403 3.045 224 2HG GLN 31 1HG GLN 31 11.993 7.622 4.173 225 1HE2 GLN 31 1HE2 GLN 31 12.507 5.563 1.532 226 2HE2 GLN 31 2HE2 GLN 31 13.723 4.590 2.207 227 H LYS 32 H LYS 32 10.766 10.307 0.632 228 HA LYS 32 HA LYS 32 12.593 11.899 2.185 229 1HB LYS 32 2HB LYS 32 12.860 13.170 0.274 230 2HB LYS 32 1HB LYS 32 12.198 11.706 -0.449 231 1HG LYS 32 2HG LYS 32 9.881 12.815 -0.078 232 2HG LYS 32 1HG LYS 32 10.791 14.309 0.142 233 1HD LYS 32 2HD LYS 32 11.944 13.726 -2.090 234 2HD LYS 32 1HD LYS 32 10.644 12.553 -2.312 235 1HE LYS 32 2HE LYS 32 9.876 14.530 -3.387 236 2HE LYS 32 1HE LYS 32 9.030 14.496 -1.840 237 1HZ LYS 32 1HZ LYS 32 11.123 15.835 -1.078 238 2HZ LYS 32 2HZ LYS 32 9.823 16.618 -1.840 239 3HZ LYS 32 3HZ LYS 32 11.219 16.231 -2.724 240 H ARG 33 H ARG 33 9.253 11.551 2.259 241 HA ARG 33 HA ARG 33 8.573 14.303 2.931 242 1HB ARG 33 2HB ARG 33 7.152 11.695 2.738 243 2HB ARG 33 1HB ARG 33 6.442 12.900 3.805 244 1HG ARG 33 2HG ARG 33 6.390 14.531 1.974 245 2HG ARG 33 1HG ARG 33 7.177 13.373 0.901 246 1HD ARG 33 2HD ARG 33 5.203 11.805 1.434 247 2HD ARG 33 1HD ARG 33 4.403 13.235 2.084 248 HE ARG 33 HE ARG 33 5.164 14.100 -0.393 249 1HH1 ARG 33 1HH1 ARG 33 4.781 10.840 -0.264 250 2HH1 ARG 33 2HH1 ARG 33 3.365 10.754 -1.258 251 1HH2 ARG 33 1HH2 ARG 33 2.824 14.178 -1.245 252 2HH2 ARG 33 2HH2 ARG 33 2.258 12.644 -1.813 253 HA PRO 34 HA PRO 34 9.452 14.498 7.233 254 1HB PRO 34 2HB PRO 34 6.720 14.878 8.100 255 2HB PRO 34 1HB PRO 34 7.996 16.086 7.944 256 1HG PRO 34 2HG PRO 34 5.729 15.576 6.177 257 2HG PRO 34 1HG PRO 34 6.833 16.957 6.198 258 1HD PRO 34 2HD PRO 34 6.760 14.994 4.214 259 2HD PRO 34 1HD PRO 34 8.143 16.069 4.526 260 H SER 35 H SER 35 9.887 12.129 7.078 261 HA SER 35 HA SER 35 9.681 9.982 7.972 262 1HB SER 35 2HB SER 35 7.302 10.843 9.592 263 2HB SER 35 1HB SER 35 8.601 9.738 10.028 264 HG SER 35 HG SER 35 8.448 12.484 10.215 265 H GLY 36 H GLY 36 7.911 11.200 5.739 266 1HA GLY 36 2HA GLY 36 5.481 9.601 5.855 267 2HA GLY 36 1HA GLY 36 6.040 10.525 4.462 268 H ASN 37 H ASN 37 5.060 8.225 3.731 269 HA ASN 37 HA ASN 37 6.981 6.813 2.302 270 1HB ASN 37 2HB ASN 37 6.940 6.027 5.151 271 2HB ASN 37 1HB ASN 37 6.761 4.675 4.038 272 1HD2 ASN 37 1HD2 ASN 37 8.452 4.631 2.193 273 2HD2 ASN 37 2HD2 ASN 37 10.028 5.121 2.584 274 H LEU 38 H LEU 38 5.962 5.100 1.096 275 HA LEU 38 HA LEU 38 3.429 5.065 0.332 276 1HB LEU 38 2HB LEU 38 4.973 2.621 1.192 277 2HB LEU 38 1HB LEU 38 3.412 2.506 0.385 278 HG LEU 38 HG LEU 38 5.716 4.103 -0.743 279 1HD1 LEU 38 1HD1 LEU 38 4.910 1.291 -1.528 280 2HD1 LEU 38 2HD1 LEU 38 6.268 1.646 -0.461 281 3HD1 LEU 38 3HD1 LEU 38 6.283 2.217 -2.130 282 1HD2 LEU 38 1HD2 LEU 38 4.039 3.111 -2.760 283 2HD2 LEU 38 2HD2 LEU 38 4.081 4.762 -2.144 284 3HD2 LEU 38 3HD2 LEU 38 2.939 3.604 -1.475 285 H VAL 39 H VAL 39 1.393 4.903 1.126 286 HA VAL 39 HA VAL 39 0.604 5.293 3.697 287 HB VAL 39 HB VAL 39 -1.035 5.261 1.955 288 1HG1 VAL 39 1HG1 VAL 39 0.005 3.536 0.548 289 2HG1 VAL 39 2HG1 VAL 39 -1.693 3.151 0.836 290 3HG1 VAL 39 3HG1 VAL 39 -0.431 2.298 1.728 291 1HG2 VAL 39 1HG2 VAL 39 -1.736 2.868 3.663 292 2HG2 VAL 39 2HG2 VAL 39 -2.817 4.104 3.025 293 3HG2 VAL 39 3HG2 VAL 39 -1.694 4.502 4.324 294 H SER 40 H SER 40 -0.334 3.900 5.358 295 HA SER 40 HA SER 40 1.056 1.249 5.579 296 1HB SER 40 2HB SER 40 0.646 1.824 8.143 297 2HB SER 40 1HB SER 40 2.044 2.472 7.292 298 HG SER 40 HG SER 40 -0.322 3.720 8.102 299 H VAL 41 H VAL 41 -0.217 -0.080 7.438 300 HA VAL 41 HA VAL 41 -3.076 0.380 7.574 301 HB VAL 41 HB VAL 41 -3.014 -2.186 6.321 302 1HG1 VAL 41 1HG1 VAL 41 -4.032 0.512 5.406 303 2HG1 VAL 41 2HG1 VAL 41 -4.931 -0.713 6.300 304 3HG1 VAL 41 3HG1 VAL 41 -4.438 -1.021 4.634 305 1HG2 VAL 41 1HG2 VAL 41 -1.909 -0.131 4.412 306 2HG2 VAL 41 2HG2 VAL 41 -1.983 -1.883 4.235 307 3HG2 VAL 41 3HG2 VAL 41 -0.819 -1.159 5.338 308 H LEU 42 H LEU 42 -2.542 0.078 9.831 309 HA LEU 42 HA LEU 42 -1.892 -2.756 10.572 310 1HB LEU 42 2HB LEU 42 -1.368 -0.165 12.038 311 2HB LEU 42 1HB LEU 42 -1.190 -1.753 12.783 312 HG LEU 42 HG LEU 42 0.191 -1.041 10.197 313 1HD1 LEU 42 1HD1 LEU 42 1.176 -0.688 13.044 314 2HD1 LEU 42 2HD1 LEU 42 0.951 0.584 11.845 315 3HD1 LEU 42 3HD1 LEU 42 2.217 -0.623 11.623 316 1HD2 LEU 42 1HD2 LEU 42 1.744 -2.857 11.066 317 2HD2 LEU 42 2HD2 LEU 42 0.130 -3.404 10.630 318 3HD2 LEU 42 3HD2 LEU 42 0.550 -3.164 12.321 319 H SER 43 H SER 43 -4.555 -1.083 10.114 320 HA SER 43 HA SER 43 -5.898 -2.310 12.474 321 1HB SER 43 2HB SER 43 -7.338 -0.179 12.568 322 2HB SER 43 1HB SER 43 -5.709 -0.069 13.226 323 HG SER 43 HG SER 43 -5.081 0.732 11.123 324 H GLY 44 H GLY 44 -8.054 -2.941 12.058 325 1HA GLY 44 2HA GLY 44 -8.680 -3.590 9.336 326 2HA GLY 44 1HA GLY 44 -9.802 -3.716 10.694 327 H ALA 45 H ALA 45 -9.111 -0.729 11.186 328 HA ALA 45 HA ALA 45 -11.330 0.293 9.544 329 1HB ALA 45 1HB ALA 45 -11.228 2.242 10.936 330 2HB ALA 45 2HB ALA 45 -9.601 1.844 11.485 331 3HB ALA 45 3HB ALA 45 -10.970 0.863 12.004 332 H GLU 46 H GLU 46 -7.827 0.640 9.790 333 HA GLU 46 HA GLU 46 -7.639 2.856 7.941 334 1HB GLU 46 2HB GLU 46 -5.669 0.838 9.021 335 2HB GLU 46 1HB GLU 46 -5.199 1.988 7.768 336 1HG GLU 46 2HG GLU 46 -5.656 3.860 9.171 337 2HG GLU 46 1HG GLU 46 -6.523 2.864 10.341 338 H GLY 47 H GLY 47 -7.410 -0.681 7.609 339 1HA GLY 47 2HA GLY 47 -6.671 -0.699 4.847 340 2HA GLY 47 1HA GLY 47 -7.490 -2.022 5.680 341 H SER 48 H SER 48 -9.795 -0.396 6.462 342 HA SER 48 HA SER 48 -11.276 -0.577 3.932 343 1HB SER 48 2HB SER 48 -12.557 -1.363 5.731 344 2HB SER 48 1HB SER 48 -12.002 -0.086 6.811 345 HG SER 48 HG SER 48 -13.255 0.885 4.599 346 H PHE 49 H PHE 49 -10.063 1.918 6.104 347 HA PHE 49 HA PHE 49 -11.486 4.105 4.866 348 1HB PHE 49 2HB PHE 49 -10.362 4.089 7.170 349 2HB PHE 49 1HB PHE 49 -8.838 4.313 6.312 350 HD1 PHE 49 1HD PHE 49 -8.490 6.338 4.885 351 HD2 PHE 49 2HD PHE 49 -11.941 5.882 7.401 352 HE1 PHE 49 1HE PHE 49 -8.950 8.767 4.694 353 HE2 PHE 49 2HE PHE 49 -12.402 8.312 7.210 354 HZ PHE 49 HZ PHE 49 -10.906 9.754 5.856 355 H VAL 50 H VAL 50 -8.143 2.870 4.514 356 HA VAL 50 HA VAL 50 -7.330 4.736 2.527 357 HB VAL 50 HB VAL 50 -6.445 1.844 2.791 358 1HG1 VAL 50 1HG1 VAL 50 -5.767 2.929 0.684 359 2HG1 VAL 50 2HG1 VAL 50 -4.374 2.682 1.737 360 3HG1 VAL 50 3HG1 VAL 50 -5.097 4.285 1.592 361 1HG2 VAL 50 1HG2 VAL 50 -4.928 2.510 4.441 362 2HG2 VAL 50 2HG2 VAL 50 -6.316 3.519 4.844 363 3HG2 VAL 50 3HG2 VAL 50 -4.966 4.199 3.940 364 H SER 51 H SER 51 -8.992 1.608 2.273 365 HA SER 51 HA SER 51 -8.957 1.338 -0.544 366 1HB SER 51 2HB SER 51 -9.830 -0.536 0.526 367 2HB SER 51 1HB SER 51 -10.802 0.424 1.635 368 HG SER 51 HG SER 51 -11.309 0.506 -1.129 369 H SER 52 H SER 52 -11.328 3.015 1.540 370 HA SER 52 HA SER 52 -12.969 3.926 -0.643 371 1HB SER 52 2HB SER 52 -13.581 3.825 1.845 372 2HB SER 52 1HB SER 52 -12.668 5.321 2.023 373 HG SER 52 HG SER 52 -14.281 5.511 -0.098 374 H LEU 53 H LEU 53 -9.970 5.062 0.704 375 HA LEU 53 HA LEU 53 -10.193 7.772 -0.345 376 1HB LEU 53 2HB LEU 53 -8.723 7.596 1.484 377 2HB LEU 53 1HB LEU 53 -8.007 6.106 0.884 378 HG LEU 53 HG LEU 53 -6.986 7.420 -1.002 379 1HD1 LEU 53 1HD1 LEU 53 -8.017 9.761 0.642 380 2HD1 LEU 53 2HD1 LEU 53 -8.557 9.323 -0.979 381 3HD1 LEU 53 3HD1 LEU 53 -6.908 9.891 -0.722 382 1HD2 LEU 53 1HD2 LEU 53 -6.266 8.478 1.746 383 2HD2 LEU 53 2HD2 LEU 53 -5.200 8.332 0.347 384 3HD2 LEU 53 3HD2 LEU 53 -5.799 6.883 1.158 385 H VAL 54 H VAL 54 -9.216 4.672 -1.556 386 HA VAL 54 HA VAL 54 -8.242 5.978 -4.072 387 HB VAL 54 HB VAL 54 -6.791 4.033 -4.383 388 1HG1 VAL 54 1HG1 VAL 54 -5.204 4.550 -2.686 389 2HG1 VAL 54 2HG1 VAL 54 -6.466 4.962 -1.524 390 3HG1 VAL 54 3HG1 VAL 54 -6.147 6.027 -2.892 391 1HG2 VAL 54 1HG2 VAL 54 -7.975 2.224 -3.407 392 2HG2 VAL 54 2HG2 VAL 54 -8.208 3.087 -1.888 393 3HG2 VAL 54 3HG2 VAL 54 -6.613 2.470 -2.314 394 H LYS 55 H LYS 55 -10.968 4.834 -3.051 395 HA LYS 55 HA LYS 55 -11.440 2.669 -4.998 396 1HB LYS 55 2HB LYS 55 -12.530 2.559 -2.802 397 2HB LYS 55 1HB LYS 55 -13.318 4.107 -3.097 398 1HG LYS 55 2HG LYS 55 -14.593 3.187 -4.930 399 2HG LYS 55 1HG LYS 55 -13.689 1.675 -4.867 400 1HD LYS 55 2HD LYS 55 -15.126 2.602 -2.398 401 2HD LYS 55 1HD LYS 55 -16.063 1.872 -3.699 402 1HE LYS 55 2HE LYS 55 -13.575 0.539 -2.628 403 2HE LYS 55 1HE LYS 55 -15.148 0.295 -1.871 404 1HZ LYS 55 1HZ LYS 55 -15.180 -1.375 -3.391 405 2HZ LYS 55 2HZ LYS 55 -14.197 -0.551 -4.504 406 3HZ LYS 55 3HZ LYS 55 -15.838 -0.140 -4.352 407 H SER 56 H SER 56 -11.631 6.096 -4.922 408 HA SER 56 HA SER 56 -13.506 6.114 -7.252 409 1HB SER 56 2HB SER 56 -13.957 7.552 -5.170 410 2HB SER 56 1HB SER 56 -12.581 8.524 -5.683 411 HG SER 56 HG SER 56 -13.656 9.120 -7.472 412 H ILE 57 H ILE 57 -10.484 5.537 -7.145 413 HA ILE 57 HA ILE 57 -9.062 7.695 -8.303 414 HB ILE 57 HB ILE 57 -7.879 5.772 -7.477 415 1HG1 ILE 57 2HG1 ILE 57 -7.680 5.676 -10.496 416 2HG1 ILE 57 1HG1 ILE 57 -6.973 6.959 -9.515 417 1HG2 ILE 57 1HG2 ILE 57 -9.879 4.217 -8.141 418 2HG2 ILE 57 2HG2 ILE 57 -8.246 3.558 -8.156 419 3HG2 ILE 57 3HG2 ILE 57 -9.013 4.040 -9.666 420 1HD1 ILE 57 1HD1 ILE 57 -5.376 5.090 -10.060 421 2HD1 ILE 57 2HD1 ILE 57 -6.394 4.019 -9.099 422 3HD1 ILE 57 3HD1 ILE 57 -5.582 5.383 -8.335 423 H GLY 58 H GLY 58 -10.544 4.889 -9.989 424 1HA GLY 58 2HA GLY 58 -12.024 5.894 -11.958 425 2HA GLY 58 1HA GLY 58 -10.443 6.440 -12.521 426 H ASN 59 H ASN 59 -12.254 4.496 -13.800 427 HA ASN 59 HA ASN 59 -11.463 1.824 -13.430 428 1HB ASN 59 2HB ASN 59 -12.064 2.969 -16.152 429 2HB ASN 59 1HB ASN 59 -12.470 1.373 -15.518 430 1HD2 ASN 59 1HD2 ASN 59 -13.244 4.856 -15.098 431 2HD2 ASN 59 2HD2 ASN 59 -14.804 4.593 -14.483 432 H SER 60 H SER 60 -9.802 4.464 -15.011 433 HA SER 60 HA SER 60 -7.975 2.911 -16.584 434 1HB SER 60 2HB SER 60 -6.512 5.032 -16.310 435 2HB SER 60 1HB SER 60 -8.070 5.210 -17.112 436 HG SER 60 HG SER 60 -7.561 6.758 -15.385 437 H TYR 61 H TYR 61 -8.412 2.486 -13.462 438 HA TYR 61 HA TYR 61 -5.696 1.516 -13.003 439 1HB TYR 61 2HB TYR 61 -6.847 3.770 -11.345 440 2HB TYR 61 1HB TYR 61 -5.440 2.818 -10.874 441 HD1 TYR 61 1HD TYR 61 -6.433 5.783 -12.452 442 HD2 TYR 61 2HD TYR 61 -3.631 2.551 -12.868 443 HE1 TYR 61 1HE TYR 61 -4.985 7.218 -13.862 444 HE2 TYR 61 2HE TYR 61 -2.184 3.988 -14.278 445 HH TYR 61 HH TYR 61 -3.254 7.043 -15.492 446 H SER 62 H SER 62 -5.967 -0.384 -11.965 447 HA SER 62 HA SER 62 -8.465 -0.779 -10.362 448 1HB SER 62 2HB SER 62 -6.841 -2.604 -12.114 449 2HB SER 62 1HB SER 62 -7.830 -3.277 -10.823 450 HG SER 62 HG SER 62 -8.689 -2.751 -13.139 451 H TYR 63 H TYR 63 -4.952 -1.195 -10.399 452 HA TYR 63 HA TYR 63 -5.161 -2.152 -7.575 453 1HB TYR 63 2HB TYR 63 -3.045 -2.534 -9.672 454 2HB TYR 63 1HB TYR 63 -2.713 -2.814 -7.963 455 HD1 TYR 63 1HD TYR 63 -5.425 -3.604 -10.450 456 HD2 TYR 63 2HD TYR 63 -2.976 -4.998 -7.210 457 HE1 TYR 63 1HE TYR 63 -6.487 -5.838 -10.604 458 HE2 TYR 63 2HE TYR 63 -4.031 -7.233 -7.371 459 HH TYR 63 HH TYR 63 -6.456 -7.941 -9.884 460 H VAL 64 H VAL 64 -3.414 -1.401 -6.105 461 HA VAL 64 HA VAL 64 -2.332 1.302 -6.771 462 HB VAL 64 HB VAL 64 -3.957 0.645 -4.293 463 1HG1 VAL 64 1HG1 VAL 64 -2.064 2.356 -4.126 464 2HG1 VAL 64 2HG1 VAL 64 -3.668 2.899 -3.641 465 3HG1 VAL 64 3HG1 VAL 64 -3.025 3.354 -5.216 466 1HG2 VAL 64 1HG2 VAL 64 -4.608 2.255 -6.772 467 2HG2 VAL 64 2HG2 VAL 64 -5.565 2.307 -5.292 468 3HG2 VAL 64 3HG2 VAL 64 -5.432 0.803 -6.201 469 H TRP 65 H TRP 65 -0.366 1.731 -5.674 470 HA TRP 65 HA TRP 65 0.910 -0.618 -4.459 471 1HB TRP 65 2HB TRP 65 1.787 1.979 -5.550 472 2HB TRP 65 1HB TRP 65 2.715 1.444 -4.159 473 HD1 TRP 65 HD TRP 65 3.536 1.625 -7.344 474 HE1 TRP 65 1HE TRP 65 4.693 -0.424 -8.376 475 HE3 TRP 65 3HE TRP 65 2.140 -1.985 -3.988 476 HZ2 TRP 65 2HZ TRP 65 4.963 -3.208 -7.878 477 HZ3 TRP 65 3HZ TRP 65 2.866 -4.325 -4.313 478 HH2 TRP 65 HH TRP 65 4.275 -4.941 -6.248 479 H ILE 66 H ILE 66 1.646 -0.728 -2.272 480 HA ILE 66 HA ILE 66 0.899 1.553 -0.506 481 HB ILE 66 HB ILE 66 0.151 -0.173 1.218 482 1HG1 ILE 66 2HG1 ILE 66 -0.011 -1.932 -1.245 483 2HG1 ILE 66 1HG1 ILE 66 1.138 -2.144 0.073 484 1HG2 ILE 66 1HG2 ILE 66 -2.031 -0.623 -0.418 485 2HG2 ILE 66 2HG2 ILE 66 -1.275 0.765 -1.194 486 3HG2 ILE 66 3HG2 ILE 66 -1.753 0.855 0.499 487 1HD1 ILE 66 1HD1 ILE 66 -1.886 -2.282 0.290 488 2HD1 ILE 66 2HD1 ILE 66 -0.775 -2.391 1.656 489 3HD1 ILE 66 3HD1 ILE 66 -0.770 -3.641 0.411 490 H GLY 67 H GLY 67 1.965 1.019 1.779 491 1HA GLY 67 2HA GLY 67 4.776 0.487 1.196 492 2HA GLY 67 1HA GLY 67 4.129 1.096 2.718 493 H LEU 68 H LEU 68 3.784 -1.880 0.767 494 HA LEU 68 HA LEU 68 4.475 -3.402 3.237 495 1HB LEU 68 2HB LEU 68 1.929 -3.366 2.420 496 2HB LEU 68 1HB LEU 68 2.526 -4.607 1.323 497 HG LEU 68 HG LEU 68 1.767 -5.758 3.279 498 1HD1 LEU 68 1HD1 LEU 68 4.729 -5.497 3.776 499 2HD1 LEU 68 2HD1 LEU 68 4.101 -6.324 2.351 500 3HD1 LEU 68 3HD1 LEU 68 3.710 -6.914 3.962 501 1HD2 LEU 68 1HD2 LEU 68 2.434 -3.384 4.618 502 2HD2 LEU 68 2HD2 LEU 68 3.516 -4.599 5.293 503 3HD2 LEU 68 3HD2 LEU 68 1.773 -4.851 5.335 504 H HIS 69 H HIS 69 6.051 -4.920 2.877 505 HA HIS 69 HA HIS 69 6.449 -5.913 0.116 506 1HB HIS 69 2HB HIS 69 8.809 -5.404 0.107 507 2HB HIS 69 1HB HIS 69 7.937 -3.911 0.452 508 HD1 HIS 69 1HD HIS 69 10.685 -5.859 1.681 509 HD2 HIS 69 2HD HIS 69 7.707 -3.568 3.464 510 HE1 HIS 69 1HE HIS 69 11.487 -5.345 4.028 511 H ASP 70 H ASP 70 8.462 -7.483 0.289 512 HA ASP 70 HA ASP 70 7.856 -9.320 2.570 513 1HB ASP 70 2HB ASP 70 9.046 -9.976 -0.139 514 2HB ASP 70 1HB ASP 70 8.583 -11.133 1.108 515 HA PRO 71 HA PRO 71 12.139 -7.797 3.357 516 1HB PRO 71 2HB PRO 71 11.812 -8.750 6.059 517 2HB PRO 71 1HB PRO 71 11.895 -7.082 5.490 518 1HG PRO 71 2HG PRO 71 9.620 -8.452 6.497 519 2HG PRO 71 1HG PRO 71 9.682 -6.824 5.820 520 1HD PRO 71 2HD PRO 71 8.550 -9.226 4.639 521 2HD PRO 71 1HD PRO 71 8.487 -7.555 4.030 522 H THR 72 H THR 72 10.673 -10.826 3.308 523 HA THR 72 HA THR 72 13.085 -12.314 4.165 524 HB THR 72 HB THR 72 11.733 -14.286 3.969 525 HG1 THR 72 1HG THR 72 9.589 -12.834 2.912 526 1HG2 THR 72 1HG2 THR 72 10.018 -11.993 4.963 527 2HG2 THR 72 2HG2 THR 72 11.214 -12.876 5.913 528 3HG2 THR 72 3HG2 THR 72 9.761 -13.697 5.339 529 H GLN 73 H GLN 73 11.744 -10.988 1.303 530 HA GLN 73 HA GLN 73 12.304 -11.251 -0.963 531 1HB GLN 73 2HB GLN 73 14.842 -11.974 0.501 532 2HB GLN 73 1HB GLN 73 14.770 -12.042 -1.259 533 1HG GLN 73 2HG GLN 73 13.882 -9.587 0.262 534 2HG GLN 73 1HG GLN 73 15.566 -9.826 -0.204 535 1HE2 GLN 73 1HE2 GLN 73 13.427 -7.866 -1.233 536 2HE2 GLN 73 2HE2 GLN 73 13.443 -8.088 -2.916 537 H GLY 74 H GLY 74 10.650 -13.190 -0.529 538 1HA GLY 74 2HA GLY 74 10.082 -15.446 -0.913 539 2HA GLY 74 1HA GLY 74 11.244 -15.303 -2.233 540 H THR 75 H THR 75 11.392 -15.557 1.339 541 HA THR 75 HA THR 75 12.917 -18.025 1.203 542 HB THR 75 HB THR 75 14.432 -15.656 2.305 543 HG1 THR 75 1HG THR 75 14.454 -15.051 0.275 544 1HG2 THR 75 1HG2 THR 75 15.271 -18.379 1.269 545 2HG2 THR 75 2HG2 THR 75 15.134 -17.926 2.967 546 3HG2 THR 75 3HG2 THR 75 16.349 -17.159 1.946 547 H GLU 76 H GLU 76 10.887 -18.243 2.593 548 HA GLU 76 HA GLU 76 11.641 -17.744 5.420 549 1HB GLU 76 2HB GLU 76 8.886 -17.317 5.432 550 2HB GLU 76 1HB GLU 76 10.118 -16.064 5.566 551 1HG GLU 76 2HG GLU 76 8.487 -15.578 3.755 552 2HG GLU 76 1HG GLU 76 10.125 -15.771 3.135 553 HA PRO 77 HA PRO 77 10.250 -21.868 6.108 554 1HB PRO 77 2HB PRO 77 8.553 -21.283 8.359 555 2HB PRO 77 1HB PRO 77 10.195 -21.930 8.366 556 1HG PRO 77 2HG PRO 77 9.316 -19.276 9.084 557 2HG PRO 77 1HG PRO 77 10.941 -19.960 9.187 558 1HD PRO 77 2HD PRO 77 10.023 -17.974 7.347 559 2HD PRO 77 1HD PRO 77 11.608 -18.785 7.353 560 H ASN 78 H ASN 78 7.335 -20.291 7.377 561 HA ASN 78 HA ASN 78 5.737 -21.870 5.450 562 1HB ASN 78 2HB ASN 78 5.302 -21.629 8.025 563 2HB ASN 78 1HB ASN 78 4.567 -20.090 7.578 564 1HD2 ASN 78 1HD2 ASN 78 4.501 -23.511 6.406 565 2HD2 ASN 78 2HD2 ASN 78 2.826 -23.534 6.129 566 H GLY 79 H GLY 79 6.880 -18.662 5.894 567 1HA GLY 79 2HA GLY 79 6.698 -17.022 4.110 568 2HA GLY 79 1HA GLY 79 5.178 -17.767 3.615 569 H GLU 80 H GLU 80 6.648 -15.957 6.317 570 HA GLU 80 HA GLU 80 4.203 -14.334 6.528 571 1HB GLU 80 2HB GLU 80 5.147 -16.141 8.772 572 2HB GLU 80 1HB GLU 80 4.019 -14.807 9.004 573 1HG GLU 80 2HG GLU 80 2.601 -15.886 7.158 574 2HG GLU 80 1HG GLU 80 3.626 -17.308 7.354 575 H GLY 81 H GLY 81 6.235 -13.057 5.728 576 1HA GLY 81 2HA GLY 81 7.539 -11.847 8.137 577 2HA GLY 81 1HA GLY 81 8.469 -12.187 6.677 578 H TRP 82 H TRP 82 5.633 -11.398 5.394 579 HA TRP 82 HA TRP 82 6.305 -9.001 4.227 580 1HB TRP 82 2HB TRP 82 3.496 -8.929 5.045 581 2HB TRP 82 1HB TRP 82 4.185 -9.066 3.428 582 HD1 TRP 82 HD TRP 82 5.398 -11.699 3.104 583 HE1 TRP 82 1HE TRP 82 4.193 -13.937 3.540 584 HE3 TRP 82 3HE TRP 82 1.661 -10.101 6.194 585 HZ2 TRP 82 2HZ TRP 82 1.941 -14.919 5.005 586 HZ3 TRP 82 3HZ TRP 82 0.001 -11.706 7.096 587 HH2 TRP 82 HH TRP 82 0.137 -14.111 6.506 588 H GLU 83 H GLU 83 6.840 -6.997 5.022 589 HA GLU 83 HA GLU 83 5.600 -6.185 7.638 590 1HB GLU 83 2HB GLU 83 8.156 -6.886 7.562 591 2HB GLU 83 1HB GLU 83 8.361 -5.266 6.895 592 1HG GLU 83 2HG GLU 83 6.914 -4.486 8.901 593 2HG GLU 83 1HG GLU 83 7.280 -6.065 9.594 594 H TRP 84 H TRP 84 5.126 -3.923 7.811 595 HA TRP 84 HA TRP 84 4.703 -2.616 5.248 596 1HB TRP 84 2HB TRP 84 4.299 -1.043 7.719 597 2HB TRP 84 1HB TRP 84 3.214 -1.289 6.352 598 HD1 TRP 84 HD TRP 84 4.560 -3.275 9.384 599 HE1 TRP 84 1HE TRP 84 2.715 -4.896 10.157 600 HE3 TRP 84 3HE TRP 84 1.006 -2.314 5.853 601 HZ2 TRP 84 2HZ TRP 84 0.078 -5.689 9.376 602 HZ3 TRP 84 3HZ TRP 84 -1.159 -3.517 5.887 603 HH2 TRP 84 HH TRP 84 -1.628 -5.199 7.645 604 H SER 85 H SER 85 5.936 -1.008 4.388 605 HA SER 85 HA SER 85 8.470 -0.417 5.741 606 1HB SER 85 2HB SER 85 8.804 -0.684 3.434 607 2HB SER 85 1HB SER 85 7.320 0.173 3.027 608 HG SER 85 HG SER 85 8.366 2.076 3.881 609 H SER 86 H SER 86 5.444 0.744 6.066 610 HA SER 86 HA SER 86 6.470 3.367 6.998 611 1HB SER 86 2HB SER 86 5.130 4.623 5.640 612 2HB SER 86 1HB SER 86 5.169 3.198 4.605 613 HG SER 86 HG SER 86 3.036 3.860 5.015 614 H SER 87 H SER 87 5.093 0.601 7.976 615 HA SER 87 HA SER 87 3.186 2.086 9.783 616 1HB SER 87 2HB SER 87 2.798 -0.834 9.390 617 2HB SER 87 1HB SER 87 1.616 0.446 9.618 618 HG SER 87 HG SER 87 1.427 -0.038 7.519 619 H ASP 88 H ASP 88 5.212 -0.868 9.655 620 HA ASP 88 HA ASP 88 6.893 -0.612 11.743 621 1HB ASP 88 2HB ASP 88 5.237 0.228 13.285 622 2HB ASP 88 1HB ASP 88 4.132 -1.094 12.908 623 H VAL 89 H VAL 89 4.662 -2.947 12.857 624 HA VAL 89 HA VAL 89 6.097 -5.090 11.331 625 HB VAL 89 HB VAL 89 6.667 -4.994 13.768 626 1HG1 VAL 89 1HG1 VAL 89 3.789 -5.815 14.211 627 2HG1 VAL 89 2HG1 VAL 89 4.344 -4.151 14.400 628 3HG1 VAL 89 3HG1 VAL 89 5.000 -5.423 15.431 629 1HG2 VAL 89 1HG2 VAL 89 4.988 -7.429 13.116 630 2HG2 VAL 89 2HG2 VAL 89 6.429 -7.353 14.130 631 3HG2 VAL 89 3HG2 VAL 89 6.566 -7.139 12.383 632 H MET 90 H MET 90 4.781 -7.072 11.013 633 HA MET 90 HA MET 90 2.213 -6.498 9.928 634 1HB MET 90 2HB MET 90 3.823 -8.510 9.506 635 2HB MET 90 1HB MET 90 2.980 -9.255 10.865 636 1HG MET 90 2HG MET 90 0.809 -8.585 9.592 637 2HG MET 90 1HG MET 90 1.869 -8.407 8.194 638 1HE MET 90 1HE MET 90 1.135 -10.843 11.222 639 2HE MET 90 2HE MET 90 0.422 -12.158 10.288 640 3HE MET 90 3HE MET 90 -0.285 -10.546 10.208 641 H ASN 91 H ASN 91 1.055 -5.379 11.656 642 HA ASN 91 HA ASN 91 0.259 -7.136 13.939 643 1HB ASN 91 2HB ASN 91 1.062 -4.560 14.058 644 2HB ASN 91 1HB ASN 91 -0.662 -4.298 13.791 645 1HD2 ASN 91 1HD2 ASN 91 -2.171 -5.391 15.376 646 2HD2 ASN 91 2HD2 ASN 91 -1.624 -5.686 16.954 647 H TYR 92 H TYR 92 -0.758 -5.935 10.929 648 HA TYR 92 HA TYR 92 -3.552 -6.794 11.512 649 1HB TYR 92 2HB TYR 92 -3.467 -4.361 11.170 650 2HB TYR 92 1HB TYR 92 -2.662 -4.605 9.622 651 HD1 TYR 92 1HD TYR 92 -5.658 -6.076 11.370 652 HD2 TYR 92 2HD TYR 92 -4.059 -4.321 7.787 653 HE1 TYR 92 1HE TYR 92 -7.856 -6.343 10.255 654 HE2 TYR 92 2HE TYR 92 -6.259 -4.592 6.675 655 HH TYR 92 HH TYR 92 -9.104 -5.395 8.407 656 H PHE 93 H PHE 93 -4.610 -7.913 9.728 657 HA PHE 93 HA PHE 93 -2.771 -8.771 7.531 658 1HB PHE 93 2HB PHE 93 -3.921 -11.083 7.834 659 2HB PHE 93 1HB PHE 93 -2.644 -10.634 8.965 660 HD1 PHE 93 1HD PHE 93 -6.336 -10.752 8.504 661 HD2 PHE 93 2HD PHE 93 -3.090 -10.338 11.285 662 HE1 PHE 93 1HE PHE 93 -7.928 -10.967 10.393 663 HE2 PHE 93 2HE PHE 93 -4.681 -10.554 13.175 664 HZ PHE 93 HZ PHE 93 -7.101 -10.868 12.729 665 H ALA 94 H ALA 94 -3.787 -9.081 5.547 666 HA ALA 94 HA ALA 94 -6.628 -9.406 5.231 667 1HB ALA 94 1HB ALA 94 -6.049 -6.836 5.907 668 2HB ALA 94 2HB ALA 94 -7.406 -7.280 4.873 669 3HB ALA 94 3HB ALA 94 -5.890 -6.737 4.154 670 H TRP 95 H TRP 95 -3.899 -10.252 4.194 671 HA TRP 95 HA TRP 95 -3.754 -9.398 1.430 672 1HB TRP 95 2HB TRP 95 -2.318 -11.604 1.314 673 2HB TRP 95 1HB TRP 95 -1.712 -10.217 2.217 674 HD1 TRP 95 HD TRP 95 -1.503 -10.424 4.800 675 HE1 TRP 95 1HE TRP 95 -1.809 -12.371 6.461 676 HE3 TRP 95 3HE TRP 95 -3.769 -13.835 1.748 677 HZ2 TRP 95 2HZ TRP 95 -2.875 -15.026 6.491 678 HZ3 TRP 95 3HZ TRP 95 -4.418 -16.062 2.618 679 HH2 TRP 95 HH TRP 95 -3.973 -16.662 4.983 680 H GLU 96 H GLU 96 -4.247 -10.748 -0.437 681 HA GLU 96 HA GLU 96 -6.778 -12.158 -0.153 682 1HB GLU 96 2HB GLU 96 -5.958 -10.770 -2.178 683 2HB GLU 96 1HB GLU 96 -5.023 -12.200 -2.612 684 1HG GLU 96 2HG GLU 96 -7.098 -13.553 -2.594 685 2HG GLU 96 1HG GLU 96 -8.027 -12.106 -2.198 686 H ARG 97 H ARG 97 -3.421 -13.097 -0.868 687 HA ARG 97 HA ARG 97 -4.007 -15.811 0.143 688 1HB ARG 97 2HB ARG 97 -2.964 -15.282 -2.657 689 2HB ARG 97 1HB ARG 97 -2.979 -16.864 -1.878 690 1HG ARG 97 2HG ARG 97 -5.495 -16.507 -1.542 691 2HG ARG 97 1HG ARG 97 -5.346 -15.157 -2.667 692 1HD ARG 97 2HD ARG 97 -4.060 -17.028 -4.109 693 2HD ARG 97 1HD ARG 97 -5.125 -18.086 -3.184 694 HE ARG 97 HE ARG 97 -5.945 -16.298 -5.312 695 1HH1 ARG 97 1HH1 ARG 97 -6.818 -18.144 -2.551 696 2HH1 ARG 97 2HH1 ARG 97 -8.521 -17.900 -2.753 697 1HH2 ARG 97 1HH2 ARG 97 -8.164 -15.798 -5.488 698 2HH2 ARG 97 2HH2 ARG 97 -9.283 -16.572 -4.416 699 H ASN 98 H ASN 98 -2.163 -16.752 1.052 700 HA ASN 98 HA ASN 98 0.074 -14.984 1.551 701 1HB ASN 98 2HB ASN 98 1.037 -17.096 2.657 702 2HB ASN 98 1HB ASN 98 -0.479 -16.481 3.318 703 1HD2 ASN 98 1HD2 ASN 98 -2.260 -17.897 3.307 704 2HD2 ASN 98 2HD2 ASN 98 -2.283 -19.394 2.509 705 HA PRO 99 HA PRO 99 2.558 -15.968 -2.001 706 1HB PRO 99 2HB PRO 99 5.013 -16.014 -0.495 707 2HB PRO 99 1HB PRO 99 4.388 -14.725 -1.529 708 1HG PRO 99 2HG PRO 99 4.507 -14.812 1.357 709 2HG PRO 99 1HG PRO 99 4.001 -13.478 0.317 710 1HD PRO 99 2HD PRO 99 2.329 -15.074 1.987 711 2HD PRO 99 1HD PRO 99 1.803 -13.868 0.784 712 H SER 100 H SER 100 2.451 -17.931 0.817 713 HA SER 100 HA SER 100 4.262 -20.014 -0.062 714 1HB SER 100 2HB SER 100 3.399 -19.584 2.325 715 2HB SER 100 1HB SER 100 1.923 -20.398 1.813 716 HG SER 100 HG SER 100 3.633 -21.738 2.786 717 H THR 101 H THR 101 1.232 -19.028 -1.165 718 HA THR 101 HA THR 101 0.788 -21.700 -2.447 719 HB THR 101 HB THR 101 -1.675 -21.076 -2.412 720 HG1 THR 101 1HG THR 101 -0.977 -19.344 -0.319 721 1HG2 THR 101 1HG2 THR 101 -0.676 -22.708 -0.840 722 2HG2 THR 101 2HG2 THR 101 -1.980 -21.791 -0.084 723 3HG2 THR 101 3HG2 THR 101 -0.300 -21.389 0.270 724 H ILE 102 H ILE 102 2.182 -19.161 -3.324 725 HA ILE 102 HA ILE 102 0.598 -18.753 -5.831 726 HB ILE 102 HB ILE 102 2.177 -16.643 -4.335 727 1HG1 ILE 102 2HG1 ILE 102 -0.823 -16.911 -4.706 728 2HG1 ILE 102 1HG1 ILE 102 0.033 -17.329 -3.223 729 1HG2 ILE 102 1HG2 ILE 102 1.099 -15.121 -6.002 730 2HG2 ILE 102 2HG2 ILE 102 0.443 -16.536 -6.822 731 3HG2 ILE 102 3HG2 ILE 102 2.188 -16.288 -6.751 732 1HD1 ILE 102 1HD1 ILE 102 0.993 -14.901 -3.384 733 2HD1 ILE 102 2HD1 ILE 102 -0.654 -15.127 -2.802 734 3HD1 ILE 102 3HD1 ILE 102 -0.371 -14.618 -4.465 735 H SER 103 H SER 103 1.885 -18.511 -7.725 736 HA SER 103 HA SER 103 4.368 -19.913 -7.764 737 1HB SER 103 2HB SER 103 3.054 -18.023 -9.722 738 2HB SER 103 1HB SER 103 4.614 -18.767 -10.057 739 HG SER 103 HG SER 103 3.466 -20.406 -10.689 740 H SER 104 H SER 104 6.509 -18.968 -8.320 741 HA SER 104 HA SER 104 7.842 -17.434 -6.665 742 1HB SER 104 2HB SER 104 7.931 -16.529 -9.541 743 2HB SER 104 1HB SER 104 9.251 -16.585 -8.375 744 HG SER 104 HG SER 104 9.529 -18.619 -8.827 745 HA PRO 105 HA PRO 105 4.897 -13.867 -6.578 746 1HB PRO 105 2HB PRO 105 5.604 -13.531 -3.805 747 2HB PRO 105 1HB PRO 105 4.073 -14.097 -4.481 748 1HG PRO 105 2HG PRO 105 5.949 -15.639 -3.034 749 2HG PRO 105 1HG PRO 105 4.534 -16.239 -3.904 750 1HD PRO 105 2HD PRO 105 7.377 -16.428 -4.643 751 2HD PRO 105 1HD PRO 105 5.984 -17.317 -5.307 752 H GLY 106 H GLY 106 5.337 -11.555 -6.132 753 1HA GLY 106 2HA GLY 106 8.118 -10.850 -6.694 754 2HA GLY 106 1HA GLY 106 6.776 -9.715 -6.513 755 H HIS 107 H HIS 107 7.422 -8.322 -4.911 756 HA HIS 107 HA HIS 107 7.840 -9.457 -2.225 757 1HB HIS 107 2HB HIS 107 9.887 -7.427 -3.004 758 2HB HIS 107 1HB HIS 107 10.016 -8.778 -1.879 759 HD1 HIS 107 1HD HIS 107 10.571 -11.120 -2.875 760 HD2 HIS 107 2HD HIS 107 10.492 -8.077 -5.706 761 HE1 HIS 107 1HE HIS 107 11.616 -12.051 -4.981 762 H CYS 108 H CYS 108 5.951 -7.663 -3.791 763 HA CYS 108 HA CYS 108 5.800 -5.542 -1.722 764 1HB CYS 108 2HB CYS 108 5.895 -5.058 -4.702 765 2HB CYS 108 1HB CYS 108 5.256 -3.874 -3.563 766 H ALA 109 H ALA 109 3.638 -4.832 -1.356 767 HA ALA 109 HA ALA 109 1.570 -6.523 -2.704 768 1HB ALA 109 1HB ALA 109 0.899 -5.162 -0.154 769 2HB ALA 109 2HB ALA 109 2.112 -6.437 -0.050 770 3HB ALA 109 3HB ALA 109 0.511 -6.792 -0.698 771 H SER 110 H SER 110 -0.363 -5.569 -3.359 772 HA SER 110 HA SER 110 -0.565 -2.597 -3.256 773 1HB SER 110 2HB SER 110 -1.481 -2.948 -5.726 774 2HB SER 110 1HB SER 110 0.245 -2.763 -5.433 775 HG SER 110 HG SER 110 -0.074 -5.252 -5.102 776 H LEU 111 H LEU 111 -2.855 -1.906 -3.807 777 HA LEU 111 HA LEU 111 -4.760 -3.821 -2.606 778 1HB LEU 111 2HB LEU 111 -5.137 -0.963 -3.556 779 2HB LEU 111 1HB LEU 111 -6.351 -1.913 -2.712 780 HG LEU 111 HG LEU 111 -3.814 -1.938 -1.266 781 1HD1 LEU 111 1HD1 LEU 111 -4.087 0.490 -0.506 782 2HD1 LEU 111 2HD1 LEU 111 -5.068 0.729 -1.951 783 3HD1 LEU 111 3HD1 LEU 111 -3.375 0.255 -2.102 784 1HD2 LEU 111 1HD2 LEU 111 -5.259 -1.344 0.591 785 2HD2 LEU 111 2HD2 LEU 111 -6.099 -2.534 -0.403 786 3HD2 LEU 111 3HD2 LEU 111 -6.534 -0.829 -0.514 787 H SER 112 H SER 112 -6.167 -5.010 -3.824 788 HA SER 112 HA SER 112 -6.121 -4.623 -6.770 789 1HB SER 112 2HB SER 112 -5.688 -6.886 -5.792 790 2HB SER 112 1HB SER 112 -7.321 -6.877 -5.133 791 HG SER 112 HG SER 112 -6.588 -7.646 -7.513 792 H ARG 113 H ARG 113 -7.776 -3.551 -7.726 793 HA ARG 113 HA ARG 113 -10.071 -2.606 -6.311 794 1HB ARG 113 2HB ARG 113 -9.419 -1.471 -8.324 795 2HB ARG 113 1HB ARG 113 -9.526 -2.952 -9.271 796 1HG ARG 113 2HG ARG 113 -12.022 -2.207 -7.852 797 2HG ARG 113 1HG ARG 113 -11.525 -1.079 -9.110 798 1HD ARG 113 2HD ARG 113 -11.646 -2.707 -10.800 799 2HD ARG 113 1HD ARG 113 -11.559 -4.044 -9.655 800 HE ARG 113 HE ARG 113 -13.977 -2.471 -10.302 801 1HH1 ARG 113 1HH1 ARG 113 -13.836 -5.478 -10.314 802 2HH1 ARG 113 2HH1 ARG 113 -14.646 -5.877 -8.835 803 1HH2 ARG 113 1HH2 ARG 113 -14.392 -2.677 -7.524 804 2HH2 ARG 113 2HH2 ARG 113 -14.961 -4.291 -7.256 805 H SER 114 H SER 114 -9.575 -5.503 -8.300 806 HA SER 114 HA SER 114 -12.269 -6.352 -8.489 807 1HB SER 114 2HB SER 114 -9.679 -7.901 -8.349 808 2HB SER 114 1HB SER 114 -11.233 -8.692 -8.583 809 HG SER 114 HG SER 114 -10.595 -6.490 -10.183 810 H THR 115 H THR 115 -10.355 -5.975 -5.718 811 HA THR 115 HA THR 115 -12.162 -7.792 -4.161 812 HB THR 115 HB THR 115 -10.353 -8.030 -2.536 813 HG1 THR 115 1HG THR 115 -8.868 -6.574 -2.500 814 1HG2 THR 115 1HG2 THR 115 -9.607 -8.519 -5.422 815 2HG2 THR 115 2HG2 THR 115 -10.264 -9.670 -4.261 816 3HG2 THR 115 3HG2 THR 115 -8.610 -9.085 -4.082 817 H ALA 116 H ALA 116 -12.530 -4.928 -4.950 818 HA ALA 116 HA ALA 116 -13.323 -2.966 -3.938 819 1HB ALA 116 1HB ALA 116 -13.350 -4.428 -1.302 820 2HB ALA 116 2HB ALA 116 -14.517 -4.828 -2.561 821 3HB ALA 116 3HB ALA 116 -14.465 -3.197 -1.895 822 H PHE 117 H PHE 117 -10.408 -3.699 -3.939 823 HA PHE 117 HA PHE 117 -8.400 -2.830 -3.095 824 1HB PHE 117 2HB PHE 117 -10.168 -0.647 -1.954 825 2HB PHE 117 1HB PHE 117 -8.455 -0.533 -2.347 826 HD1 PHE 117 1HD PHE 117 -7.694 -0.401 -4.670 827 HD2 PHE 117 2HD PHE 117 -11.872 -0.642 -3.704 828 HE1 PHE 117 1HE PHE 117 -8.269 0.294 -6.981 829 HE2 PHE 117 2HE PHE 117 -12.447 0.053 -6.014 830 HZ PHE 117 HZ PHE 117 -10.645 0.522 -7.651 831 H LEU 118 H LEU 118 -10.334 -4.488 -1.338 832 HA LEU 118 HA LEU 118 -9.412 -3.611 1.349 833 1HB LEU 118 2HB LEU 118 -11.486 -5.585 0.386 834 2HB LEU 118 1HB LEU 118 -10.966 -5.535 2.069 835 HG LEU 118 HG LEU 118 -12.064 -3.156 0.541 836 1HD1 LEU 118 1HD1 LEU 118 -14.124 -3.495 1.764 837 2HD1 LEU 118 2HD1 LEU 118 -13.416 -4.829 2.674 838 3HD1 LEU 118 3HD1 LEU 118 -13.721 -5.005 0.946 839 1HD2 LEU 118 1HD2 LEU 118 -10.963 -3.580 3.290 840 2HD2 LEU 118 2HD2 LEU 118 -12.368 -2.525 3.141 841 3HD2 LEU 118 3HD2 LEU 118 -10.889 -2.152 2.257 842 H ARG 119 H ARG 119 -8.822 -6.028 -1.076 843 HA ARG 119 HA ARG 119 -7.175 -7.601 0.861 844 1HB ARG 119 2HB ARG 119 -8.114 -8.338 -1.927 845 2HB ARG 119 1HB ARG 119 -7.229 -9.388 -0.821 846 1HG ARG 119 2HG ARG 119 -9.950 -8.173 -0.252 847 2HG ARG 119 1HG ARG 119 -9.677 -9.834 -0.777 848 1HD ARG 119 2HD ARG 119 -8.033 -9.887 1.300 849 2HD ARG 119 1HD ARG 119 -9.038 -8.550 1.857 850 HE ARG 119 HE ARG 119 -10.837 -10.071 2.147 851 1HH1 ARG 119 1HH1 ARG 119 -8.595 -12.017 2.793 852 2HH1 ARG 119 2HH1 ARG 119 -9.034 -13.379 1.817 853 1HH2 ARG 119 1HH2 ARG 119 -11.251 -11.584 -0.156 854 2HH2 ARG 119 2HH2 ARG 119 -10.537 -13.133 0.147 855 H TRP 120 H TRP 120 -4.977 -8.009 0.381 856 HA TRP 120 HA TRP 120 -3.777 -6.069 -1.531 857 1HB TRP 120 2HB TRP 120 -2.323 -7.780 0.496 858 2HB TRP 120 1HB TRP 120 -1.748 -6.311 -0.293 859 HD1 TRP 120 HD TRP 120 -4.129 -4.385 0.108 860 HE1 TRP 120 1HE TRP 120 -4.788 -3.558 2.461 861 HE3 TRP 120 3HE TRP 120 -2.009 -8.051 2.954 862 HZ2 TRP 120 2HZ TRP 120 -4.457 -4.352 5.191 863 HZ3 TRP 120 3HZ TRP 120 -2.194 -7.997 5.421 864 HH2 TRP 120 HH TRP 120 -3.415 -6.154 6.544 865 H LYS 121 H LYS 121 -2.153 -6.795 -3.041 866 HA LYS 121 HA LYS 121 -2.029 -9.739 -3.495 867 1HB LYS 121 2HB LYS 121 -3.571 -8.013 -5.062 868 2HB LYS 121 1HB LYS 121 -2.085 -8.200 -5.989 869 1HG LYS 121 2HG LYS 121 -3.697 -10.516 -4.874 870 2HG LYS 121 1HG LYS 121 -3.823 -9.927 -6.532 871 1HD LYS 121 2HD LYS 121 -1.287 -10.282 -6.689 872 2HD LYS 121 1HD LYS 121 -1.430 -11.193 -5.187 873 1HE LYS 121 2HE LYS 121 -2.673 -11.806 -7.870 874 2HE LYS 121 1HE LYS 121 -1.624 -12.830 -6.891 875 1HZ LYS 121 1HZ LYS 121 -3.544 -12.551 -5.171 876 2HZ LYS 121 2HZ LYS 121 -3.659 -13.708 -6.410 877 3HZ LYS 121 3HZ LYS 121 -4.472 -12.224 -6.551 878 H ASP 122 H ASP 122 -0.059 -10.459 -4.268 879 HA ASP 122 HA ASP 122 2.173 -8.679 -3.865 880 1HB ASP 122 2HB ASP 122 2.105 -11.452 -5.086 881 2HB ASP 122 1HB ASP 122 3.555 -10.609 -4.541 882 H TYR 123 H TYR 123 3.574 -7.781 -5.440 883 HA TYR 123 HA TYR 123 3.037 -8.298 -8.291 884 1HB TYR 123 2HB TYR 123 1.883 -6.040 -6.901 885 2HB TYR 123 1HB TYR 123 3.037 -5.461 -8.101 886 HD1 TYR 123 1HD TYR 123 2.914 -6.754 -10.443 887 HD2 TYR 123 2HD TYR 123 -0.304 -6.447 -7.612 888 HE1 TYR 123 1HE TYR 123 1.280 -7.211 -12.250 889 HE2 TYR 123 2HE TYR 123 -1.938 -6.904 -9.422 890 HH TYR 123 HH TYR 123 -1.439 -6.540 -12.480 891 H ASN 124 H ASN 124 4.721 -7.384 -9.667 892 HA ASN 124 HA ASN 124 7.339 -7.575 -8.639 893 1HB ASN 124 2HB ASN 124 6.227 -6.217 -11.097 894 2HB ASN 124 1HB ASN 124 7.955 -6.221 -10.748 895 1HD2 ASN 124 1HD2 ASN 124 6.540 -9.037 -9.485 896 2HD2 ASN 124 2HD2 ASN 124 6.907 -10.091 -10.764 897 H CYS 125 H CYS 125 8.235 -6.288 -7.124 898 HA CYS 125 HA CYS 125 7.311 -3.835 -6.178 899 1HB CYS 125 2HB CYS 125 10.129 -4.926 -6.304 900 2HB CYS 125 1HB CYS 125 9.706 -3.458 -5.423 901 H ASN 126 H ASN 126 8.489 -4.328 -9.301 902 HA ASN 126 HA ASN 126 9.579 -1.560 -9.479 903 1HB ASN 126 2HB ASN 126 10.786 -3.612 -10.463 904 2HB ASN 126 1HB ASN 126 9.538 -3.602 -11.709 905 1HD2 ASN 126 1HD2 ASN 126 9.165 -0.952 -12.305 906 2HD2 ASN 126 2HD2 ASN 126 10.614 -0.229 -12.812 907 H VAL 127 H VAL 127 6.877 -3.536 -10.660 908 HA VAL 127 HA VAL 127 5.954 -1.814 -12.720 909 HB VAL 127 HB VAL 127 4.464 -3.566 -10.747 910 1HG1 VAL 127 1HG1 VAL 127 2.513 -3.237 -12.376 911 2HG1 VAL 127 2HG1 VAL 127 3.388 -1.830 -12.979 912 3HG1 VAL 127 3HG1 VAL 127 2.859 -1.885 -11.297 913 1HG2 VAL 127 1HG2 VAL 127 4.730 -3.849 -13.745 914 2HG2 VAL 127 2HG2 VAL 127 4.291 -5.087 -12.567 915 3HG2 VAL 127 3HG2 VAL 127 5.950 -4.488 -12.641 916 H ARG 128 H ARG 128 5.078 0.288 -12.609 917 HA ARG 128 HA ARG 128 5.021 1.492 -9.937 918 1HB ARG 128 2HB ARG 128 4.344 2.864 -12.532 919 2HB ARG 128 1HB ARG 128 5.058 3.552 -11.081 920 1HG ARG 128 2HG ARG 128 7.079 2.108 -11.470 921 2HG ARG 128 1HG ARG 128 6.375 1.642 -13.017 922 1HD ARG 128 2HD ARG 128 6.197 4.179 -13.483 923 2HD ARG 128 1HD ARG 128 7.319 4.369 -12.135 924 HE ARG 128 HE ARG 128 8.578 2.498 -13.707 925 1HH1 ARG 128 1HH2 ARG 128 6.634 4.826 -15.133 926 2HH1 ARG 128 2HH2 ARG 128 7.893 5.561 -16.069 927 1HH2 ARG 128 1HH1 ARG 128 10.437 3.760 -14.549 928 2HH2 ARG 128 2HH1 ARG 128 10.046 4.958 -15.737 929 H LEU 129 H LEU 129 3.086 2.467 -8.975 930 HA LEU 129 HA LEU 129 0.609 2.011 -10.603 931 1HB LEU 129 2HB LEU 129 1.270 0.725 -7.963 932 2HB LEU 129 1HB LEU 129 -0.403 1.059 -8.372 933 HG LEU 129 HG LEU 129 0.835 -0.186 -10.648 934 1HD1 LEU 129 1HD1 LEU 129 1.236 -1.620 -8.008 935 2HD1 LEU 129 2HD1 LEU 129 2.495 -1.128 -9.140 936 3HD1 LEU 129 3HD1 LEU 129 1.352 -2.393 -9.589 937 1HD2 LEU 129 1HD2 LEU 129 -1.212 -1.121 -8.623 938 2HD2 LEU 129 2HD2 LEU 129 -0.913 -1.884 -10.186 939 3HD2 LEU 129 3HD2 LEU 129 -1.546 -0.239 -10.115 940 HA PRO 130 HA PRO 130 -0.598 5.798 -8.645 941 1HB PRO 130 2HB PRO 130 -3.267 4.929 -7.953 942 2HB PRO 130 1HB PRO 130 -2.788 5.975 -9.293 943 1HG PRO 130 2HG PRO 130 -3.672 3.228 -9.400 944 2HG PRO 130 1HG PRO 130 -3.281 4.307 -10.740 945 1HD PRO 130 2HD PRO 130 -1.763 2.053 -9.850 946 2HD PRO 130 1HD PRO 130 -1.292 3.238 -11.093 947 H TYR 131 H TYR 131 -0.432 6.393 -6.324 948 HA TYR 131 HA TYR 131 -1.039 4.163 -4.430 949 1HB TYR 131 2HB TYR 131 1.163 4.411 -3.376 950 2HB TYR 131 1HB TYR 131 1.320 3.972 -5.075 951 HD1 TYR 131 1HD TYR 131 1.939 5.668 -6.773 952 HD2 TYR 131 2HD TYR 131 1.863 6.585 -2.579 953 HE1 TYR 131 1HE TYR 131 3.248 7.728 -7.200 954 HE2 TYR 131 2HE TYR 131 3.178 8.644 -3.008 955 HH TYR 131 HH TYR 131 3.877 9.730 -6.278 956 H VAL 132 H VAL 132 -0.344 4.933 -2.100 957 HA VAL 132 HA VAL 132 -1.241 7.771 -1.721 958 HB VAL 132 HB VAL 132 -2.058 5.350 -0.073 959 1HG1 VAL 132 1HG1 VAL 132 -3.469 6.997 1.145 960 2HG1 VAL 132 2HG1 VAL 132 -2.726 8.296 0.215 961 3HG1 VAL 132 3HG1 VAL 132 -1.752 7.339 1.330 962 1HG2 VAL 132 1HG2 VAL 132 -3.187 5.692 -2.324 963 2HG2 VAL 132 2HG2 VAL 132 -3.786 7.227 -1.698 964 3HG2 VAL 132 3HG2 VAL 132 -4.270 5.714 -0.932 965 H CYS 133 H CYS 133 -0.357 8.705 0.321 966 HA CYS 133 HA CYS 133 1.776 7.099 1.609 967 1HB CYS 133 2HB CYS 133 2.272 9.602 -0.001 968 2HB CYS 133 1HB CYS 133 3.385 9.069 1.260 969 H LYS 134 H LYS 134 2.339 7.837 3.668 970 HA LYS 134 HA LYS 134 0.491 9.887 4.799 971 1HB LYS 134 2HB LYS 134 0.612 8.744 6.815 972 2HB LYS 134 1HB LYS 134 0.873 7.409 5.695 973 1HG LYS 134 2HG LYS 134 3.387 7.946 5.922 974 2HG LYS 134 1HG LYS 134 2.925 8.906 7.328 975 1HD LYS 134 2HD LYS 134 1.659 6.787 8.112 976 2HD LYS 134 1HD LYS 134 2.624 5.933 6.907 977 1HE LYS 134 2HE LYS 134 3.584 7.449 9.336 978 2HE LYS 134 1HE LYS 134 3.888 5.766 8.907 979 1HZ LYS 134 1HZ LYS 134 5.736 7.443 8.493 980 2HZ LYS 134 2HZ LYS 134 4.799 7.985 7.182 981 3HZ LYS 134 3HZ LYS 134 5.354 6.379 7.228 982 H PHE 135 H PHE 135 1.402 11.499 6.288 983 HA PHE 135 HA PHE 135 4.215 11.851 6.714 984 1HB PHE 135 2HB PHE 135 4.638 13.722 5.120 985 2HB PHE 135 1HB PHE 135 4.355 12.192 4.293 986 HD1 PHE 135 1HD PHE 135 2.266 11.775 3.073 987 HD2 PHE 135 2HD PHE 135 2.978 15.514 5.062 988 HE1 PHE 135 1HE PHE 135 0.368 12.791 1.843 989 HE2 PHE 135 2HE PHE 135 1.079 16.530 3.831 990 HZ PHE 135 HZ PHE 135 -0.225 15.169 2.223 991 H THR 136 H THR 136 4.260 13.192 8.469 992 HA THR 136 HA THR 136 1.904 14.715 9.223 993 HB THR 136 HB THR 136 4.541 15.238 10.533 994 HG1 THR 136 1HG THR 136 4.884 13.164 10.571 995 1HG2 THR 136 1HG2 THR 136 1.764 14.574 11.553 996 2HG2 THR 136 2HG2 THR 136 2.453 16.193 11.421 997 3HG2 THR 136 3HG2 THR 136 3.140 15.031 12.556 998 H ASP 137 H ASP 137 2.287 17.124 9.915 999 HA ASP 137 HA ASP 137 3.163 18.546 7.501 1000 1HB ASP 137 2HB ASP 137 2.421 20.574 8.905 1001 2HB ASP 137 1HB ASP 137 1.171 19.409 8.465 Start of MODEL 8 1 1H ARG 1 1HT ARG 1 -6.143 22.079 9.805 2 2H ARG 1 2HT ARG 1 -4.522 22.364 10.228 3 3H ARG 1 3HT ARG 1 -4.992 20.846 9.630 4 HA ARG 1 HA ARG 1 -5.801 22.538 7.669 5 1HB ARG 1 2HB ARG 1 -4.454 24.297 8.930 6 2HB ARG 1 1HB ARG 1 -3.018 23.355 8.532 7 1HG ARG 1 2HG ARG 1 -3.795 23.482 6.092 8 2HG ARG 1 1HG ARG 1 -4.929 24.721 6.632 9 1HD ARG 1 2HD ARG 1 -2.977 25.893 5.897 10 2HD ARG 1 1HD ARG 1 -2.929 25.924 7.660 11 HE ARG 1 HE ARG 1 -1.499 23.632 6.661 12 1HH1 ARG 1 1HH1 ARG 1 -1.146 26.452 8.356 13 2HH1 ARG 1 2HH1 ARG 1 0.474 26.791 7.847 14 1HH2 ARG 1 1HH2 ARG 1 0.510 24.316 5.417 15 2HH2 ARG 1 2HH2 ARG 1 1.412 25.581 6.183 16 H CYS 2 H CYS 2 -5.449 21.204 5.961 17 HA CYS 2 HA CYS 2 -2.867 19.840 5.679 18 1HB CYS 2 2HB CYS 2 -5.257 18.512 6.642 19 2HB CYS 2 1HB CYS 2 -4.754 17.814 5.103 20 HA PRO 3 HA PRO 3 -3.471 20.553 1.373 21 1HB PRO 3 2HB PRO 3 -3.008 17.848 0.498 22 2HB PRO 3 1HB PRO 3 -1.891 19.213 0.466 23 1HG PRO 3 2HG PRO 3 -1.884 16.930 2.237 24 2HG PRO 3 1HG PRO 3 -0.698 18.234 2.121 25 1HD PRO 3 2HD PRO 3 -2.548 17.795 4.242 26 2HD PRO 3 1HD PRO 3 -1.499 19.215 4.018 27 H LYS 4 H LYS 4 -4.897 20.005 -0.479 28 HA LYS 4 HA LYS 4 -7.499 19.084 0.411 29 1HB LYS 4 2HB LYS 4 -6.519 19.941 -2.323 30 2HB LYS 4 1HB LYS 4 -8.203 19.634 -1.904 31 1HG LYS 4 2HG LYS 4 -6.611 21.586 -0.260 32 2HG LYS 4 1HG LYS 4 -7.261 22.097 -1.817 33 1HD LYS 4 2HD LYS 4 -9.526 21.360 -1.084 34 2HD LYS 4 1HD LYS 4 -8.855 20.952 0.496 35 1HE LYS 4 2HE LYS 4 -9.788 23.151 0.706 36 2HE LYS 4 1HE LYS 4 -8.038 23.355 0.641 37 1HZ LYS 4 1HZ LYS 4 -9.767 23.520 -1.758 38 2HZ LYS 4 2HZ LYS 4 -8.145 23.997 -1.609 39 3HZ LYS 4 3HZ LYS 4 -9.368 24.875 -0.821 40 H GLY 5 H GLY 5 -8.537 17.187 -0.293 41 1HA GLY 5 2HA GLY 5 -8.717 15.049 -1.294 42 2HA GLY 5 1HA GLY 5 -7.239 15.395 -2.204 43 H SER 6 H SER 6 -6.289 16.308 0.666 44 HA SER 6 HA SER 6 -5.074 13.665 1.280 45 1HB SER 6 2HB SER 6 -4.544 16.466 2.298 46 2HB SER 6 1HB SER 6 -3.755 15.046 2.973 47 HG SER 6 HG SER 6 -3.227 14.602 0.652 48 H LYS 7 H LYS 7 -5.497 12.520 3.188 49 HA LYS 7 HA LYS 7 -7.541 13.717 5.034 50 1HB LYS 7 2HB LYS 7 -7.390 10.822 4.137 51 2HB LYS 7 1HB LYS 7 -8.581 11.506 5.238 52 1HG LYS 7 2HG LYS 7 -8.391 12.936 2.661 53 2HG LYS 7 1HG LYS 7 -8.918 11.263 2.507 54 1HD LYS 7 2HD LYS 7 -10.874 12.670 2.807 55 2HD LYS 7 1HD LYS 7 -10.653 11.699 4.261 56 1HE LYS 7 2HE LYS 7 -9.803 13.530 5.494 57 2HE LYS 7 1HE LYS 7 -9.477 14.470 4.037 58 1HZ LYS 7 1HZ LYS 7 -12.043 14.198 3.726 59 2HZ LYS 7 2HZ LYS 7 -11.414 15.417 4.729 60 3HZ LYS 7 3HZ LYS 7 -12.021 13.982 5.408 61 H ALA 8 H ALA 8 -7.082 13.466 7.208 62 HA ALA 8 HA ALA 8 -4.467 12.269 7.865 63 1HB ALA 8 1HB ALA 8 -5.208 14.501 8.783 64 2HB ALA 8 2HB ALA 8 -4.695 13.340 10.006 65 3HB ALA 8 3HB ALA 8 -6.412 13.634 9.735 66 H TYR 9 H TYR 9 -4.177 10.482 9.139 67 HA TYR 9 HA TYR 9 -6.447 9.202 10.490 68 1HB TYR 9 2HB TYR 9 -6.409 8.456 8.001 69 2HB TYR 9 1HB TYR 9 -4.949 7.569 8.438 70 HD1 TYR 9 1HD TYR 9 -8.586 7.824 8.885 71 HD2 TYR 9 2HD TYR 9 -5.032 5.710 10.045 72 HE1 TYR 9 1HE TYR 9 -9.978 6.017 9.858 73 HE2 TYR 9 2HE TYR 9 -6.424 3.903 11.018 74 HH TYR 9 HH TYR 9 -9.804 3.680 10.448 75 H GLY 10 H GLY 10 -5.681 7.551 11.988 76 1HA GLY 10 2HA GLY 10 -4.102 6.658 13.480 77 2HA GLY 10 1HA GLY 10 -2.963 6.690 12.133 78 H SER 11 H SER 11 -1.988 8.896 11.648 79 HA SER 11 HA SER 11 -2.111 11.019 13.566 80 1HB SER 11 2HB SER 11 -0.007 8.907 13.985 81 2HB SER 11 1HB SER 11 0.317 10.580 14.427 82 HG SER 11 HG SER 11 -0.968 8.806 15.834 83 H HIS 12 H HIS 12 -1.828 10.477 10.612 84 HA HIS 12 HA HIS 12 0.265 12.496 10.130 85 1HB HIS 12 2HB HIS 12 0.272 9.800 8.734 86 2HB HIS 12 1HB HIS 12 1.363 11.142 8.401 87 HD1 HIS 12 1HD HIS 12 3.413 11.356 9.851 88 HD2 HIS 12 2HD HIS 12 0.648 8.660 11.420 89 HE1 HIS 12 1HE HIS 12 4.545 10.233 11.820 90 H CYS 13 H CYS 13 0.015 13.472 7.992 91 HA CYS 13 HA CYS 13 -2.780 13.358 7.066 92 1HB CYS 13 2HB CYS 13 -1.151 15.459 7.325 93 2HB CYS 13 1HB CYS 13 -0.722 15.019 5.673 94 H TYR 14 H TYR 14 -3.410 12.133 5.345 95 HA TYR 14 HA TYR 14 -1.287 10.801 3.763 96 1HB TYR 14 2HB TYR 14 -4.242 10.233 4.067 97 2HB TYR 14 1HB TYR 14 -3.173 9.331 2.993 98 HD1 TYR 14 1HD TYR 14 -3.328 10.508 6.555 99 HD2 TYR 14 2HD TYR 14 -2.124 7.416 3.828 100 HE1 TYR 14 1HE TYR 14 -2.580 9.119 8.460 101 HE2 TYR 14 2HE TYR 14 -1.378 6.026 5.742 102 HH TYR 14 HH TYR 14 -2.266 6.186 8.585 103 H ALA 15 H ALA 15 -1.496 10.650 1.430 104 HA ALA 15 HA ALA 15 -3.322 12.567 0.119 105 1HB ALA 15 1HB ALA 15 -1.492 14.047 0.503 106 2HB ALA 15 2HB ALA 15 -1.307 13.509 -1.167 107 3HB ALA 15 3HB ALA 15 -0.306 12.804 0.101 108 H LEU 16 H LEU 16 -4.018 11.687 -1.761 109 HA LEU 16 HA LEU 16 -2.709 9.209 -2.726 110 1HB LEU 16 2HB LEU 16 -5.048 8.942 -2.523 111 2HB LEU 16 1HB LEU 16 -5.379 10.541 -3.182 112 HG LEU 16 HG LEU 16 -4.588 9.782 -5.401 113 1HD1 LEU 16 1HD1 LEU 16 -4.121 7.220 -3.876 114 2HD1 LEU 16 2HD1 LEU 16 -3.005 8.084 -4.931 115 3HD1 LEU 16 3HD1 LEU 16 -4.372 7.213 -5.620 116 1HD2 LEU 16 1HD2 LEU 16 -6.743 8.170 -4.026 117 2HD2 LEU 16 2HD2 LEU 16 -6.444 8.058 -5.760 118 3HD2 LEU 16 3HD2 LEU 16 -6.941 9.593 -5.048 119 H PHE 17 H PHE 17 -1.515 9.161 -4.597 120 HA PHE 17 HA PHE 17 -1.538 11.593 -6.330 121 1HB PHE 17 2HB PHE 17 0.718 9.752 -5.500 122 2HB PHE 17 1HB PHE 17 0.841 10.807 -6.908 123 HD1 PHE 17 1HD PHE 17 0.554 10.686 -3.233 124 HD2 PHE 17 2HD PHE 17 0.955 13.228 -6.672 125 HE1 PHE 17 1HE PHE 17 1.126 12.595 -1.755 126 HE2 PHE 17 2HE PHE 17 1.527 15.136 -5.195 127 HZ PHE 17 HZ PHE 17 1.612 14.819 -2.737 128 H LEU 18 H LEU 18 -2.390 11.123 -8.281 129 HA LEU 18 HA LEU 18 -2.889 8.381 -9.091 130 1HB LEU 18 2HB LEU 18 -3.088 10.807 -10.885 131 2HB LEU 18 1HB LEU 18 -4.023 9.314 -10.961 132 HG LEU 18 HG LEU 18 -4.226 11.530 -8.916 133 1HD1 LEU 18 1HD1 LEU 18 -6.517 11.640 -9.640 134 2HD1 LEU 18 2HD1 LEU 18 -6.358 10.145 -10.560 135 3HD1 LEU 18 3HD1 LEU 18 -5.524 11.602 -11.097 136 1HD2 LEU 18 1HD2 LEU 18 -4.281 9.565 -7.575 137 2HD2 LEU 18 2HD2 LEU 18 -5.187 8.667 -8.788 138 3HD2 LEU 18 3HD2 LEU 18 -5.975 9.951 -7.873 139 H SER 19 H SER 19 -0.112 9.761 -8.770 140 HA SER 19 HA SER 19 0.952 9.304 -11.497 141 1HB SER 19 2HB SER 19 3.036 9.765 -9.583 142 2HB SER 19 1HB SER 19 2.511 10.788 -10.917 143 HG SER 19 HG SER 19 2.082 11.070 -8.275 144 HA PRO 20 HA PRO 20 1.868 5.048 -10.327 145 1HB PRO 20 2HB PRO 20 3.403 4.764 -12.736 146 2HB PRO 20 1HB PRO 20 1.768 4.181 -12.413 147 1HG PRO 20 2HG PRO 20 2.553 6.317 -14.145 148 2HG PRO 20 1HG PRO 20 0.917 5.762 -13.787 149 1HD PRO 20 2HD PRO 20 2.224 8.190 -12.918 150 2HD PRO 20 1HD PRO 20 0.540 7.671 -12.641 151 H LYS 21 H LYS 21 3.726 4.003 -9.428 152 HA LYS 21 HA LYS 21 6.420 4.968 -10.028 153 1HB LYS 21 2HB LYS 21 5.005 5.801 -7.517 154 2HB LYS 21 1HB LYS 21 6.721 5.419 -7.418 155 1HG LYS 21 2HG LYS 21 6.990 7.016 -9.447 156 2HG LYS 21 1HG LYS 21 5.374 7.586 -9.031 157 1HD LYS 21 2HD LYS 21 6.244 7.927 -6.659 158 2HD LYS 21 1HD LYS 21 7.861 7.661 -7.312 159 1HE LYS 21 2HE LYS 21 7.558 10.020 -7.365 160 2HE LYS 21 1HE LYS 21 7.295 9.489 -9.025 161 1HZ LYS 21 1HZ LYS 21 5.478 10.816 -8.665 162 2HZ LYS 21 2HZ LYS 21 5.334 10.385 -7.028 163 3HZ LYS 21 3HZ LYS 21 4.846 9.299 -8.240 164 H SER 22 H SER 22 7.759 3.218 -9.809 165 HA SER 22 HA SER 22 7.021 0.640 -9.130 166 1HB SER 22 2HB SER 22 9.200 0.867 -9.991 167 2HB SER 22 1HB SER 22 9.641 2.088 -8.801 168 HG SER 22 HG SER 22 8.890 -0.108 -7.513 169 H TRP 23 H TRP 23 7.152 -0.630 -7.143 170 HA TRP 23 HA TRP 23 6.074 0.616 -4.845 171 1HB TRP 23 2HB TRP 23 6.016 -1.825 -5.152 172 2HB TRP 23 1HB TRP 23 7.771 -1.898 -5.001 173 HD1 TRP 23 HD TRP 23 4.618 -1.764 -2.986 174 HE1 TRP 23 1HE TRP 23 5.184 -1.771 -0.471 175 HE3 TRP 23 3HE TRP 23 9.665 -1.023 -3.217 176 HZ2 TRP 23 2HZ TRP 23 7.475 -1.499 1.218 177 HZ3 TRP 23 3HZ TRP 23 11.014 -0.901 -1.142 178 HH2 TRP 23 HH TRP 23 9.926 -1.138 1.074 179 H THR 24 H THR 24 9.306 0.432 -6.030 180 HA THR 24 HA THR 24 10.495 1.283 -3.460 181 HB THR 24 HB THR 24 11.587 -0.360 -5.075 182 HG1 THR 24 1HG THR 24 12.975 2.012 -4.375 183 1HG2 THR 24 1HG2 THR 24 12.276 0.286 -7.153 184 2HG2 THR 24 2HG2 THR 24 12.682 1.916 -6.619 185 3HG2 THR 24 3HG2 THR 24 11.009 1.500 -6.981 186 H ASP 25 H ASP 25 9.273 2.632 -6.355 187 HA ASP 25 HA ASP 25 10.754 5.166 -6.094 188 1HB ASP 25 2HB ASP 25 8.661 4.151 -8.020 189 2HB ASP 25 1HB ASP 25 9.173 5.837 -8.013 190 H ALA 26 H ALA 26 7.462 3.907 -5.598 191 HA ALA 26 HA ALA 26 6.403 6.478 -4.786 192 1HB ALA 26 1HB ALA 26 4.421 5.277 -4.287 193 2HB ALA 26 2HB ALA 26 5.306 3.779 -3.993 194 3HB ALA 26 3HB ALA 26 5.119 4.386 -5.636 195 H ASP 27 H ASP 27 8.020 3.741 -3.336 196 HA ASP 27 HA ASP 27 7.576 4.345 -0.581 197 1HB ASP 27 2HB ASP 27 8.515 2.217 -1.282 198 2HB ASP 27 1HB ASP 27 9.895 3.031 -2.017 199 H LEU 28 H LEU 28 10.040 5.426 -2.901 200 HA LEU 28 HA LEU 28 11.469 7.035 -0.954 201 1HB LEU 28 2HB LEU 28 12.204 6.098 -3.332 202 2HB LEU 28 1HB LEU 28 11.562 7.640 -3.894 203 HG LEU 28 HG LEU 28 13.699 7.260 -1.774 204 1HD1 LEU 28 1HD1 LEU 28 13.748 8.275 -4.628 205 2HD1 LEU 28 2HD1 LEU 28 14.615 6.887 -3.970 206 3HD1 LEU 28 3HD1 LEU 28 15.073 8.521 -3.492 207 1HD2 LEU 28 1HD2 LEU 28 12.209 9.680 -2.796 208 2HD2 LEU 28 2HD2 LEU 28 13.828 9.832 -2.116 209 3HD2 LEU 28 3HD2 LEU 28 12.514 9.200 -1.126 210 H ALA 29 H ALA 29 9.259 7.859 -3.657 211 HA ALA 29 HA ALA 29 9.088 10.630 -3.199 212 1HB ALA 29 1HB ALA 29 6.861 10.508 -4.264 213 2HB ALA 29 2HB ALA 29 6.863 8.757 -4.058 214 3HB ALA 29 3HB ALA 29 8.036 9.519 -5.132 215 H CYS 30 H CYS 30 6.948 8.081 -1.855 216 HA CYS 30 HA CYS 30 5.449 9.778 -0.150 217 1HB CYS 30 2HB CYS 30 6.303 6.895 0.271 218 2HB CYS 30 1HB CYS 30 5.090 7.720 1.238 219 H GLN 31 H GLN 31 8.673 8.430 0.140 220 HA GLN 31 HA GLN 31 8.979 9.145 2.948 221 1HB GLN 31 2HB GLN 31 10.283 7.318 1.733 222 2HB GLN 31 1HB GLN 31 11.197 8.614 0.960 223 1HG GLN 31 2HG GLN 31 11.972 9.434 3.098 224 2HG GLN 31 1HG GLN 31 10.913 8.320 3.962 225 1HE2 GLN 31 1HE2 GLN 31 13.940 8.574 2.173 226 2HE2 GLN 31 2HE2 GLN 31 14.471 6.992 2.488 227 H LYS 32 H LYS 32 9.642 10.636 -0.160 228 HA LYS 32 HA LYS 32 11.370 12.706 0.567 229 1HB LYS 32 2HB LYS 32 10.247 12.165 -1.732 230 2HB LYS 32 1HB LYS 32 8.974 13.253 -1.183 231 1HG LYS 32 2HG LYS 32 10.373 14.765 -2.258 232 2HG LYS 32 1HG LYS 32 11.018 14.847 -0.620 233 1HD LYS 32 2HD LYS 32 12.980 14.505 -1.815 234 2HD LYS 32 1HD LYS 32 12.535 12.836 -1.465 235 1HE LYS 32 2HE LYS 32 11.276 12.860 -3.697 236 2HE LYS 32 1HE LYS 32 12.120 14.370 -4.039 237 1HZ LYS 32 1HZ LYS 32 13.414 12.641 -4.950 238 2HZ LYS 32 2HZ LYS 32 13.308 11.701 -3.539 239 3HZ LYS 32 3HZ LYS 32 14.222 13.132 -3.542 240 H ARG 33 H ARG 33 8.222 12.045 1.668 241 HA ARG 33 HA ARG 33 7.605 14.788 2.501 242 1HB ARG 33 2HB ARG 33 6.253 12.120 2.746 243 2HB ARG 33 1HB ARG 33 5.682 13.489 3.684 244 1HG ARG 33 2HG ARG 33 6.128 13.802 0.727 245 2HG ARG 33 1HG ARG 33 4.655 13.027 1.306 246 1HD ARG 33 2HD ARG 33 4.276 15.046 2.784 247 2HD ARG 33 1HD ARG 33 5.623 15.825 1.953 248 HE ARG 33 HE ARG 33 2.957 15.345 0.837 249 1HH1 ARG 33 1HH1 ARG 33 5.396 14.346 -0.879 250 2HH1 ARG 33 2HH1 ARG 33 5.553 15.693 -1.958 251 1HH2 ARG 33 1HH2 ARG 33 3.540 17.785 -0.061 252 2HH2 ARG 33 2HH2 ARG 33 4.502 17.641 -1.493 253 HA PRO 34 HA PRO 34 9.440 14.930 6.479 254 1HB PRO 34 2HB PRO 34 6.980 15.170 7.980 255 2HB PRO 34 1HB PRO 34 8.144 16.433 7.567 256 1HG PRO 34 2HG PRO 34 5.545 15.868 6.358 257 2HG PRO 34 1HG PRO 34 6.569 17.296 6.176 258 1HD PRO 34 2HD PRO 34 6.119 15.403 4.183 259 2HD PRO 34 1HD PRO 34 7.509 16.511 4.223 260 H SER 35 H SER 35 9.903 12.586 6.125 261 HA SER 35 HA SER 35 10.103 10.467 7.076 262 1HB SER 35 2HB SER 35 9.520 11.934 9.219 263 2HB SER 35 1HB SER 35 8.003 11.044 9.130 264 HG SER 35 HG SER 35 9.294 9.748 10.296 265 H GLY 36 H GLY 36 7.692 11.541 5.332 266 1HA GLY 36 2HA GLY 36 5.517 9.768 5.871 267 2HA GLY 36 1HA GLY 36 5.836 10.518 4.309 268 H ASN 37 H ASN 37 4.941 8.214 3.803 269 HA ASN 37 HA ASN 37 6.882 6.655 2.500 270 1HB ASN 37 2HB ASN 37 6.604 4.628 4.282 271 2HB ASN 37 1HB ASN 37 7.958 5.751 4.336 272 1HD2 ASN 37 1HD2 ASN 37 8.117 5.512 6.695 273 2HD2 ASN 37 2HD2 ASN 37 6.977 6.235 7.722 274 H LEU 38 H LEU 38 5.806 5.081 1.254 275 HA LEU 38 HA LEU 38 3.284 5.122 0.477 276 1HB LEU 38 2HB LEU 38 4.782 2.629 1.262 277 2HB LEU 38 1HB LEU 38 3.248 2.579 0.392 278 HG LEU 38 HG LEU 38 5.527 4.283 -0.582 279 1HD1 LEU 38 1HD1 LEU 38 6.375 1.959 -0.332 280 2HD1 LEU 38 2HD1 LEU 38 6.252 2.439 -2.023 281 3HD1 LEU 38 3HD1 LEU 38 5.030 1.382 -1.315 282 1HD2 LEU 38 1HD2 LEU 38 4.127 4.713 -2.270 283 2HD2 LEU 38 2HD2 LEU 38 2.868 3.844 -1.404 284 3HD2 LEU 38 3HD2 LEU 38 3.873 2.996 -2.574 285 H VAL 39 H VAL 39 1.232 4.880 1.208 286 HA VAL 39 HA VAL 39 0.415 5.217 3.783 287 HB VAL 39 HB VAL 39 -1.209 5.251 2.053 288 1HG1 VAL 39 1HG1 VAL 39 -0.144 3.633 0.548 289 2HG1 VAL 39 2HG1 VAL 39 -1.835 3.200 0.800 290 3HG1 VAL 39 3HG1 VAL 39 -0.562 2.317 1.644 291 1HG2 VAL 39 1HG2 VAL 39 -2.989 4.093 3.064 292 2HG2 VAL 39 2HG2 VAL 39 -1.839 4.266 4.387 293 3HG2 VAL 39 3HG2 VAL 39 -1.969 2.733 3.527 294 H SER 40 H SER 40 -0.161 3.957 5.555 295 HA SER 40 HA SER 40 1.088 1.242 5.662 296 1HB SER 40 2HB SER 40 0.644 1.749 8.235 297 2HB SER 40 1HB SER 40 2.045 2.432 7.417 298 HG SER 40 HG SER 40 0.728 4.299 7.009 299 H VAL 41 H VAL 41 -0.195 -0.154 7.462 300 HA VAL 41 HA VAL 41 -3.066 0.290 7.553 301 HB VAL 41 HB VAL 41 -2.887 -2.284 6.284 302 1HG1 VAL 41 1HG1 VAL 41 -4.378 -1.157 4.611 303 2HG1 VAL 41 2HG1 VAL 41 -4.073 0.369 5.442 304 3HG1 VAL 41 3HG1 VAL 41 -4.894 -0.946 6.284 305 1HG2 VAL 41 1HG2 VAL 41 -0.758 -1.161 5.304 306 2HG2 VAL 41 2HG2 VAL 41 -1.883 -0.116 4.438 307 3HG2 VAL 41 3HG2 VAL 41 -1.917 -1.858 4.176 308 H LEU 42 H LEU 42 -2.640 -0.019 9.814 309 HA LEU 42 HA LEU 42 -1.902 -2.824 10.571 310 1HB LEU 42 2HB LEU 42 -1.561 -0.225 12.079 311 2HB LEU 42 1HB LEU 42 -1.329 -1.812 12.812 312 HG LEU 42 HG LEU 42 0.107 -1.038 10.277 313 1HD1 LEU 42 1HD1 LEU 42 0.757 0.684 11.817 314 2HD1 LEU 42 2HD1 LEU 42 2.055 -0.510 11.836 315 3HD1 LEU 42 3HD1 LEU 42 0.879 -0.465 13.148 316 1HD2 LEU 42 1HD2 LEU 42 1.142 -2.840 12.444 317 2HD2 LEU 42 2HD2 LEU 42 1.436 -2.897 10.711 318 3HD2 LEU 42 3HD2 LEU 42 -0.102 -3.455 11.358 319 H SER 43 H SER 43 -4.614 -1.253 10.024 320 HA SER 43 HA SER 43 -6.008 -2.601 12.276 321 1HB SER 43 2HB SER 43 -7.252 -0.677 12.915 322 2HB SER 43 1HB SER 43 -5.583 -0.126 12.807 323 HG SER 43 HG SER 43 -7.759 0.343 11.100 324 H GLY 44 H GLY 44 -8.142 -3.233 11.749 325 1HA GLY 44 2HA GLY 44 -8.671 -3.708 8.971 326 2HA GLY 44 1HA GLY 44 -9.830 -3.944 10.280 327 H ALA 45 H ALA 45 -9.231 -1.006 11.021 328 HA ALA 45 HA ALA 45 -11.406 0.112 9.393 329 1HB ALA 45 1HB ALA 45 -9.740 1.230 11.665 330 2HB ALA 45 2HB ALA 45 -11.408 0.662 11.747 331 3HB ALA 45 3HB ALA 45 -11.022 2.135 10.858 332 H GLU 46 H GLU 46 -7.913 0.494 9.766 333 HA GLU 46 HA GLU 46 -7.692 2.816 8.064 334 1HB GLU 46 2HB GLU 46 -5.932 2.046 9.698 335 2HB GLU 46 1HB GLU 46 -5.586 0.703 8.610 336 1HG GLU 46 2HG GLU 46 -4.909 2.193 6.849 337 2HG GLU 46 1HG GLU 46 -5.497 3.600 7.737 338 H GLY 47 H GLY 47 -7.367 -0.689 7.513 339 1HA GLY 47 2HA GLY 47 -6.611 -0.554 4.773 340 2HA GLY 47 1HA GLY 47 -7.469 -1.912 5.508 341 H SER 48 H SER 48 -9.720 -0.200 6.363 342 HA SER 48 HA SER 48 -11.203 -0.242 3.821 343 1HB SER 48 2HB SER 48 -13.129 -0.198 5.123 344 2HB SER 48 1HB SER 48 -12.001 -0.934 6.258 345 HG SER 48 HG SER 48 -13.270 1.464 6.366 346 H PHE 49 H PHE 49 -9.835 2.084 6.062 347 HA PHE 49 HA PHE 49 -11.200 4.397 4.997 348 1HB PHE 49 2HB PHE 49 -9.959 4.188 7.246 349 2HB PHE 49 1HB PHE 49 -8.478 4.422 6.317 350 HD1 PHE 49 1HD PHE 49 -11.753 5.955 7.190 351 HD2 PHE 49 2HD PHE 49 -7.857 6.574 5.487 352 HE1 PHE 49 1HE PHE 49 -12.146 8.404 7.177 353 HE2 PHE 49 2HE PHE 49 -8.250 9.022 5.476 354 HZ PHE 49 HZ PHE 49 -10.395 9.937 6.321 355 H VAL 50 H VAL 50 -7.920 3.054 4.476 356 HA VAL 50 HA VAL 50 -7.153 4.953 2.486 357 HB VAL 50 HB VAL 50 -6.267 2.058 2.682 358 1HG1 VAL 50 1HG1 VAL 50 -5.644 3.351 0.614 359 2HG1 VAL 50 2HG1 VAL 50 -4.259 2.837 1.575 360 3HG1 VAL 50 3HG1 VAL 50 -4.813 4.509 1.651 361 1HG2 VAL 50 1HG2 VAL 50 -6.101 3.378 4.840 362 2HG2 VAL 50 2HG2 VAL 50 -5.039 4.500 3.996 363 3HG2 VAL 50 3HG2 VAL 50 -4.553 2.819 4.208 364 H SER 51 H SER 51 -8.897 1.877 2.299 365 HA SER 51 HA SER 51 -8.923 1.579 -0.522 366 1HB SER 51 2HB SER 51 -9.782 -0.272 0.624 367 2HB SER 51 1HB SER 51 -10.762 0.725 1.696 368 HG SER 51 HG SER 51 -12.318 0.601 0.300 369 H SER 52 H SER 52 -11.069 3.427 1.632 370 HA SER 52 HA SER 52 -12.825 4.308 -0.491 371 1HB SER 52 2HB SER 52 -12.312 5.364 2.300 372 2HB SER 52 1HB SER 52 -13.537 6.027 1.224 373 HG SER 52 HG SER 52 -13.424 3.575 2.546 374 H LEU 53 H LEU 53 -9.733 5.359 0.692 375 HA LEU 53 HA LEU 53 -9.909 8.053 -0.413 376 1HB LEU 53 2HB LEU 53 -8.390 7.886 1.373 377 2HB LEU 53 1HB LEU 53 -7.742 6.354 0.801 378 HG LEU 53 HG LEU 53 -6.725 7.570 -1.149 379 1HD1 LEU 53 1HD1 LEU 53 -6.583 10.038 -1.000 380 2HD1 LEU 53 2HD1 LEU 53 -7.626 10.011 0.422 381 3HD1 LEU 53 3HD1 LEU 53 -8.261 9.514 -1.145 382 1HD2 LEU 53 1HD2 LEU 53 -5.899 8.742 1.521 383 2HD2 LEU 53 2HD2 LEU 53 -4.875 8.447 0.114 384 3HD2 LEU 53 3HD2 LEU 53 -5.524 7.089 1.033 385 H VAL 54 H VAL 54 -8.994 4.891 -1.568 386 HA VAL 54 HA VAL 54 -8.110 6.137 -4.143 387 HB VAL 54 HB VAL 54 -6.628 4.245 -4.457 388 1HG1 VAL 54 1HG1 VAL 54 -6.267 5.129 -1.591 389 2HG1 VAL 54 2HG1 VAL 54 -6.011 6.235 -2.940 390 3HG1 VAL 54 3HG1 VAL 54 -5.023 4.783 -2.793 391 1HG2 VAL 54 1HG2 VAL 54 -6.386 2.642 -2.447 392 2HG2 VAL 54 2HG2 VAL 54 -7.795 2.413 -3.483 393 3HG2 VAL 54 3HG2 VAL 54 -7.962 3.243 -1.936 394 H LYS 55 H LYS 55 -10.804 4.980 -3.034 395 HA LYS 55 HA LYS 55 -11.260 2.815 -5.002 396 1HB LYS 55 2HB LYS 55 -12.307 2.403 -2.902 397 2HB LYS 55 1HB LYS 55 -12.951 4.042 -2.815 398 1HG LYS 55 2HG LYS 55 -14.579 3.623 -4.470 399 2HG LYS 55 1HG LYS 55 -13.737 2.190 -5.061 400 1HD LYS 55 2HD LYS 55 -15.687 1.507 -3.757 401 2HD LYS 55 1HD LYS 55 -14.217 1.055 -2.894 402 1HE LYS 55 2HE LYS 55 -14.436 2.848 -1.356 403 2HE LYS 55 1HE LYS 55 -15.620 3.677 -2.366 404 1HZ LYS 55 1HZ LYS 55 -16.343 0.991 -1.561 405 2HZ LYS 55 2HZ LYS 55 -17.286 2.403 -1.614 406 3HZ LYS 55 3HZ LYS 55 -16.253 2.116 -0.295 407 H SER 56 H SER 56 -11.324 6.160 -5.001 408 HA SER 56 HA SER 56 -13.407 6.223 -7.157 409 1HB SER 56 2HB SER 56 -13.490 8.712 -6.592 410 2HB SER 56 1HB SER 56 -14.148 7.627 -5.371 411 HG SER 56 HG SER 56 -12.599 9.322 -4.673 412 H ILE 57 H ILE 57 -10.375 5.700 -7.183 413 HA ILE 57 HA ILE 57 -9.049 7.920 -8.353 414 HB ILE 57 HB ILE 57 -7.864 5.949 -7.532 415 1HG1 ILE 57 2HG1 ILE 57 -7.518 6.133 -10.533 416 2HG1 ILE 57 1HG1 ILE 57 -6.921 7.353 -9.410 417 1HG2 ILE 57 1HG2 ILE 57 -8.786 4.371 -9.921 418 2HG2 ILE 57 2HG2 ILE 57 -9.789 4.412 -8.470 419 3HG2 ILE 57 3HG2 ILE 57 -8.140 3.793 -8.385 420 1HD1 ILE 57 1HD1 ILE 57 -5.275 5.488 -10.102 421 2HD1 ILE 57 2HD1 ILE 57 -6.236 4.435 -9.063 422 3HD1 ILE 57 3HD1 ILE 57 -5.422 5.842 -8.381 423 H GLY 58 H GLY 58 -10.516 5.083 -9.997 424 1HA GLY 58 2HA GLY 58 -12.075 6.016 -11.921 425 2HA GLY 58 1HA GLY 58 -10.545 6.652 -12.525 426 H ASN 59 H ASN 59 -12.403 4.516 -13.597 427 HA ASN 59 HA ASN 59 -11.451 1.925 -13.353 428 1HB ASN 59 2HB ASN 59 -12.185 1.572 -15.691 429 2HB ASN 59 1HB ASN 59 -13.363 2.516 -14.778 430 1HD2 ASN 59 1HD2 ASN 59 -10.928 2.695 -17.344 431 2HD2 ASN 59 2HD2 ASN 59 -11.358 4.245 -17.886 432 H SER 60 H SER 60 -9.895 4.645 -14.922 433 HA SER 60 HA SER 60 -7.997 3.203 -16.496 434 1HB SER 60 2HB SER 60 -7.469 5.846 -15.124 435 2HB SER 60 1HB SER 60 -6.776 5.255 -16.631 436 HG SER 60 HG SER 60 -8.396 6.540 -17.283 437 H TYR 61 H TYR 61 -8.451 2.858 -13.301 438 HA TYR 61 HA TYR 61 -5.771 1.778 -12.877 439 1HB TYR 61 2HB TYR 61 -6.769 4.151 -11.294 440 2HB TYR 61 1HB TYR 61 -5.416 3.137 -10.789 441 HD1 TYR 61 1HD TYR 61 -6.246 6.085 -12.493 442 HD2 TYR 61 2HD TYR 61 -3.642 2.680 -12.774 443 HE1 TYR 61 1HE TYR 61 -4.727 7.369 -13.973 444 HE2 TYR 61 2HE TYR 61 -2.123 3.964 -14.253 445 HH TYR 61 HH TYR 61 -1.579 6.288 -14.754 446 H SER 62 H SER 62 -6.122 -0.085 -11.790 447 HA SER 62 HA SER 62 -8.558 -0.277 -10.059 448 1HB SER 62 2HB SER 62 -7.211 -2.199 -11.918 449 2HB SER 62 1HB SER 62 -8.064 -2.839 -10.517 450 HG SER 62 HG SER 62 -9.132 -1.039 -12.443 451 H TYR 63 H TYR 63 -5.093 -0.898 -10.260 452 HA TYR 63 HA TYR 63 -5.184 -1.870 -7.433 453 1HB TYR 63 2HB TYR 63 -3.195 -2.288 -9.659 454 2HB TYR 63 1HB TYR 63 -2.815 -2.661 -7.979 455 HD1 TYR 63 1HD TYR 63 -5.623 -3.206 -10.422 456 HD2 TYR 63 2HD TYR 63 -3.198 -4.849 -7.280 457 HE1 TYR 63 1HE TYR 63 -6.806 -5.372 -10.639 458 HE2 TYR 63 2HE TYR 63 -4.379 -7.016 -7.504 459 HH TYR 63 HH TYR 63 -6.427 -7.915 -8.332 460 H VAL 64 H VAL 64 -3.388 -1.146 -6.028 461 HA VAL 64 HA VAL 64 -2.134 1.448 -6.793 462 HB VAL 64 HB VAL 64 -3.973 0.987 -4.421 463 1HG1 VAL 64 1HG1 VAL 64 -3.325 3.003 -3.473 464 2HG1 VAL 64 2HG1 VAL 64 -2.682 3.630 -4.987 465 3HG1 VAL 64 3HG1 VAL 64 -1.780 2.416 -4.078 466 1HG2 VAL 64 1HG2 VAL 64 -5.275 1.511 -6.320 467 2HG2 VAL 64 2HG2 VAL 64 -4.091 2.675 -6.916 468 3HG2 VAL 64 3HG2 VAL 64 -5.065 3.057 -5.501 469 H TRP 65 H TRP 65 -0.140 1.760 -5.740 470 HA TRP 65 HA TRP 65 1.015 -0.597 -4.465 471 1HB TRP 65 2HB TRP 65 1.979 1.996 -5.496 472 2HB TRP 65 1HB TRP 65 2.870 1.407 -4.103 473 HD1 TRP 65 HD TRP 65 3.710 1.622 -7.292 474 HE1 TRP 65 1HE TRP 65 4.843 -0.435 -8.336 475 HE3 TRP 65 3HE TRP 65 2.245 -1.999 -3.977 476 HZ2 TRP 65 2HZ TRP 65 5.076 -3.223 -7.861 477 HZ3 TRP 65 3HZ TRP 65 2.945 -4.345 -4.318 478 HH2 TRP 65 HH TRP 65 4.360 -4.963 -6.250 479 H ILE 66 H ILE 66 1.768 -0.730 -2.267 480 HA ILE 66 HA ILE 66 1.030 1.565 -0.502 481 HB ILE 66 HB ILE 66 0.222 -0.101 1.220 482 1HG1 ILE 66 2HG1 ILE 66 0.286 -1.953 -1.178 483 2HG1 ILE 66 1HG1 ILE 66 1.225 -2.130 0.304 484 1HG2 ILE 66 1HG2 ILE 66 -1.258 1.259 -0.363 485 2HG2 ILE 66 2HG2 ILE 66 -1.994 -0.185 0.332 486 3HG2 ILE 66 3HG2 ILE 66 -1.402 -0.209 -1.327 487 1HD1 ILE 66 1HD1 ILE 66 -0.655 -3.587 0.558 488 2HD1 ILE 66 2HD1 ILE 66 -1.775 -2.357 -0.031 489 3HD1 ILE 66 3HD1 ILE 66 -1.011 -2.171 1.548 490 H GLY 67 H GLY 67 2.035 0.981 1.815 491 1HA GLY 67 2HA GLY 67 4.861 0.440 1.284 492 2HA GLY 67 1HA GLY 67 4.185 1.044 2.796 493 H LEU 68 H LEU 68 3.819 -1.921 0.823 494 HA LEU 68 HA LEU 68 4.450 -3.469 3.299 495 1HB LEU 68 2HB LEU 68 1.937 -3.408 2.519 496 2HB LEU 68 1HB LEU 68 2.493 -4.529 1.286 497 HG LEU 68 HG LEU 68 1.846 -5.999 2.978 498 1HD1 LEU 68 1HD1 LEU 68 4.693 -5.415 3.833 499 2HD1 LEU 68 2HD1 LEU 68 4.264 -6.368 2.413 500 3HD1 LEU 68 3HD1 LEU 68 3.817 -6.926 4.019 501 1HD2 LEU 68 1HD2 LEU 68 2.628 -5.426 5.437 502 2HD2 LEU 68 2HD2 LEU 68 1.178 -4.696 4.754 503 3HD2 LEU 68 3HD2 LEU 68 2.684 -3.781 4.803 504 H HIS 69 H HIS 69 6.113 -4.891 2.946 505 HA HIS 69 HA HIS 69 6.547 -5.840 0.158 506 1HB HIS 69 2HB HIS 69 8.879 -5.417 0.228 507 2HB HIS 69 1HB HIS 69 8.118 -3.936 0.806 508 HD1 HIS 69 1HD HIS 69 10.588 -6.441 1.746 509 HD2 HIS 69 2HD HIS 69 8.077 -3.818 3.777 510 HE1 HIS 69 1HE HIS 69 11.502 -6.255 4.101 511 H ASP 70 H ASP 70 8.449 -7.554 0.345 512 HA ASP 70 HA ASP 70 7.561 -9.497 2.435 513 1HB ASP 70 2HB ASP 70 7.159 -10.066 0.001 514 2HB ASP 70 1HB ASP 70 8.911 -10.125 -0.197 515 HA PRO 71 HA PRO 71 11.908 -8.474 3.582 516 1HB PRO 71 2HB PRO 71 11.312 -9.582 6.175 517 2HB PRO 71 1HB PRO 71 11.576 -7.891 5.744 518 1HG PRO 71 2HG PRO 71 9.128 -9.110 6.508 519 2HG PRO 71 1HG PRO 71 9.381 -7.457 5.944 520 1HD PRO 71 2HD PRO 71 8.143 -9.679 4.534 521 2HD PRO 71 1HD PRO 71 8.227 -7.967 4.056 522 H THR 72 H THR 72 10.263 -11.289 3.010 523 HA THR 72 HA THR 72 12.510 -13.047 3.899 524 HB THR 72 HB THR 72 11.002 -14.845 3.889 525 HG1 THR 72 1HG THR 72 9.697 -15.020 2.279 526 1HG2 THR 72 1HG2 THR 72 10.434 -13.105 5.604 527 2HG2 THR 72 2HG2 THR 72 9.058 -14.103 5.133 528 3HG2 THR 72 3HG2 THR 72 9.222 -12.469 4.490 529 H GLN 73 H GLN 73 11.118 -11.549 1.143 530 HA GLN 73 HA GLN 73 11.474 -11.853 -1.166 531 1HB GLN 73 2HB GLN 73 14.141 -12.649 0.033 532 2HB GLN 73 1HB GLN 73 13.883 -12.432 -1.699 533 1HG GLN 73 2HG GLN 73 13.058 -10.108 -1.222 534 2HG GLN 73 1HG GLN 73 13.518 -10.342 0.465 535 1HE2 GLN 73 1HE2 GLN 73 15.963 -11.424 0.496 536 2HE2 GLN 73 2HE2 GLN 73 17.083 -10.543 -0.428 537 H GLY 74 H GLY 74 10.479 -14.211 0.465 538 1HA GLY 74 2HA GLY 74 9.809 -16.393 -0.111 539 2HA GLY 74 1HA GLY 74 10.588 -16.160 -1.678 540 H THR 75 H THR 75 11.428 -16.682 1.760 541 HA THR 75 HA THR 75 13.397 -18.714 0.928 542 HB THR 75 HB THR 75 15.181 -17.580 2.348 543 HG1 THR 75 1HG THR 75 14.775 -15.673 3.134 544 1HG2 THR 75 1HG2 THR 75 15.064 -17.555 -0.188 545 2HG2 THR 75 2HG2 THR 75 15.956 -16.217 0.535 546 3HG2 THR 75 3HG2 THR 75 14.314 -15.965 -0.058 547 H GLU 76 H GLU 76 11.844 -16.893 3.550 548 HA GLU 76 HA GLU 76 12.597 -18.389 5.770 549 1HB GLU 76 2HB GLU 76 10.038 -17.020 5.005 550 2HB GLU 76 1HB GLU 76 10.078 -17.984 6.479 551 1HG GLU 76 2HG GLU 76 12.152 -15.868 5.879 552 2HG GLU 76 1HG GLU 76 10.658 -15.505 6.743 553 HA PRO 77 HA PRO 77 11.263 -22.550 5.122 554 1HB PRO 77 2HB PRO 77 10.039 -22.848 7.711 555 2HB PRO 77 1HB PRO 77 11.622 -23.419 7.179 556 1HG PRO 77 2HG PRO 77 11.007 -21.204 8.931 557 2HG PRO 77 1HG PRO 77 12.591 -21.857 8.499 558 1HD PRO 77 2HD PRO 77 11.493 -19.361 7.671 559 2HD PRO 77 1HD PRO 77 12.988 -20.124 7.072 560 H ASN 78 H ASN 78 9.133 -20.042 5.338 561 HA ASN 78 HA ASN 78 6.920 -21.698 4.352 562 1HB ASN 78 2HB ASN 78 6.583 -20.046 6.875 563 2HB ASN 78 1HB ASN 78 5.301 -20.914 6.030 564 1HD2 ASN 78 1HD2 ASN 78 7.844 -21.240 8.360 565 2HD2 ASN 78 2HD2 ASN 78 7.720 -22.920 8.575 566 H GLY 79 H GLY 79 8.199 -18.526 5.227 567 1HA GLY 79 2HA GLY 79 8.093 -16.568 3.865 568 2HA GLY 79 1HA GLY 79 6.932 -17.389 2.820 569 H GLU 80 H GLU 80 7.260 -15.841 6.006 570 HA GLU 80 HA GLU 80 4.466 -14.887 5.738 571 1HB GLU 80 2HB GLU 80 5.520 -16.648 7.946 572 2HB GLU 80 1HB GLU 80 4.180 -15.539 8.240 573 1HG GLU 80 2HG GLU 80 2.944 -16.563 6.343 574 2HG GLU 80 1HG GLU 80 4.267 -17.708 6.123 575 H GLY 81 H GLY 81 7.022 -13.528 5.556 576 1HA GLY 81 2HA GLY 81 7.429 -12.128 8.100 577 2HA GLY 81 1HA GLY 81 8.246 -11.770 6.577 578 H TRP 82 H TRP 82 6.745 -10.806 4.853 579 HA TRP 82 HA TRP 82 5.540 -8.873 4.261 580 1HB TRP 82 2HB TRP 82 3.499 -9.752 6.290 581 2HB TRP 82 1HB TRP 82 3.243 -9.082 4.680 582 HD1 TRP 82 HD TRP 82 5.517 -11.160 3.411 583 HE1 TRP 82 1HE TRP 82 4.726 -13.563 2.918 584 HE3 TRP 82 3HE TRP 82 1.371 -11.351 6.388 585 HZ2 TRP 82 2HZ TRP 82 2.614 -15.333 3.686 586 HZ3 TRP 82 3HZ TRP 82 -0.009 -13.406 6.487 587 HH2 TRP 82 HH TRP 82 0.604 -15.395 5.141 588 H GLU 83 H GLU 83 6.652 -7.054 5.058 589 HA GLU 83 HA GLU 83 5.724 -6.100 7.752 590 1HB GLU 83 2HB GLU 83 8.144 -6.907 7.717 591 2HB GLU 83 1HB GLU 83 8.479 -5.562 6.623 592 1HG GLU 83 2HG GLU 83 7.371 -4.065 8.395 593 2HG GLU 83 1HG GLU 83 7.523 -5.446 9.482 594 H TRP 84 H TRP 84 5.237 -3.882 7.838 595 HA TRP 84 HA TRP 84 4.809 -2.620 5.251 596 1HB TRP 84 2HB TRP 84 4.348 -1.023 7.689 597 2HB TRP 84 1HB TRP 84 3.278 -1.313 6.318 598 HD1 TRP 84 HD TRP 84 4.648 -3.228 9.385 599 HE1 TRP 84 1HE TRP 84 2.828 -4.866 10.180 600 HE3 TRP 84 3HE TRP 84 1.098 -2.392 5.822 601 HZ2 TRP 84 2HZ TRP 84 0.207 -5.712 9.409 602 HZ3 TRP 84 3HZ TRP 84 -1.053 -3.622 5.875 603 HH2 TRP 84 HH TRP 84 -1.502 -5.280 7.663 604 H SER 85 H SER 85 6.038 -1.015 4.385 605 HA SER 85 HA SER 85 8.529 -0.327 5.791 606 1HB SER 85 2HB SER 85 8.922 -0.673 3.493 607 2HB SER 85 1HB SER 85 7.445 0.163 3.023 608 HG SER 85 HG SER 85 9.920 1.196 3.868 609 H SER 86 H SER 86 5.461 0.717 5.962 610 HA SER 86 HA SER 86 6.296 3.471 6.720 611 1HB SER 86 2HB SER 86 4.595 4.456 5.481 612 2HB SER 86 1HB SER 86 5.003 3.102 4.430 613 HG SER 86 HG SER 86 2.679 3.625 5.443 614 H SER 87 H SER 87 5.079 0.605 7.852 615 HA SER 87 HA SER 87 3.294 2.073 9.785 616 1HB SER 87 2HB SER 87 2.925 -0.856 9.459 617 2HB SER 87 1HB SER 87 1.736 0.410 9.724 618 HG SER 87 HG SER 87 3.153 0.417 7.321 619 H ASP 88 H ASP 88 5.234 -0.937 9.561 620 HA ASP 88 HA ASP 88 7.141 -0.673 11.444 621 1HB ASP 88 2HB ASP 88 4.486 -0.658 12.844 622 2HB ASP 88 1HB ASP 88 5.801 -1.551 13.599 623 H VAL 89 H VAL 89 4.965 -2.883 12.890 624 HA VAL 89 HA VAL 89 6.250 -5.130 11.389 625 HB VAL 89 HB VAL 89 5.083 -5.137 14.188 626 1HG1 VAL 89 1HG1 VAL 89 4.979 -7.348 13.321 627 2HG1 VAL 89 2HG1 VAL 89 6.475 -7.303 14.253 628 3HG1 VAL 89 3HG1 VAL 89 6.529 -7.182 12.494 629 1HG2 VAL 89 1HG2 VAL 89 7.057 -3.795 14.263 630 2HG2 VAL 89 2HG2 VAL 89 7.911 -4.859 13.146 631 3HG2 VAL 89 3HG2 VAL 89 7.563 -5.400 14.788 632 H MET 90 H MET 90 4.856 -7.103 11.217 633 HA MET 90 HA MET 90 2.334 -6.483 10.029 634 1HB MET 90 2HB MET 90 3.880 -8.567 9.731 635 2HB MET 90 1HB MET 90 2.989 -9.215 11.107 636 1HG MET 90 2HG MET 90 0.917 -8.317 9.597 637 2HG MET 90 1HG MET 90 2.070 -8.714 8.324 638 1HE MET 90 1HE MET 90 2.997 -12.335 8.913 639 2HE MET 90 2HE MET 90 3.662 -11.230 10.113 640 3HE MET 90 3HE MET 90 3.522 -10.715 8.433 641 H ASN 91 H ASN 91 1.186 -5.248 11.682 642 HA ASN 91 HA ASN 91 0.319 -6.846 14.050 643 1HB ASN 91 2HB ASN 91 1.169 -4.355 14.146 644 2HB ASN 91 1HB ASN 91 -0.457 -3.974 13.580 645 1HD2 ASN 91 1HD2 ASN 91 -1.556 -6.411 15.047 646 2HD2 ASN 91 2HD2 ASN 91 -1.608 -5.942 16.677 647 H TYR 92 H TYR 92 -0.581 -6.171 10.923 648 HA TYR 92 HA TYR 92 -3.378 -6.944 11.511 649 1HB TYR 92 2HB TYR 92 -3.375 -4.501 11.193 650 2HB TYR 92 1HB TYR 92 -2.595 -4.712 9.626 651 HD1 TYR 92 1HD TYR 92 -5.514 -6.235 11.459 652 HD2 TYR 92 2HD TYR 92 -4.027 -4.536 7.803 653 HE1 TYR 92 1HE TYR 92 -7.725 -6.578 10.400 654 HE2 TYR 92 2HE TYR 92 -6.242 -4.879 6.743 655 HH TYR 92 HH TYR 92 -9.019 -5.985 8.611 656 H PHE 93 H PHE 93 -4.407 -8.046 9.684 657 HA PHE 93 HA PHE 93 -2.528 -8.829 7.494 658 1HB PHE 93 2HB PHE 93 -3.528 -11.171 7.714 659 2HB PHE 93 1HB PHE 93 -2.410 -10.685 8.990 660 HD1 PHE 93 1HD PHE 93 -5.838 -11.592 8.176 661 HD2 PHE 93 2HD PHE 93 -3.304 -9.882 11.194 662 HE1 PHE 93 1HE PHE 93 -7.614 -11.949 9.870 663 HE2 PHE 93 2HE PHE 93 -5.080 -10.239 12.887 664 HZ PHE 93 HZ PHE 93 -7.234 -11.272 12.226 665 H ALA 94 H ALA 94 -3.553 -9.256 5.495 666 HA ALA 94 HA ALA 94 -6.390 -9.549 5.186 667 1HB ALA 94 1HB ALA 94 -5.747 -6.926 4.013 668 2HB ALA 94 2HB ALA 94 -5.700 -6.936 5.775 669 3HB ALA 94 3HB ALA 94 -7.166 -7.429 4.930 670 H TRP 95 H TRP 95 -3.709 -10.467 4.153 671 HA TRP 95 HA TRP 95 -3.329 -9.636 1.458 672 1HB TRP 95 2HB TRP 95 -2.709 -12.201 2.929 673 2HB TRP 95 1HB TRP 95 -2.329 -12.008 1.218 674 HD1 TRP 95 HD TRP 95 -1.447 -10.594 4.664 675 HE1 TRP 95 1HE TRP 95 0.797 -9.336 4.488 676 HE3 TRP 95 3HE TRP 95 -0.722 -10.787 -0.388 677 HZ2 TRP 95 2HZ TRP 95 2.655 -8.521 2.470 678 HZ3 TRP 95 3HZ TRP 95 1.292 -9.764 -1.408 679 HH2 TRP 95 HH TRP 95 2.980 -8.634 0.013 680 H GLU 96 H GLU 96 -3.979 -10.743 -0.518 681 HA GLU 96 HA GLU 96 -6.770 -11.545 -0.476 682 1HB GLU 96 2HB GLU 96 -5.963 -10.330 -2.402 683 2HB GLU 96 1HB GLU 96 -4.678 -11.505 -2.670 684 1HG GLU 96 2HG GLU 96 -6.672 -11.770 -4.203 685 2HG GLU 96 1HG GLU 96 -6.268 -13.217 -3.280 686 H ARG 97 H ARG 97 -3.681 -13.239 -1.014 687 HA ARG 97 HA ARG 97 -5.008 -15.771 -0.234 688 1HB ARG 97 2HB ARG 97 -5.259 -15.780 -2.657 689 2HB ARG 97 1HB ARG 97 -3.557 -15.367 -2.868 690 1HG ARG 97 2HG ARG 97 -2.845 -17.483 -1.983 691 2HG ARG 97 1HG ARG 97 -4.477 -17.872 -1.440 692 1HD ARG 97 2HD ARG 97 -3.681 -18.963 -3.636 693 2HD ARG 97 1HD ARG 97 -5.263 -18.184 -3.655 694 HE ARG 97 HE ARG 97 -2.832 -17.204 -5.014 695 1HH1 ARG 97 1HH2 ARG 97 -6.029 -17.488 -5.506 696 2HH1 ARG 97 2HH2 ARG 97 -6.346 -15.835 -5.915 697 1HH2 ARG 97 1HH1 ARG 97 -3.242 -14.701 -4.867 698 2HH2 ARG 97 2HH1 ARG 97 -4.769 -14.257 -5.553 699 H ASN 98 H ASN 98 -3.484 -17.351 0.517 700 HA ASN 98 HA ASN 98 -1.215 -16.356 1.869 701 1HB ASN 98 2HB ASN 98 -1.890 -19.160 0.956 702 2HB ASN 98 1HB ASN 98 -0.536 -18.784 2.024 703 1HD2 ASN 98 1HD2 ASN 98 -2.318 -20.400 3.231 704 2HD2 ASN 98 2HD2 ASN 98 -3.334 -19.556 4.298 705 HA PRO 99 HA PRO 99 1.312 -15.892 -1.879 706 1HB PRO 99 2HB PRO 99 3.552 -15.166 -0.221 707 2HB PRO 99 1HB PRO 99 2.550 -14.117 -1.229 708 1HG PRO 99 2HG PRO 99 2.606 -14.255 1.623 709 2HG PRO 99 1HG PRO 99 1.563 -13.254 0.610 710 1HD PRO 99 2HD PRO 99 0.841 -15.592 2.164 711 2HD PRO 99 1HD PRO 99 -0.223 -14.529 1.208 712 H SER 100 H SER 100 2.217 -17.699 1.013 713 HA SER 100 HA SER 100 4.505 -19.036 -0.092 714 1HB SER 100 2HB SER 100 4.420 -20.418 1.816 715 2HB SER 100 1HB SER 100 3.699 -18.911 2.372 716 HG SER 100 HG SER 100 2.363 -20.599 2.968 717 H THR 101 H THR 101 1.309 -19.187 -1.040 718 HA THR 101 HA THR 101 1.447 -22.055 -1.831 719 HB THR 101 HB THR 101 -0.930 -21.793 -2.409 720 HG1 THR 101 1HG THR 101 -0.730 -19.575 -3.041 721 1HG2 THR 101 1HG2 THR 101 -0.389 -22.346 -0.093 722 2HG2 THR 101 2HG2 THR 101 -1.779 -21.263 -0.130 723 3HG2 THR 101 3HG2 THR 101 -0.185 -20.638 0.292 724 H ILE 102 H ILE 102 2.213 -19.028 -3.071 725 HA ILE 102 HA ILE 102 1.663 -19.878 -5.885 726 HB ILE 102 HB ILE 102 2.394 -17.157 -4.762 727 1HG1 ILE 102 2HG1 ILE 102 -0.212 -18.038 -6.022 728 2HG1 ILE 102 1HG1 ILE 102 0.066 -18.132 -4.283 729 1HG2 ILE 102 1HG2 ILE 102 1.749 -16.411 -7.088 730 2HG2 ILE 102 2HG2 ILE 102 1.737 -18.111 -7.563 731 3HG2 ILE 102 3HG2 ILE 102 3.236 -17.358 -7.017 732 1HD1 ILE 102 1HD1 ILE 102 0.564 -15.714 -4.230 733 2HD1 ILE 102 2HD1 ILE 102 -1.050 -16.017 -4.870 734 3HD1 ILE 102 3HD1 ILE 102 0.272 -15.619 -5.967 735 H SER 103 H SER 103 3.401 -19.650 -7.447 736 HA SER 103 HA SER 103 5.935 -20.598 -6.479 737 1HB SER 103 2HB SER 103 5.211 -21.162 -8.724 738 2HB SER 103 1HB SER 103 5.114 -19.459 -9.166 739 HG SER 103 HG SER 103 7.301 -21.134 -8.936 740 H SER 104 H SER 104 6.749 -19.063 -4.982 741 HA SER 104 HA SER 104 7.757 -17.052 -4.274 742 1HB SER 104 2HB SER 104 9.607 -16.412 -5.643 743 2HB SER 104 1HB SER 104 9.413 -18.147 -5.871 744 HG SER 104 HG SER 104 8.749 -17.816 -7.865 745 HA PRO 105 HA PRO 105 4.643 -14.333 -6.362 746 1HB PRO 105 2HB PRO 105 4.253 -13.067 -3.806 747 2HB PRO 105 1HB PRO 105 3.137 -14.117 -4.684 748 1HG PRO 105 2HG PRO 105 4.525 -14.729 -2.288 749 2HG PRO 105 1HG PRO 105 3.551 -15.832 -3.263 750 1HD PRO 105 2HD PRO 105 6.466 -15.704 -2.998 751 2HD PRO 105 1HD PRO 105 5.468 -16.974 -3.750 752 H GLY 106 H GLY 106 4.450 -11.734 -5.832 753 1HA GLY 106 2HA GLY 106 7.102 -10.674 -6.421 754 2HA GLY 106 1HA GLY 106 5.620 -9.726 -6.268 755 H HIS 107 H HIS 107 8.207 -9.070 -5.073 756 HA HIS 107 HA HIS 107 7.819 -9.639 -2.194 757 1HB HIS 107 2HB HIS 107 9.962 -7.830 -3.288 758 2HB HIS 107 1HB HIS 107 10.008 -8.876 -1.868 759 HD1 HIS 107 1HD HIS 107 9.522 -11.586 -2.697 760 HD2 HIS 107 2HD HIS 107 11.435 -8.979 -5.309 761 HE1 HIS 107 1HE HIS 107 10.758 -13.010 -4.382 762 H CYS 108 H CYS 108 5.903 -7.944 -3.695 763 HA CYS 108 HA CYS 108 5.918 -5.669 -1.821 764 1HB CYS 108 2HB CYS 108 6.139 -5.376 -4.811 765 2HB CYS 108 1HB CYS 108 5.389 -4.122 -3.826 766 H ALA 109 H ALA 109 3.822 -5.070 -1.283 767 HA ALA 109 HA ALA 109 1.663 -6.612 -2.649 768 1HB ALA 109 1HB ALA 109 0.948 -5.244 -0.150 769 2HB ALA 109 2HB ALA 109 2.263 -6.403 0.035 770 3HB ALA 109 3HB ALA 109 0.714 -6.927 -0.620 771 H SER 110 H SER 110 -0.211 -5.612 -3.323 772 HA SER 110 HA SER 110 -0.361 -2.643 -3.221 773 1HB SER 110 2HB SER 110 -1.209 -3.780 -5.797 774 2HB SER 110 1HB SER 110 -0.186 -2.383 -5.475 775 HG SER 110 HG SER 110 0.610 -5.105 -5.282 776 H LEU 111 H LEU 111 -2.623 -1.923 -3.861 777 HA LEU 111 HA LEU 111 -4.582 -3.756 -2.650 778 1HB LEU 111 2HB LEU 111 -4.821 -0.937 -3.741 779 2HB LEU 111 1HB LEU 111 -6.148 -1.816 -2.993 780 HG LEU 111 HG LEU 111 -3.704 -1.834 -1.351 781 1HD1 LEU 111 1HD1 LEU 111 -3.984 0.548 -0.627 782 2HD1 LEU 111 2HD1 LEU 111 -5.071 0.795 -1.994 783 3HD1 LEU 111 3HD1 LEU 111 -3.379 0.394 -2.277 784 1HD2 LEU 111 1HD2 LEU 111 -6.447 -0.741 -0.694 785 2HD2 LEU 111 2HD2 LEU 111 -5.261 -1.440 0.408 786 3HD2 LEU 111 3HD2 LEU 111 -6.118 -2.473 -0.739 787 H SER 112 H SER 112 -6.513 -4.422 -3.786 788 HA SER 112 HA SER 112 -6.256 -4.372 -6.775 789 1HB SER 112 2HB SER 112 -7.488 -6.635 -5.197 790 2HB SER 112 1HB SER 112 -6.961 -6.639 -6.877 791 HG SER 112 HG SER 112 -5.000 -5.947 -5.088 792 H ARG 113 H ARG 113 -7.916 -3.166 -7.581 793 HA ARG 113 HA ARG 113 -10.211 -2.359 -6.135 794 1HB ARG 113 2HB ARG 113 -9.555 -1.268 -8.223 795 2HB ARG 113 1HB ARG 113 -9.909 -2.738 -9.129 796 1HG ARG 113 2HG ARG 113 -12.259 -2.590 -8.582 797 2HG ARG 113 1HG ARG 113 -11.964 -1.255 -7.470 798 1HD ARG 113 2HD ARG 113 -12.706 -0.142 -9.392 799 2HD ARG 113 1HD ARG 113 -10.955 -0.060 -9.571 800 HE ARG 113 HE ARG 113 -11.191 -2.091 -11.089 801 1HH1 ARG 113 1HH2 ARG 113 -14.220 -0.977 -10.125 802 2HH1 ARG 113 2HH2 ARG 113 -14.890 -0.901 -11.721 803 1HH2 ARG 113 1HH1 ARG 113 -11.876 -1.561 -13.304 804 2HH2 ARG 113 2HH1 ARG 113 -13.562 -1.230 -13.519 805 H SER 114 H SER 114 -9.626 -5.294 -7.996 806 HA SER 114 HA SER 114 -12.300 -6.219 -8.220 807 1HB SER 114 2HB SER 114 -10.675 -7.444 -9.425 808 2HB SER 114 1HB SER 114 -9.643 -7.634 -8.011 809 HG SER 114 HG SER 114 -10.847 -9.254 -7.345 810 H THR 115 H THR 115 -10.358 -5.781 -5.438 811 HA THR 115 HA THR 115 -12.232 -7.484 -3.832 812 HB THR 115 HB THR 115 -10.402 -7.680 -2.180 813 HG1 THR 115 1HG THR 115 -9.176 -5.924 -2.477 814 1HG2 THR 115 1HG2 THR 115 -9.123 -9.282 -3.380 815 2HG2 THR 115 2HG2 THR 115 -9.330 -8.419 -4.903 816 3HG2 THR 115 3HG2 THR 115 -10.696 -9.264 -4.178 817 H ALA 116 H ALA 116 -12.487 -4.628 -4.690 818 HA ALA 116 HA ALA 116 -13.183 -2.606 -3.730 819 1HB ALA 116 1HB ALA 116 -14.340 -2.737 -1.682 820 2HB ALA 116 2HB ALA 116 -13.301 -4.022 -1.070 821 3HB ALA 116 3HB ALA 116 -14.483 -4.370 -2.331 822 H PHE 117 H PHE 117 -10.305 -3.480 -3.685 823 HA PHE 117 HA PHE 117 -8.269 -2.668 -2.859 824 1HB PHE 117 2HB PHE 117 -9.925 -0.412 -1.702 825 2HB PHE 117 1HB PHE 117 -8.225 -0.370 -2.161 826 HD1 PHE 117 1HD PHE 117 -7.554 -0.363 -4.532 827 HD2 PHE 117 2HD PHE 117 -11.687 -0.278 -3.364 828 HE1 PHE 117 1HE PHE 117 -8.189 0.334 -6.827 829 HE2 PHE 117 2HE PHE 117 -12.322 0.416 -5.658 830 HZ PHE 117 HZ PHE 117 -10.573 0.722 -7.390 831 H LEU 118 H LEU 118 -10.164 -4.313 -1.119 832 HA LEU 118 HA LEU 118 -9.276 -3.434 1.581 833 1HB LEU 118 2HB LEU 118 -11.300 -5.472 0.632 834 2HB LEU 118 1HB LEU 118 -10.833 -5.305 2.324 835 HG LEU 118 HG LEU 118 -11.971 -3.076 0.609 836 1HD1 LEU 118 1HD1 LEU 118 -14.035 -3.389 1.797 837 2HD1 LEU 118 2HD1 LEU 118 -13.298 -4.566 2.887 838 3HD1 LEU 118 3HD1 LEU 118 -13.551 -4.973 1.188 839 1HD2 LEU 118 1HD2 LEU 118 -10.823 -1.911 2.245 840 2HD2 LEU 118 2HD2 LEU 118 -10.891 -3.245 3.396 841 3HD2 LEU 118 3HD2 LEU 118 -12.311 -2.233 3.134 842 H ARG 119 H ARG 119 -8.706 -5.871 -0.840 843 HA ARG 119 HA ARG 119 -7.057 -7.447 1.087 844 1HB ARG 119 2HB ARG 119 -7.975 -8.107 -1.727 845 2HB ARG 119 1HB ARG 119 -7.036 -9.176 -0.685 846 1HG ARG 119 2HG ARG 119 -9.765 -8.061 0.034 847 2HG ARG 119 1HG ARG 119 -9.498 -9.665 -0.649 848 1HD ARG 119 2HD ARG 119 -7.786 -9.891 1.362 849 2HD ARG 119 1HD ARG 119 -8.787 -8.624 2.072 850 HE ARG 119 HE ARG 119 -9.516 -11.366 1.927 851 1HH1 ARG 119 1HH2 ARG 119 -10.778 -8.658 3.108 852 2HH1 ARG 119 2HH2 ARG 119 -12.410 -8.892 2.577 853 1HH2 ARG 119 1HH1 ARG 119 -11.618 -11.495 0.427 854 2HH2 ARG 119 2HH1 ARG 119 -12.884 -10.498 1.059 855 H TRP 120 H TRP 120 -4.927 -8.246 0.155 856 HA TRP 120 HA TRP 120 -3.668 -6.090 -1.509 857 1HB TRP 120 2HB TRP 120 -2.218 -7.824 0.498 858 2HB TRP 120 1HB TRP 120 -1.671 -6.318 -0.235 859 HD1 TRP 120 HD TRP 120 -4.196 -4.523 0.206 860 HE1 TRP 120 1HE TRP 120 -4.855 -3.774 2.585 861 HE3 TRP 120 3HE TRP 120 -1.790 -8.091 2.942 862 HZ2 TRP 120 2HZ TRP 120 -4.417 -4.591 5.296 863 HZ3 TRP 120 3HZ TRP 120 -1.923 -8.086 5.415 864 HH2 TRP 120 HH TRP 120 -3.234 -6.345 6.594 865 H LYS 121 H LYS 121 -2.579 -6.755 -3.317 866 HA LYS 121 HA LYS 121 -2.245 -9.707 -3.715 867 1HB LYS 121 2HB LYS 121 -3.898 -8.480 -5.231 868 2HB LYS 121 1HB LYS 121 -2.504 -7.635 -5.903 869 1HG LYS 121 2HG LYS 121 -1.509 -9.705 -6.641 870 2HG LYS 121 1HG LYS 121 -2.724 -10.654 -5.782 871 1HD LYS 121 2HD LYS 121 -4.476 -9.537 -7.235 872 2HD LYS 121 1HD LYS 121 -3.150 -8.875 -8.194 873 1HE LYS 121 2HE LYS 121 -3.704 -11.816 -7.700 874 2HE LYS 121 1HE LYS 121 -3.946 -10.950 -9.218 875 1HZ LYS 121 1HZ LYS 121 -1.502 -11.922 -8.015 876 2HZ LYS 121 2HZ LYS 121 -1.400 -10.354 -8.663 877 3HZ LYS 121 3HZ LYS 121 -1.877 -11.653 -9.647 878 H ASP 122 H ASP 122 -0.278 -10.434 -4.515 879 HA ASP 122 HA ASP 122 1.988 -8.747 -3.943 880 1HB ASP 122 2HB ASP 122 3.301 -10.689 -4.902 881 2HB ASP 122 1HB ASP 122 2.215 -11.119 -3.580 882 H TYR 123 H TYR 123 3.514 -7.877 -5.444 883 HA TYR 123 HA TYR 123 2.957 -8.105 -8.329 884 1HB TYR 123 2HB TYR 123 2.211 -5.743 -6.700 885 2HB TYR 123 1HB TYR 123 3.110 -5.373 -8.170 886 HD1 TYR 123 1HD TYR 123 2.273 -6.269 -10.388 887 HD2 TYR 123 2HD TYR 123 -0.066 -6.425 -6.788 888 HE1 TYR 123 1HE TYR 123 0.222 -6.630 -11.735 889 HE2 TYR 123 2HE TYR 123 -2.116 -6.784 -8.136 890 HH TYR 123 HH TYR 123 -2.412 -7.871 -10.776 891 H ASN 124 H ASN 124 4.724 -7.251 -9.618 892 HA ASN 124 HA ASN 124 7.305 -7.677 -8.519 893 1HB ASN 124 2HB ASN 124 6.563 -6.015 -10.949 894 2HB ASN 124 1HB ASN 124 8.161 -6.676 -10.599 895 1HD2 ASN 124 1HD2 ASN 124 4.786 -7.991 -10.632 896 2HD2 ASN 124 2HD2 ASN 124 5.190 -9.385 -11.514 897 H CYS 125 H CYS 125 8.347 -6.440 -7.064 898 HA CYS 125 HA CYS 125 7.548 -3.970 -6.056 899 1HB CYS 125 2HB CYS 125 10.304 -5.188 -6.281 900 2HB CYS 125 1HB CYS 125 10.003 -3.685 -5.409 901 H ASN 126 H ASN 126 8.609 -4.467 -9.219 902 HA ASN 126 HA ASN 126 9.721 -1.703 -9.408 903 1HB ASN 126 2HB ASN 126 10.374 -2.456 -11.746 904 2HB ASN 126 1HB ASN 126 11.159 -3.334 -10.433 905 1HD2 ASN 126 1HD2 ASN 126 11.112 -5.563 -10.706 906 2HD2 ASN 126 2HD2 ASN 126 9.919 -6.420 -11.558 907 H VAL 127 H VAL 127 7.029 -3.707 -10.558 908 HA VAL 127 HA VAL 127 6.062 -2.007 -12.617 909 HB VAL 127 HB VAL 127 4.702 -3.850 -10.648 910 1HG1 VAL 127 1HG1 VAL 127 3.399 -1.915 -12.569 911 2HG1 VAL 127 2HG1 VAL 127 3.010 -2.202 -10.874 912 3HG1 VAL 127 3HG1 VAL 127 2.600 -3.412 -12.089 913 1HG2 VAL 127 1HG2 VAL 127 5.987 -4.607 -12.738 914 2HG2 VAL 127 2HG2 VAL 127 4.680 -3.879 -13.673 915 3HG2 VAL 127 3HG2 VAL 127 4.339 -5.211 -12.570 916 H ARG 128 H ARG 128 5.210 0.100 -12.497 917 HA ARG 128 HA ARG 128 5.133 1.279 -9.810 918 1HB ARG 128 2HB ARG 128 4.479 3.324 -11.417 919 2HB ARG 128 1HB ARG 128 6.146 2.801 -11.216 920 1HG ARG 128 2HG ARG 128 6.056 1.485 -13.230 921 2HG ARG 128 1HG ARG 128 4.315 1.727 -13.374 922 1HD ARG 128 2HD ARG 128 5.648 4.293 -13.202 923 2HD ARG 128 1HD ARG 128 6.354 3.332 -14.500 924 HE ARG 128 HE ARG 128 3.678 4.461 -14.485 925 1HH1 ARG 128 1HH1 ARG 128 5.487 1.666 -15.355 926 2HH1 ARG 128 2HH1 ARG 128 4.607 1.385 -16.819 927 1HH2 ARG 128 1HH2 ARG 128 2.606 4.195 -16.469 928 2HH2 ARG 128 2HH2 ARG 128 2.975 2.816 -17.450 929 H LEU 129 H LEU 129 3.224 2.380 -8.923 930 HA LEU 129 HA LEU 129 0.732 1.874 -10.510 931 1HB LEU 129 2HB LEU 129 1.448 0.602 -7.896 932 2HB LEU 129 1HB LEU 129 -0.228 1.060 -8.146 933 HG LEU 129 HG LEU 129 1.154 -0.466 -10.324 934 1HD1 LEU 129 1HD1 LEU 129 0.486 -2.597 -9.182 935 2HD1 LEU 129 2HD1 LEU 129 0.162 -1.660 -7.724 936 3HD1 LEU 129 3HD1 LEU 129 1.800 -1.747 -8.369 937 1HD2 LEU 129 1HD2 LEU 129 -1.171 -1.500 -10.381 938 2HD2 LEU 129 2HD2 LEU 129 -1.099 0.217 -10.762 939 3HD2 LEU 129 3HD2 LEU 129 -1.639 -0.312 -9.169 940 HA PRO 130 HA PRO 130 -0.392 5.742 -8.653 941 1HB PRO 130 2HB PRO 130 -3.058 4.957 -7.849 942 2HB PRO 130 1HB PRO 130 -2.600 5.939 -9.245 943 1HG PRO 130 2HG PRO 130 -3.565 3.229 -9.229 944 2HG PRO 130 1HG PRO 130 -3.134 4.225 -10.623 945 1HD PRO 130 2HD PRO 130 -1.696 1.968 -9.574 946 2HD PRO 130 1HD PRO 130 -1.224 3.010 -10.938 947 H TYR 131 H TYR 131 -0.089 6.403 -6.378 948 HA TYR 131 HA TYR 131 -0.587 4.198 -4.398 949 1HB TYR 131 2HB TYR 131 1.621 4.737 -3.387 950 2HB TYR 131 1HB TYR 131 1.759 4.146 -5.044 951 HD1 TYR 131 1HD TYR 131 2.592 5.533 -6.806 952 HD2 TYR 131 2HD TYR 131 1.752 7.215 -2.943 953 HE1 TYR 131 1HE TYR 131 3.697 7.647 -7.481 954 HE2 TYR 131 2HE TYR 131 2.863 9.326 -3.626 955 HH TYR 131 HH TYR 131 4.910 9.622 -6.059 956 H VAL 132 H VAL 132 0.102 5.099 -2.088 957 HA VAL 132 HA VAL 132 -0.958 7.891 -1.790 958 HB VAL 132 HB VAL 132 -1.702 5.467 -0.118 959 1HG1 VAL 132 1HG1 VAL 132 -2.352 8.413 0.199 960 2HG1 VAL 132 2HG1 VAL 132 -1.458 7.402 1.331 961 3HG1 VAL 132 3HG1 VAL 132 -3.179 7.124 1.073 962 1HG2 VAL 132 1HG2 VAL 132 -3.539 7.314 -1.646 963 2HG2 VAL 132 2HG2 VAL 132 -3.891 5.712 -1.002 964 3HG2 VAL 132 3HG2 VAL 132 -2.831 5.886 -2.400 965 H CYS 133 H CYS 133 -0.164 8.916 0.254 966 HA CYS 133 HA CYS 133 2.132 7.478 1.501 967 1HB CYS 133 2HB CYS 133 2.376 10.364 0.638 968 2HB CYS 133 1HB CYS 133 3.650 9.292 1.197 969 H LYS 134 H LYS 134 2.372 7.917 3.666 970 HA LYS 134 HA LYS 134 0.425 9.835 4.872 971 1HB LYS 134 2HB LYS 134 0.423 8.509 6.785 972 2HB LYS 134 1HB LYS 134 0.739 7.279 5.561 973 1HG LYS 134 2HG LYS 134 3.227 7.701 5.977 974 2HG LYS 134 1HG LYS 134 2.732 8.620 7.399 975 1HD LYS 134 2HD LYS 134 1.337 6.501 7.998 976 2HD LYS 134 1HD LYS 134 2.390 5.678 6.847 977 1HE LYS 134 2HE LYS 134 3.280 5.525 9.152 978 2HE LYS 134 1HE LYS 134 4.370 6.427 8.101 979 1HZ LYS 134 1HZ LYS 134 3.443 7.297 10.476 980 2HZ LYS 134 2HZ LYS 134 2.370 8.049 9.393 981 3HZ LYS 134 3HZ LYS 134 4.043 8.299 9.247 982 H PHE 135 H PHE 135 1.296 11.323 6.559 983 HA PHE 135 HA PHE 135 4.132 11.549 7.053 984 1HB PHE 135 2HB PHE 135 4.596 13.560 5.681 985 2HB PHE 135 1HB PHE 135 4.258 12.144 4.690 986 HD1 PHE 135 1HD PHE 135 2.092 11.913 3.510 987 HD2 PHE 135 2HD PHE 135 3.073 15.439 5.758 988 HE1 PHE 135 1HE PHE 135 0.244 13.136 2.397 989 HE2 PHE 135 2HE PHE 135 1.224 16.663 4.645 990 HZ PHE 135 HZ PHE 135 -0.188 15.510 2.964 991 H THR 136 H THR 136 4.364 12.865 8.824 992 HA THR 136 HA THR 136 2.014 14.268 9.848 993 HB THR 136 HB THR 136 4.220 15.021 11.410 994 HG1 THR 136 1HG THR 136 5.005 12.695 11.647 995 1HG2 THR 136 1HG2 THR 136 1.998 14.221 12.185 996 2HG2 THR 136 2HG2 THR 136 3.325 13.402 13.007 997 3HG2 THR 136 3HG2 THR 136 2.448 12.584 11.716 998 H ASP 137 H ASP 137 2.829 16.593 10.907 999 HA ASP 137 HA ASP 137 3.075 18.851 10.294 1000 1HB ASP 137 2HB ASP 137 5.457 18.031 10.437 1001 2HB ASP 137 1HB ASP 137 5.409 17.765 8.695 Start of MODEL 9 1 1H ARG 1 1HT ARG 1 -6.578 19.544 10.325 2 2H ARG 1 2HT ARG 1 -5.899 20.977 10.935 3 3H ARG 1 3HT ARG 1 -4.896 19.762 10.302 4 HA ARG 1 HA ARG 1 -6.921 20.752 8.483 5 1HB ARG 1 2HB ARG 1 -4.786 22.488 9.692 6 2HB ARG 1 1HB ARG 1 -5.213 22.703 7.994 7 1HG ARG 1 2HG ARG 1 -7.416 23.334 8.489 8 2HG ARG 1 1HG ARG 1 -7.376 22.580 10.082 9 1HD ARG 1 2HD ARG 1 -5.619 24.936 9.370 10 2HD ARG 1 1HD ARG 1 -7.237 25.138 10.042 11 HE ARG 1 HE ARG 1 -5.812 23.331 11.714 12 1HH1 ARG 1 1HH2 ARG 1 -3.706 25.441 11.043 13 2HH1 ARG 1 2HH2 ARG 1 -3.931 26.559 12.347 14 1HH2 ARG 1 1HH1 ARG 1 -7.022 25.280 13.260 15 2HH2 ARG 1 2HH1 ARG 1 -5.808 26.467 13.603 16 H CYS 2 H CYS 2 -6.296 20.099 6.459 17 HA CYS 2 HA CYS 2 -3.477 19.494 5.913 18 1HB CYS 2 2HB CYS 2 -5.463 17.454 6.533 19 2HB CYS 2 1HB CYS 2 -4.788 17.217 4.921 20 HA PRO 3 HA PRO 3 -4.394 20.886 1.842 21 1HB PRO 3 2HB PRO 3 -3.412 18.567 0.440 22 2HB PRO 3 1HB PRO 3 -2.612 20.122 0.679 23 1HG PRO 3 2HG PRO 3 -2.059 17.591 1.978 24 2HG PRO 3 1HG PRO 3 -1.157 19.105 2.084 25 1HD PRO 3 2HD PRO 3 -2.733 17.941 4.134 26 2HD PRO 3 1HD PRO 3 -2.058 19.587 4.129 27 H LYS 4 H LYS 4 -5.765 20.433 -0.066 28 HA LYS 4 HA LYS 4 -8.139 18.972 0.609 29 1HB LYS 4 2HB LYS 4 -7.219 20.265 -1.968 30 2HB LYS 4 1HB LYS 4 -8.814 19.544 -1.753 31 1HG LYS 4 2HG LYS 4 -7.873 21.557 0.265 32 2HG LYS 4 1HG LYS 4 -8.428 22.137 -1.304 33 1HD LYS 4 2HD LYS 4 -10.593 21.207 -1.010 34 2HD LYS 4 1HD LYS 4 -10.065 20.201 0.338 35 1HE LYS 4 2HE LYS 4 -11.378 22.266 1.003 36 2HE LYS 4 1HE LYS 4 -9.799 22.112 1.771 37 1HZ LYS 4 1HZ LYS 4 -10.481 23.794 -0.576 38 2HZ LYS 4 2HZ LYS 4 -8.901 23.554 -0.001 39 3HZ LYS 4 3HZ LYS 4 -10.053 24.333 0.975 40 H GLY 5 H GLY 5 -8.882 17.022 -0.292 41 1HA GLY 5 2HA GLY 5 -8.727 14.962 -1.451 42 2HA GLY 5 1HA GLY 5 -7.275 15.573 -2.258 43 H SER 6 H SER 6 -6.515 16.421 0.646 44 HA SER 6 HA SER 6 -5.112 13.852 1.237 45 1HB SER 6 2HB SER 6 -4.630 16.479 2.642 46 2HB SER 6 1HB SER 6 -3.525 15.121 2.448 47 HG SER 6 HG SER 6 -2.862 16.407 0.873 48 H LYS 7 H LYS 7 -5.445 12.740 3.182 49 HA LYS 7 HA LYS 7 -7.433 13.936 5.082 50 1HB LYS 7 2HB LYS 7 -7.362 10.984 4.453 51 2HB LYS 7 1HB LYS 7 -8.649 11.912 5.222 52 1HG LYS 7 2HG LYS 7 -7.795 12.425 2.365 53 2HG LYS 7 1HG LYS 7 -9.025 11.233 2.774 54 1HD LYS 7 2HD LYS 7 -10.395 12.937 3.841 55 2HD LYS 7 1HD LYS 7 -9.139 14.149 3.592 56 1HE LYS 7 2HE LYS 7 -10.714 14.479 1.826 57 2HE LYS 7 1HE LYS 7 -9.337 13.654 1.097 58 1HZ LYS 7 1HZ LYS 7 -11.590 12.101 2.188 59 2HZ LYS 7 2HZ LYS 7 -10.470 11.665 0.987 60 3HZ LYS 7 3HZ LYS 7 -11.701 12.784 0.639 61 H ALA 8 H ALA 8 -6.800 13.814 7.196 62 HA ALA 8 HA ALA 8 -4.219 12.505 7.766 63 1HB ALA 8 1HB ALA 8 -4.247 13.706 9.841 64 2HB ALA 8 2HB ALA 8 -5.969 14.053 9.685 65 3HB ALA 8 3HB ALA 8 -4.812 14.826 8.600 66 H TYR 9 H TYR 9 -3.943 10.928 9.399 67 HA TYR 9 HA TYR 9 -6.201 9.807 10.836 68 1HB TYR 9 2HB TYR 9 -6.290 8.953 8.341 69 2HB TYR 9 1HB TYR 9 -4.977 7.896 8.859 70 HD1 TYR 9 1HD TYR 9 -8.534 8.725 9.260 71 HD2 TYR 9 2HD TYR 9 -5.335 6.184 10.582 72 HE1 TYR 9 1HE TYR 9 -10.180 7.218 10.343 73 HE2 TYR 9 2HE TYR 9 -6.980 4.675 11.666 74 HH TYR 9 HH TYR 9 -10.470 5.215 11.320 75 H GLY 10 H GLY 10 -5.458 8.379 12.474 76 1HA GLY 10 2HA GLY 10 -3.872 7.435 13.925 77 2HA GLY 10 1HA GLY 10 -2.872 7.157 12.497 78 H SER 11 H SER 11 -1.582 9.042 11.711 79 HA SER 11 HA SER 11 -1.271 11.405 13.326 80 1HB SER 11 2HB SER 11 -0.295 9.769 14.910 81 2HB SER 11 1HB SER 11 0.849 9.261 13.670 82 HG SER 11 HG SER 11 0.714 11.625 15.154 83 H HIS 12 H HIS 12 -1.466 10.805 10.519 84 HA HIS 12 HA HIS 12 0.891 12.252 9.582 85 1HB HIS 12 2HB HIS 12 0.273 9.473 8.528 86 2HB HIS 12 1HB HIS 12 1.513 10.559 7.906 87 HD1 HIS 12 1HD HIS 12 3.678 10.823 9.279 88 HD2 HIS 12 2HD HIS 12 0.883 8.304 11.074 89 HE1 HIS 12 1HE HIS 12 4.880 9.660 11.181 90 H CYS 13 H CYS 13 0.434 13.271 7.566 91 HA CYS 13 HA CYS 13 -2.429 13.342 6.884 92 1HB CYS 13 2HB CYS 13 -0.825 15.373 6.999 93 2HB CYS 13 1HB CYS 13 -0.243 14.821 5.429 94 H TYR 14 H TYR 14 -3.293 12.133 5.254 95 HA TYR 14 HA TYR 14 -1.401 10.669 3.499 96 1HB TYR 14 2HB TYR 14 -4.340 10.245 4.074 97 2HB TYR 14 1HB TYR 14 -3.387 9.256 2.966 98 HD1 TYR 14 1HD TYR 14 -3.379 10.519 6.496 99 HD2 TYR 14 2HD TYR 14 -2.211 7.398 3.787 100 HE1 TYR 14 1HE TYR 14 -2.550 9.175 8.404 101 HE2 TYR 14 2HE TYR 14 -1.381 6.055 5.702 102 HH TYR 14 HH TYR 14 -1.562 7.300 9.038 103 H ALA 15 H ALA 15 -1.750 10.583 1.210 104 HA ALA 15 HA ALA 15 -3.676 12.485 0.032 105 1HB ALA 15 1HB ALA 15 -1.770 13.940 0.413 106 2HB ALA 15 2HB ALA 15 -1.851 13.576 -1.311 107 3HB ALA 15 3HB ALA 15 -0.673 12.753 -0.290 108 H LEU 16 H LEU 16 -4.368 11.740 -1.935 109 HA LEU 16 HA LEU 16 -3.137 9.228 -2.931 110 1HB LEU 16 2HB LEU 16 -5.517 9.098 -2.629 111 2HB LEU 16 1HB LEU 16 -5.770 10.620 -3.479 112 HG LEU 16 HG LEU 16 -4.994 9.605 -5.574 113 1HD1 LEU 16 1HD1 LEU 16 -3.386 7.998 -4.906 114 2HD1 LEU 16 2HD1 LEU 16 -4.730 7.032 -5.508 115 3HD1 LEU 16 3HD1 LEU 16 -4.496 7.235 -3.773 116 1HD2 LEU 16 1HD2 LEU 16 -6.814 7.791 -5.730 117 2HD2 LEU 16 2HD2 LEU 16 -7.341 9.407 -5.257 118 3HD2 LEU 16 3HD2 LEU 16 -7.149 8.149 -4.035 119 H PHE 17 H PHE 17 -2.044 9.144 -4.862 120 HA PHE 17 HA PHE 17 -2.088 11.567 -6.604 121 1HB PHE 17 2HB PHE 17 0.148 10.234 -5.277 122 2HB PHE 17 1HB PHE 17 0.366 10.248 -7.025 123 HD1 PHE 17 1HD PHE 17 -0.325 12.582 -8.171 124 HD2 PHE 17 2HD PHE 17 0.917 12.090 -4.088 125 HE1 PHE 17 1HE PHE 17 0.323 14.975 -8.078 126 HE2 PHE 17 2HE PHE 17 1.563 14.482 -3.996 127 HZ PHE 17 HZ PHE 17 1.267 15.924 -5.991 128 H LEU 18 H LEU 18 -3.039 10.985 -8.480 129 HA LEU 18 HA LEU 18 -3.381 8.214 -9.245 130 1HB LEU 18 2HB LEU 18 -3.733 10.551 -11.123 131 2HB LEU 18 1HB LEU 18 -4.639 9.039 -11.065 132 HG LEU 18 HG LEU 18 -4.753 11.312 -9.064 133 1HD1 LEU 18 1HD1 LEU 18 -6.062 11.585 -11.162 134 2HD1 LEU 18 2HD1 LEU 18 -7.103 11.423 -9.746 135 3HD1 LEU 18 3HD1 LEU 18 -6.872 10.053 -10.833 136 1HD2 LEU 18 1HD2 LEU 18 -5.928 8.519 -8.986 137 2HD2 LEU 18 2HD2 LEU 18 -6.518 9.840 -7.977 138 3HD2 LEU 18 3HD2 LEU 18 -4.862 9.265 -7.799 139 H SER 19 H SER 19 -0.686 9.790 -9.019 140 HA SER 19 HA SER 19 0.368 9.281 -11.740 141 1HB SER 19 2HB SER 19 2.551 9.994 -10.244 142 2HB SER 19 1HB SER 19 1.527 11.116 -11.136 143 HG SER 19 HG SER 19 1.171 11.930 -9.225 144 HA PRO 20 HA PRO 20 1.548 5.147 -10.415 145 1HB PRO 20 2HB PRO 20 3.246 4.906 -12.714 146 2HB PRO 20 1HB PRO 20 1.641 4.214 -12.469 147 1HG PRO 20 2HG PRO 20 2.383 6.377 -14.203 148 2HG PRO 20 1HG PRO 20 0.782 5.675 -13.967 149 1HD PRO 20 2HD PRO 20 1.744 8.239 -13.085 150 2HD PRO 20 1HD PRO 20 0.125 7.529 -12.849 151 H LYS 21 H LYS 21 3.466 4.154 -9.527 152 HA LYS 21 HA LYS 21 6.081 5.401 -9.902 153 1HB LYS 21 2HB LYS 21 4.520 5.824 -7.352 154 2HB LYS 21 1HB LYS 21 6.284 5.820 -7.347 155 1HG LYS 21 2HG LYS 21 6.012 7.540 -9.326 156 2HG LYS 21 1HG LYS 21 4.395 7.760 -8.658 157 1HD LYS 21 2HD LYS 21 5.430 8.207 -6.425 158 2HD LYS 21 1HD LYS 21 7.019 8.117 -7.185 159 1HE LYS 21 2HE LYS 21 6.424 10.444 -7.100 160 2HE LYS 21 1HE LYS 21 6.247 9.934 -8.778 161 1HZ LYS 21 1HZ LYS 21 4.056 10.135 -6.783 162 2HZ LYS 21 2HZ LYS 21 3.880 9.622 -8.393 163 3HZ LYS 21 3HZ LYS 21 4.343 11.220 -8.053 164 H SER 22 H SER 22 7.554 3.761 -9.726 165 HA SER 22 HA SER 22 6.942 1.092 -9.185 166 1HB SER 22 2HB SER 22 9.568 2.441 -8.512 167 2HB SER 22 1HB SER 22 9.322 0.727 -8.830 168 HG SER 22 HG SER 22 9.000 1.151 -10.926 169 H TRP 23 H TRP 23 6.978 -0.219 -7.286 170 HA TRP 23 HA TRP 23 6.052 0.936 -4.878 171 1HB TRP 23 2HB TRP 23 5.860 -1.476 -5.338 172 2HB TRP 23 1HB TRP 23 7.611 -1.644 -5.246 173 HD1 TRP 23 HD TRP 23 4.515 -1.358 -3.119 174 HE1 TRP 23 1HE TRP 23 5.150 -1.612 -0.634 175 HE3 TRP 23 3HE TRP 23 9.604 -1.161 -3.489 176 HZ2 TRP 23 2HZ TRP 23 7.508 -1.716 0.984 177 HZ3 TRP 23 3HZ TRP 23 11.019 -1.339 -1.462 178 HH2 TRP 23 HH TRP 23 9.979 -1.616 0.772 179 H THR 24 H THR 24 9.244 0.610 -6.156 180 HA THR 24 HA THR 24 10.533 1.275 -3.580 181 HB THR 24 HB THR 24 11.487 -0.383 -5.254 182 HG1 THR 24 1HG THR 24 12.941 0.291 -3.824 183 1HG2 THR 24 1HG2 THR 24 12.332 2.101 -6.750 184 2HG2 THR 24 2HG2 THR 24 10.934 1.135 -7.221 185 3HG2 THR 24 3HG2 THR 24 12.544 0.418 -7.234 186 H ASP 25 H ASP 25 9.326 2.800 -6.373 187 HA ASP 25 HA ASP 25 10.993 5.213 -6.116 188 1HB ASP 25 2HB ASP 25 10.357 4.584 -8.362 189 2HB ASP 25 1HB ASP 25 8.654 4.511 -7.910 190 H ALA 26 H ALA 26 7.622 4.211 -5.538 191 HA ALA 26 HA ALA 26 6.828 6.825 -4.562 192 1HB ALA 26 1HB ALA 26 4.760 5.790 -4.074 193 2HB ALA 26 2HB ALA 26 5.512 4.209 -3.854 194 3HB ALA 26 3HB ALA 26 5.344 4.887 -5.466 195 H ASP 27 H ASP 27 8.212 3.878 -3.299 196 HA ASP 27 HA ASP 27 7.844 4.398 -0.510 197 1HB ASP 27 2HB ASP 27 8.497 2.202 -1.329 198 2HB ASP 27 1HB ASP 27 9.981 2.867 -2.012 199 H LEU 28 H LEU 28 10.463 5.203 -2.776 200 HA LEU 28 HA LEU 28 12.074 6.529 -0.759 201 1HB LEU 28 2HB LEU 28 12.666 5.550 -3.183 202 2HB LEU 28 1HB LEU 28 12.366 7.222 -3.654 203 HG LEU 28 HG LEU 28 14.319 6.281 -1.533 204 1HD1 LEU 28 1HD1 LEU 28 14.944 5.972 -3.971 205 2HD1 LEU 28 2HD1 LEU 28 16.032 7.015 -3.055 206 3HD1 LEU 28 3HD1 LEU 28 14.840 7.725 -4.143 207 1HD2 LEU 28 1HD2 LEU 28 13.546 8.365 -0.746 208 2HD2 LEU 28 2HD2 LEU 28 13.349 9.011 -2.375 209 3HD2 LEU 28 3HD2 LEU 28 14.964 8.802 -1.699 210 H ALA 29 H ALA 29 9.864 7.679 -3.318 211 HA ALA 29 HA ALA 29 10.266 10.469 -2.771 212 1HB ALA 29 1HB ALA 29 8.258 10.830 -4.101 213 2HB ALA 29 2HB ALA 29 7.807 9.132 -3.933 214 3HB ALA 29 3HB ALA 29 9.238 9.577 -4.862 215 H CYS 30 H CYS 30 7.594 8.265 -1.771 216 HA CYS 30 HA CYS 30 6.304 10.218 -0.130 217 1HB CYS 30 2HB CYS 30 5.263 8.059 -0.849 218 2HB CYS 30 1HB CYS 30 6.338 7.210 0.259 219 H GLN 31 H GLN 31 9.194 8.389 0.265 220 HA GLN 31 HA GLN 31 9.273 8.644 3.182 221 1HB GLN 31 2HB GLN 31 10.461 6.773 2.161 222 2HB GLN 31 1HB GLN 31 11.396 7.874 1.154 223 1HG GLN 31 2HG GLN 31 11.458 8.176 4.148 224 2HG GLN 31 1HG GLN 31 12.457 6.948 3.371 225 1HE2 GLN 31 1HE2 GLN 31 13.127 9.677 4.696 226 2HE2 GLN 31 2HE2 GLN 31 14.097 10.453 3.538 227 H LYS 32 H LYS 32 10.354 10.385 0.359 228 HA LYS 32 HA LYS 32 12.225 12.136 1.565 229 1HB LYS 32 2HB LYS 32 11.524 11.800 -0.951 230 2HB LYS 32 1HB LYS 32 10.349 13.065 -0.597 231 1HG LYS 32 2HG LYS 32 12.058 14.473 -1.156 232 2HG LYS 32 1HG LYS 32 12.601 14.164 0.493 233 1HD LYS 32 2HD LYS 32 14.530 13.673 -0.729 234 2HD LYS 32 1HD LYS 32 13.791 12.078 -0.590 235 1HE LYS 32 2HE LYS 32 12.615 12.650 -2.827 236 2HE LYS 32 1HE LYS 32 13.819 13.932 -2.969 237 1HZ LYS 32 1HZ LYS 32 14.832 11.308 -2.248 238 2HZ LYS 32 2HZ LYS 32 15.471 12.469 -3.311 239 3HZ LYS 32 3HZ LYS 32 14.214 11.447 -3.821 240 H ARG 33 H ARG 33 8.881 11.803 2.013 241 HA ARG 33 HA ARG 33 8.346 14.585 2.727 242 1HB ARG 33 2HB ARG 33 6.817 12.044 2.557 243 2HB ARG 33 1HB ARG 33 6.222 13.224 3.714 244 1HG ARG 33 2HG ARG 33 5.121 13.618 1.589 245 2HG ARG 33 1HG ARG 33 6.250 14.943 1.875 246 1HD ARG 33 2HD ARG 33 7.007 12.491 0.274 247 2HD ARG 33 1HD ARG 33 6.295 13.924 -0.469 248 HE ARG 33 HE ARG 33 9.029 13.684 0.472 249 1HH1 ARG 33 1HH1 ARG 33 6.724 15.606 -1.049 250 2HH1 ARG 33 2HH1 ARG 33 7.520 17.111 -0.734 251 1HH2 ARG 33 1HH2 ARG 33 9.915 15.712 1.347 252 2HH2 ARG 33 2HH2 ARG 33 9.328 17.171 0.623 253 HA PRO 34 HA PRO 34 9.450 14.722 6.973 254 1HB PRO 34 2HB PRO 34 6.779 15.106 8.011 255 2HB PRO 34 1HB PRO 34 8.054 16.308 7.795 256 1HG PRO 34 2HG PRO 34 5.679 15.841 6.162 257 2HG PRO 34 1HG PRO 34 6.795 17.212 6.137 258 1HD PRO 34 2HD PRO 34 6.589 15.284 4.130 259 2HD PRO 34 1HD PRO 34 8.000 16.338 4.377 260 H SER 35 H SER 35 9.886 12.375 6.817 261 HA SER 35 HA SER 35 9.743 10.233 7.730 262 1HB SER 35 2HB SER 35 8.959 11.735 9.766 263 2HB SER 35 1HB SER 35 7.385 11.034 9.405 264 HG SER 35 HG SER 35 9.729 9.839 10.336 265 H GLY 36 H GLY 36 7.828 11.465 5.586 266 1HA GLY 36 2HA GLY 36 5.423 9.892 5.728 267 2HA GLY 36 1HA GLY 36 6.048 10.664 4.270 268 H ASN 37 H ASN 37 5.079 8.427 3.551 269 HA ASN 37 HA ASN 37 6.998 6.802 2.403 270 1HB ASN 37 2HB ASN 37 6.686 6.216 5.291 271 2HB ASN 37 1HB ASN 37 6.544 4.802 4.250 272 1HD2 ASN 37 1HD2 ASN 37 8.812 6.621 5.912 273 2HD2 ASN 37 2HD2 ASN 37 10.189 6.228 5.003 274 H LEU 38 H LEU 38 5.956 5.187 1.151 275 HA LEU 38 HA LEU 38 3.441 5.237 0.312 276 1HB LEU 38 2HB LEU 38 4.970 2.776 1.136 277 2HB LEU 38 1HB LEU 38 3.404 2.661 0.338 278 HG LEU 38 HG LEU 38 5.683 4.293 -0.777 279 1HD1 LEU 38 1HD1 LEU 38 6.316 1.875 -0.548 280 2HD1 LEU 38 2HD1 LEU 38 6.225 2.418 -2.224 281 3HD1 LEU 38 3HD1 LEU 38 4.914 1.460 -1.536 282 1HD2 LEU 38 1HD2 LEU 38 3.954 3.252 -2.762 283 2HD2 LEU 38 2HD2 LEU 38 4.094 4.925 -2.222 284 3HD2 LEU 38 3HD2 LEU 38 2.918 3.856 -1.472 285 H VAL 39 H VAL 39 1.385 5.076 1.055 286 HA VAL 39 HA VAL 39 0.562 5.407 3.629 287 HB VAL 39 HB VAL 39 -1.082 5.504 1.941 288 1HG1 VAL 39 1HG1 VAL 39 -0.130 4.073 0.272 289 2HG1 VAL 39 2HG1 VAL 39 -1.710 3.393 0.660 290 3HG1 VAL 39 3HG1 VAL 39 -0.249 2.660 1.322 291 1HG2 VAL 39 1HG2 VAL 39 -1.744 4.399 4.193 292 2HG2 VAL 39 2HG2 VAL 39 -1.799 2.892 3.281 293 3HG2 VAL 39 3HG2 VAL 39 -2.862 4.230 2.842 294 H SER 40 H SER 40 0.027 4.164 5.409 295 HA SER 40 HA SER 40 1.140 1.383 5.446 296 1HB SER 40 2HB SER 40 2.258 2.364 7.195 297 2HB SER 40 1HB SER 40 1.040 3.618 7.400 298 HG SER 40 HG SER 40 1.298 1.198 8.631 299 H VAL 41 H VAL 41 -0.098 -0.137 6.974 300 HA VAL 41 HA VAL 41 -2.959 0.527 7.327 301 HB VAL 41 HB VAL 41 -2.405 -2.050 5.896 302 1HG1 VAL 41 1HG1 VAL 41 -4.661 -1.347 6.788 303 2HG1 VAL 41 2HG1 VAL 41 -4.634 -1.720 5.064 304 3HG1 VAL 41 3HG1 VAL 41 -4.646 -0.041 5.603 305 1HG2 VAL 41 1HG2 VAL 41 -2.616 0.633 4.493 306 2HG2 VAL 41 2HG2 VAL 41 -2.586 -0.943 3.707 307 3HG2 VAL 41 3HG2 VAL 41 -1.163 -0.363 4.566 308 H LEU 42 H LEU 42 -2.418 0.235 9.604 309 HA LEU 42 HA LEU 42 -1.822 -2.600 10.377 310 1HB LEU 42 2HB LEU 42 -1.227 0.018 11.758 311 2HB LEU 42 1HB LEU 42 -1.149 -1.529 12.599 312 HG LEU 42 HG LEU 42 0.401 -0.835 10.090 313 1HD1 LEU 42 1HD1 LEU 42 1.291 -1.078 12.985 314 2HD1 LEU 42 2HD1 LEU 42 1.165 0.428 12.077 315 3HD1 LEU 42 3HD1 LEU 42 2.355 -0.786 11.611 316 1HD2 LEU 42 1HD2 LEU 42 0.110 -3.300 11.784 317 2HD2 LEU 42 2HD2 LEU 42 1.676 -2.966 11.048 318 3HD2 LEU 42 3HD2 LEU 42 0.249 -3.161 10.035 319 H SER 43 H SER 43 -4.499 -0.896 9.956 320 HA SER 43 HA SER 43 -5.758 -2.067 12.398 321 1HB SER 43 2HB SER 43 -5.379 0.340 12.833 322 2HB SER 43 1HB SER 43 -6.275 0.738 11.369 323 HG SER 43 HG SER 43 -7.359 0.602 13.603 324 H GLY 44 H GLY 44 -7.919 -2.715 12.115 325 1HA GLY 44 2HA GLY 44 -8.683 -3.511 9.472 326 2HA GLY 44 1HA GLY 44 -9.740 -3.542 10.885 327 H ALA 45 H ALA 45 -9.219 -0.618 11.338 328 HA ALA 45 HA ALA 45 -11.379 0.370 9.629 329 1HB ALA 45 1HB ALA 45 -11.380 1.181 11.884 330 2HB ALA 45 2HB ALA 45 -10.883 2.543 10.880 331 3HB ALA 45 3HB ALA 45 -9.678 1.634 11.792 332 H GLU 46 H GLU 46 -7.881 0.641 9.838 333 HA GLU 46 HA GLU 46 -7.627 2.825 7.960 334 1HB GLU 46 2HB GLU 46 -5.726 0.705 8.977 335 2HB GLU 46 1HB GLU 46 -5.237 1.875 7.753 336 1HG GLU 46 2HG GLU 46 -6.532 2.807 10.309 337 2HG GLU 46 1HG GLU 46 -4.808 2.438 10.269 338 H GLY 47 H GLY 47 -7.554 -0.718 7.683 339 1HA GLY 47 2HA GLY 47 -6.848 -0.918 4.952 340 2HA GLY 47 1HA GLY 47 -7.869 -2.084 5.797 341 H SER 48 H SER 48 -9.957 -0.190 6.472 342 HA SER 48 HA SER 48 -11.366 -0.188 3.894 343 1HB SER 48 2HB SER 48 -12.716 -0.852 5.739 344 2HB SER 48 1HB SER 48 -12.158 0.492 6.731 345 HG SER 48 HG SER 48 -13.884 1.439 5.986 346 H PHE 49 H PHE 49 -10.246 2.206 6.283 347 HA PHE 49 HA PHE 49 -11.248 4.535 5.035 348 1HB PHE 49 2HB PHE 49 -10.042 4.345 7.286 349 2HB PHE 49 1HB PHE 49 -8.535 4.369 6.367 350 HD1 PHE 49 1HD PHE 49 -8.059 6.334 4.835 351 HD2 PHE 49 2HD PHE 49 -11.260 6.347 7.700 352 HE1 PHE 49 1HE PHE 49 -8.189 8.804 4.679 353 HE2 PHE 49 2HE PHE 49 -11.389 8.818 7.544 354 HZ PHE 49 HZ PHE 49 -9.854 10.047 6.032 355 H VAL 50 H VAL 50 -8.083 2.928 4.558 356 HA VAL 50 HA VAL 50 -7.153 4.685 2.519 357 HB VAL 50 HB VAL 50 -6.575 1.721 2.830 358 1HG1 VAL 50 1HG1 VAL 50 -4.429 2.378 1.696 359 2HG1 VAL 50 2HG1 VAL 50 -5.128 3.971 1.403 360 3HG1 VAL 50 3HG1 VAL 50 -5.851 2.540 0.665 361 1HG2 VAL 50 1HG2 VAL 50 -6.168 3.274 4.846 362 2HG2 VAL 50 2HG2 VAL 50 -4.936 4.048 3.855 363 3HG2 VAL 50 3HG2 VAL 50 -4.783 2.342 4.276 364 H SER 51 H SER 51 -9.074 1.692 2.343 365 HA SER 51 HA SER 51 -9.202 1.496 -0.489 366 1HB SER 51 2HB SER 51 -10.026 -0.369 0.707 367 2HB SER 51 1HB SER 51 -11.051 0.631 1.731 368 HG SER 51 HG SER 51 -11.603 0.941 -0.915 369 H SER 52 H SER 52 -11.225 3.309 1.811 370 HA SER 52 HA SER 52 -13.043 4.287 -0.222 371 1HB SER 52 2HB SER 52 -14.015 5.570 1.499 372 2HB SER 52 1HB SER 52 -13.382 4.163 2.352 373 HG SER 52 HG SER 52 -11.497 5.434 2.788 374 H LEU 53 H LEU 53 -9.904 5.252 0.914 375 HA LEU 53 HA LEU 53 -10.074 7.981 -0.113 376 1HB LEU 53 2HB LEU 53 -8.540 7.744 1.658 377 2HB LEU 53 1HB LEU 53 -7.896 6.235 1.022 378 HG LEU 53 HG LEU 53 -6.908 7.519 -0.894 379 1HD1 LEU 53 1HD1 LEU 53 -8.435 9.456 -0.841 380 2HD1 LEU 53 2HD1 LEU 53 -6.768 9.993 -0.638 381 3HD1 LEU 53 3HD1 LEU 53 -7.838 9.895 0.760 382 1HD2 LEU 53 1HD2 LEU 53 -5.076 8.472 0.409 383 2HD2 LEU 53 2HD2 LEU 53 -5.613 6.972 1.166 384 3HD2 LEU 53 3HD2 LEU 53 -6.094 8.527 1.849 385 H VAL 54 H VAL 54 -9.208 4.842 -1.356 386 HA VAL 54 HA VAL 54 -8.329 6.141 -3.906 387 HB VAL 54 HB VAL 54 -6.876 4.227 -4.285 388 1HG1 VAL 54 1HG1 VAL 54 -6.246 6.191 -2.707 389 2HG1 VAL 54 2HG1 VAL 54 -5.239 4.745 -2.664 390 3HG1 VAL 54 3HG1 VAL 54 -6.443 5.019 -1.404 391 1HG2 VAL 54 1HG2 VAL 54 -7.944 2.354 -3.361 392 2HG2 VAL 54 2HG2 VAL 54 -8.292 3.180 -1.843 393 3HG2 VAL 54 3HG2 VAL 54 -6.651 2.642 -2.198 394 H LYS 55 H LYS 55 -11.029 5.013 -2.806 395 HA LYS 55 HA LYS 55 -11.637 2.748 -4.500 396 1HB LYS 55 2HB LYS 55 -13.007 4.366 -2.530 397 2HB LYS 55 1HB LYS 55 -14.039 4.162 -3.943 398 1HG LYS 55 2HG LYS 55 -13.664 1.707 -3.839 399 2HG LYS 55 1HG LYS 55 -12.697 1.934 -2.381 400 1HD LYS 55 2HD LYS 55 -14.712 3.079 -1.349 401 2HD LYS 55 1HD LYS 55 -15.642 2.536 -2.746 402 1HE LYS 55 2HE LYS 55 -14.289 0.855 -0.635 403 2HE LYS 55 1HE LYS 55 -15.986 0.847 -1.115 404 1HZ LYS 55 1HZ LYS 55 -15.358 -0.894 -2.352 405 2HZ LYS 55 2HZ LYS 55 -13.714 -0.469 -2.329 406 3HZ LYS 55 3HZ LYS 55 -14.773 0.277 -3.429 407 H SER 56 H SER 56 -11.654 6.211 -4.938 408 HA SER 56 HA SER 56 -13.048 5.958 -7.552 409 1HB SER 56 2HB SER 56 -12.136 8.375 -5.962 410 2HB SER 56 1HB SER 56 -12.906 8.467 -7.543 411 HG SER 56 HG SER 56 -14.450 6.912 -6.199 412 H ILE 57 H ILE 57 -10.477 4.767 -7.232 413 HA ILE 57 HA ILE 57 -8.286 6.313 -8.035 414 HB ILE 57 HB ILE 57 -7.724 4.161 -7.402 415 1HG1 ILE 57 2HG1 ILE 57 -6.838 2.953 -9.293 416 2HG1 ILE 57 1HG1 ILE 57 -8.000 3.702 -10.382 417 1HG2 ILE 57 1HG2 ILE 57 -9.828 3.131 -7.226 418 2HG2 ILE 57 2HG2 ILE 57 -8.993 2.147 -8.424 419 3HG2 ILE 57 3HG2 ILE 57 -10.181 3.343 -8.938 420 1HD1 ILE 57 1HD1 ILE 57 -6.371 5.647 -8.890 421 2HD1 ILE 57 2HD1 ILE 57 -6.736 5.578 -10.611 422 3HD1 ILE 57 3HD1 ILE 57 -5.431 4.605 -9.945 423 H GLY 58 H GLY 58 -10.337 4.319 -10.210 424 1HA GLY 58 2HA GLY 58 -11.159 5.900 -12.172 425 2HA GLY 58 1HA GLY 58 -9.426 6.012 -12.480 426 H ASN 59 H ASN 59 -11.434 4.868 -14.256 427 HA ASN 59 HA ASN 59 -11.478 2.040 -14.174 428 1HB ASN 59 2HB ASN 59 -11.490 3.743 -16.674 429 2HB ASN 59 1HB ASN 59 -12.193 2.138 -16.473 430 1HD2 ASN 59 1HD2 ASN 59 -12.914 5.465 -16.343 431 2HD2 ASN 59 2HD2 ASN 59 -14.387 5.360 -15.507 432 H SER 60 H SER 60 -9.271 4.249 -15.919 433 HA SER 60 HA SER 60 -7.639 2.136 -16.997 434 1HB SER 60 2HB SER 60 -6.099 3.886 -17.622 435 2HB SER 60 1HB SER 60 -7.729 4.516 -17.844 436 HG SER 60 HG SER 60 -6.365 5.975 -16.709 437 H TYR 61 H TYR 61 -8.185 2.242 -13.984 438 HA TYR 61 HA TYR 61 -5.512 1.394 -13.172 439 1HB TYR 61 2HB TYR 61 -6.764 3.902 -12.076 440 2HB TYR 61 1HB TYR 61 -5.519 3.002 -11.211 441 HD1 TYR 61 1HD TYR 61 -6.061 5.646 -13.442 442 HD2 TYR 61 2HD TYR 61 -3.425 2.319 -12.770 443 HE1 TYR 61 1HE TYR 61 -4.317 6.749 -14.817 444 HE2 TYR 61 2HE TYR 61 -1.682 3.423 -14.145 445 HH TYR 61 HH TYR 61 -1.204 6.041 -14.749 446 H SER 62 H SER 62 -5.921 -0.394 -11.983 447 HA SER 62 HA SER 62 -8.454 -0.478 -10.377 448 1HB SER 62 2HB SER 62 -7.898 -3.080 -10.673 449 2HB SER 62 1HB SER 62 -8.805 -2.184 -11.889 450 HG SER 62 HG SER 62 -7.216 -3.050 -13.052 451 H TYR 63 H TYR 63 -4.982 -1.177 -10.391 452 HA TYR 63 HA TYR 63 -5.235 -1.999 -7.535 453 1HB TYR 63 2HB TYR 63 -3.106 -2.455 -9.613 454 2HB TYR 63 1HB TYR 63 -2.803 -2.730 -7.897 455 HD1 TYR 63 1HD TYR 63 -5.461 -3.482 -10.448 456 HD2 TYR 63 2HD TYR 63 -3.175 -4.887 -7.093 457 HE1 TYR 63 1HE TYR 63 -6.585 -5.684 -10.600 458 HE2 TYR 63 2HE TYR 63 -4.295 -7.091 -7.255 459 HH TYR 63 HH TYR 63 -6.148 -8.149 -8.150 460 H VAL 64 H VAL 64 -3.540 -1.212 -6.049 461 HA VAL 64 HA VAL 64 -2.402 1.451 -6.784 462 HB VAL 64 HB VAL 64 -4.051 0.843 -4.306 463 1HG1 VAL 64 1HG1 VAL 64 -3.010 3.528 -5.192 464 2HG1 VAL 64 2HG1 VAL 64 -2.112 2.493 -4.081 465 3HG1 VAL 64 3HG1 VAL 64 -3.707 3.089 -3.634 466 1HG2 VAL 64 1HG2 VAL 64 -5.468 1.064 -6.266 467 2HG2 VAL 64 2HG2 VAL 64 -4.620 2.533 -6.752 468 3HG2 VAL 64 3HG2 VAL 64 -5.612 2.528 -5.293 469 H TRP 65 H TRP 65 -0.480 1.948 -5.602 470 HA TRP 65 HA TRP 65 0.840 -0.406 -4.432 471 1HB TRP 65 2HB TRP 65 1.670 2.198 -5.523 472 2HB TRP 65 1HB TRP 65 2.615 1.682 -4.139 473 HD1 TRP 65 HD TRP 65 3.512 1.920 -7.247 474 HE1 TRP 65 1HE TRP 65 4.683 -0.099 -8.325 475 HE3 TRP 65 3HE TRP 65 1.975 -1.810 -4.087 476 HZ2 TRP 65 2HZ TRP 65 4.913 -2.899 -7.931 477 HZ3 TRP 65 3HZ TRP 65 2.693 -4.140 -4.484 478 HH2 TRP 65 HH TRP 65 4.161 -4.692 -6.395 479 H ILE 66 H ILE 66 1.615 -0.512 -2.270 480 HA ILE 66 HA ILE 66 0.919 1.764 -0.484 481 HB ILE 66 HB ILE 66 0.046 0.165 1.233 482 1HG1 ILE 66 2HG1 ILE 66 0.224 -1.811 -1.059 483 2HG1 ILE 66 1HG1 ILE 66 1.117 -1.893 0.459 484 1HG2 ILE 66 1HG2 ILE 66 -1.397 1.402 -0.490 485 2HG2 ILE 66 2HG2 ILE 66 -2.135 0.005 0.291 486 3HG2 ILE 66 3HG2 ILE 66 -1.496 -0.135 -1.347 487 1HD1 ILE 66 1HD1 ILE 66 -0.740 -3.369 0.739 488 2HD1 ILE 66 2HD1 ILE 66 -1.863 -2.206 0.033 489 3HD1 ILE 66 3HD1 ILE 66 -1.168 -1.907 1.627 490 H GLY 67 H GLY 67 2.061 1.201 1.796 491 1HA GLY 67 2HA GLY 67 4.826 0.554 1.069 492 2HA GLY 67 1HA GLY 67 4.291 1.251 2.593 493 H LEU 68 H LEU 68 3.454 -1.847 0.940 494 HA LEU 68 HA LEU 68 4.597 -3.201 3.332 495 1HB LEU 68 2HB LEU 68 2.137 -3.163 3.612 496 2HB LEU 68 1HB LEU 68 1.955 -3.947 2.051 497 HG LEU 68 HG LEU 68 2.901 -5.981 2.821 498 1HD1 LEU 68 1HD1 LEU 68 3.948 -4.344 5.129 499 2HD1 LEU 68 2HD1 LEU 68 4.885 -5.267 3.955 500 3HD1 LEU 68 3HD1 LEU 68 3.917 -6.102 5.164 501 1HD2 LEU 68 1HD2 LEU 68 1.563 -6.601 4.689 502 2HD2 LEU 68 2HD2 LEU 68 0.649 -5.351 3.844 503 3HD2 LEU 68 3HD2 LEU 68 1.542 -4.952 5.312 504 H HIS 69 H HIS 69 6.014 -4.734 2.774 505 HA HIS 69 HA HIS 69 5.783 -5.922 0.044 506 1HB HIS 69 2HB HIS 69 8.244 -5.997 -0.048 507 2HB HIS 69 1HB HIS 69 7.675 -4.337 0.129 508 HD1 HIS 69 1HD HIS 69 10.130 -6.514 1.498 509 HD2 HIS 69 2HD HIS 69 7.507 -3.733 3.132 510 HE1 HIS 69 1HE HIS 69 11.046 -5.930 3.786 511 H ASP 70 H ASP 70 7.475 -7.850 0.079 512 HA ASP 70 HA ASP 70 6.662 -9.592 2.361 513 1HB ASP 70 2HB ASP 70 5.986 -10.143 -0.074 514 2HB ASP 70 1HB ASP 70 7.683 -10.560 -0.309 515 HA PRO 71 HA PRO 71 11.231 -8.702 2.844 516 1HB PRO 71 2HB PRO 71 10.877 -9.558 5.574 517 2HB PRO 71 1HB PRO 71 11.224 -7.937 4.969 518 1HG PRO 71 2HG PRO 71 8.739 -8.976 6.011 519 2HG PRO 71 1HG PRO 71 9.142 -7.321 5.547 520 1HD PRO 71 2HD PRO 71 7.392 -9.072 4.180 521 2HD PRO 71 1HD PRO 71 8.007 -7.513 3.586 522 H THR 72 H THR 72 9.526 -11.365 2.325 523 HA THR 72 HA THR 72 11.052 -13.424 3.665 524 HB THR 72 HB THR 72 9.978 -14.944 2.021 525 HG1 THR 72 1HG THR 72 9.759 -13.920 0.173 526 1HG2 THR 72 1HG2 THR 72 7.710 -14.585 2.749 527 2HG2 THR 72 2HG2 THR 72 8.018 -12.870 3.033 528 3HG2 THR 72 3HG2 THR 72 8.771 -14.085 4.067 529 H GLN 73 H GLN 73 11.225 -11.904 0.442 530 HA GLN 73 HA GLN 73 12.893 -12.087 -1.214 531 1HB GLN 73 2HB GLN 73 14.387 -11.991 1.405 532 2HB GLN 73 1HB GLN 73 15.256 -12.089 -0.127 533 1HG GLN 73 2HG GLN 73 13.129 -10.003 0.386 534 2HG GLN 73 1HG GLN 73 14.829 -9.730 0.772 535 1HE2 GLN 73 1HE2 GLN 73 12.549 -10.222 -1.904 536 2HE2 GLN 73 2HE2 GLN 73 13.618 -9.741 -3.131 537 H GLY 74 H GLY 74 11.725 -14.635 -0.052 538 1HA GLY 74 2HA GLY 74 12.042 -16.892 -0.716 539 2HA GLY 74 1HA GLY 74 13.632 -16.455 -1.343 540 H THR 75 H THR 75 13.859 -15.076 1.507 541 HA THR 75 HA THR 75 15.236 -17.387 2.706 542 HB THR 75 HB THR 75 14.943 -14.682 4.008 543 HG1 THR 75 1HG THR 75 17.083 -14.500 2.694 544 1HG2 THR 75 1HG2 THR 75 16.102 -16.734 5.057 545 2HG2 THR 75 2HG2 THR 75 17.009 -15.222 5.027 546 3HG2 THR 75 3HG2 THR 75 17.357 -16.485 3.844 547 H GLU 76 H GLU 76 12.288 -17.413 2.524 548 HA GLU 76 HA GLU 76 11.754 -18.099 5.332 549 1HB GLU 76 2HB GLU 76 11.233 -15.585 4.971 550 2HB GLU 76 1HB GLU 76 9.868 -16.149 4.005 551 1HG GLU 76 2HG GLU 76 9.011 -17.429 5.905 552 2HG GLU 76 1HG GLU 76 10.409 -16.966 6.875 553 HA PRO 77 HA PRO 77 9.741 -20.673 1.976 554 1HB PRO 77 2HB PRO 77 10.443 -22.978 3.557 555 2HB PRO 77 1HB PRO 77 11.063 -22.506 1.975 556 1HG PRO 77 2HG PRO 77 12.445 -22.436 4.471 557 2HG PRO 77 1HG PRO 77 13.033 -21.889 2.899 558 1HD PRO 77 2HD PRO 77 12.233 -20.280 5.181 559 2HD PRO 77 1HD PRO 77 12.930 -19.732 3.636 560 H ASN 78 H ASN 78 8.523 -19.315 4.301 561 HA ASN 78 HA ASN 78 6.453 -21.369 4.963 562 1HB ASN 78 2HB ASN 78 7.428 -19.226 6.872 563 2HB ASN 78 1HB ASN 78 6.302 -20.538 7.224 564 1HD2 ASN 78 1HD2 ASN 78 9.722 -19.806 6.576 565 2HD2 ASN 78 2HD2 ASN 78 10.321 -21.293 7.130 566 H GLY 79 H GLY 79 7.279 -18.028 4.273 567 1HA GLY 79 2HA GLY 79 5.916 -16.331 3.375 568 2HA GLY 79 1HA GLY 79 4.610 -17.512 3.262 569 H GLU 80 H GLU 80 6.300 -15.374 5.546 570 HA GLU 80 HA GLU 80 3.777 -14.729 6.847 571 1HB GLU 80 2HB GLU 80 5.396 -16.890 7.892 572 2HB GLU 80 1HB GLU 80 5.342 -15.573 9.060 573 1HG GLU 80 2HG GLU 80 2.887 -16.742 7.723 574 2HG GLU 80 1HG GLU 80 3.468 -17.229 9.315 575 H GLY 81 H GLY 81 6.256 -13.502 5.560 576 1HA GLY 81 2HA GLY 81 7.447 -11.984 7.787 577 2HA GLY 81 1HA GLY 81 7.864 -11.822 6.081 578 H TRP 82 H TRP 82 6.227 -10.749 4.688 579 HA TRP 82 HA TRP 82 5.113 -8.704 4.266 580 1HB TRP 82 2HB TRP 82 3.375 -10.019 6.367 581 2HB TRP 82 1HB TRP 82 2.865 -8.659 5.367 582 HD1 TRP 82 HD TRP 82 2.737 -12.283 5.433 583 HE1 TRP 82 1HE TRP 82 2.262 -13.259 3.094 584 HE3 TRP 82 3HE TRP 82 3.639 -8.161 2.555 585 HZ2 TRP 82 2HZ TRP 82 2.265 -12.403 0.364 586 HZ3 TRP 82 3HZ TRP 82 3.396 -8.269 0.093 587 HH2 TRP 82 HH TRP 82 2.710 -10.382 -1.007 588 H GLU 83 H GLU 83 6.254 -6.875 4.951 589 HA GLU 83 HA GLU 83 5.585 -5.925 7.706 590 1HB GLU 83 2HB GLU 83 7.929 -7.103 7.479 591 2HB GLU 83 1HB GLU 83 8.402 -5.582 6.718 592 1HG GLU 83 2HG GLU 83 7.378 -4.420 8.759 593 2HG GLU 83 1HG GLU 83 7.345 -6.013 9.515 594 H TRP 84 H TRP 84 4.985 -3.807 7.672 595 HA TRP 84 HA TRP 84 4.877 -2.329 5.236 596 1HB TRP 84 2HB TRP 84 4.779 -1.006 7.920 597 2HB TRP 84 1HB TRP 84 3.790 -0.694 6.488 598 HD1 TRP 84 HD TRP 84 4.155 -3.117 9.413 599 HE1 TRP 84 1HE TRP 84 2.011 -4.529 9.605 600 HE3 TRP 84 3HE TRP 84 1.731 -1.607 5.187 601 HZ2 TRP 84 2HZ TRP 84 -0.411 -4.970 8.153 602 HZ3 TRP 84 3HZ TRP 84 -0.491 -2.545 4.610 603 HH2 TRP 84 HH TRP 84 -1.564 -4.220 6.089 604 H SER 85 H SER 85 6.031 -0.316 4.740 605 HA SER 85 HA SER 85 8.832 -0.531 5.629 606 1HB SER 85 2HB SER 85 8.602 -0.321 3.254 607 2HB SER 85 1HB SER 85 7.492 1.035 3.422 608 HG SER 85 HG SER 85 10.226 0.972 3.464 609 H SER 86 H SER 86 6.203 0.997 6.773 610 HA SER 86 HA SER 86 7.870 2.891 8.250 611 1HB SER 86 2HB SER 86 7.486 4.305 6.360 612 2HB SER 86 1HB SER 86 5.794 3.828 6.258 613 HG SER 86 HG SER 86 7.093 5.491 8.122 614 H SER 87 H SER 87 5.785 0.572 8.465 615 HA SER 87 HA SER 87 3.961 2.063 10.352 616 1HB SER 87 2HB SER 87 3.140 0.536 8.299 617 2HB SER 87 1HB SER 87 3.265 -0.707 9.539 618 HG SER 87 HG SER 87 1.880 1.763 9.765 619 H ASP 88 H ASP 88 5.516 -1.146 10.009 620 HA ASP 88 HA ASP 88 7.061 -1.428 12.184 621 1HB ASP 88 2HB ASP 88 4.219 -1.191 13.142 622 2HB ASP 88 1HB ASP 88 5.278 -2.323 13.970 623 H VAL 89 H VAL 89 5.399 -3.705 13.491 624 HA VAL 89 HA VAL 89 6.142 -5.721 11.480 625 HB VAL 89 HB VAL 89 4.860 -6.168 14.188 626 1HG1 VAL 89 1HG1 VAL 89 4.854 -8.117 12.726 627 2HG1 VAL 89 2HG1 VAL 89 6.071 -8.349 13.982 628 3HG1 VAL 89 3HG1 VAL 89 6.561 -7.883 12.353 629 1HG2 VAL 89 1HG2 VAL 89 7.765 -5.778 13.417 630 2HG2 VAL 89 2HG2 VAL 89 7.267 -6.543 14.925 631 3HG2 VAL 89 3HG2 VAL 89 6.838 -4.862 14.606 632 H MET 90 H MET 90 4.584 -7.329 10.731 633 HA MET 90 HA MET 90 2.167 -6.269 9.756 634 1HB MET 90 2HB MET 90 3.454 -8.499 9.189 635 2HB MET 90 1HB MET 90 2.368 -9.202 10.385 636 1HG MET 90 2HG MET 90 0.464 -8.062 9.089 637 2HG MET 90 1HG MET 90 1.646 -7.799 7.808 638 1HE MET 90 1HE MET 90 0.043 -10.027 10.203 639 2HE MET 90 2HE MET 90 1.295 -11.265 10.174 640 3HE MET 90 3HE MET 90 -0.251 -11.570 9.389 641 H ASN 91 H ASN 91 1.085 -5.182 11.519 642 HA ASN 91 HA ASN 91 0.081 -6.924 13.712 643 1HB ASN 91 2HB ASN 91 0.959 -4.294 13.704 644 2HB ASN 91 1HB ASN 91 -0.796 -4.110 13.701 645 1HD2 ASN 91 1HD2 ASN 91 1.447 -6.462 15.293 646 2HD2 ASN 91 2HD2 ASN 91 0.787 -6.255 16.844 647 H TYR 92 H TYR 92 -0.791 -6.114 10.643 648 HA TYR 92 HA TYR 92 -3.642 -6.690 11.222 649 1HB TYR 92 2HB TYR 92 -3.487 -4.244 10.974 650 2HB TYR 92 1HB TYR 92 -2.682 -4.452 9.419 651 HD1 TYR 92 1HD TYR 92 -5.731 -5.872 11.115 652 HD2 TYR 92 2HD TYR 92 -4.054 -4.097 7.581 653 HE1 TYR 92 1HE TYR 92 -7.930 -6.045 9.985 654 HE2 TYR 92 2HE TYR 92 -6.255 -4.270 6.451 655 HH TYR 92 HH TYR 92 -8.667 -6.197 7.414 656 H PHE 93 H PHE 93 -4.142 -8.464 10.029 657 HA PHE 93 HA PHE 93 -2.583 -8.988 7.538 658 1HB PHE 93 2HB PHE 93 -3.782 -11.295 7.825 659 2HB PHE 93 1HB PHE 93 -2.445 -10.891 8.900 660 HD1 PHE 93 1HD PHE 93 -2.910 -10.024 11.207 661 HD2 PHE 93 2HD PHE 93 -6.016 -11.536 8.654 662 HE1 PHE 93 1HE PHE 93 -4.413 -10.247 13.167 663 HE2 PHE 93 2HE PHE 93 -7.519 -11.759 10.615 664 HZ PHE 93 HZ PHE 93 -6.716 -11.114 12.871 665 H ALA 94 H ALA 94 -3.634 -9.226 5.556 666 HA ALA 94 HA ALA 94 -6.481 -9.534 5.280 667 1HB ALA 94 1HB ALA 94 -5.600 -6.798 4.403 668 2HB ALA 94 2HB ALA 94 -6.063 -7.055 6.086 669 3HB ALA 94 3HB ALA 94 -7.221 -7.377 4.794 670 H TRP 95 H TRP 95 -3.779 -10.362 4.172 671 HA TRP 95 HA TRP 95 -3.685 -9.426 1.432 672 1HB TRP 95 2HB TRP 95 -2.242 -11.611 1.216 673 2HB TRP 95 1HB TRP 95 -1.628 -10.265 2.175 674 HD1 TRP 95 HD TRP 95 -1.423 -10.572 4.753 675 HE1 TRP 95 1HE TRP 95 -1.694 -12.595 6.325 676 HE3 TRP 95 3HE TRP 95 -3.639 -13.881 1.555 677 HZ2 TRP 95 2HZ TRP 95 -2.715 -15.267 6.240 678 HZ3 TRP 95 3HZ TRP 95 -4.249 -16.156 2.326 679 HH2 TRP 95 HH TRP 95 -3.791 -16.852 4.660 680 H GLU 96 H GLU 96 -4.214 -10.728 -0.463 681 HA GLU 96 HA GLU 96 -6.758 -12.100 -0.186 682 1HB GLU 96 2HB GLU 96 -6.017 -10.725 -2.192 683 2HB GLU 96 1HB GLU 96 -4.958 -12.069 -2.620 684 1HG GLU 96 2HG GLU 96 -6.861 -13.579 -2.783 685 2HG GLU 96 1HG GLU 96 -7.952 -12.316 -2.214 686 H ARG 97 H ARG 97 -3.506 -13.189 -1.232 687 HA ARG 97 HA ARG 97 -4.252 -15.932 -0.289 688 1HB ARG 97 2HB ARG 97 -2.739 -15.189 -2.813 689 2HB ARG 97 1HB ARG 97 -2.918 -16.832 -2.199 690 1HG ARG 97 2HG ARG 97 -5.457 -16.388 -2.248 691 2HG ARG 97 1HG ARG 97 -5.066 -14.987 -3.244 692 1HD ARG 97 2HD ARG 97 -4.263 -17.845 -3.863 693 2HD ARG 97 1HD ARG 97 -5.587 -16.972 -4.633 694 HE ARG 97 HE ARG 97 -3.326 -15.358 -4.990 695 1HH1 ARG 97 1HH1 ARG 97 -1.949 -18.053 -5.142 696 2HH1 ARG 97 2HH1 ARG 97 -2.049 -18.395 -6.837 697 1HH2 ARG 97 1HH2 ARG 97 -4.492 -16.012 -7.447 698 2HH2 ARG 97 2HH2 ARG 97 -3.488 -17.241 -8.142 699 H ASN 98 H ASN 98 -2.465 -17.170 0.531 700 HA ASN 98 HA ASN 98 -0.324 -15.479 1.631 701 1HB ASN 98 2HB ASN 98 0.319 -17.683 2.775 702 2HB ASN 98 1HB ASN 98 -1.252 -17.008 3.205 703 1HD2 ASN 98 1HD2 ASN 98 0.118 -19.217 0.688 704 2HD2 ASN 98 2HD2 ASN 98 -1.188 -20.299 0.723 705 HA PRO 99 HA PRO 99 2.633 -16.499 -1.530 706 1HB PRO 99 2HB PRO 99 4.816 -16.712 0.336 707 2HB PRO 99 1HB PRO 99 4.422 -15.366 -0.733 708 1HG PRO 99 2HG PRO 99 4.092 -15.530 2.129 709 2HG PRO 99 1HG PRO 99 3.798 -14.150 1.067 710 1HD PRO 99 2HD PRO 99 1.837 -15.735 2.413 711 2HD PRO 99 1HD PRO 99 1.545 -14.454 1.208 712 H SER 100 H SER 100 1.872 -18.568 1.065 713 HA SER 100 HA SER 100 3.773 -20.687 0.470 714 1HB SER 100 2HB SER 100 2.850 -20.625 2.685 715 2HB SER 100 1HB SER 100 1.201 -20.606 2.065 716 HG SER 100 HG SER 100 3.073 -22.700 2.164 717 H THR 101 H THR 101 0.662 -19.737 -0.797 718 HA THR 101 HA THR 101 0.299 -22.368 -2.113 719 HB THR 101 HB THR 101 -1.627 -21.066 -1.073 720 HG1 THR 101 1HG THR 101 -2.758 -22.200 -2.406 721 1HG2 THR 101 1HG2 THR 101 -1.782 -19.464 -3.579 722 2HG2 THR 101 2HG2 THR 101 -0.644 -18.914 -2.350 723 3HG2 THR 101 3HG2 THR 101 -2.355 -19.074 -1.958 724 H ILE 102 H ILE 102 2.242 -19.875 -2.739 725 HA ILE 102 HA ILE 102 1.947 -20.209 -5.696 726 HB ILE 102 HB ILE 102 2.484 -17.630 -4.194 727 1HG1 ILE 102 2HG1 ILE 102 0.337 -18.245 -6.236 728 2HG1 ILE 102 1HG1 ILE 102 0.087 -18.491 -4.509 729 1HG2 ILE 102 1HG2 ILE 102 2.510 -16.689 -6.577 730 2HG2 ILE 102 2HG2 ILE 102 2.725 -18.354 -7.120 731 3HG2 ILE 102 3HG2 ILE 102 3.938 -17.600 -6.084 732 1HD1 ILE 102 1HD1 ILE 102 0.508 -16.149 -4.051 733 2HD1 ILE 102 2HD1 ILE 102 -0.703 -16.250 -5.329 734 3HD1 ILE 102 3HD1 ILE 102 0.970 -15.862 -5.727 735 H SER 103 H SER 103 3.981 -20.008 -6.849 736 HA SER 103 HA SER 103 6.236 -21.040 -5.325 737 1HB SER 103 2HB SER 103 5.824 -21.737 -7.661 738 2HB SER 103 1HB SER 103 6.080 -20.080 -8.201 739 HG SER 103 HG SER 103 8.166 -20.520 -6.823 740 H SER 104 H SER 104 6.286 -19.088 -3.849 741 HA SER 104 HA SER 104 7.243 -17.050 -3.184 742 1HB SER 104 2HB SER 104 9.471 -16.681 -3.944 743 2HB SER 104 1HB SER 104 9.247 -18.428 -3.968 744 HG SER 104 HG SER 104 8.944 -18.337 -6.167 745 HA PRO 105 HA PRO 105 5.068 -14.764 -6.576 746 1HB PRO 105 2HB PRO 105 4.136 -12.945 -4.545 747 2HB PRO 105 1HB PRO 105 3.200 -14.123 -5.469 748 1HG PRO 105 2HG PRO 105 3.871 -14.238 -2.705 749 2HG PRO 105 1HG PRO 105 3.034 -15.465 -3.657 750 1HD PRO 105 2HD PRO 105 5.760 -15.514 -2.630 751 2HD PRO 105 1HD PRO 105 4.862 -16.818 -3.445 752 H GLY 106 H GLY 106 4.895 -11.994 -6.361 753 1HA GLY 106 2HA GLY 106 7.567 -11.139 -6.907 754 2HA GLY 106 1HA GLY 106 6.198 -10.058 -6.631 755 H HIS 107 H HIS 107 7.298 -8.611 -5.249 756 HA HIS 107 HA HIS 107 7.712 -9.640 -2.506 757 1HB HIS 107 2HB HIS 107 9.850 -7.859 -3.645 758 2HB HIS 107 1HB HIS 107 9.938 -8.973 -2.281 759 HD1 HIS 107 1HD HIS 107 10.457 -11.435 -2.779 760 HD2 HIS 107 2HD HIS 107 10.073 -9.136 -6.219 761 HE1 HIS 107 1HE HIS 107 11.263 -12.859 -4.707 762 H CYS 108 H CYS 108 5.700 -7.970 -3.720 763 HA CYS 108 HA CYS 108 5.951 -5.642 -1.933 764 1HB CYS 108 2HB CYS 108 5.916 -5.463 -4.919 765 2HB CYS 108 1HB CYS 108 5.048 -4.241 -3.991 766 H ALA 109 H ALA 109 3.780 -4.491 -1.785 767 HA ALA 109 HA ALA 109 1.546 -6.348 -2.522 768 1HB ALA 109 1HB ALA 109 1.366 -4.713 -0.025 769 2HB ALA 109 2HB ALA 109 2.372 -6.159 0.001 770 3HB ALA 109 3HB ALA 109 0.657 -6.285 -0.390 771 H SER 110 H SER 110 -0.314 -5.396 -3.235 772 HA SER 110 HA SER 110 -0.563 -2.433 -3.174 773 1HB SER 110 2HB SER 110 -1.474 -3.096 -5.715 774 2HB SER 110 1HB SER 110 0.083 -2.360 -5.360 775 HG SER 110 HG SER 110 0.145 -5.021 -4.918 776 H LEU 111 H LEU 111 -2.853 -1.802 -3.795 777 HA LEU 111 HA LEU 111 -4.740 -3.744 -2.621 778 1HB LEU 111 2HB LEU 111 -5.137 -0.914 -3.642 779 2HB LEU 111 1HB LEU 111 -6.378 -1.874 -2.849 780 HG LEU 111 HG LEU 111 -3.890 -1.798 -1.296 781 1HD1 LEU 111 1HD1 LEU 111 -3.560 0.420 -2.115 782 2HD1 LEU 111 2HD1 LEU 111 -4.344 0.608 -0.548 783 3HD1 LEU 111 3HD1 LEU 111 -5.283 0.785 -2.030 784 1HD2 LEU 111 1HD2 LEU 111 -6.235 -2.508 -0.581 785 2HD2 LEU 111 2HD2 LEU 111 -6.657 -0.796 -0.584 786 3HD2 LEU 111 3HD2 LEU 111 -5.411 -1.396 0.511 787 H SER 112 H SER 112 -6.540 -4.583 -3.780 788 HA SER 112 HA SER 112 -6.273 -4.451 -6.765 789 1HB SER 112 2HB SER 112 -7.669 -6.641 -5.227 790 2HB SER 112 1HB SER 112 -7.043 -6.687 -6.872 791 HG SER 112 HG SER 112 -4.951 -6.160 -5.614 792 H ARG 113 H ARG 113 -7.869 -3.196 -7.655 793 HA ARG 113 HA ARG 113 -10.176 -2.276 -6.301 794 1HB ARG 113 2HB ARG 113 -9.519 -1.193 -8.348 795 2HB ARG 113 1HB ARG 113 -9.670 -2.696 -9.257 796 1HG ARG 113 2HG ARG 113 -12.058 -2.703 -9.020 797 2HG ARG 113 1HG ARG 113 -12.004 -1.400 -7.832 798 1HD ARG 113 2HD ARG 113 -11.027 0.089 -9.606 799 2HD ARG 113 1HD ARG 113 -11.290 -1.208 -10.771 800 HE ARG 113 HE ARG 113 -13.283 0.616 -9.986 801 1HH1 ARG 113 1HH2 ARG 113 -12.847 -2.442 -11.285 802 2HH1 ARG 113 2HH2 ARG 113 -14.469 -2.985 -11.013 803 1HH2 ARG 113 1HH1 ARG 113 -15.359 -0.220 -9.120 804 2HH2 ARG 113 2HH1 ARG 113 -15.891 -1.726 -9.788 805 H SER 114 H SER 114 -9.622 -5.283 -8.043 806 HA SER 114 HA SER 114 -12.294 -6.150 -8.375 807 1HB SER 114 2HB SER 114 -11.388 -8.406 -8.458 808 2HB SER 114 1HB SER 114 -10.264 -7.319 -9.267 809 HG SER 114 HG SER 114 -10.006 -8.745 -6.914 810 H THR 115 H THR 115 -10.239 -6.126 -5.512 811 HA THR 115 HA THR 115 -12.369 -7.500 -3.947 812 HB THR 115 HB THR 115 -10.664 -7.598 -2.156 813 HG1 THR 115 1HG THR 115 -9.227 -6.081 -2.308 814 1HG2 THR 115 1HG2 THR 115 -9.074 -9.100 -3.328 815 2HG2 THR 115 2HG2 THR 115 -9.685 -8.512 -4.874 816 3HG2 THR 115 3HG2 THR 115 -10.746 -9.416 -3.794 817 H ALA 116 H ALA 116 -12.521 -4.684 -4.983 818 HA ALA 116 HA ALA 116 -13.226 -2.590 -4.190 819 1HB ALA 116 1HB ALA 116 -13.711 -3.955 -1.538 820 2HB ALA 116 2HB ALA 116 -14.777 -4.209 -2.919 821 3HB ALA 116 3HB ALA 116 -14.582 -2.593 -2.240 822 H PHE 117 H PHE 117 -10.415 -3.557 -3.780 823 HA PHE 117 HA PHE 117 -8.455 -2.746 -2.798 824 1HB PHE 117 2HB PHE 117 -10.125 -0.477 -1.701 825 2HB PHE 117 1HB PHE 117 -8.415 -0.463 -2.128 826 HD1 PHE 117 1HD PHE 117 -7.719 -0.595 -4.526 827 HD2 PHE 117 2HD PHE 117 -11.828 -0.147 -3.359 828 HE1 PHE 117 1HE PHE 117 -8.294 0.129 -6.828 829 HE2 PHE 117 2HE PHE 117 -12.404 0.575 -5.661 830 HZ PHE 117 HZ PHE 117 -10.636 0.714 -7.395 831 H LEU 118 H LEU 118 -10.513 -4.395 -1.269 832 HA LEU 118 HA LEU 118 -9.797 -3.607 1.517 833 1HB LEU 118 2HB LEU 118 -11.850 -5.552 0.424 834 2HB LEU 118 1HB LEU 118 -11.535 -5.312 2.140 835 HG LEU 118 HG LEU 118 -12.398 -3.134 0.215 836 1HD1 LEU 118 1HD1 LEU 118 -14.118 -4.921 0.745 837 2HD1 LEU 118 2HD1 LEU 118 -14.575 -3.286 1.223 838 3HD1 LEU 118 3HD1 LEU 118 -13.998 -4.430 2.435 839 1HD2 LEU 118 1HD2 LEU 118 -11.324 -1.950 1.894 840 2HD2 LEU 118 2HD2 LEU 118 -11.608 -3.197 3.107 841 3HD2 LEU 118 3HD2 LEU 118 -12.916 -2.114 2.632 842 H ARG 119 H ARG 119 -8.252 -5.192 -0.731 843 HA ARG 119 HA ARG 119 -7.113 -7.144 1.180 844 1HB ARG 119 2HB ARG 119 -8.422 -7.844 -1.443 845 2HB ARG 119 1HB ARG 119 -7.095 -8.828 -0.820 846 1HG ARG 119 2HG ARG 119 -8.336 -9.139 1.303 847 2HG ARG 119 1HG ARG 119 -9.672 -8.191 0.650 848 1HD ARG 119 2HD ARG 119 -8.720 -10.493 -0.993 849 2HD ARG 119 1HD ARG 119 -9.617 -10.870 0.478 850 HE ARG 119 HE ARG 119 -11.047 -8.856 -0.934 851 1HH1 ARG 119 1HH2 ARG 119 -9.757 -11.427 -2.534 852 2HH1 ARG 119 2HH2 ARG 119 -11.254 -12.221 -2.894 853 1HH2 ARG 119 1HH1 ARG 119 -13.138 -10.187 -0.811 854 2HH2 ARG 119 2HH1 ARG 119 -13.168 -11.519 -1.918 855 H TRP 120 H TRP 120 -4.992 -7.989 0.340 856 HA TRP 120 HA TRP 120 -3.705 -5.947 -1.437 857 1HB TRP 120 2HB TRP 120 -2.310 -7.715 0.580 858 2HB TRP 120 1HB TRP 120 -1.670 -6.285 -0.228 859 HD1 TRP 120 HD TRP 120 -3.876 -4.197 0.187 860 HE1 TRP 120 1HE TRP 120 -4.488 -3.336 2.539 861 HE3 TRP 120 3HE TRP 120 -2.083 -8.042 3.022 862 HZ2 TRP 120 2HZ TRP 120 -4.248 -4.173 5.266 863 HZ3 TRP 120 3HZ TRP 120 -2.286 -7.989 5.488 864 HH2 TRP 120 HH TRP 120 -3.364 -6.063 6.614 865 H LYS 121 H LYS 121 -2.442 -6.653 -3.144 866 HA LYS 121 HA LYS 121 -2.278 -9.615 -3.576 867 1HB LYS 121 2HB LYS 121 -3.958 -8.357 -5.053 868 2HB LYS 121 1HB LYS 121 -2.561 -7.569 -5.785 869 1HG LYS 121 2HG LYS 121 -2.809 -9.392 -7.208 870 2HG LYS 121 1HG LYS 121 -1.678 -10.057 -6.030 871 1HD LYS 121 2HD LYS 121 -3.533 -11.100 -4.804 872 2HD LYS 121 1HD LYS 121 -4.693 -10.391 -5.927 873 1HE LYS 121 2HE LYS 121 -3.708 -11.651 -7.782 874 2HE LYS 121 1HE LYS 121 -2.487 -12.322 -6.702 875 1HZ LYS 121 1HZ LYS 121 -5.357 -12.649 -6.113 876 2HZ LYS 121 2HZ LYS 121 -4.045 -13.589 -5.585 877 3HZ LYS 121 3HZ LYS 121 -4.577 -13.697 -7.194 878 H ASP 122 H ASP 122 -0.358 -10.366 -4.521 879 HA ASP 122 HA ASP 122 1.952 -8.717 -3.991 880 1HB ASP 122 2HB ASP 122 1.818 -11.347 -5.492 881 2HB ASP 122 1HB ASP 122 3.254 -10.629 -4.761 882 H TYR 123 H TYR 123 3.402 -7.798 -5.525 883 HA TYR 123 HA TYR 123 2.800 -8.027 -8.394 884 1HB TYR 123 2HB TYR 123 1.935 -5.728 -6.747 885 2HB TYR 123 1HB TYR 123 2.830 -5.280 -8.198 886 HD1 TYR 123 1HD TYR 123 -0.192 -6.946 -6.900 887 HD2 TYR 123 2HD TYR 123 1.956 -5.752 -10.422 888 HE1 TYR 123 1HE TYR 123 -2.205 -7.386 -8.278 889 HE2 TYR 123 2HE TYR 123 -0.058 -6.191 -11.800 890 HH TYR 123 HH TYR 123 -3.009 -7.552 -10.357 891 H ASN 124 H ASN 124 4.540 -7.248 -9.696 892 HA ASN 124 HA ASN 124 7.142 -7.480 -8.650 893 1HB ASN 124 2HB ASN 124 6.087 -6.093 -11.119 894 2HB ASN 124 1HB ASN 124 7.812 -6.174 -10.762 895 1HD2 ASN 124 1HD2 ASN 124 5.284 -8.672 -10.206 896 2HD2 ASN 124 2HD2 ASN 124 6.020 -9.850 -11.184 897 H CYS 125 H CYS 125 8.178 -6.188 -7.246 898 HA CYS 125 HA CYS 125 7.277 -3.741 -6.235 899 1HB CYS 125 2HB CYS 125 10.075 -4.861 -6.457 900 2HB CYS 125 1HB CYS 125 9.712 -3.373 -5.583 901 H ASN 126 H ASN 126 8.623 -4.268 -9.353 902 HA ASN 126 HA ASN 126 9.574 -1.466 -9.549 903 1HB ASN 126 2HB ASN 126 10.953 -3.250 -10.551 904 2HB ASN 126 1HB ASN 126 9.609 -3.703 -11.601 905 1HD2 ASN 126 1HD2 ASN 126 12.053 -1.208 -11.002 906 2HD2 ASN 126 2HD2 ASN 126 11.825 -0.384 -12.469 907 H VAL 127 H VAL 127 6.891 -3.482 -10.693 908 HA VAL 127 HA VAL 127 5.914 -1.787 -12.749 909 HB VAL 127 HB VAL 127 4.504 -3.577 -10.753 910 1HG1 VAL 127 1HG1 VAL 127 3.318 -1.817 -12.910 911 2HG1 VAL 127 2HG1 VAL 127 2.844 -1.926 -11.216 912 3HG1 VAL 127 3HG1 VAL 127 2.492 -3.257 -12.316 913 1HG2 VAL 127 1HG2 VAL 127 5.942 -4.420 -12.733 914 2HG2 VAL 127 2HG2 VAL 127 4.643 -3.818 -13.761 915 3HG2 VAL 127 3HG2 VAL 127 4.313 -5.080 -12.575 916 H ARG 128 H ARG 128 5.114 0.322 -12.631 917 HA ARG 128 HA ARG 128 5.008 1.532 -9.967 918 1HB ARG 128 2HB ARG 128 4.324 2.867 -12.581 919 2HB ARG 128 1HB ARG 128 4.998 3.592 -11.129 920 1HG ARG 128 2HG ARG 128 7.033 2.088 -11.489 921 2HG ARG 128 1HG ARG 128 6.375 1.765 -13.094 922 1HD ARG 128 2HD ARG 128 6.267 4.304 -13.400 923 2HD ARG 128 1HD ARG 128 7.265 4.419 -11.952 924 HE ARG 128 HE ARG 128 9.091 3.830 -13.305 925 1HH1 ARG 128 1HH2 ARG 128 6.328 3.630 -15.201 926 2HH1 ARG 128 2HH2 ARG 128 6.977 2.496 -16.339 927 1HH2 ARG 128 1HH1 ARG 128 9.867 1.917 -14.514 928 2HH2 ARG 128 2HH1 ARG 128 8.980 1.527 -15.950 929 H LEU 129 H LEU 129 3.060 2.502 -9.022 930 HA LEU 129 HA LEU 129 0.584 1.974 -10.628 931 1HB LEU 129 2HB LEU 129 1.287 0.767 -7.965 932 2HB LEU 129 1HB LEU 129 -0.395 1.092 -8.345 933 HG LEU 129 HG LEU 129 0.807 -0.218 -10.610 934 1HD1 LEU 129 1HD1 LEU 129 1.337 -2.392 -9.507 935 2HD1 LEU 129 2HD1 LEU 129 1.212 -1.594 -7.939 936 3HD1 LEU 129 3HD1 LEU 129 2.476 -1.119 -9.073 937 1HD2 LEU 129 1HD2 LEU 129 -0.941 -1.912 -10.040 938 2HD2 LEU 129 2HD2 LEU 129 -1.564 -0.265 -10.089 939 3HD2 LEU 129 3HD2 LEU 129 -1.242 -1.041 -8.538 940 HA PRO 130 HA PRO 130 -0.683 5.796 -8.777 941 1HB PRO 130 2HB PRO 130 -3.325 4.884 -8.028 942 2HB PRO 130 1HB PRO 130 -2.885 5.903 -9.401 943 1HG PRO 130 2HG PRO 130 -3.702 3.134 -9.427 944 2HG PRO 130 1HG PRO 130 -3.348 4.184 -10.802 945 1HD PRO 130 2HD PRO 130 -1.773 1.993 -9.856 946 2HD PRO 130 1HD PRO 130 -1.339 3.151 -11.138 947 H TYR 131 H TYR 131 -0.443 6.454 -6.502 948 HA TYR 131 HA TYR 131 -0.977 4.292 -4.503 949 1HB TYR 131 2HB TYR 131 1.232 4.507 -3.551 950 2HB TYR 131 1HB TYR 131 1.401 4.207 -5.279 951 HD1 TYR 131 1HD TYR 131 1.532 6.312 -6.823 952 HD2 TYR 131 2HD TYR 131 2.317 6.363 -2.600 953 HE1 TYR 131 1HE TYR 131 2.805 8.424 -7.086 954 HE2 TYR 131 2HE TYR 131 3.593 8.473 -2.865 955 HH TYR 131 HH TYR 131 4.907 9.581 -4.921 956 H VAL 132 H VAL 132 -0.397 5.136 -2.212 957 HA VAL 132 HA VAL 132 -1.397 7.961 -1.955 958 HB VAL 132 HB VAL 132 -1.893 5.569 -0.151 959 1HG1 VAL 132 1HG1 VAL 132 -3.285 7.171 1.162 960 2HG1 VAL 132 2HG1 VAL 132 -2.684 8.483 0.150 961 3HG1 VAL 132 3HG1 VAL 132 -1.575 7.595 1.192 962 1HG2 VAL 132 1HG2 VAL 132 -3.230 5.891 -2.338 963 2HG2 VAL 132 2HG2 VAL 132 -3.932 7.302 -1.545 964 3HG2 VAL 132 3HG2 VAL 132 -4.153 5.699 -0.847 965 H CYS 133 H CYS 133 -0.455 9.111 -0.083 966 HA CYS 133 HA CYS 133 2.057 7.858 0.950 967 1HB CYS 133 2HB CYS 133 2.679 9.292 -0.933 968 2HB CYS 133 1HB CYS 133 1.773 10.634 -0.241 969 H LYS 134 H LYS 134 2.274 8.117 3.135 970 HA LYS 134 HA LYS 134 0.415 10.029 4.483 971 1HB LYS 134 2HB LYS 134 0.554 8.666 6.391 972 2HB LYS 134 1HB LYS 134 0.625 7.490 5.080 973 1HG LYS 134 2HG LYS 134 3.193 7.765 5.227 974 2HG LYS 134 1HG LYS 134 2.887 8.530 6.787 975 1HD LYS 134 2HD LYS 134 1.466 6.436 7.321 976 2HD LYS 134 1HD LYS 134 2.278 5.699 5.939 977 1HE LYS 134 2HE LYS 134 3.430 6.577 8.565 978 2HE LYS 134 1HE LYS 134 3.726 5.095 7.656 979 1HZ LYS 134 1HZ LYS 134 5.110 6.196 6.165 980 2HZ LYS 134 2HZ LYS 134 5.545 6.851 7.671 981 3HZ LYS 134 3HZ LYS 134 4.551 7.732 6.615 982 H PHE 135 H PHE 135 1.302 11.464 6.158 983 HA PHE 135 HA PHE 135 4.119 11.663 6.695 984 1HB PHE 135 2HB PHE 135 4.668 13.661 5.348 985 2HB PHE 135 1HB PHE 135 4.295 12.278 4.324 986 HD1 PHE 135 1HD PHE 135 2.069 12.124 3.183 987 HD2 PHE 135 2HD PHE 135 3.278 15.618 5.373 988 HE1 PHE 135 1HE PHE 135 0.279 13.437 2.077 989 HE2 PHE 135 2HE PHE 135 1.487 16.930 4.264 990 HZ PHE 135 HZ PHE 135 -0.009 15.839 2.616 991 H THR 136 H THR 136 4.046 12.626 8.661 992 HA THR 136 HA THR 136 1.809 14.367 9.391 993 HB THR 136 HB THR 136 4.270 14.052 11.089 994 HG1 THR 136 1HG THR 136 3.826 12.012 11.504 995 1HG2 THR 136 1HG2 THR 136 1.354 13.860 11.845 996 2HG2 THR 136 2HG2 THR 136 2.174 15.414 11.687 997 3HG2 THR 136 3HG2 THR 136 2.728 14.241 12.882 998 H ASP 137 H ASP 137 3.827 15.929 11.138 999 HA ASP 137 HA ASP 137 4.102 18.160 9.269 1000 1HB ASP 137 2HB ASP 137 3.520 18.611 11.601 1001 2HB ASP 137 1HB ASP 137 5.001 17.823 12.148 Start of MODEL 10 1 1H ARG 1 1HT ARG 1 -4.120 22.755 10.457 2 2H ARG 1 2HT ARG 1 -3.416 21.278 9.999 3 3H ARG 1 3HT ARG 1 -5.107 21.425 10.091 4 HA ARG 1 HA ARG 1 -5.291 22.461 8.109 5 1HB ARG 1 2HB ARG 1 -3.806 24.337 9.064 6 2HB ARG 1 1HB ARG 1 -2.457 23.496 8.299 7 1HG ARG 1 2HG ARG 1 -3.900 23.543 6.151 8 2HG ARG 1 1HG ARG 1 -4.863 24.761 6.987 9 1HD ARG 1 2HD ARG 1 -1.886 24.911 6.432 10 2HD ARG 1 1HD ARG 1 -3.143 25.858 5.636 11 HE ARG 1 HE ARG 1 -3.513 26.457 8.299 12 1HH1 ARG 1 1HH2 ARG 1 -1.871 27.807 5.844 13 2HH1 ARG 1 2HH2 ARG 1 -0.577 28.483 6.777 14 1HH2 ARG 1 1HH1 ARG 1 -1.384 26.730 9.658 15 2HH2 ARG 1 2HH1 ARG 1 -0.302 27.873 8.936 16 H CYS 2 H CYS 2 -5.070 21.302 6.237 17 HA CYS 2 HA CYS 2 -2.542 19.935 5.644 18 1HB CYS 2 2HB CYS 2 -4.825 18.585 6.804 19 2HB CYS 2 1HB CYS 2 -4.508 17.948 5.191 20 HA PRO 3 HA PRO 3 -3.594 20.859 1.463 21 1HB PRO 3 2HB PRO 3 -3.140 18.218 0.409 22 2HB PRO 3 1HB PRO 3 -2.070 19.620 0.344 23 1HG PRO 3 2HG PRO 3 -1.821 17.252 1.980 24 2HG PRO 3 1HG PRO 3 -0.693 18.603 1.822 25 1HD PRO 3 2HD PRO 3 -2.321 17.988 4.081 26 2HD PRO 3 1HD PRO 3 -1.332 19.448 3.840 27 H LYS 4 H LYS 4 -5.188 20.353 -0.257 28 HA LYS 4 HA LYS 4 -7.664 19.326 0.836 29 1HB LYS 4 2HB LYS 4 -7.014 20.216 -1.986 30 2HB LYS 4 1HB LYS 4 -8.629 19.964 -1.328 31 1HG LYS 4 2HG LYS 4 -6.753 21.863 0.059 32 2HG LYS 4 1HG LYS 4 -7.612 22.395 -1.386 33 1HD LYS 4 2HD LYS 4 -9.762 21.797 -0.345 34 2HD LYS 4 1HD LYS 4 -8.915 21.243 1.100 35 1HE LYS 4 2HE LYS 4 -9.844 23.598 1.249 36 2HE LYS 4 1HE LYS 4 -8.119 23.459 1.584 37 1HZ LYS 4 1HZ LYS 4 -7.560 24.385 -0.429 38 2HZ LYS 4 2HZ LYS 4 -8.963 25.262 -0.042 39 3HZ LYS 4 3HZ LYS 4 -9.038 23.986 -1.160 40 H GLY 5 H GLY 5 -8.776 17.460 0.062 41 1HA GLY 5 2HA GLY 5 -8.974 15.338 -0.958 42 2HA GLY 5 1HA GLY 5 -7.556 15.729 -1.942 43 H SER 6 H SER 6 -6.489 16.588 0.915 44 HA SER 6 HA SER 6 -5.161 13.971 1.377 45 1HB SER 6 2HB SER 6 -3.542 15.164 2.611 46 2HB SER 6 1HB SER 6 -3.994 16.295 1.339 47 HG SER 6 HG SER 6 -5.503 17.192 2.863 48 H LYS 7 H LYS 7 -5.553 12.691 3.183 49 HA LYS 7 HA LYS 7 -7.540 13.756 5.168 50 1HB LYS 7 2HB LYS 7 -7.343 10.816 4.736 51 2HB LYS 7 1HB LYS 7 -8.759 11.810 5.066 52 1HG LYS 7 2HG LYS 7 -8.100 12.738 2.591 53 2HG LYS 7 1HG LYS 7 -7.524 11.077 2.464 54 1HD LYS 7 2HD LYS 7 -9.783 10.975 1.759 55 2HD LYS 7 1HD LYS 7 -9.818 10.400 3.428 56 1HE LYS 7 2HE LYS 7 -11.399 11.990 3.785 57 2HE LYS 7 1HE LYS 7 -10.078 13.158 3.698 58 1HZ LYS 7 1HZ LYS 7 -10.468 13.488 1.403 59 2HZ LYS 7 2HZ LYS 7 -11.981 13.592 2.168 60 3HZ LYS 7 3HZ LYS 7 -11.552 12.186 1.315 61 H ALA 8 H ALA 8 -6.897 13.633 7.289 62 HA ALA 8 HA ALA 8 -4.248 12.442 7.836 63 1HB ALA 8 1HB ALA 8 -4.634 13.454 10.134 64 2HB ALA 8 2HB ALA 8 -6.129 14.137 9.492 65 3HB ALA 8 3HB ALA 8 -4.575 14.610 8.803 66 H TYR 9 H TYR 9 -3.977 10.518 8.818 67 HA TYR 9 HA TYR 9 -6.206 9.360 10.413 68 1HB TYR 9 2HB TYR 9 -6.219 8.514 7.984 69 2HB TYR 9 1HB TYR 9 -4.694 7.715 8.371 70 HD1 TYR 9 1HD TYR 9 -8.317 7.797 9.003 71 HD2 TYR 9 2HD TYR 9 -4.603 5.880 9.995 72 HE1 TYR 9 1HE TYR 9 -9.562 5.940 10.076 73 HE2 TYR 9 2HE TYR 9 -5.849 4.023 11.067 74 HH TYR 9 HH TYR 9 -8.725 3.200 10.554 75 H GLY 10 H GLY 10 -5.443 7.874 12.025 76 1HA GLY 10 2HA GLY 10 -3.866 7.027 13.546 77 2HA GLY 10 1HA GLY 10 -2.739 6.955 12.190 78 H SER 11 H SER 11 -1.761 9.134 11.552 79 HA SER 11 HA SER 11 -1.809 11.358 13.347 80 1HB SER 11 2HB SER 11 0.259 9.234 13.860 81 2HB SER 11 1HB SER 11 0.631 10.925 14.188 82 HG SER 11 HG SER 11 -0.484 10.708 15.942 83 H HIS 12 H HIS 12 -1.571 10.594 10.431 84 HA HIS 12 HA HIS 12 0.585 12.515 9.793 85 1HB HIS 12 2HB HIS 12 0.350 9.843 8.385 86 2HB HIS 12 1HB HIS 12 1.584 11.073 8.132 87 HD1 HIS 12 1HD HIS 12 3.680 10.773 9.444 88 HD2 HIS 12 2HD HIS 12 0.468 8.788 11.212 89 HE1 HIS 12 1HE HIS 12 4.621 9.514 11.430 90 H CYS 13 H CYS 13 0.291 13.443 7.639 91 HA CYS 13 HA CYS 13 -2.548 13.489 6.855 92 1HB CYS 13 2HB CYS 13 -0.751 15.473 6.966 93 2HB CYS 13 1HB CYS 13 -0.464 14.965 5.303 94 H TYR 14 H TYR 14 -3.337 12.250 5.210 95 HA TYR 14 HA TYR 14 -1.371 10.794 3.530 96 1HB TYR 14 2HB TYR 14 -4.312 10.321 4.057 97 2HB TYR 14 1HB TYR 14 -3.346 9.364 2.936 98 HD1 TYR 14 1HD TYR 14 -3.195 10.634 6.470 99 HD2 TYR 14 2HD TYR 14 -2.325 7.426 3.749 100 HE1 TYR 14 1HE TYR 14 -2.361 9.264 8.351 101 HE2 TYR 14 2HE TYR 14 -1.493 6.055 5.641 102 HH TYR 14 HH TYR 14 -0.584 6.402 7.903 103 H ALA 15 H ALA 15 -1.661 10.698 1.225 104 HA ALA 15 HA ALA 15 -3.596 12.570 0.013 105 1HB ALA 15 1HB ALA 15 -0.590 12.882 -0.246 106 2HB ALA 15 2HB ALA 15 -1.724 14.056 0.422 107 3HB ALA 15 3HB ALA 15 -1.755 13.682 -1.301 108 H LEU 16 H LEU 16 -4.439 11.497 -1.683 109 HA LEU 16 HA LEU 16 -3.092 9.133 -2.770 110 1HB LEU 16 2HB LEU 16 -5.467 8.964 -2.530 111 2HB LEU 16 1HB LEU 16 -5.728 10.507 -3.339 112 HG LEU 16 HG LEU 16 -4.908 9.555 -5.453 113 1HD1 LEU 16 1HD1 LEU 16 -4.420 7.152 -3.697 114 2HD1 LEU 16 2HD1 LEU 16 -3.321 7.918 -4.838 115 3HD1 LEU 16 3HD1 LEU 16 -4.676 6.964 -5.429 116 1HD2 LEU 16 1HD2 LEU 16 -7.268 9.365 -5.137 117 2HD2 LEU 16 2HD2 LEU 16 -7.077 8.027 -4.004 118 3HD2 LEU 16 3HD2 LEU 16 -6.735 7.785 -5.717 119 H PHE 17 H PHE 17 -1.984 9.043 -4.700 120 HA PHE 17 HA PHE 17 -1.974 11.489 -6.413 121 1HB PHE 17 2HB PHE 17 0.314 9.681 -5.581 122 2HB PHE 17 1HB PHE 17 0.423 10.791 -6.947 123 HD1 PHE 17 1HD PHE 17 -0.009 13.272 -6.543 124 HD2 PHE 17 2HD PHE 17 0.587 10.454 -3.356 125 HE1 PHE 17 1HE PHE 17 0.505 15.137 -4.991 126 HE2 PHE 17 2HE PHE 17 1.102 12.319 -1.805 127 HZ PHE 17 HZ PHE 17 1.060 14.659 -2.621 128 H LEU 18 H LEU 18 -2.954 10.930 -8.283 129 HA LEU 18 HA LEU 18 -3.286 8.178 -9.108 130 1HB LEU 18 2HB LEU 18 -3.617 10.557 -10.939 131 2HB LEU 18 1HB LEU 18 -4.520 9.042 -10.928 132 HG LEU 18 HG LEU 18 -4.664 11.264 -8.872 133 1HD1 LEU 18 1HD1 LEU 18 -6.815 10.039 -10.620 134 2HD1 LEU 18 2HD1 LEU 18 -5.940 11.512 -11.034 135 3HD1 LEU 18 3HD1 LEU 18 -6.961 11.469 -9.597 136 1HD2 LEU 18 1HD2 LEU 18 -6.437 9.760 -7.843 137 2HD2 LEU 18 2HD2 LEU 18 -4.781 9.186 -7.662 138 3HD2 LEU 18 3HD2 LEU 18 -5.831 8.467 -8.879 139 H SER 19 H SER 19 -0.588 9.744 -8.830 140 HA SER 19 HA SER 19 0.488 9.321 -11.549 141 1HB SER 19 2HB SER 19 2.547 9.874 -9.623 142 2HB SER 19 1HB SER 19 1.993 10.865 -10.968 143 HG SER 19 HG SER 19 1.535 11.154 -8.335 144 HA PRO 20 HA PRO 20 1.549 5.097 -10.405 145 1HB PRO 20 2HB PRO 20 3.208 4.911 -12.741 146 2HB PRO 20 1HB PRO 20 1.589 4.251 -12.499 147 1HG PRO 20 2HG PRO 20 2.367 6.463 -14.154 148 2HG PRO 20 1HG PRO 20 0.749 5.798 -13.918 149 1HD PRO 20 2HD PRO 20 1.806 8.291 -12.946 150 2HD PRO 20 1HD PRO 20 0.166 7.627 -12.721 151 H LYS 21 H LYS 21 3.409 4.087 -9.465 152 HA LYS 21 HA LYS 21 6.078 5.203 -9.881 153 1HB LYS 21 2HB LYS 21 4.541 5.754 -7.343 154 2HB LYS 21 1HB LYS 21 6.303 5.669 -7.332 155 1HG LYS 21 2HG LYS 21 6.113 7.353 -9.354 156 2HG LYS 21 1HG LYS 21 4.509 7.665 -8.689 157 1HD LYS 21 2HD LYS 21 5.679 7.992 -6.430 158 2HD LYS 21 1HD LYS 21 7.186 8.044 -7.342 159 1HE LYS 21 2HE LYS 21 6.207 9.880 -8.745 160 2HE LYS 21 1HE LYS 21 4.802 9.885 -7.678 161 1HZ LYS 21 1HZ LYS 21 6.708 10.065 -5.877 162 2HZ LYS 21 2HZ LYS 21 6.049 11.436 -6.633 163 3HZ LYS 21 3HZ LYS 21 7.528 10.794 -7.171 164 H SER 22 H SER 22 7.476 3.494 -9.667 165 HA SER 22 HA SER 22 6.741 0.873 -9.041 166 1HB SER 22 2HB SER 22 9.407 2.242 -8.632 167 2HB SER 22 1HB SER 22 9.170 0.502 -8.506 168 HG SER 22 HG SER 22 9.019 2.192 -10.740 169 H TRP 23 H TRP 23 6.826 -0.395 -7.096 170 HA TRP 23 HA TRP 23 5.954 0.895 -4.723 171 1HB TRP 23 2HB TRP 23 5.601 -1.502 -5.039 172 2HB TRP 23 1HB TRP 23 7.342 -1.785 -5.058 173 HD1 TRP 23 HD TRP 23 4.424 -1.383 -2.754 174 HE1 TRP 23 1HE TRP 23 5.214 -1.532 -0.304 175 HE3 TRP 23 3HE TRP 23 9.481 -1.161 -3.439 176 HZ2 TRP 23 2HZ TRP 23 7.664 -1.554 1.171 177 HZ3 TRP 23 3HZ TRP 23 11.018 -1.247 -1.496 178 HH2 TRP 23 HH TRP 23 10.116 -1.444 0.806 179 H THR 24 H THR 24 9.085 0.438 -6.069 180 HA THR 24 HA THR 24 10.471 1.080 -3.535 181 HB THR 24 HB THR 24 11.318 -0.609 -5.261 182 HG1 THR 24 1HG THR 24 12.793 1.540 -4.223 183 1HG2 THR 24 1HG2 THR 24 10.821 1.242 -7.108 184 2HG2 THR 24 2HG2 THR 24 12.137 0.086 -7.308 185 3HG2 THR 24 3HG2 THR 24 12.476 1.719 -6.733 186 H ASP 25 H ASP 25 9.217 2.608 -6.307 187 HA ASP 25 HA ASP 25 10.937 4.991 -6.115 188 1HB ASP 25 2HB ASP 25 10.246 4.348 -8.339 189 2HB ASP 25 1HB ASP 25 8.551 4.311 -7.853 190 H ALA 26 H ALA 26 7.550 4.070 -5.466 191 HA ALA 26 HA ALA 26 6.853 6.715 -4.497 192 1HB ALA 26 1HB ALA 26 5.275 4.868 -5.385 193 2HB ALA 26 2HB ALA 26 4.758 5.743 -3.946 194 3HB ALA 26 3HB ALA 26 5.461 4.132 -3.798 195 H ASP 27 H ASP 27 8.160 3.737 -3.238 196 HA ASP 27 HA ASP 27 7.829 4.265 -0.450 197 1HB ASP 27 2HB ASP 27 8.432 2.057 -1.226 198 2HB ASP 27 1HB ASP 27 9.895 2.680 -1.990 199 H LEU 28 H LEU 28 10.430 5.054 -2.745 200 HA LEU 28 HA LEU 28 12.093 6.324 -0.740 201 1HB LEU 28 2HB LEU 28 12.619 5.387 -3.199 202 2HB LEU 28 1HB LEU 28 12.346 7.076 -3.623 203 HG LEU 28 HG LEU 28 14.321 6.038 -1.566 204 1HD1 LEU 28 1HD1 LEU 28 14.948 5.764 -3.976 205 2HD1 LEU 28 2HD1 LEU 28 16.010 6.870 -3.107 206 3HD1 LEU 28 3HD1 LEU 28 14.766 7.506 -4.183 207 1HD2 LEU 28 1HD2 LEU 28 13.390 8.812 -2.310 208 2HD2 LEU 28 2HD2 LEU 28 15.008 8.548 -1.658 209 3HD2 LEU 28 3HD2 LEU 28 13.592 8.112 -0.704 210 H ALA 29 H ALA 29 9.845 7.551 -3.230 211 HA ALA 29 HA ALA 29 10.289 10.328 -2.627 212 1HB ALA 29 1HB ALA 29 7.860 8.972 -3.833 213 2HB ALA 29 2HB ALA 29 9.243 9.599 -4.729 214 3HB ALA 29 3HB ALA 29 8.180 10.706 -3.861 215 H CYS 30 H CYS 30 7.602 8.129 -1.647 216 HA CYS 30 HA CYS 30 6.385 10.058 0.078 217 1HB CYS 30 2HB CYS 30 5.286 7.947 -0.700 218 2HB CYS 30 1HB CYS 30 6.348 7.041 0.375 219 H GLN 31 H GLN 31 9.253 8.186 0.336 220 HA GLN 31 HA GLN 31 9.400 8.327 3.263 221 1HB GLN 31 2HB GLN 31 10.544 6.467 2.220 222 2HB GLN 31 1HB GLN 31 11.416 7.547 1.136 223 1HG GLN 31 2HG GLN 31 12.738 8.429 2.902 224 2HG GLN 31 1HG GLN 31 11.676 7.753 4.138 225 1HE2 GLN 31 1HE2 GLN 31 14.545 7.173 2.376 226 2HE2 GLN 31 2HE2 GLN 31 14.723 5.527 2.748 227 H LYS 32 H LYS 32 10.510 10.095 0.459 228 HA LYS 32 HA LYS 32 12.379 11.804 1.754 229 1HB LYS 32 2HB LYS 32 12.371 11.694 -0.650 230 2HB LYS 32 1HB LYS 32 10.672 12.154 -0.721 231 1HG LYS 32 2HG LYS 32 11.116 14.382 -0.126 232 2HG LYS 32 1HG LYS 32 12.694 13.984 0.553 233 1HD LYS 32 2HD LYS 32 12.969 15.107 -1.613 234 2HD LYS 32 1HD LYS 32 13.516 13.433 -1.722 235 1HE LYS 32 2HE LYS 32 12.053 14.211 -3.646 236 2HE LYS 32 1HE LYS 32 11.495 12.754 -2.823 237 1HZ LYS 32 1HZ LYS 32 9.680 14.296 -3.162 238 2HZ LYS 32 2HZ LYS 32 10.520 15.516 -2.330 239 3HZ LYS 32 3HZ LYS 32 9.997 14.126 -1.503 240 H ARG 33 H ARG 33 9.139 11.431 2.305 241 HA ARG 33 HA ARG 33 8.543 14.272 2.844 242 1HB ARG 33 2HB ARG 33 7.004 11.742 2.658 243 2HB ARG 33 1HB ARG 33 6.387 12.928 3.800 244 1HG ARG 33 2HG ARG 33 5.348 13.299 1.626 245 2HG ARG 33 1HG ARG 33 6.438 14.641 1.971 246 1HD ARG 33 2HD ARG 33 8.171 13.648 0.571 247 2HD ARG 33 1HD ARG 33 7.167 12.225 0.293 248 HE ARG 33 HE ARG 33 5.899 14.736 -0.513 249 1HH1 ARG 33 1HH2 ARG 33 8.646 14.113 -1.888 250 2HH1 ARG 33 2HH2 ARG 33 8.078 13.390 -3.356 251 1HH2 ARG 33 1HH1 ARG 33 4.844 12.935 -2.188 252 2HH2 ARG 33 2HH1 ARG 33 5.924 12.724 -3.526 253 HA PRO 34 HA PRO 34 9.548 14.455 7.113 254 1HB PRO 34 2HB PRO 34 6.861 14.904 8.082 255 2HB PRO 34 1HB PRO 34 8.163 16.079 7.877 256 1HG PRO 34 2HG PRO 34 5.817 15.636 6.200 257 2HG PRO 34 1HG PRO 34 6.967 16.979 6.170 258 1HD PRO 34 2HD PRO 34 6.753 15.007 4.203 259 2HD PRO 34 1HD PRO 34 8.174 16.047 4.447 260 H SER 35 H SER 35 9.940 12.095 6.998 261 HA SER 35 HA SER 35 9.733 9.969 7.934 262 1HB SER 35 2HB SER 35 7.378 10.871 9.567 263 2HB SER 35 1HB SER 35 8.677 9.763 10.006 264 HG SER 35 HG SER 35 10.060 11.715 9.794 265 H GLY 36 H GLY 36 7.900 11.191 5.728 266 1HA GLY 36 2HA GLY 36 5.461 9.640 5.877 267 2HA GLY 36 1HA GLY 36 6.076 10.449 4.435 268 H ASN 37 H ASN 37 5.076 8.207 3.724 269 HA ASN 37 HA ASN 37 6.972 6.629 2.476 270 1HB ASN 37 2HB ASN 37 6.747 5.959 5.357 271 2HB ASN 37 1HB ASN 37 6.601 4.579 4.274 272 1HD2 ASN 37 1HD2 ASN 37 8.880 6.450 5.903 273 2HD2 ASN 37 2HD2 ASN 37 10.241 6.073 4.958 274 H LEU 38 H LEU 38 5.904 5.017 1.230 275 HA LEU 38 HA LEU 38 3.383 5.089 0.425 276 1HB LEU 38 2HB LEU 38 4.865 2.589 1.228 277 2HB LEU 38 1HB LEU 38 3.306 2.525 0.409 278 HG LEU 38 HG LEU 38 5.620 4.139 -0.661 279 1HD1 LEU 38 1HD1 LEU 38 6.244 1.716 -0.436 280 2HD1 LEU 38 2HD1 LEU 38 6.188 2.277 -2.107 281 3HD1 LEU 38 3HD1 LEU 38 4.862 1.314 -1.457 282 1HD2 LEU 38 1HD2 LEU 38 2.864 3.710 -1.402 283 2HD2 LEU 38 2HD2 LEU 38 3.918 3.106 -2.676 284 3HD2 LEU 38 3HD2 LEU 38 4.054 4.777 -2.132 285 H VAL 39 H VAL 39 1.315 4.871 1.151 286 HA VAL 39 HA VAL 39 0.484 5.251 3.715 287 HB VAL 39 HB VAL 39 -1.160 5.260 2.020 288 1HG1 VAL 39 1HG1 VAL 39 -0.101 3.711 0.462 289 2HG1 VAL 39 2HG1 VAL 39 -1.758 3.185 0.761 290 3HG1 VAL 39 3HG1 VAL 39 -0.415 2.359 1.552 291 1HG2 VAL 39 1HG2 VAL 39 -2.919 4.006 2.988 292 2HG2 VAL 39 2HG2 VAL 39 -1.796 4.253 4.321 293 3HG2 VAL 39 3HG2 VAL 39 -1.835 2.705 3.480 294 H SER 40 H SER 40 -0.164 4.008 5.483 295 HA SER 40 HA SER 40 1.087 1.292 5.656 296 1HB SER 40 2HB SER 40 2.017 2.192 7.521 297 2HB SER 40 1HB SER 40 0.961 3.599 7.446 298 HG SER 40 HG SER 40 0.067 2.692 9.124 299 H VAL 41 H VAL 41 -0.195 -0.095 7.427 300 HA VAL 41 HA VAL 41 -3.053 0.403 7.595 301 HB VAL 41 HB VAL 41 -2.989 -2.137 6.271 302 1HG1 VAL 41 1HG1 VAL 41 -4.914 -0.655 6.344 303 2HG1 VAL 41 2HG1 VAL 41 -4.470 -0.965 4.664 304 3HG1 VAL 41 3HG1 VAL 41 -4.042 0.569 5.420 305 1HG2 VAL 41 1HG2 VAL 41 -0.822 -1.080 5.287 306 2HG2 VAL 41 2HG2 VAL 41 -1.917 0.008 4.438 307 3HG2 VAL 41 3HG2 VAL 41 -2.015 -1.729 4.166 308 H LEU 42 H LEU 42 -2.531 0.037 9.847 309 HA LEU 42 HA LEU 42 -1.904 -2.821 10.521 310 1HB LEU 42 2HB LEU 42 -1.377 -0.270 12.056 311 2HB LEU 42 1HB LEU 42 -1.202 -1.879 12.754 312 HG LEU 42 HG LEU 42 0.189 -1.088 10.196 313 1HD1 LEU 42 1HD1 LEU 42 1.052 -0.720 13.072 314 2HD1 LEU 42 2HD1 LEU 42 1.032 0.484 11.784 315 3HD1 LEU 42 3HD1 LEU 42 2.216 -0.822 11.753 316 1HD2 LEU 42 1HD2 LEU 42 0.108 -3.471 10.566 317 2HD2 LEU 42 2HD2 LEU 42 0.553 -3.275 12.257 318 3HD2 LEU 42 3HD2 LEU 42 1.731 -2.940 10.995 319 H SER 43 H SER 43 -4.558 -1.109 10.113 320 HA SER 43 HA SER 43 -5.894 -2.369 12.464 321 1HB SER 43 2HB SER 43 -6.243 0.506 11.572 322 2HB SER 43 1HB SER 43 -7.292 -0.308 12.728 323 HG SER 43 HG SER 43 -4.489 0.103 12.954 324 H GLY 44 H GLY 44 -8.045 -3.008 12.058 325 1HA GLY 44 2HA GLY 44 -8.695 -3.635 9.337 326 2HA GLY 44 1HA GLY 44 -9.801 -3.784 10.705 327 H ALA 45 H ALA 45 -9.176 -0.825 11.270 328 HA ALA 45 HA ALA 45 -11.377 0.221 9.619 329 1HB ALA 45 1HB ALA 45 -11.242 2.181 11.047 330 2HB ALA 45 2HB ALA 45 -9.688 1.649 11.693 331 3HB ALA 45 3HB ALA 45 -11.155 0.745 12.067 332 H GLU 46 H GLU 46 -7.883 0.527 9.893 333 HA GLU 46 HA GLU 46 -7.672 2.830 8.145 334 1HB GLU 46 2HB GLU 46 -5.916 2.036 9.815 335 2HB GLU 46 1HB GLU 46 -5.532 0.754 8.666 336 1HG GLU 46 2HG GLU 46 -4.976 2.387 6.952 337 2HG GLU 46 1HG GLU 46 -5.493 3.710 7.998 338 H GLY 47 H GLY 47 -7.459 -0.690 7.690 339 1HA GLY 47 2HA GLY 47 -6.685 -0.614 4.932 340 2HA GLY 47 1HA GLY 47 -7.512 -1.965 5.711 341 H SER 48 H SER 48 -9.792 -0.319 6.549 342 HA SER 48 HA SER 48 -11.284 -0.402 4.017 343 1HB SER 48 2HB SER 48 -13.218 -0.303 5.334 344 2HB SER 48 1HB SER 48 -12.092 -1.124 6.410 345 HG SER 48 HG SER 48 -12.918 0.510 7.601 346 H PHE 49 H PHE 49 -9.931 1.959 6.224 347 HA PHE 49 HA PHE 49 -11.338 4.247 5.159 348 1HB PHE 49 2HB PHE 49 -10.106 4.113 7.392 349 2HB PHE 49 1HB PHE 49 -8.611 4.274 6.472 350 HD1 PHE 49 1HD PHE 49 -7.908 6.379 5.610 351 HD2 PHE 49 2HD PHE 49 -11.862 5.923 7.226 352 HE1 PHE 49 1HE PHE 49 -8.233 8.834 5.509 353 HE2 PHE 49 2HE PHE 49 -12.186 8.380 7.125 354 HZ PHE 49 HZ PHE 49 -10.371 9.835 6.266 355 H VAL 50 H VAL 50 -8.041 2.948 4.610 356 HA VAL 50 HA VAL 50 -7.306 4.842 2.615 357 HB VAL 50 HB VAL 50 -6.445 1.936 2.807 358 1HG1 VAL 50 1HG1 VAL 50 -5.167 4.366 1.520 359 2HG1 VAL 50 2HG1 VAL 50 -5.859 2.984 0.670 360 3HG1 VAL 50 3HG1 VAL 50 -4.412 2.780 1.656 361 1HG2 VAL 50 1HG2 VAL 50 -4.715 2.652 4.276 362 2HG2 VAL 50 2HG2 VAL 50 -6.170 3.439 4.888 363 3HG2 VAL 50 3HG2 VAL 50 -5.014 4.354 3.924 364 H SER 51 H SER 51 -9.028 1.749 2.413 365 HA SER 51 HA SER 51 -9.141 1.504 -0.404 366 1HB SER 51 2HB SER 51 -9.952 -0.343 0.832 367 2HB SER 51 1HB SER 51 -11.015 0.666 1.810 368 HG SER 51 HG SER 51 -12.463 0.162 0.376 369 H SER 52 H SER 52 -11.178 3.371 1.831 370 HA SER 52 HA SER 52 -13.002 4.274 -0.237 371 1HB SER 52 2HB SER 52 -13.855 4.350 1.978 372 2HB SER 52 1HB SER 52 -12.421 5.168 2.590 373 HG SER 52 HG SER 52 -14.173 6.609 2.291 374 H LEU 53 H LEU 53 -9.878 5.288 0.895 375 HA LEU 53 HA LEU 53 -10.049 7.997 -0.177 376 1HB LEU 53 2HB LEU 53 -8.493 7.753 1.585 377 2HB LEU 53 1HB LEU 53 -7.845 6.257 0.922 378 HG LEU 53 HG LEU 53 -6.899 7.551 -0.996 379 1HD1 LEU 53 1HD1 LEU 53 -6.752 10.090 -0.528 380 2HD1 LEU 53 2HD1 LEU 53 -8.087 9.838 0.596 381 3HD1 LEU 53 3HD1 LEU 53 -8.298 9.482 -1.117 382 1HD2 LEU 53 1HD2 LEU 53 -5.027 8.389 0.223 383 2HD2 LEU 53 2HD2 LEU 53 -5.668 7.070 1.202 384 3HD2 LEU 53 3HD2 LEU 53 -6.012 8.742 1.642 385 H VAL 54 H VAL 54 -9.213 4.835 -1.371 386 HA VAL 54 HA VAL 54 -8.376 6.078 -3.962 387 HB VAL 54 HB VAL 54 -6.933 4.150 -4.322 388 1HG1 VAL 54 1HG1 VAL 54 -6.433 5.019 -1.476 389 2HG1 VAL 54 2HG1 VAL 54 -6.287 6.166 -2.807 390 3HG1 VAL 54 3HG1 VAL 54 -5.261 4.732 -2.764 391 1HG2 VAL 54 1HG2 VAL 54 -8.238 3.192 -1.773 392 2HG2 VAL 54 2HG2 VAL 54 -6.647 2.601 -2.248 393 3HG2 VAL 54 3HG2 VAL 54 -8.039 2.327 -3.298 394 H LYS 55 H LYS 55 -11.052 4.987 -2.782 395 HA LYS 55 HA LYS 55 -11.716 2.687 -4.402 396 1HB LYS 55 2HB LYS 55 -12.989 3.280 -2.369 397 2HB LYS 55 1HB LYS 55 -13.539 4.764 -3.149 398 1HG LYS 55 2HG LYS 55 -14.681 3.475 -4.881 399 2HG LYS 55 1HG LYS 55 -14.065 1.969 -4.204 400 1HD LYS 55 2HD LYS 55 -15.854 3.917 -2.720 401 2HD LYS 55 1HD LYS 55 -16.418 2.446 -3.511 402 1HE LYS 55 2HE LYS 55 -14.489 1.340 -2.028 403 2HE LYS 55 1HE LYS 55 -14.795 2.754 -1.018 404 1HZ LYS 55 1HZ LYS 55 -17.127 2.174 -0.949 405 2HZ LYS 55 2HZ LYS 55 -16.185 0.874 -0.391 406 3HZ LYS 55 3HZ LYS 55 -16.857 0.833 -1.952 407 H SER 56 H SER 56 -11.724 6.139 -4.923 408 HA SER 56 HA SER 56 -13.132 5.811 -7.528 409 1HB SER 56 2HB SER 56 -12.239 8.326 -6.081 410 2HB SER 56 1HB SER 56 -13.192 8.274 -7.561 411 HG SER 56 HG SER 56 -14.318 6.690 -5.730 412 H ILE 57 H ILE 57 -10.523 4.708 -7.160 413 HA ILE 57 HA ILE 57 -8.362 6.276 -7.952 414 HB ILE 57 HB ILE 57 -7.779 4.118 -7.348 415 1HG1 ILE 57 2HG1 ILE 57 -6.868 2.951 -9.253 416 2HG1 ILE 57 1HG1 ILE 57 -8.028 3.711 -10.339 417 1HG2 ILE 57 1HG2 ILE 57 -9.013 2.107 -8.400 418 2HG2 ILE 57 2HG2 ILE 57 -10.205 3.290 -8.932 419 3HG2 ILE 57 3HG2 ILE 57 -9.887 3.074 -7.215 420 1HD1 ILE 57 1HD1 ILE 57 -6.438 5.650 -8.803 421 2HD1 ILE 57 2HD1 ILE 57 -6.768 5.592 -10.531 422 3HD1 ILE 57 3HD1 ILE 57 -5.465 4.628 -9.847 423 H GLY 58 H GLY 58 -10.434 4.334 -10.154 424 1HA GLY 58 2HA GLY 58 -11.222 5.959 -12.095 425 2HA GLY 58 1HA GLY 58 -9.488 6.033 -12.407 426 H ASN 59 H ASN 59 -11.361 5.010 -14.286 427 HA ASN 59 HA ASN 59 -11.550 2.167 -14.216 428 1HB ASN 59 2HB ASN 59 -12.888 3.760 -15.684 429 2HB ASN 59 1HB ASN 59 -11.460 3.866 -16.714 430 1HD2 ASN 59 1HD2 ASN 59 -11.356 0.803 -15.428 431 2HD2 ASN 59 2HD2 ASN 59 -12.182 -0.042 -16.645 432 H SER 60 H SER 60 -9.275 4.327 -15.939 433 HA SER 60 HA SER 60 -7.678 2.166 -16.980 434 1HB SER 60 2HB SER 60 -7.731 4.558 -17.842 435 2HB SER 60 1HB SER 60 -6.749 4.998 -16.447 436 HG SER 60 HG SER 60 -5.146 3.633 -17.179 437 H TYR 61 H TYR 61 -8.240 2.310 -13.980 438 HA TYR 61 HA TYR 61 -5.573 1.466 -13.135 439 1HB TYR 61 2HB TYR 61 -6.848 3.965 -12.041 440 2HB TYR 61 1HB TYR 61 -5.577 3.082 -11.197 441 HD1 TYR 61 1HD TYR 61 -6.194 5.726 -13.406 442 HD2 TYR 61 2HD TYR 61 -3.499 2.435 -12.794 443 HE1 TYR 61 1HE TYR 61 -4.487 6.862 -14.803 444 HE2 TYR 61 2HE TYR 61 -1.794 3.572 -14.191 445 HH TYR 61 HH TYR 61 -1.978 5.419 -16.174 446 H SER 62 H SER 62 -6.001 -0.324 -11.952 447 HA SER 62 HA SER 62 -8.531 -0.388 -10.338 448 1HB SER 62 2HB SER 62 -7.983 -3.003 -10.674 449 2HB SER 62 1HB SER 62 -8.942 -2.086 -11.832 450 HG SER 62 HG SER 62 -6.741 -3.362 -12.313 451 H TYR 63 H TYR 63 -5.071 -1.129 -10.381 452 HA TYR 63 HA TYR 63 -5.312 -1.990 -7.536 453 1HB TYR 63 2HB TYR 63 -3.201 -2.430 -9.638 454 2HB TYR 63 1HB TYR 63 -2.888 -2.737 -7.929 455 HD1 TYR 63 1HD TYR 63 -5.583 -3.418 -10.464 456 HD2 TYR 63 2HD TYR 63 -3.262 -4.909 -7.173 457 HE1 TYR 63 1HE TYR 63 -6.724 -5.609 -10.649 458 HE2 TYR 63 2HE TYR 63 -4.399 -7.103 -7.366 459 HH TYR 63 HH TYR 63 -6.536 -7.836 -10.041 460 H VAL 64 H VAL 64 -3.567 -1.236 -6.056 461 HA VAL 64 HA VAL 64 -2.384 1.400 -6.790 462 HB VAL 64 HB VAL 64 -4.177 0.872 -4.393 463 1HG1 VAL 64 1HG1 VAL 64 -3.698 3.012 -3.581 464 2HG1 VAL 64 2HG1 VAL 64 -3.018 3.549 -5.114 465 3HG1 VAL 64 3HG1 VAL 64 -2.116 2.432 -4.091 466 1HG2 VAL 64 1HG2 VAL 64 -5.483 2.776 -5.485 467 2HG2 VAL 64 2HG2 VAL 64 -5.526 1.228 -6.326 468 3HG2 VAL 64 3HG2 VAL 64 -4.473 2.519 -6.908 469 H TRP 65 H TRP 65 -0.368 1.700 -5.810 470 HA TRP 65 HA TRP 65 0.813 -0.607 -4.485 471 1HB TRP 65 2HB TRP 65 1.744 1.991 -5.533 472 2HB TRP 65 1HB TRP 65 2.648 1.411 -4.146 473 HD1 TRP 65 HD TRP 65 3.464 1.630 -7.343 474 HE1 TRP 65 1HE TRP 65 4.611 -0.418 -8.391 475 HE3 TRP 65 3HE TRP 65 2.047 -1.997 -4.016 476 HZ2 TRP 65 2HZ TRP 65 4.862 -3.208 -7.915 477 HZ3 TRP 65 3HZ TRP 65 2.756 -4.337 -4.361 478 HH2 TRP 65 HH TRP 65 4.163 -4.949 -6.298 479 H ILE 66 H ILE 66 1.611 -0.698 -2.305 480 HA ILE 66 HA ILE 66 0.862 1.580 -0.535 481 HB ILE 66 HB ILE 66 0.077 -0.086 1.197 482 1HG1 ILE 66 2HG1 ILE 66 0.107 -1.945 -1.193 483 2HG1 ILE 66 1HG1 ILE 66 1.079 -2.113 0.268 484 1HG2 ILE 66 1HG2 ILE 66 -2.144 -0.134 0.367 485 2HG2 ILE 66 2HG2 ILE 66 -1.604 -0.257 -1.307 486 3HG2 ILE 66 3HG2 ILE 66 -1.414 1.258 -0.427 487 1HD1 ILE 66 1HD1 ILE 66 -1.925 -2.354 -0.002 488 2HD1 ILE 66 2HD1 ILE 66 -1.132 -2.153 1.559 489 3HD1 ILE 66 3HD1 ILE 66 -0.789 -3.574 0.572 490 H GLY 67 H GLY 67 1.902 0.957 1.779 491 1HA GLY 67 2HA GLY 67 4.718 0.431 1.187 492 2HA GLY 67 1HA GLY 67 4.073 1.033 2.713 493 H LEU 68 H LEU 68 3.683 -1.933 0.745 494 HA LEU 68 HA LEU 68 4.378 -3.476 3.205 495 1HB LEU 68 2HB LEU 68 1.828 -3.405 2.420 496 2HB LEU 68 1HB LEU 68 2.395 -4.627 1.289 497 HG LEU 68 HG LEU 68 1.643 -5.817 3.222 498 1HD1 LEU 68 1HD1 LEU 68 3.573 -7.022 3.848 499 2HD1 LEU 68 2HD1 LEU 68 4.612 -5.613 3.707 500 3HD1 LEU 68 3HD1 LEU 68 3.968 -6.382 2.258 501 1HD2 LEU 68 1HD2 LEU 68 1.669 -4.952 5.294 502 2HD2 LEU 68 2HD2 LEU 68 2.361 -3.482 4.612 503 3HD2 LEU 68 3HD2 LEU 68 3.416 -4.735 5.254 504 H HIS 69 H HIS 69 5.937 -5.012 2.827 505 HA HIS 69 HA HIS 69 6.308 -5.989 0.053 506 1HB HIS 69 2HB HIS 69 8.708 -5.557 0.096 507 2HB HIS 69 1HB HIS 69 7.835 -4.041 0.330 508 HD1 HIS 69 1HD HIS 69 10.572 -5.848 1.722 509 HD2 HIS 69 2HD HIS 69 7.449 -3.629 3.341 510 HE1 HIS 69 1HE HIS 69 11.275 -5.239 4.078 511 H ASP 70 H ASP 70 8.305 -7.583 0.206 512 HA ASP 70 HA ASP 70 7.685 -9.434 2.472 513 1HB ASP 70 2HB ASP 70 8.822 -10.076 -0.262 514 2HB ASP 70 1HB ASP 70 8.377 -11.243 0.981 515 HA PRO 71 HA PRO 71 12.019 -7.882 3.159 516 1HB PRO 71 2HB PRO 71 11.700 -8.780 5.880 517 2HB PRO 71 1HB PRO 71 11.818 -7.126 5.281 518 1HG PRO 71 2HG PRO 71 9.503 -8.487 6.281 519 2HG PRO 71 1HG PRO 71 9.633 -6.819 5.721 520 1HD PRO 71 2HD PRO 71 8.299 -8.990 4.419 521 2HD PRO 71 1HD PRO 71 8.516 -7.333 3.809 522 H THR 72 H THR 72 10.564 -10.842 2.943 523 HA THR 72 HA THR 72 12.683 -12.489 4.101 524 HB THR 72 HB THR 72 11.447 -14.365 3.205 525 HG1 THR 72 1HG THR 72 10.911 -12.710 1.275 526 1HG2 THR 72 1HG2 THR 72 9.179 -13.891 4.097 527 2HG2 THR 72 2HG2 THR 72 9.571 -12.172 4.128 528 3HG2 THR 72 3HG2 THR 72 10.449 -13.296 5.165 529 H GLN 73 H GLN 73 11.855 -11.197 0.917 530 HA GLN 73 HA GLN 73 12.998 -11.356 -1.136 531 1HB GLN 73 2HB GLN 73 15.185 -11.174 0.938 532 2HB GLN 73 1HB GLN 73 15.556 -11.226 -0.786 533 1HG GLN 73 2HG GLN 73 13.566 -9.256 0.347 534 2HG GLN 73 1HG GLN 73 15.291 -8.895 0.282 535 1HE2 GLN 73 1HE2 GLN 73 14.550 -10.950 -2.290 536 2HE2 GLN 73 2HE2 GLN 73 14.337 -9.780 -3.500 537 H GLY 74 H GLY 74 12.125 -13.890 -0.053 538 1HA GLY 74 2HA GLY 74 12.398 -16.089 -0.948 539 2HA GLY 74 1HA GLY 74 14.013 -15.641 -1.500 540 H THR 75 H THR 75 12.589 -15.366 1.755 541 HA THR 75 HA THR 75 14.373 -17.516 2.734 542 HB THR 75 HB THR 75 15.376 -16.084 4.457 543 HG1 THR 75 1HG THR 75 13.717 -14.580 4.661 544 1HG2 THR 75 1HG2 THR 75 16.878 -14.848 3.050 545 2HG2 THR 75 2HG2 THR 75 15.675 -14.731 1.766 546 3HG2 THR 75 3HG2 THR 75 16.407 -16.289 2.149 547 H GLU 76 H GLU 76 11.816 -17.999 2.708 548 HA GLU 76 HA GLU 76 11.023 -18.110 5.482 549 1HB GLU 76 2HB GLU 76 10.469 -15.714 4.857 550 2HB GLU 76 1HB GLU 76 9.292 -16.365 3.714 551 1HG GLU 76 2HG GLU 76 8.077 -15.913 5.725 552 2HG GLU 76 1HG GLU 76 8.299 -17.662 5.673 553 HA PRO 77 HA PRO 77 9.290 -21.213 2.437 554 1HB PRO 77 2HB PRO 77 9.911 -23.234 4.399 555 2HB PRO 77 1HB PRO 77 10.641 -22.989 2.810 556 1HG PRO 77 2HG PRO 77 11.830 -22.509 5.357 557 2HG PRO 77 1HG PRO 77 12.524 -22.182 3.766 558 1HD PRO 77 2HD PRO 77 11.520 -20.279 5.720 559 2HD PRO 77 1HD PRO 77 12.332 -19.945 4.171 560 H ASN 78 H ASN 78 7.829 -19.549 4.339 561 HA ASN 78 HA ASN 78 5.692 -21.485 5.042 562 1HB ASN 78 2HB ASN 78 6.782 -19.439 7.001 563 2HB ASN 78 1HB ASN 78 5.437 -20.544 7.289 564 1HD2 ASN 78 1HD2 ASN 78 8.956 -20.336 7.011 565 2HD2 ASN 78 2HD2 ASN 78 9.271 -21.910 7.564 566 H GLY 79 H GLY 79 6.735 -18.102 4.761 567 1HA GLY 79 2HA GLY 79 5.527 -16.445 3.501 568 2HA GLY 79 1HA GLY 79 4.083 -17.455 3.601 569 H GLU 80 H GLU 80 6.308 -15.721 5.811 570 HA GLU 80 HA GLU 80 4.018 -14.383 7.072 571 1HB GLU 80 2HB GLU 80 5.700 -16.427 8.547 572 2HB GLU 80 1HB GLU 80 4.706 -15.221 9.367 573 1HG GLU 80 2HG GLU 80 2.757 -16.106 7.932 574 2HG GLU 80 1HG GLU 80 3.805 -17.478 7.572 575 H GLY 81 H GLY 81 6.031 -13.171 5.689 576 1HA GLY 81 2HA GLY 81 7.668 -11.919 7.864 577 2HA GLY 81 1HA GLY 81 8.374 -12.296 6.294 578 H TRP 82 H TRP 82 5.482 -11.517 5.277 579 HA TRP 82 HA TRP 82 6.029 -9.096 4.090 580 1HB TRP 82 2HB TRP 82 3.297 -8.947 4.973 581 2HB TRP 82 1HB TRP 82 3.903 -9.352 3.370 582 HD1 TRP 82 HD TRP 82 4.901 -12.065 3.311 583 HE1 TRP 82 1HE TRP 82 3.635 -14.145 4.158 584 HE3 TRP 82 3HE TRP 82 1.564 -9.839 6.469 585 HZ2 TRP 82 2HZ TRP 82 1.485 -14.779 5.938 586 HZ3 TRP 82 3HZ TRP 82 -0.080 -11.202 7.724 587 HH2 TRP 82 HH TRP 82 -0.124 -13.668 7.464 588 H GLU 83 H GLU 83 6.700 -7.151 4.944 589 HA GLU 83 HA GLU 83 5.494 -6.344 7.576 590 1HB GLU 83 2HB GLU 83 8.061 -7.074 7.414 591 2HB GLU 83 1HB GLU 83 8.245 -5.412 6.848 592 1HG GLU 83 2HG GLU 83 6.791 -4.798 8.923 593 2HG GLU 83 1HG GLU 83 7.240 -6.398 9.511 594 H TRP 84 H TRP 84 5.025 -4.100 7.772 595 HA TRP 84 HA TRP 84 4.591 -2.741 5.244 596 1HB TRP 84 2HB TRP 84 4.256 -1.235 7.776 597 2HB TRP 84 1HB TRP 84 3.153 -1.392 6.408 598 HD1 TRP 84 HD TRP 84 4.458 -3.507 9.366 599 HE1 TRP 84 1HE TRP 84 2.582 -5.111 10.093 600 HE3 TRP 84 3HE TRP 84 0.931 -2.392 5.850 601 HZ2 TRP 84 2HZ TRP 84 -0.064 -5.839 9.286 602 HZ3 TRP 84 3HZ TRP 84 -1.252 -3.559 5.848 603 HH2 TRP 84 HH TRP 84 -1.756 -5.276 7.563 604 H SER 85 H SER 85 5.862 -1.164 4.375 605 HA SER 85 HA SER 85 8.392 -0.572 5.753 606 1HB SER 85 2HB SER 85 8.687 -0.930 3.422 607 2HB SER 85 1HB SER 85 7.286 0.056 3.015 608 HG SER 85 HG SER 85 8.489 1.784 3.133 609 H SER 86 H SER 86 5.357 0.561 5.981 610 HA SER 86 HA SER 86 6.311 3.252 6.818 611 1HB SER 86 2HB SER 86 3.615 3.046 5.552 612 2HB SER 86 1HB SER 86 4.755 4.389 5.547 613 HG SER 86 HG SER 86 6.081 2.837 4.219 614 H SER 87 H SER 87 4.981 0.435 7.881 615 HA SER 87 HA SER 87 3.169 1.943 9.758 616 1HB SER 87 2HB SER 87 1.545 0.393 9.529 617 2HB SER 87 1HB SER 87 2.364 -0.010 8.029 618 HG SER 87 HG SER 87 2.058 -1.851 9.337 619 H ASP 88 H ASP 88 5.164 -1.031 9.564 620 HA ASP 88 HA ASP 88 6.910 -0.786 11.599 621 1HB ASP 88 2HB ASP 88 5.296 0.056 13.191 622 2HB ASP 88 1HB ASP 88 4.186 -1.271 12.848 623 H VAL 89 H VAL 89 4.657 -3.109 12.731 624 HA VAL 89 HA VAL 89 6.049 -5.256 11.170 625 HB VAL 89 HB VAL 89 6.712 -5.179 13.577 626 1HG1 VAL 89 1HG1 VAL 89 4.408 -4.299 14.278 627 2HG1 VAL 89 2HG1 VAL 89 5.122 -5.538 15.312 628 3HG1 VAL 89 3HG1 VAL 89 3.855 -5.971 14.163 629 1HG2 VAL 89 1HG2 VAL 89 6.510 -7.521 13.924 630 2HG2 VAL 89 2HG2 VAL 89 6.459 -7.330 12.172 631 3HG2 VAL 89 3HG2 VAL 89 4.966 -7.596 13.074 632 H MET 90 H MET 90 4.701 -7.282 11.029 633 HA MET 90 HA MET 90 2.126 -6.715 9.944 634 1HB MET 90 2HB MET 90 3.680 -8.760 9.559 635 2HB MET 90 1HB MET 90 2.916 -9.427 11.000 636 1HG MET 90 2HG MET 90 1.370 -8.417 8.596 637 2HG MET 90 1HG MET 90 1.807 -10.108 8.840 638 1HE MET 90 1HE MET 90 0.189 -11.750 9.981 639 2HE MET 90 2HE MET 90 -0.190 -11.406 11.667 640 3HE MET 90 3HE MET 90 1.472 -11.266 11.099 641 H ASN 91 H ASN 91 0.995 -5.508 11.629 642 HA ASN 91 HA ASN 91 0.205 -7.166 13.990 643 1HB ASN 91 2HB ASN 91 1.073 -4.604 14.017 644 2HB ASN 91 1HB ASN 91 -0.652 -4.315 13.781 645 1HD2 ASN 91 1HD2 ASN 91 -2.142 -5.157 15.463 646 2HD2 ASN 91 2HD2 ASN 91 -1.564 -5.493 17.023 647 H TYR 92 H TYR 92 -0.793 -6.095 10.946 648 HA TYR 92 HA TYR 92 -3.603 -6.850 11.575 649 1HB TYR 92 2HB TYR 92 -3.476 -4.428 11.172 650 2HB TYR 92 1HB TYR 92 -2.687 -4.727 9.624 651 HD1 TYR 92 1HD TYR 92 -5.681 -6.175 11.401 652 HD2 TYR 92 2HD TYR 92 -4.114 -4.380 7.823 653 HE1 TYR 92 1HE TYR 92 -7.888 -6.428 10.307 654 HE2 TYR 92 2HE TYR 92 -6.326 -4.636 6.731 655 HH TYR 92 HH TYR 92 -8.566 -6.601 7.554 656 H PHE 93 H PHE 93 -4.706 -7.957 9.781 657 HA PHE 93 HA PHE 93 -2.864 -8.937 7.639 658 1HB PHE 93 2HB PHE 93 -3.860 -11.212 7.932 659 2HB PHE 93 1HB PHE 93 -2.931 -10.681 9.333 660 HD1 PHE 93 1HD PHE 93 -6.238 -11.543 8.057 661 HD2 PHE 93 2HD PHE 93 -4.100 -9.836 11.370 662 HE1 PHE 93 1HE PHE 93 -8.241 -11.818 9.493 663 HE2 PHE 93 2HE PHE 93 -6.104 -10.112 12.805 664 HZ PHE 93 HZ PHE 93 -8.175 -11.103 11.866 665 H ALA 94 H ALA 94 -3.840 -9.218 5.641 666 HA ALA 94 HA ALA 94 -6.672 -9.484 5.248 667 1HB ALA 94 1HB ALA 94 -7.414 -7.348 4.948 668 2HB ALA 94 2HB ALA 94 -5.921 -6.840 4.158 669 3HB ALA 94 3HB ALA 94 -6.011 -6.902 5.917 670 H TRP 95 H TRP 95 -3.935 -10.376 4.281 671 HA TRP 95 HA TRP 95 -3.732 -9.520 1.517 672 1HB TRP 95 2HB TRP 95 -2.292 -11.752 1.465 673 2HB TRP 95 1HB TRP 95 -1.688 -10.317 2.290 674 HD1 TRP 95 HD TRP 95 -1.257 -10.482 4.814 675 HE1 TRP 95 1HE TRP 95 -1.616 -12.303 6.603 676 HE3 TRP 95 3HE TRP 95 -4.011 -13.835 2.119 677 HZ2 TRP 95 2HZ TRP 95 -2.900 -14.845 6.856 678 HZ3 TRP 95 3HZ TRP 95 -4.788 -15.947 3.160 679 HH2 TRP 95 HH TRP 95 -4.236 -16.455 5.523 680 H GLU 96 H GLU 96 -4.178 -10.893 -0.349 681 HA GLU 96 HA GLU 96 -6.704 -12.322 -0.086 682 1HB GLU 96 2HB GLU 96 -5.972 -10.919 -2.091 683 2HB GLU 96 1HB GLU 96 -4.900 -12.256 -2.515 684 1HG GLU 96 2HG GLU 96 -6.989 -13.754 -2.354 685 2HG GLU 96 1HG GLU 96 -7.918 -12.256 -2.371 686 H ARG 97 H ARG 97 -3.323 -13.227 -0.727 687 HA ARG 97 HA ARG 97 -3.953 -15.974 0.183 688 1HB ARG 97 2HB ARG 97 -2.881 -15.275 -2.557 689 2HB ARG 97 1HB ARG 97 -2.625 -16.861 -1.830 690 1HG ARG 97 2HG ARG 97 -5.086 -17.102 -1.551 691 2HG ARG 97 1HG ARG 97 -5.309 -15.551 -2.362 692 1HD ARG 97 2HD ARG 97 -3.957 -17.981 -3.573 693 2HD ARG 97 1HD ARG 97 -5.593 -17.437 -3.938 694 HE ARG 97 HE ARG 97 -3.622 -15.348 -4.374 695 1HH1 ARG 97 1HH1 ARG 97 -6.013 -15.665 -6.090 696 2HH1 ARG 97 2HH1 ARG 97 -5.354 -16.333 -7.546 697 1HH2 ARG 97 1HH2 ARG 97 -2.368 -17.294 -6.067 698 2HH2 ARG 97 2HH2 ARG 97 -3.290 -17.254 -7.534 699 H ASN 98 H ASN 98 -1.992 -17.166 0.757 700 HA ASN 98 HA ASN 98 0.110 -15.361 1.718 701 1HB ASN 98 2HB ASN 98 -0.407 -18.323 2.044 702 2HB ASN 98 1HB ASN 98 1.045 -17.544 2.673 703 1HD2 ASN 98 1HD2 ASN 98 -1.341 -15.215 2.787 704 2HD2 ASN 98 2HD2 ASN 98 -1.887 -15.459 4.375 705 HA PRO 99 HA PRO 99 2.832 -15.920 -1.751 706 1HB PRO 99 2HB PRO 99 5.189 -16.091 -0.103 707 2HB PRO 99 1HB PRO 99 4.602 -14.708 -1.030 708 1HG PRO 99 2HG PRO 99 4.542 -15.106 1.832 709 2HG PRO 99 1HG PRO 99 4.071 -13.674 0.910 710 1HD PRO 99 2HD PRO 99 2.334 -15.466 2.286 711 2HD PRO 99 1HD PRO 99 1.858 -14.147 1.188 712 H SER 100 H SER 100 2.719 -18.167 0.889 713 HA SER 100 HA SER 100 4.554 -20.112 -0.261 714 1HB SER 100 2HB SER 100 3.530 -21.644 1.459 715 2HB SER 100 1HB SER 100 4.184 -20.151 2.131 716 HG SER 100 HG SER 100 1.736 -21.075 2.347 717 H THR 101 H THR 101 1.328 -19.194 -0.912 718 HA THR 101 HA THR 101 0.529 -21.836 -1.951 719 HB THR 101 HB THR 101 -1.552 -20.623 -2.625 720 HG1 THR 101 1HG THR 101 -1.092 -18.579 -2.953 721 1HG2 THR 101 1HG2 THR 101 -1.322 -21.632 -0.374 722 2HG2 THR 101 2HG2 THR 101 -2.332 -20.189 -0.341 723 3HG2 THR 101 3HG2 THR 101 -0.664 -20.109 0.227 724 H ILE 102 H ILE 102 1.856 -18.824 -3.124 725 HA ILE 102 HA ILE 102 1.532 -19.760 -5.945 726 HB ILE 102 HB ILE 102 2.358 -17.030 -4.924 727 1HG1 ILE 102 2HG1 ILE 102 -0.316 -17.897 -6.059 728 2HG1 ILE 102 1HG1 ILE 102 0.001 -17.739 -4.330 729 1HG2 ILE 102 1HG2 ILE 102 3.166 -17.399 -7.160 730 2HG2 ILE 102 2HG2 ILE 102 1.721 -16.398 -7.295 731 3HG2 ILE 102 3HG2 ILE 102 1.635 -18.122 -7.654 732 1HD1 ILE 102 1HD1 ILE 102 0.500 -15.383 -4.574 733 2HD1 ILE 102 2HD1 ILE 102 -1.050 -15.695 -5.357 734 3HD1 ILE 102 3HD1 ILE 102 0.409 -15.500 -6.330 735 H SER 103 H SER 103 3.424 -19.647 -7.341 736 HA SER 103 HA SER 103 5.793 -20.710 -6.152 737 1HB SER 103 2HB SER 103 5.407 -21.214 -8.448 738 2HB SER 103 1HB SER 103 5.218 -19.515 -8.869 739 HG SER 103 HG SER 103 7.294 -20.379 -9.413 740 H SER 104 H SER 104 5.890 -18.881 -4.454 741 HA SER 104 HA SER 104 6.894 -16.909 -3.642 742 1HB SER 104 2HB SER 104 9.190 -16.636 -4.339 743 2HB SER 104 1HB SER 104 8.844 -18.363 -4.291 744 HG SER 104 HG SER 104 9.902 -17.304 -6.254 745 HA PRO 105 HA PRO 105 5.140 -14.272 -7.030 746 1HB PRO 105 2HB PRO 105 4.248 -12.478 -4.960 747 2HB PRO 105 1HB PRO 105 3.272 -13.520 -5.998 748 1HG PRO 105 2HG PRO 105 3.765 -13.828 -3.208 749 2HG PRO 105 1HG PRO 105 2.872 -14.920 -4.267 750 1HD PRO 105 2HD PRO 105 5.511 -15.292 -3.098 751 2HD PRO 105 1HD PRO 105 4.548 -16.455 -4.042 752 H GLY 106 H GLY 106 5.144 -11.467 -6.420 753 1HA GLY 106 2HA GLY 106 7.951 -10.864 -6.834 754 2HA GLY 106 1HA GLY 106 6.657 -9.676 -6.652 755 H HIS 107 H HIS 107 7.310 -8.341 -5.013 756 HA HIS 107 HA HIS 107 7.679 -9.541 -2.345 757 1HB HIS 107 2HB HIS 107 9.765 -7.547 -3.169 758 2HB HIS 107 1HB HIS 107 9.850 -8.811 -1.944 759 HD1 HIS 107 1HD HIS 107 10.469 -11.197 -2.722 760 HD2 HIS 107 2HD HIS 107 10.303 -8.445 -5.833 761 HE1 HIS 107 1HE HIS 107 11.501 -12.312 -4.745 762 H CYS 108 H CYS 108 5.871 -7.645 -3.934 763 HA CYS 108 HA CYS 108 5.737 -5.563 -1.815 764 1HB CYS 108 2HB CYS 108 5.847 -5.061 -4.791 765 2HB CYS 108 1HB CYS 108 5.195 -3.880 -3.654 766 H ALA 109 H ALA 109 3.609 -4.960 -1.323 767 HA ALA 109 HA ALA 109 1.506 -6.551 -2.725 768 1HB ALA 109 1HB ALA 109 0.485 -6.866 -0.716 769 2HB ALA 109 2HB ALA 109 0.807 -5.219 -0.178 770 3HB ALA 109 3HB ALA 109 2.065 -6.450 -0.053 771 H SER 110 H SER 110 -0.405 -5.570 -3.368 772 HA SER 110 HA SER 110 -0.587 -2.601 -3.228 773 1HB SER 110 2HB SER 110 -1.438 -3.721 -5.812 774 2HB SER 110 1HB SER 110 -0.426 -2.318 -5.482 775 HG SER 110 HG SER 110 0.805 -3.899 -6.486 776 H LEU 111 H LEU 111 -2.867 -1.901 -3.827 777 HA LEU 111 HA LEU 111 -4.796 -3.800 -2.660 778 1HB LEU 111 2HB LEU 111 -5.113 -0.957 -3.668 779 2HB LEU 111 1HB LEU 111 -6.388 -1.883 -2.894 780 HG LEU 111 HG LEU 111 -3.902 -1.882 -1.328 781 1HD1 LEU 111 1HD1 LEU 111 -5.302 0.742 -1.915 782 2HD1 LEU 111 2HD1 LEU 111 -3.609 0.358 -2.219 783 3HD1 LEU 111 3HD1 LEU 111 -4.197 0.492 -0.563 784 1HD2 LEU 111 1HD2 LEU 111 -6.260 -2.565 -0.626 785 2HD2 LEU 111 2HD2 LEU 111 -6.655 -0.845 -0.612 786 3HD2 LEU 111 3HD2 LEU 111 -5.422 -1.478 0.479 787 H SER 112 H SER 112 -6.624 -4.587 -3.819 788 HA SER 112 HA SER 112 -6.362 -4.438 -6.805 789 1HB SER 112 2HB SER 112 -7.740 -6.646 -5.274 790 2HB SER 112 1HB SER 112 -7.145 -6.672 -6.931 791 HG SER 112 HG SER 112 -5.842 -7.154 -4.580 792 H ARG 113 H ARG 113 -7.959 -3.176 -7.674 793 HA ARG 113 HA ARG 113 -10.262 -2.267 -6.295 794 1HB ARG 113 2HB ARG 113 -9.591 -1.149 -8.321 795 2HB ARG 113 1HB ARG 113 -9.759 -2.630 -9.261 796 1HG ARG 113 2HG ARG 113 -12.150 -2.620 -9.003 797 2HG ARG 113 1HG ARG 113 -12.073 -1.328 -7.807 798 1HD ARG 113 2HD ARG 113 -11.033 0.128 -9.614 799 2HD ARG 113 1HD ARG 113 -11.452 -1.143 -10.762 800 HE ARG 113 HE ARG 113 -13.858 -0.716 -9.603 801 1HH1 ARG 113 1HH2 ARG 113 -12.070 0.856 -11.897 802 2HH1 ARG 113 2HH2 ARG 113 -12.880 2.381 -11.775 803 1HH2 ARG 113 1HH1 ARG 113 -14.638 1.515 -8.914 804 2HH2 ARG 113 2HH1 ARG 113 -14.334 2.754 -10.085 805 H SER 114 H SER 114 -9.614 -5.351 -7.694 806 HA SER 114 HA SER 114 -12.298 -6.178 -8.269 807 1HB SER 114 2HB SER 114 -10.287 -7.398 -9.059 808 2HB SER 114 1HB SER 114 -9.935 -7.870 -7.399 809 HG SER 114 HG SER 114 -12.506 -8.367 -8.311 810 H THR 115 H THR 115 -10.386 -6.172 -5.294 811 HA THR 115 HA THR 115 -12.666 -7.437 -3.844 812 HB THR 115 HB THR 115 -11.085 -7.744 -2.002 813 HG1 THR 115 1HG THR 115 -8.993 -6.788 -3.580 814 1HG2 THR 115 1HG2 THR 115 -9.352 -9.137 -3.259 815 2HG2 THR 115 2HG2 THR 115 -10.116 -8.566 -4.743 816 3HG2 THR 115 3HG2 THR 115 -11.040 -9.524 -3.587 817 H ALA 116 H ALA 116 -12.611 -4.617 -4.833 818 HA ALA 116 HA ALA 116 -13.286 -2.519 -4.030 819 1HB ALA 116 1HB ALA 116 -14.625 -2.481 -2.103 820 2HB ALA 116 2HB ALA 116 -13.691 -3.750 -1.310 821 3HB ALA 116 3HB ALA 116 -14.778 -4.154 -2.639 822 H PHE 117 H PHE 117 -10.485 -3.521 -3.751 823 HA PHE 117 HA PHE 117 -8.468 -2.744 -2.864 824 1HB PHE 117 2HB PHE 117 -10.071 -0.451 -1.712 825 2HB PHE 117 1HB PHE 117 -8.367 -0.460 -2.166 826 HD1 PHE 117 1HD PHE 117 -7.704 -0.557 -4.561 827 HD2 PHE 117 2HD PHE 117 -11.807 -0.148 -3.356 828 HE1 PHE 117 1HE PHE 117 -8.305 0.165 -6.855 829 HE2 PHE 117 2HE PHE 117 -12.409 0.571 -5.650 830 HZ PHE 117 HZ PHE 117 -10.659 0.731 -7.399 831 H LEU 118 H LEU 118 -10.287 -4.475 -1.269 832 HA LEU 118 HA LEU 118 -9.508 -3.648 1.496 833 1HB LEU 118 2HB LEU 118 -11.588 -5.611 0.492 834 2HB LEU 118 1HB LEU 118 -11.193 -5.378 2.194 835 HG LEU 118 HG LEU 118 -12.137 -3.174 0.337 836 1HD1 LEU 118 1HD1 LEU 118 -13.833 -4.993 0.847 837 2HD1 LEU 118 2HD1 LEU 118 -14.295 -3.375 1.375 838 3HD1 LEU 118 3HD1 LEU 118 -13.690 -4.544 2.547 839 1HD2 LEU 118 1HD2 LEU 118 -11.316 -3.318 3.221 840 2HD2 LEU 118 2HD2 LEU 118 -12.617 -2.215 2.776 841 3HD2 LEU 118 3HD2 LEU 118 -11.027 -2.043 2.037 842 H ARG 119 H ARG 119 -8.608 -5.695 -1.024 843 HA ARG 119 HA ARG 119 -7.216 -7.538 0.887 844 1HB ARG 119 2HB ARG 119 -9.019 -8.243 -1.098 845 2HB ARG 119 1HB ARG 119 -7.466 -8.472 -1.895 846 1HG ARG 119 2HG ARG 119 -8.040 -10.548 -0.805 847 2HG ARG 119 1HG ARG 119 -6.724 -9.814 0.110 848 1HD ARG 119 2HD ARG 119 -8.054 -9.396 1.938 849 2HD ARG 119 1HD ARG 119 -9.485 -9.080 0.959 850 HE ARG 119 HE ARG 119 -8.773 -11.864 0.806 851 1HH1 ARG 119 1HH1 ARG 119 -11.252 -9.921 1.670 852 2HH1 ARG 119 2HH1 ARG 119 -11.753 -10.811 3.069 853 1HH2 ARG 119 1HH2 ARG 119 -8.932 -12.826 3.126 854 2HH2 ARG 119 2HH2 ARG 119 -10.440 -12.456 3.893 855 H TRP 120 H TRP 120 -5.028 -8.113 0.306 856 HA TRP 120 HA TRP 120 -3.730 -6.063 -1.446 857 1HB TRP 120 2HB TRP 120 -2.382 -7.838 0.601 858 2HB TRP 120 1HB TRP 120 -1.738 -6.381 -0.155 859 HD1 TRP 120 HD TRP 120 -4.058 -4.375 0.200 860 HE1 TRP 120 1HE TRP 120 -4.759 -3.555 2.543 861 HE3 TRP 120 3HE TRP 120 -2.168 -8.158 3.053 862 HZ2 TRP 120 2HZ TRP 120 -4.542 -4.401 5.270 863 HZ3 TRP 120 3HZ TRP 120 -2.425 -8.131 5.513 864 HH2 TRP 120 HH TRP 120 -3.612 -6.262 6.626 865 H LYS 121 H LYS 121 -2.587 -6.723 -3.221 866 HA LYS 121 HA LYS 121 -2.230 -9.671 -3.626 867 1HB LYS 121 2HB LYS 121 -3.517 -7.648 -5.287 868 2HB LYS 121 1HB LYS 121 -2.202 -8.435 -6.156 869 1HG LYS 121 2HG LYS 121 -4.246 -10.050 -4.629 870 2HG LYS 121 1HG LYS 121 -4.550 -9.522 -6.282 871 1HD LYS 121 2HD LYS 121 -2.415 -10.605 -6.986 872 2HD LYS 121 1HD LYS 121 -2.214 -11.213 -5.342 873 1HE LYS 121 2HE LYS 121 -4.703 -11.764 -6.968 874 2HE LYS 121 1HE LYS 121 -3.292 -12.821 -7.021 875 1HZ LYS 121 1HZ LYS 121 -3.451 -13.136 -4.650 876 2HZ LYS 121 2HZ LYS 121 -4.932 -13.540 -5.377 877 3HZ LYS 121 3HZ LYS 121 -4.762 -12.064 -4.555 878 H ASP 122 H ASP 122 -0.238 -10.348 -4.370 879 HA ASP 122 HA ASP 122 1.955 -8.522 -3.923 880 1HB ASP 122 2HB ASP 122 2.130 -11.233 -5.249 881 2HB ASP 122 1HB ASP 122 3.388 -10.392 -4.341 882 H TYR 123 H TYR 123 3.462 -7.742 -5.512 883 HA TYR 123 HA TYR 123 2.901 -8.225 -8.355 884 1HB TYR 123 2HB TYR 123 1.775 -5.952 -6.968 885 2HB TYR 123 1HB TYR 123 2.936 -5.387 -8.166 886 HD1 TYR 123 1HD TYR 123 2.803 -6.857 -10.471 887 HD2 TYR 123 2HD TYR 123 -0.421 -6.157 -7.718 888 HE1 TYR 123 1HE TYR 123 1.164 -7.294 -12.280 889 HE2 TYR 123 2HE TYR 123 -2.059 -6.594 -9.526 890 HH TYR 123 HH TYR 123 -1.395 -6.506 -12.669 891 H ASN 124 H ASN 124 4.590 -7.280 -9.733 892 HA ASN 124 HA ASN 124 7.206 -7.543 -8.709 893 1HB ASN 124 2HB ASN 124 6.280 -5.927 -11.105 894 2HB ASN 124 1HB ASN 124 7.943 -6.433 -10.799 895 1HD2 ASN 124 1HD2 ASN 124 8.463 -8.718 -11.044 896 2HD2 ASN 124 2HD2 ASN 124 7.396 -9.793 -11.813 897 H CYS 125 H CYS 125 8.122 -6.288 -7.174 898 HA CYS 125 HA CYS 125 7.256 -3.832 -6.198 899 1HB CYS 125 2HB CYS 125 10.053 -4.964 -6.373 900 2HB CYS 125 1HB CYS 125 9.674 -3.488 -5.489 901 H ASN 126 H ASN 126 8.470 -4.331 -9.327 902 HA ASN 126 HA ASN 126 9.531 -1.555 -9.500 903 1HB ASN 126 2HB ASN 126 9.590 -3.867 -11.463 904 2HB ASN 126 1HB ASN 126 10.243 -2.265 -11.805 905 1HD2 ASN 126 1HD2 ASN 126 11.660 -4.950 -11.441 906 2HD2 ASN 126 2HD2 ASN 126 12.824 -4.654 -10.239 907 H VAL 127 H VAL 127 6.866 -3.557 -10.739 908 HA VAL 127 HA VAL 127 5.911 -1.796 -12.751 909 HB VAL 127 HB VAL 127 4.506 -3.693 -10.858 910 1HG1 VAL 127 1HG1 VAL 127 2.478 -3.289 -12.391 911 2HG1 VAL 127 2HG1 VAL 127 3.284 -1.797 -12.872 912 3HG1 VAL 127 3HG1 VAL 127 2.821 -2.046 -11.190 913 1HG2 VAL 127 1HG2 VAL 127 5.918 -4.437 -12.869 914 2HG2 VAL 127 2HG2 VAL 127 4.662 -3.719 -13.879 915 3HG2 VAL 127 3HG2 VAL 127 4.269 -5.058 -12.800 916 H ARG 128 H ARG 128 5.116 0.313 -12.561 917 HA ARG 128 HA ARG 128 4.922 1.386 -9.841 918 1HB ARG 128 2HB ARG 128 4.286 3.481 -11.399 919 2HB ARG 128 1HB ARG 128 5.953 2.975 -11.155 920 1HG ARG 128 2HG ARG 128 5.953 1.726 -13.213 921 2HG ARG 128 1HG ARG 128 4.217 1.956 -13.416 922 1HD ARG 128 2HD ARG 128 5.498 4.529 -13.103 923 2HD ARG 128 1HD ARG 128 6.290 3.625 -14.392 924 HE ARG 128 HE ARG 128 3.378 3.551 -14.566 925 1HH1 ARG 128 1HH1 ARG 128 4.464 6.452 -14.506 926 2HH1 ARG 128 2HH1 ARG 128 4.591 6.769 -16.205 927 1HH2 ARG 128 1HH2 ARG 128 4.321 3.434 -17.117 928 2HH2 ARG 128 2HH2 ARG 128 4.510 5.060 -17.682 929 H LEU 129 H LEU 129 2.979 2.420 -8.967 930 HA LEU 129 HA LEU 129 0.534 1.935 -10.627 931 1HB LEU 129 2HB LEU 129 1.168 0.696 -7.958 932 2HB LEU 129 1HB LEU 129 -0.503 1.036 -8.379 933 HG LEU 129 HG LEU 129 0.734 -0.259 -10.629 934 1HD1 LEU 129 1HD1 LEU 129 2.384 -1.182 -9.096 935 2HD1 LEU 129 2HD1 LEU 129 1.239 -2.450 -9.528 936 3HD1 LEU 129 3HD1 LEU 129 1.118 -1.649 -7.962 937 1HD2 LEU 129 1HD2 LEU 129 -1.020 -1.956 -10.106 938 2HD2 LEU 129 2HD2 LEU 129 -1.643 -0.307 -10.129 939 3HD2 LEU 129 3HD2 LEU 129 -1.335 -1.114 -8.591 940 HA PRO 130 HA PRO 130 -0.713 5.755 -8.756 941 1HB PRO 130 2HB PRO 130 -3.358 4.854 -8.003 942 2HB PRO 130 1HB PRO 130 -2.919 5.884 -9.369 943 1HG PRO 130 2HG PRO 130 -3.743 3.111 -9.409 944 2HG PRO 130 1HG PRO 130 -3.407 4.174 -10.778 945 1HD PRO 130 2HD PRO 130 -1.821 1.975 -9.895 946 2HD PRO 130 1HD PRO 130 -1.388 3.167 -11.143 947 H TYR 131 H TYR 131 -0.308 6.342 -6.504 948 HA TYR 131 HA TYR 131 -0.888 4.168 -4.517 949 1HB TYR 131 2HB TYR 131 1.316 4.444 -3.548 950 2HB TYR 131 1HB TYR 131 1.483 4.115 -5.272 951 HD1 TYR 131 1HD TYR 131 1.620 6.165 -6.861 952 HD2 TYR 131 2HD TYR 131 2.322 6.365 -2.630 953 HE1 TYR 131 1HE TYR 131 2.845 8.300 -7.165 954 HE2 TYR 131 2HE TYR 131 3.549 8.498 -2.933 955 HH TYR 131 HH TYR 131 4.281 10.006 -4.379 956 H VAL 132 H VAL 132 -0.360 4.971 -2.218 957 HA VAL 132 HA VAL 132 -1.397 7.772 -1.897 958 HB VAL 132 HB VAL 132 -1.817 5.349 -0.116 959 1HG1 VAL 132 1HG1 VAL 132 -1.612 7.346 1.251 960 2HG1 VAL 132 2HG1 VAL 132 -3.322 6.929 1.145 961 3HG1 VAL 132 3HG1 VAL 132 -2.674 8.244 0.166 962 1HG2 VAL 132 1HG2 VAL 132 -3.966 6.971 -1.463 963 2HG2 VAL 132 2HG2 VAL 132 -4.040 5.314 -0.865 964 3HG2 VAL 132 3HG2 VAL 132 -3.151 5.678 -2.343 965 H CYS 133 H CYS 133 -0.504 8.842 0.106 966 HA CYS 133 HA CYS 133 2.007 7.594 1.107 967 1HB CYS 133 2HB CYS 133 2.761 8.905 -0.778 968 2HB CYS 133 1HB CYS 133 1.808 10.292 -0.257 969 H LYS 134 H LYS 134 2.234 7.925 3.281 970 HA LYS 134 HA LYS 134 0.436 9.947 4.552 971 1HB LYS 134 2HB LYS 134 0.388 8.600 6.433 972 2HB LYS 134 1HB LYS 134 0.658 7.369 5.204 973 1HG LYS 134 2HG LYS 134 3.159 7.695 5.617 974 2HG LYS 134 1HG LYS 134 2.703 8.636 7.039 975 1HD LYS 134 2HD LYS 134 1.252 6.595 7.688 976 2HD LYS 134 1HD LYS 134 2.197 5.712 6.490 977 1HE LYS 134 2HE LYS 134 4.241 6.115 7.663 978 2HE LYS 134 1HE LYS 134 3.486 7.319 8.706 979 1HZ LYS 134 1HZ LYS 134 2.985 4.398 8.677 980 2HZ LYS 134 2HZ LYS 134 2.025 5.505 9.537 981 3HZ LYS 134 3HZ LYS 134 3.666 5.314 9.930 982 H PHE 135 H PHE 135 1.360 11.366 6.230 983 HA PHE 135 HA PHE 135 4.174 11.499 6.790 984 1HB PHE 135 2HB PHE 135 4.785 13.461 5.399 985 2HB PHE 135 1HB PHE 135 4.406 12.052 4.412 986 HD1 PHE 135 1HD PHE 135 2.326 11.933 3.114 987 HD2 PHE 135 2HD PHE 135 3.289 15.383 5.486 988 HE1 PHE 135 1HE PHE 135 0.560 13.227 1.950 989 HE2 PHE 135 2HE PHE 135 1.522 16.676 4.320 990 HZ PHE 135 HZ PHE 135 0.158 15.599 2.553 991 H THR 136 H THR 136 4.312 12.735 8.616 992 HA THR 136 HA THR 136 2.047 14.245 9.577 993 HB THR 136 HB THR 136 3.942 15.120 11.216 994 HG1 THR 136 1HG THR 136 5.437 14.014 9.554 995 1HG2 THR 136 1HG2 THR 136 2.331 13.660 12.105 996 2HG2 THR 136 2HG2 THR 136 3.839 12.777 12.339 997 3HG2 THR 136 3HG2 THR 136 2.769 12.355 11.003 998 H ASP 137 H ASP 137 1.998 16.574 9.954 999 HA ASP 137 HA ASP 137 2.155 18.773 9.143 1000 1HB ASP 137 2HB ASP 137 4.387 18.505 10.250 1001 2HB ASP 137 1HB ASP 137 5.051 17.991 8.698 Start of MODEL 11 1 1H ARG 1 1HT ARG 1 -3.371 20.453 9.763 2 2H ARG 1 2HT ARG 1 -2.740 22.028 9.701 3 3H ARG 1 3HT ARG 1 -1.896 20.744 8.979 4 HA ARG 1 HA ARG 1 -4.628 21.399 8.096 5 1HB ARG 1 2HB ARG 1 -3.257 23.494 8.045 6 2HB ARG 1 1HB ARG 1 -2.080 22.654 7.034 7 1HG ARG 1 2HG ARG 1 -3.803 22.254 5.328 8 2HG ARG 1 1HG ARG 1 -5.005 23.056 6.340 9 1HD ARG 1 2HD ARG 1 -3.895 25.168 6.145 10 2HD ARG 1 1HD ARG 1 -2.464 24.424 5.432 11 HE ARG 1 HE ARG 1 -4.934 25.093 4.019 12 1HH1 ARG 1 1HH2 ARG 1 -1.812 24.888 3.352 13 2HH1 ARG 1 2HH2 ARG 1 -1.909 23.793 2.011 14 1HH2 ARG 1 1HH1 ARG 1 -5.206 22.914 2.629 15 2HH2 ARG 1 2HH1 ARG 1 -3.830 22.676 1.603 16 H CYS 2 H CYS 2 -5.173 19.836 6.657 17 HA CYS 2 HA CYS 2 -3.010 18.183 5.495 18 1HB CYS 2 2HB CYS 2 -5.254 17.406 6.841 19 2HB CYS 2 1HB CYS 2 -5.821 17.311 5.176 20 HA PRO 3 HA PRO 3 -3.730 20.170 1.567 21 1HB PRO 3 2HB PRO 3 -3.155 17.771 0.083 22 2HB PRO 3 1HB PRO 3 -2.112 19.169 0.352 23 1HG PRO 3 2HG PRO 3 -1.922 16.544 1.536 24 2HG PRO 3 1HG PRO 3 -0.822 17.914 1.720 25 1HD PRO 3 2HD PRO 3 -2.604 16.861 3.687 26 2HD PRO 3 1HD PRO 3 -1.618 18.338 3.813 27 H LYS 4 H LYS 4 -5.183 19.995 -0.323 28 HA LYS 4 HA LYS 4 -7.774 19.017 0.337 29 1HB LYS 4 2HB LYS 4 -6.653 19.787 -2.372 30 2HB LYS 4 1HB LYS 4 -8.365 19.617 -1.980 31 1HG LYS 4 2HG LYS 4 -8.319 21.478 -0.498 32 2HG LYS 4 1HG LYS 4 -6.556 21.498 -0.455 33 1HD LYS 4 2HD LYS 4 -6.476 22.165 -2.810 34 2HD LYS 4 1HD LYS 4 -8.233 22.072 -2.915 35 1HE LYS 4 2HE LYS 4 -8.517 23.910 -1.415 36 2HE LYS 4 1HE LYS 4 -6.822 23.866 -0.933 37 1HZ LYS 4 1HZ LYS 4 -6.166 24.927 -2.796 38 2HZ LYS 4 2HZ LYS 4 -7.757 25.524 -2.769 39 3HZ LYS 4 3HZ LYS 4 -7.355 24.212 -3.771 40 H GLY 5 H GLY 5 -8.837 17.144 -0.338 41 1HA GLY 5 2HA GLY 5 -9.076 14.985 -1.260 42 2HA GLY 5 1HA GLY 5 -7.644 15.303 -2.249 43 H SER 6 H SER 6 -6.599 16.228 0.607 44 HA SER 6 HA SER 6 -5.320 13.603 1.155 45 1HB SER 6 2HB SER 6 -3.637 14.796 2.212 46 2HB SER 6 1HB SER 6 -4.226 16.039 1.113 47 HG SER 6 HG SER 6 -5.237 15.654 3.732 48 H LYS 7 H LYS 7 -5.537 12.514 3.165 49 HA LYS 7 HA LYS 7 -7.589 13.629 5.043 50 1HB LYS 7 2HB LYS 7 -7.419 10.682 4.409 51 2HB LYS 7 1HB LYS 7 -8.736 11.564 5.177 52 1HG LYS 7 2HG LYS 7 -7.903 12.111 2.321 53 2HG LYS 7 1HG LYS 7 -9.088 10.874 2.729 54 1HD LYS 7 2HD LYS 7 -10.551 12.496 3.744 55 2HD LYS 7 1HD LYS 7 -9.328 13.760 3.615 56 1HE LYS 7 2HE LYS 7 -11.029 13.951 1.821 57 2HE LYS 7 1HE LYS 7 -9.421 13.636 1.168 58 1HZ LYS 7 1HZ LYS 7 -11.378 11.484 1.731 59 2HZ LYS 7 2HZ LYS 7 -9.944 11.379 0.826 60 3HZ LYS 7 3HZ LYS 7 -11.270 12.253 0.224 61 H ALA 8 H ALA 8 -7.003 13.468 7.176 62 HA ALA 8 HA ALA 8 -4.352 12.319 7.759 63 1HB ALA 8 1HB ALA 8 -4.854 14.473 8.756 64 2HB ALA 8 2HB ALA 8 -4.762 13.272 10.045 65 3HB ALA 8 3HB ALA 8 -6.332 13.837 9.479 66 H TYR 9 H TYR 9 -4.044 10.795 9.525 67 HA TYR 9 HA TYR 9 -6.243 9.409 10.757 68 1HB TYR 9 2HB TYR 9 -6.065 8.679 8.166 69 2HB TYR 9 1HB TYR 9 -4.864 7.579 8.839 70 HD1 TYR 9 1HD TYR 9 -5.669 6.493 11.202 71 HD2 TYR 9 2HD TYR 9 -8.250 7.872 8.056 72 HE1 TYR 9 1HE TYR 9 -7.479 5.019 12.040 73 HE2 TYR 9 2HE TYR 9 -10.059 6.398 8.895 74 HH TYR 9 HH TYR 9 -10.731 5.241 10.843 75 H GLY 10 H GLY 10 -5.413 8.373 12.544 76 1HA GLY 10 2HA GLY 10 -3.822 7.371 13.965 77 2HA GLY 10 1HA GLY 10 -2.791 7.134 12.553 78 H SER 11 H SER 11 -1.723 9.206 11.711 79 HA SER 11 HA SER 11 -1.481 11.523 13.362 80 1HB SER 11 2HB SER 11 0.405 9.257 13.925 81 2HB SER 11 1HB SER 11 0.991 10.912 14.058 82 HG SER 11 HG SER 11 -1.287 9.812 15.356 83 H HIS 12 H HIS 12 -1.545 10.691 10.508 84 HA HIS 12 HA HIS 12 0.721 12.351 9.616 85 1HB HIS 12 2HB HIS 12 0.232 9.600 8.442 86 2HB HIS 12 1HB HIS 12 1.518 10.723 8.011 87 HD1 HIS 12 1HD HIS 12 3.622 10.676 9.405 88 HD2 HIS 12 2HD HIS 12 0.524 8.492 11.137 89 HE1 HIS 12 1HE HIS 12 4.627 9.452 11.383 90 H CYS 13 H CYS 13 0.296 13.294 7.543 91 HA CYS 13 HA CYS 13 -2.561 13.310 6.823 92 1HB CYS 13 2HB CYS 13 -0.228 15.048 6.388 93 2HB CYS 13 1HB CYS 13 -1.248 14.891 4.959 94 H TYR 14 H TYR 14 -3.370 12.035 5.214 95 HA TYR 14 HA TYR 14 -1.417 10.587 3.508 96 1HB TYR 14 2HB TYR 14 -4.346 10.070 4.062 97 2HB TYR 14 1HB TYR 14 -3.341 9.091 2.996 98 HD1 TYR 14 1HD TYR 14 -3.357 10.471 6.488 99 HD2 TYR 14 2HD TYR 14 -2.200 7.251 3.889 100 HE1 TYR 14 1HE TYR 14 -2.526 9.194 8.437 101 HE2 TYR 14 2HE TYR 14 -1.369 5.977 5.849 102 HH TYR 14 HH TYR 14 -1.787 7.204 9.152 103 H ALA 15 H ALA 15 -1.532 10.652 1.256 104 HA ALA 15 HA ALA 15 -3.600 12.406 0.028 105 1HB ALA 15 1HB ALA 15 -0.603 12.746 -0.146 106 2HB ALA 15 2HB ALA 15 -1.820 13.960 0.247 107 3HB ALA 15 3HB ALA 15 -1.673 13.362 -1.406 108 H LEU 16 H LEU 16 -4.257 11.661 -1.964 109 HA LEU 16 HA LEU 16 -3.036 9.114 -2.893 110 1HB LEU 16 2HB LEU 16 -5.409 8.968 -2.604 111 2HB LEU 16 1HB LEU 16 -5.674 10.493 -3.444 112 HG LEU 16 HG LEU 16 -4.904 9.490 -5.550 113 1HD1 LEU 16 1HD1 LEU 16 -4.633 6.923 -5.505 114 2HD1 LEU 16 2HD1 LEU 16 -4.407 7.106 -3.768 115 3HD1 LEU 16 3HD1 LEU 16 -3.290 7.880 -4.887 116 1HD2 LEU 16 1HD2 LEU 16 -6.724 7.696 -5.723 117 2HD2 LEU 16 2HD2 LEU 16 -7.253 9.294 -5.198 118 3HD2 LEU 16 3HD2 LEU 16 -7.041 8.003 -4.016 119 H PHE 17 H PHE 17 -1.927 8.998 -4.812 120 HA PHE 17 HA PHE 17 -1.958 11.393 -6.594 121 1HB PHE 17 2HB PHE 17 0.335 9.662 -5.655 122 2HB PHE 17 1HB PHE 17 0.443 10.587 -7.152 123 HD1 PHE 17 1HD PHE 17 0.644 12.988 -7.136 124 HD2 PHE 17 2HD PHE 17 0.029 10.823 -3.477 125 HE1 PHE 17 1HE PHE 17 1.184 15.030 -5.836 126 HE2 PHE 17 2HE PHE 17 0.569 12.865 -2.178 127 HZ PHE 17 HZ PHE 17 1.148 14.969 -3.357 128 H LEU 18 H LEU 18 -2.955 10.782 -8.440 129 HA LEU 18 HA LEU 18 -3.290 8.006 -9.182 130 1HB LEU 18 2HB LEU 18 -3.664 10.337 -11.068 131 2HB LEU 18 1HB LEU 18 -4.556 8.816 -11.007 132 HG LEU 18 HG LEU 18 -4.687 11.091 -9.010 133 1HD1 LEU 18 1HD1 LEU 18 -6.690 9.832 -10.906 134 2HD1 LEU 18 2HD1 LEU 18 -6.049 11.473 -10.977 135 3HD1 LEU 18 3HD1 LEU 18 -7.118 11.001 -9.656 136 1HD2 LEU 18 1HD2 LEU 18 -4.761 9.047 -7.737 137 2HD2 LEU 18 2HD2 LEU 18 -5.827 8.284 -8.913 138 3HD2 LEU 18 3HD2 LEU 18 -6.425 9.602 -7.906 139 H SER 19 H SER 19 -0.597 9.583 -8.985 140 HA SER 19 HA SER 19 0.437 9.087 -11.711 141 1HB SER 19 2HB SER 19 2.528 9.748 -9.862 142 2HB SER 19 1HB SER 19 1.907 10.693 -11.210 143 HG SER 19 HG SER 19 1.416 11.910 -9.487 144 HA PRO 20 HA PRO 20 1.593 4.923 -10.444 145 1HB PRO 20 2HB PRO 20 3.255 4.701 -12.773 146 2HB PRO 20 1HB PRO 20 1.652 4.011 -12.508 147 1HG PRO 20 2HG PRO 20 2.378 6.190 -14.231 148 2HG PRO 20 1HG PRO 20 0.777 5.493 -13.974 149 1HD PRO 20 2HD PRO 20 1.768 8.042 -13.083 150 2HD PRO 20 1HD PRO 20 0.149 7.340 -12.828 151 H LYS 21 H LYS 21 3.482 3.965 -9.494 152 HA LYS 21 HA LYS 21 6.123 5.139 -9.929 153 1HB LYS 21 2HB LYS 21 4.579 5.683 -7.391 154 2HB LYS 21 1HB LYS 21 6.342 5.663 -7.398 155 1HG LYS 21 2HG LYS 21 6.082 7.308 -9.435 156 2HG LYS 21 1HG LYS 21 4.463 7.562 -8.781 157 1HD LYS 21 2HD LYS 21 5.451 8.133 -6.583 158 2HD LYS 21 1HD LYS 21 7.064 7.929 -7.269 159 1HE LYS 21 2HE LYS 21 6.638 10.265 -7.393 160 2HE LYS 21 1HE LYS 21 6.362 9.664 -9.027 161 1HZ LYS 21 1HZ LYS 21 4.551 11.059 -8.465 162 2HZ LYS 21 2HZ LYS 21 4.322 10.291 -6.967 163 3HZ LYS 21 3HZ LYS 21 3.971 9.467 -8.410 164 H SER 22 H SER 22 7.564 3.474 -9.684 165 HA SER 22 HA SER 22 6.892 0.846 -9.012 166 1HB SER 22 2HB SER 22 9.555 2.186 -8.493 167 2HB SER 22 1HB SER 22 9.279 0.456 -8.639 168 HG SER 22 HG SER 22 8.645 0.785 -10.772 169 H TRP 23 H TRP 23 6.965 -0.379 -7.058 170 HA TRP 23 HA TRP 23 6.098 0.919 -4.692 171 1HB TRP 23 2HB TRP 23 5.768 -1.471 -4.938 172 2HB TRP 23 1HB TRP 23 7.506 -1.742 -5.057 173 HD1 TRP 23 HD TRP 23 4.725 -1.366 -2.587 174 HE1 TRP 23 1HE TRP 23 5.657 -1.517 -0.187 175 HE3 TRP 23 3HE TRP 23 9.730 -1.103 -3.566 176 HZ2 TRP 23 2HZ TRP 23 8.192 -1.525 1.140 177 HZ3 TRP 23 3HZ TRP 23 11.379 -1.184 -1.718 178 HH2 TRP 23 HH TRP 23 10.617 -1.394 0.631 179 H THR 24 H THR 24 9.245 0.494 -6.038 180 HA THR 24 HA THR 24 10.608 1.202 -3.512 181 HB THR 24 HB THR 24 11.499 -0.507 -5.176 182 HG1 THR 24 1HG THR 24 12.834 0.447 -3.620 183 1HG2 THR 24 1HG2 THR 24 12.521 0.241 -7.190 184 2HG2 THR 24 2HG2 THR 24 12.360 1.936 -6.727 185 3HG2 THR 24 3HG2 THR 24 10.932 0.998 -7.154 186 H ASP 25 H ASP 25 9.345 2.675 -6.312 187 HA ASP 25 HA ASP 25 11.035 5.084 -6.129 188 1HB ASP 25 2HB ASP 25 8.759 4.249 -7.934 189 2HB ASP 25 1HB ASP 25 9.378 5.900 -7.935 190 H ALA 26 H ALA 26 7.670 4.104 -5.461 191 HA ALA 26 HA ALA 26 6.926 6.762 -4.544 192 1HB ALA 26 1HB ALA 26 5.376 4.884 -5.419 193 2HB ALA 26 2HB ALA 26 4.841 5.771 -3.996 194 3HB ALA 26 3HB ALA 26 5.560 4.170 -3.823 195 H ASP 27 H ASP 27 8.238 3.806 -3.234 196 HA ASP 27 HA ASP 27 7.897 4.381 -0.456 197 1HB ASP 27 2HB ASP 27 8.488 2.156 -1.215 198 2HB ASP 27 1HB ASP 27 9.964 2.763 -1.965 199 H LEU 28 H LEU 28 10.534 5.055 -2.747 200 HA LEU 28 HA LEU 28 12.187 6.384 -0.774 201 1HB LEU 28 2HB LEU 28 12.718 5.346 -3.198 202 2HB LEU 28 1HB LEU 28 12.478 7.022 -3.681 203 HG LEU 28 HG LEU 28 14.828 6.702 -3.199 204 1HD1 LEU 28 1HD1 LEU 28 13.753 8.076 -0.740 205 2HD1 LEU 28 2HD1 LEU 28 13.537 8.780 -2.343 206 3HD1 LEU 28 3HD1 LEU 28 15.159 8.499 -1.716 207 1HD2 LEU 28 1HD2 LEU 28 15.669 5.529 -1.413 208 2HD2 LEU 28 2HD2 LEU 28 14.085 4.758 -1.464 209 3HD2 LEU 28 3HD2 LEU 28 14.393 6.063 -0.320 210 H ALA 29 H ALA 29 9.797 7.465 -3.157 211 HA ALA 29 HA ALA 29 10.333 10.283 -2.762 212 1HB ALA 29 1HB ALA 29 9.227 9.412 -4.792 213 2HB ALA 29 2HB ALA 29 8.248 10.640 -3.989 214 3HB ALA 29 3HB ALA 29 7.839 8.932 -3.816 215 H CYS 30 H CYS 30 7.551 8.244 -1.717 216 HA CYS 30 HA CYS 30 6.452 10.246 -0.012 217 1HB CYS 30 2HB CYS 30 5.209 8.216 -0.713 218 2HB CYS 30 1HB CYS 30 6.285 7.228 0.274 219 H GLN 31 H GLN 31 9.293 8.392 0.227 220 HA GLN 31 HA GLN 31 9.428 8.416 3.150 221 1HB GLN 31 2HB GLN 31 10.634 6.632 2.134 222 2HB GLN 31 1HB GLN 31 11.397 7.710 0.968 223 1HG GLN 31 2HG GLN 31 12.815 8.666 2.613 224 2HG GLN 31 1HG GLN 31 11.845 8.022 3.938 225 1HE2 GLN 31 1HE2 GLN 31 14.784 7.556 2.664 226 2HE2 GLN 31 2HE2 GLN 31 14.946 5.874 2.822 227 H LYS 32 H LYS 32 10.485 10.414 0.463 228 HA LYS 32 HA LYS 32 12.311 12.030 1.963 229 1HB LYS 32 2HB LYS 32 12.532 13.284 0.038 230 2HB LYS 32 1HB LYS 32 11.811 11.836 -0.662 231 1HG LYS 32 2HG LYS 32 9.538 12.974 -0.235 232 2HG LYS 32 1HG LYS 32 10.463 14.453 0.019 233 1HD LYS 32 2HD LYS 32 11.464 14.225 -2.217 234 2HD LYS 32 1HD LYS 32 10.567 12.728 -2.474 235 1HE LYS 32 2HE LYS 32 9.440 14.667 -3.535 236 2HE LYS 32 1HE LYS 32 8.443 13.941 -2.273 237 1HZ LYS 32 1HZ LYS 32 10.265 16.180 -1.662 238 2HZ LYS 32 2HZ LYS 32 8.883 15.665 -0.816 239 3HZ LYS 32 3HZ LYS 32 8.721 16.472 -2.304 240 H ARG 33 H ARG 33 9.014 11.640 2.223 241 HA ARG 33 HA ARG 33 8.314 14.399 2.888 242 1HB ARG 33 2HB ARG 33 6.929 11.769 2.777 243 2HB ARG 33 1HB ARG 33 6.265 12.949 3.893 244 1HG ARG 33 2HG ARG 33 5.145 13.237 1.774 245 2HG ARG 33 1HG ARG 33 6.222 14.613 1.995 246 1HD ARG 33 2HD ARG 33 7.499 14.035 0.204 247 2HD ARG 33 1HD ARG 33 7.512 12.331 0.654 248 HE ARG 33 HE ARG 33 5.808 12.017 -0.925 249 1HH1 ARG 33 1HH2 ARG 33 6.078 15.325 -0.034 250 2HH1 ARG 33 2HH2 ARG 33 4.664 15.818 -0.904 251 1HH2 ARG 33 1HH1 ARG 33 3.850 12.606 -1.927 252 2HH2 ARG 33 2HH1 ARG 33 3.403 14.278 -1.975 253 HA PRO 34 HA PRO 34 9.386 14.629 7.146 254 1HB PRO 34 2HB PRO 34 6.695 14.970 8.150 255 2HB PRO 34 1HB PRO 34 7.942 16.199 7.921 256 1HG PRO 34 2HG PRO 34 5.591 15.650 6.284 257 2HG PRO 34 1HG PRO 34 6.684 17.038 6.229 258 1HD PRO 34 2HD PRO 34 6.517 15.041 4.276 259 2HD PRO 34 1HD PRO 34 7.891 16.151 4.483 260 H SER 35 H SER 35 9.838 12.256 6.961 261 HA SER 35 HA SER 35 9.723 10.123 7.903 262 1HB SER 35 2HB SER 35 8.944 11.636 9.935 263 2HB SER 35 1HB SER 35 7.375 10.917 9.596 264 HG SER 35 HG SER 35 9.728 9.366 9.832 265 H GLY 36 H GLY 36 7.833 11.284 5.733 266 1HA GLY 36 2HA GLY 36 5.441 9.646 5.932 267 2HA GLY 36 1HA GLY 36 5.969 10.528 4.502 268 H ASN 37 H ASN 37 5.037 8.260 3.764 269 HA ASN 37 HA ASN 37 6.960 6.811 2.394 270 1HB ASN 37 2HB ASN 37 6.879 6.065 5.254 271 2HB ASN 37 1HB ASN 37 6.684 4.697 4.164 272 1HD2 ASN 37 1HD2 ASN 37 8.391 4.585 2.337 273 2HD2 ASN 37 2HD2 ASN 37 9.973 5.066 2.727 274 H LEU 38 H LEU 38 5.936 5.123 1.172 275 HA LEU 38 HA LEU 38 3.415 5.135 0.376 276 1HB LEU 38 2HB LEU 38 4.923 2.661 1.218 277 2HB LEU 38 1HB LEU 38 3.375 2.577 0.381 278 HG LEU 38 HG LEU 38 5.689 4.194 -0.683 279 1HD1 LEU 38 1HD1 LEU 38 6.317 1.774 -0.427 280 2HD1 LEU 38 2HD1 LEU 38 6.283 2.321 -2.102 281 3HD1 LEU 38 3HD1 LEU 38 4.951 1.359 -1.461 282 1HD2 LEU 38 1HD2 LEU 38 2.942 3.736 -1.452 283 2HD2 LEU 38 2HD2 LEU 38 4.018 3.137 -2.709 284 3HD2 LEU 38 3HD2 LEU 38 4.132 4.813 -2.174 285 H VAL 39 H VAL 39 1.363 4.945 1.124 286 HA VAL 39 HA VAL 39 0.519 5.334 3.671 287 HB VAL 39 HB VAL 39 -1.108 5.271 1.947 288 1HG1 VAL 39 1HG1 VAL 39 0.013 3.621 0.501 289 2HG1 VAL 39 2HG1 VAL 39 -1.679 3.188 0.741 290 3HG1 VAL 39 3HG1 VAL 39 -0.416 2.335 1.629 291 1HG2 VAL 39 1HG2 VAL 39 -1.762 2.792 3.545 292 2HG2 VAL 39 2HG2 VAL 39 -2.865 4.036 2.957 293 3HG2 VAL 39 3HG2 VAL 39 -1.762 4.392 4.284 294 H SER 40 H SER 40 -0.215 4.073 5.426 295 HA SER 40 HA SER 40 1.126 1.402 5.685 296 1HB SER 40 2HB SER 40 2.030 2.374 7.531 297 2HB SER 40 1HB SER 40 0.944 3.752 7.413 298 HG SER 40 HG SER 40 -0.674 2.414 8.373 299 H VAL 41 H VAL 41 -0.153 0.052 7.522 300 HA VAL 41 HA VAL 41 -3.012 0.504 7.664 301 HB VAL 41 HB VAL 41 -2.971 -2.034 6.364 302 1HG1 VAL 41 1HG1 VAL 41 -4.880 -0.575 6.326 303 2HG1 VAL 41 2HG1 VAL 41 -4.341 -0.782 4.659 304 3HG1 VAL 41 3HG1 VAL 41 -3.959 0.701 5.531 305 1HG2 VAL 41 1HG2 VAL 41 -0.754 -1.018 5.409 306 2HG2 VAL 41 2HG2 VAL 41 -1.830 0.026 4.482 307 3HG2 VAL 41 3HG2 VAL 41 -1.918 -1.723 4.293 308 H LEU 42 H LEU 42 -2.562 0.137 9.911 309 HA LEU 42 HA LEU 42 -1.862 -2.699 10.604 310 1HB LEU 42 2HB LEU 42 -1.429 -0.126 12.130 311 2HB LEU 42 1HB LEU 42 -1.256 -1.720 12.862 312 HG LEU 42 HG LEU 42 0.211 -0.936 10.343 313 1HD1 LEU 42 1HD1 LEU 42 1.148 -0.740 13.225 314 2HD1 LEU 42 2HD1 LEU 42 0.840 0.624 12.152 315 3HD1 LEU 42 3HD1 LEU 42 2.164 -0.488 11.806 316 1HD2 LEU 42 1HD2 LEU 42 0.155 -3.305 10.681 317 2HD2 LEU 42 2HD2 LEU 42 0.469 -3.134 12.400 318 3HD2 LEU 42 3HD2 LEU 42 1.738 -2.775 11.237 319 H SER 43 H SER 43 -4.557 -1.058 10.138 320 HA SER 43 HA SER 43 -5.914 -2.387 12.432 321 1HB SER 43 2HB SER 43 -7.064 -0.463 13.129 322 2HB SER 43 1HB SER 43 -5.442 0.146 12.814 323 HG SER 43 HG SER 43 -7.691 0.234 11.077 324 H GLY 44 H GLY 44 -8.057 -3.020 11.975 325 1HA GLY 44 2HA GLY 44 -8.666 -3.573 9.234 326 2HA GLY 44 1HA GLY 44 -9.797 -3.746 10.576 327 H ALA 45 H ALA 45 -9.077 -0.769 11.150 328 HA ALA 45 HA ALA 45 -11.300 0.309 9.550 329 1HB ALA 45 1HB ALA 45 -10.925 2.358 10.928 330 2HB ALA 45 2HB ALA 45 -9.546 1.561 11.685 331 3HB ALA 45 3HB ALA 45 -11.171 0.917 11.915 332 H GLU 46 H GLU 46 -7.792 0.628 9.792 333 HA GLU 46 HA GLU 46 -7.608 2.876 7.976 334 1HB GLU 46 2HB GLU 46 -5.631 0.855 9.036 335 2HB GLU 46 1HB GLU 46 -5.163 2.028 7.805 336 1HG GLU 46 2HG GLU 46 -6.543 2.903 10.344 337 2HG GLU 46 1HG GLU 46 -4.794 2.677 10.289 338 H GLY 47 H GLY 47 -7.365 -0.654 7.603 339 1HA GLY 47 2HA GLY 47 -6.619 -0.628 4.837 340 2HA GLY 47 1HA GLY 47 -7.416 -1.974 5.655 341 H SER 48 H SER 48 -9.711 -0.318 6.481 342 HA SER 48 HA SER 48 -11.236 -0.514 3.974 343 1HB SER 48 2HB SER 48 -11.969 0.078 6.845 344 2HB SER 48 1HB SER 48 -13.136 0.249 5.538 345 HG SER 48 HG SER 48 -13.098 -1.877 5.206 346 H PHE 49 H PHE 49 -9.955 1.961 6.118 347 HA PHE 49 HA PHE 49 -11.393 4.170 4.931 348 1HB PHE 49 2HB PHE 49 -10.150 4.093 7.202 349 2HB PHE 49 1HB PHE 49 -8.688 4.388 6.261 350 HD1 PHE 49 1HD PHE 49 -12.100 5.724 6.971 351 HD2 PHE 49 2HD PHE 49 -8.160 6.564 5.477 352 HE1 PHE 49 1HE PHE 49 -12.650 8.140 6.881 353 HE2 PHE 49 2HE PHE 49 -8.712 8.981 5.386 354 HZ PHE 49 HZ PHE 49 -10.954 9.769 6.087 355 H VAL 50 H VAL 50 -8.106 2.838 4.461 356 HA VAL 50 HA VAL 50 -7.288 4.686 2.460 357 HB VAL 50 HB VAL 50 -6.533 1.771 2.829 358 1HG1 VAL 50 1HG1 VAL 50 -4.467 2.546 1.527 359 2HG1 VAL 50 2HG1 VAL 50 -5.420 3.955 1.060 360 3HG1 VAL 50 3HG1 VAL 50 -5.947 2.339 0.589 361 1HG2 VAL 50 1HG2 VAL 50 -4.592 2.664 3.989 362 2HG2 VAL 50 2HG2 VAL 50 -6.037 3.362 4.719 363 3HG2 VAL 50 3HG2 VAL 50 -5.070 4.316 3.596 364 H SER 51 H SER 51 -9.031 1.591 2.220 365 HA SER 51 HA SER 51 -9.150 1.400 -0.599 366 1HB SER 51 2HB SER 51 -9.957 -0.470 0.601 367 2HB SER 51 1HB SER 51 -11.019 0.518 1.600 368 HG SER 51 HG SER 51 -11.687 -0.751 -0.545 369 H SER 52 H SER 52 -11.209 3.205 1.667 370 HA SER 52 HA SER 52 -13.023 4.148 -0.389 371 1HB SER 52 2HB SER 52 -13.857 4.144 1.849 372 2HB SER 52 1HB SER 52 -12.455 5.024 2.450 373 HG SER 52 HG SER 52 -14.674 6.084 1.779 374 H LEU 53 H LEU 53 -9.911 5.158 0.784 375 HA LEU 53 HA LEU 53 -10.108 7.884 -0.245 376 1HB LEU 53 2HB LEU 53 -8.578 7.678 1.531 377 2HB LEU 53 1HB LEU 53 -7.922 6.169 0.913 378 HG LEU 53 HG LEU 53 -6.925 7.437 -1.007 379 1HD1 LEU 53 1HD1 LEU 53 -7.843 9.839 0.616 380 2HD1 LEU 53 2HD1 LEU 53 -8.487 9.362 -0.955 381 3HD1 LEU 53 3HD1 LEU 53 -6.815 9.902 -0.815 382 1HD2 LEU 53 1HD2 LEU 53 -5.654 6.920 1.086 383 2HD2 LEU 53 2HD2 LEU 53 -6.132 8.493 1.725 384 3HD2 LEU 53 3HD2 LEU 53 -5.104 8.398 0.296 385 H VAL 54 H VAL 54 -9.217 4.755 -1.476 386 HA VAL 54 HA VAL 54 -8.326 6.051 -4.024 387 HB VAL 54 HB VAL 54 -6.866 4.135 -4.392 388 1HG1 VAL 54 1HG1 VAL 54 -6.253 6.119 -2.824 389 2HG1 VAL 54 2HG1 VAL 54 -5.230 4.685 -2.785 390 3HG1 VAL 54 3HG1 VAL 54 -6.430 4.947 -1.519 391 1HG2 VAL 54 1HG2 VAL 54 -8.246 3.110 -1.912 392 2HG2 VAL 54 2HG2 VAL 54 -6.625 2.551 -2.325 393 3HG2 VAL 54 3HG2 VAL 54 -7.963 2.278 -3.440 394 H LYS 55 H LYS 55 -11.026 4.934 -2.929 395 HA LYS 55 HA LYS 55 -11.649 2.655 -4.595 396 1HB LYS 55 2HB LYS 55 -12.963 3.311 -2.568 397 2HB LYS 55 1HB LYS 55 -13.548 4.724 -3.447 398 1HG LYS 55 2HG LYS 55 -14.507 3.231 -5.182 399 2HG LYS 55 1HG LYS 55 -13.963 1.830 -4.261 400 1HD LYS 55 2HD LYS 55 -15.651 3.890 -2.874 401 2HD LYS 55 1HD LYS 55 -16.434 2.757 -3.973 402 1HE LYS 55 2HE LYS 55 -14.549 1.797 -1.821 403 2HE LYS 55 1HE LYS 55 -16.260 2.065 -1.493 404 1HZ LYS 55 1HZ LYS 55 -15.951 -0.201 -2.119 405 2HZ LYS 55 2HZ LYS 55 -15.095 0.237 -3.521 406 3HZ LYS 55 3HZ LYS 55 -16.753 0.582 -3.393 407 H SER 56 H SER 56 -11.633 6.115 -5.094 408 HA SER 56 HA SER 56 -12.997 5.819 -7.721 409 1HB SER 56 2HB SER 56 -11.983 8.376 -6.463 410 2HB SER 56 1HB SER 56 -13.188 8.202 -7.736 411 HG SER 56 HG SER 56 -13.386 7.756 -4.979 412 H ILE 57 H ILE 57 -10.437 4.632 -7.369 413 HA ILE 57 HA ILE 57 -8.236 6.176 -8.163 414 HB ILE 57 HB ILE 57 -7.678 4.039 -7.476 415 1HG1 ILE 57 2HG1 ILE 57 -6.757 2.798 -9.328 416 2HG1 ILE 57 1HG1 ILE 57 -7.904 3.518 -10.450 417 1HG2 ILE 57 1HG2 ILE 57 -10.116 3.190 -9.022 418 2HG2 ILE 57 2HG2 ILE 57 -9.770 2.994 -7.308 419 3HG2 ILE 57 3HG2 ILE 57 -8.927 2.001 -8.493 420 1HD1 ILE 57 1HD1 ILE 57 -6.658 5.411 -10.683 421 2HD1 ILE 57 2HD1 ILE 57 -5.350 4.443 -10.014 422 3HD1 ILE 57 3HD1 ILE 57 -6.290 5.487 -8.963 423 H GLY 58 H GLY 58 -10.213 4.104 -10.334 424 1HA GLY 58 2HA GLY 58 -11.049 5.620 -12.336 425 2HA GLY 58 1HA GLY 58 -9.316 5.790 -12.615 426 H ASN 59 H ASN 59 -11.375 4.494 -14.321 427 HA ASN 59 HA ASN 59 -11.259 1.684 -14.219 428 1HB ASN 59 2HB ASN 59 -11.565 3.610 -16.524 429 2HB ASN 59 1HB ASN 59 -11.636 1.861 -16.749 430 1HD2 ASN 59 1HD2 ASN 59 -13.511 4.602 -15.928 431 2HD2 ASN 59 2HD2 ASN 59 -14.869 3.784 -15.322 432 H SER 60 H SER 60 -9.104 3.970 -15.922 433 HA SER 60 HA SER 60 -7.398 1.931 -17.022 434 1HB SER 60 2HB SER 60 -7.423 4.216 -17.922 435 2HB SER 60 1HB SER 60 -6.815 4.842 -16.392 436 HG SER 60 HG SER 60 -5.502 2.931 -18.040 437 H TYR 61 H TYR 61 -8.006 2.031 -13.985 438 HA TYR 61 HA TYR 61 -5.351 1.144 -13.152 439 1HB TYR 61 2HB TYR 61 -6.571 3.673 -12.078 440 2HB TYR 61 1HB TYR 61 -5.352 2.755 -11.193 441 HD1 TYR 61 1HD TYR 61 -5.824 5.398 -13.440 442 HD2 TYR 61 2HD TYR 61 -3.254 2.028 -12.727 443 HE1 TYR 61 1HE TYR 61 -4.045 6.464 -14.802 444 HE2 TYR 61 2HE TYR 61 -1.477 3.094 -14.089 445 HH TYR 61 HH TYR 61 -1.018 4.763 -15.527 446 H SER 62 H SER 62 -5.796 -0.636 -11.963 447 HA SER 62 HA SER 62 -8.349 -0.683 -10.390 448 1HB SER 62 2HB SER 62 -7.838 -3.282 -10.628 449 2HB SER 62 1HB SER 62 -8.648 -2.398 -11.920 450 HG SER 62 HG SER 62 -5.835 -2.561 -11.805 451 H TYR 63 H TYR 63 -4.884 -1.408 -10.342 452 HA TYR 63 HA TYR 63 -5.171 -2.163 -7.470 453 1HB TYR 63 2HB TYR 63 -3.027 -2.687 -9.517 454 2HB TYR 63 1HB TYR 63 -2.742 -2.920 -7.791 455 HD1 TYR 63 1HD TYR 63 -5.369 -3.723 -10.357 456 HD2 TYR 63 2HD TYR 63 -3.155 -5.042 -6.921 457 HE1 TYR 63 1HE TYR 63 -6.510 -5.918 -10.461 458 HE2 TYR 63 2HE TYR 63 -4.293 -7.241 -7.034 459 HH TYR 63 HH TYR 63 -6.079 -8.251 -9.727 460 H VAL 64 H VAL 64 -3.471 -1.366 -5.987 461 HA VAL 64 HA VAL 64 -2.304 1.270 -6.767 462 HB VAL 64 HB VAL 64 -4.029 0.730 -4.326 463 1HG1 VAL 64 1HG1 VAL 64 -2.034 2.354 -4.096 464 2HG1 VAL 64 2HG1 VAL 64 -3.626 2.929 -3.610 465 3HG1 VAL 64 3HG1 VAL 64 -2.957 3.410 -5.166 466 1HG2 VAL 64 1HG2 VAL 64 -5.387 0.974 -6.313 467 2HG2 VAL 64 2HG2 VAL 64 -4.468 2.393 -6.815 468 3HG2 VAL 64 3HG2 VAL 64 -5.499 2.470 -5.385 469 H TRP 65 H TRP 65 -0.312 1.663 -5.738 470 HA TRP 65 HA TRP 65 0.927 -0.634 -4.426 471 1HB TRP 65 2HB TRP 65 1.809 1.954 -5.531 472 2HB TRP 65 1HB TRP 65 2.722 1.436 -4.123 473 HD1 TRP 65 HD TRP 65 3.577 1.595 -7.298 474 HE1 TRP 65 1HE TRP 65 4.766 -0.453 -8.296 475 HE3 TRP 65 3HE TRP 65 2.165 -1.997 -3.931 476 HZ2 TRP 65 2HZ TRP 65 5.050 -3.229 -7.770 477 HZ3 TRP 65 3HZ TRP 65 2.914 -4.333 -4.225 478 HH2 TRP 65 HH TRP 65 4.356 -4.955 -6.136 479 H ILE 66 H ILE 66 1.685 -0.697 -2.240 480 HA ILE 66 HA ILE 66 0.932 1.608 -0.509 481 HB ILE 66 HB ILE 66 0.069 0.009 1.222 482 1HG1 ILE 66 2HG1 ILE 66 0.228 -1.957 -1.076 483 2HG1 ILE 66 1HG1 ILE 66 1.132 -2.044 0.435 484 1HG2 ILE 66 1HG2 ILE 66 -1.486 -0.278 -1.353 485 2HG2 ILE 66 2HG2 ILE 66 -1.371 1.261 -0.501 486 3HG2 ILE 66 3HG2 ILE 66 -2.117 -0.130 0.286 487 1HD1 ILE 66 1HD1 ILE 66 -1.130 -2.066 1.626 488 2HD1 ILE 66 2HD1 ILE 66 -0.731 -3.520 0.711 489 3HD1 ILE 66 3HD1 ILE 66 -1.854 -2.336 0.041 490 H GLY 67 H GLY 67 1.967 1.122 1.784 491 1HA GLY 67 2HA GLY 67 4.768 0.505 1.266 492 2HA GLY 67 1HA GLY 67 4.106 1.130 2.777 493 H LEU 68 H LEU 68 3.682 -1.828 0.813 494 HA LEU 68 HA LEU 68 4.236 -3.383 3.305 495 1HB LEU 68 2HB LEU 68 1.753 -3.290 2.415 496 2HB LEU 68 1HB LEU 68 2.349 -4.440 1.227 497 HG LEU 68 HG LEU 68 1.607 -5.870 2.917 498 1HD1 LEU 68 1HD1 LEU 68 4.041 -6.284 2.459 499 2HD1 LEU 68 2HD1 LEU 68 3.520 -6.804 4.057 500 3HD1 LEU 68 3HD1 LEU 68 4.426 -5.312 3.878 501 1HD2 LEU 68 1HD2 LEU 68 0.913 -4.357 4.576 502 2HD2 LEU 68 2HD2 LEU 68 2.540 -3.716 4.806 503 3HD2 LEU 68 3HD2 LEU 68 2.140 -5.336 5.377 504 H HIS 69 H HIS 69 5.892 -4.801 3.022 505 HA HIS 69 HA HIS 69 6.399 -5.880 0.299 506 1HB HIS 69 2HB HIS 69 8.755 -5.378 0.409 507 2HB HIS 69 1HB HIS 69 7.877 -3.876 0.702 508 HD1 HIS 69 1HD HIS 69 10.449 -5.987 2.159 509 HD2 HIS 69 2HD HIS 69 7.550 -3.399 3.633 510 HE1 HIS 69 1HE HIS 69 11.101 -5.470 4.552 511 H ASP 70 H ASP 70 8.382 -7.466 0.596 512 HA ASP 70 HA ASP 70 7.539 -9.364 2.712 513 1HB ASP 70 2HB ASP 70 9.210 -9.638 0.212 514 2HB ASP 70 1HB ASP 70 9.112 -10.921 1.419 515 HA PRO 71 HA PRO 71 11.160 -7.754 4.928 516 1HB PRO 71 2HB PRO 71 10.758 -9.769 6.944 517 2HB PRO 71 1HB PRO 71 10.399 -8.043 7.040 518 1HG PRO 71 2HG PRO 71 8.546 -10.216 6.849 519 2HG PRO 71 1HG PRO 71 8.190 -8.493 6.939 520 1HD PRO 71 2HD PRO 71 7.926 -10.236 4.657 521 2HD PRO 71 1HD PRO 71 7.557 -8.495 4.754 522 H THR 72 H THR 72 10.519 -10.945 3.783 523 HA THR 72 HA THR 72 13.310 -11.838 4.320 524 HB THR 72 HB THR 72 12.544 -14.001 4.119 525 HG1 THR 72 1HG THR 72 11.192 -12.895 2.007 526 1HG2 THR 72 1HG2 THR 72 9.825 -12.735 4.453 527 2HG2 THR 72 2HG2 THR 72 11.042 -12.666 5.726 528 3HG2 THR 72 3HG2 THR 72 10.432 -14.225 5.174 529 H GLN 73 H GLN 73 11.613 -10.203 1.947 530 HA GLN 73 HA GLN 73 12.047 -9.768 -0.318 531 1HB GLN 73 2HB GLN 73 14.811 -10.762 0.448 532 2HB GLN 73 1HB GLN 73 14.412 -9.775 -0.958 533 1HG GLN 73 2HG GLN 73 13.449 -8.071 0.693 534 2HG GLN 73 1HG GLN 73 14.255 -9.000 1.958 535 1HE2 GLN 73 1HE2 GLN 73 14.816 -6.931 -0.868 536 2HE2 GLN 73 2HE2 GLN 73 16.471 -6.689 -0.581 537 H GLY 74 H GLY 74 10.855 -12.269 0.169 538 1HA GLY 74 2HA GLY 74 10.314 -14.073 -1.288 539 2HA GLY 74 1HA GLY 74 11.777 -13.731 -2.214 540 H THR 75 H THR 75 13.283 -13.682 0.463 541 HA THR 75 HA THR 75 14.011 -16.507 0.411 542 HB THR 75 HB THR 75 15.767 -15.908 1.913 543 HG1 THR 75 1HG THR 75 15.680 -14.102 3.168 544 1HG2 THR 75 1HG2 THR 75 15.981 -14.954 -0.363 545 2HG2 THR 75 2HG2 THR 75 16.753 -13.930 0.848 546 3HG2 THR 75 3HG2 THR 75 15.178 -13.483 0.191 547 H GLU 76 H GLU 76 11.263 -15.738 1.317 548 HA GLU 76 HA GLU 76 11.179 -16.192 4.181 549 1HB GLU 76 2HB GLU 76 8.720 -16.411 3.817 550 2HB GLU 76 1HB GLU 76 9.383 -14.944 3.096 551 1HG GLU 76 2HG GLU 76 9.645 -16.433 0.950 552 2HG GLU 76 1HG GLU 76 8.454 -17.466 1.739 553 HA PRO 77 HA PRO 77 11.669 -20.632 3.983 554 1HB PRO 77 2HB PRO 77 10.057 -21.028 6.335 555 2HB PRO 77 1HB PRO 77 11.817 -21.060 6.198 556 1HG PRO 77 2HG PRO 77 10.165 -19.032 7.399 557 2HG PRO 77 1HG PRO 77 11.927 -19.101 7.319 558 1HD PRO 77 2HD PRO 77 10.190 -17.326 5.887 559 2HD PRO 77 1HD PRO 77 11.959 -17.472 5.731 560 H ASN 78 H ASN 78 8.482 -20.204 5.510 561 HA ASN 78 HA ASN 78 7.326 -21.901 3.349 562 1HB ASN 78 2HB ASN 78 6.465 -21.272 6.178 563 2HB ASN 78 1HB ASN 78 5.371 -22.029 5.020 564 1HD2 ASN 78 1HD2 ASN 78 8.896 -22.512 5.644 565 2HD2 ASN 78 2HD2 ASN 78 8.769 -24.188 5.887 566 H GLY 79 H GLY 79 7.457 -18.684 4.469 567 1HA GLY 79 2HA GLY 79 6.545 -16.894 3.070 568 2HA GLY 79 1HA GLY 79 5.201 -17.956 2.652 569 H GLU 80 H GLU 80 6.564 -15.935 5.199 570 HA GLU 80 HA GLU 80 3.931 -15.276 6.192 571 1HB GLU 80 2HB GLU 80 4.125 -16.290 8.417 572 2HB GLU 80 1HB GLU 80 4.180 -17.540 7.177 573 1HG GLU 80 2HG GLU 80 6.134 -18.245 8.073 574 2HG GLU 80 1HG GLU 80 6.864 -16.738 7.524 575 H GLY 81 H GLY 81 5.201 -13.283 5.575 576 1HA GLY 81 2HA GLY 81 6.635 -12.257 7.978 577 2HA GLY 81 1HA GLY 81 7.377 -12.068 6.388 578 H TRP 82 H TRP 82 6.254 -10.759 4.807 579 HA TRP 82 HA TRP 82 5.241 -8.734 4.214 580 1HB TRP 82 2HB TRP 82 2.876 -9.045 5.906 581 2HB TRP 82 1HB TRP 82 3.000 -9.037 4.150 582 HD1 TRP 82 HD TRP 82 4.760 -11.596 3.692 583 HE1 TRP 82 1HE TRP 82 3.786 -13.934 4.169 584 HE3 TRP 82 3HE TRP 82 0.978 -10.340 6.885 585 HZ2 TRP 82 2HZ TRP 82 1.675 -15.116 5.701 586 HZ3 TRP 82 3HZ TRP 82 -0.498 -12.088 7.836 587 HH2 TRP 82 HH TRP 82 -0.154 -14.472 7.247 588 H GLU 83 H GLU 83 6.304 -6.983 5.068 589 HA GLU 83 HA GLU 83 5.458 -6.081 7.796 590 1HB GLU 83 2HB GLU 83 7.688 -6.727 8.191 591 2HB GLU 83 1HB GLU 83 8.220 -6.217 6.588 592 1HG GLU 83 2HG GLU 83 8.164 -3.925 7.173 593 2HG GLU 83 1HG GLU 83 7.164 -4.225 8.595 594 H TRP 84 H TRP 84 4.998 -3.858 7.916 595 HA TRP 84 HA TRP 84 4.554 -2.530 5.374 596 1HB TRP 84 2HB TRP 84 4.290 -0.988 7.890 597 2HB TRP 84 1HB TRP 84 3.157 -1.148 6.546 598 HD1 TRP 84 HD TRP 84 4.439 -3.126 9.590 599 HE1 TRP 84 1HE TRP 84 2.595 -4.765 10.329 600 HE3 TRP 84 3HE TRP 84 1.017 -2.314 5.901 601 HZ2 TRP 84 2HZ TRP 84 0.004 -5.621 9.465 602 HZ3 TRP 84 3HZ TRP 84 -1.132 -3.550 5.880 603 HH2 TRP 84 HH TRP 84 -1.641 -5.201 7.659 604 H SER 85 H SER 85 5.835 -0.977 4.465 605 HA SER 85 HA SER 85 8.401 -0.415 5.786 606 1HB SER 85 2HB SER 85 8.932 0.782 3.663 607 2HB SER 85 1HB SER 85 8.420 -0.879 3.378 608 HG SER 85 HG SER 85 6.639 1.325 3.355 609 H SER 86 H SER 86 5.385 0.765 6.060 610 HA SER 86 HA SER 86 6.393 3.447 6.859 611 1HB SER 86 2HB SER 86 5.052 3.207 4.555 612 2HB SER 86 1HB SER 86 3.671 3.264 5.643 613 HG SER 86 HG SER 86 4.644 5.328 4.796 614 H SER 87 H SER 87 5.062 0.659 7.968 615 HA SER 87 HA SER 87 3.318 2.186 9.890 616 1HB SER 87 2HB SER 87 2.417 0.251 8.203 617 2HB SER 87 1HB SER 87 2.806 -0.710 9.626 618 HG SER 87 HG SER 87 1.663 1.286 10.661 619 H ASP 88 H ASP 88 5.249 -0.825 9.645 620 HA ASP 88 HA ASP 88 7.095 -0.594 11.593 621 1HB ASP 88 2HB ASP 88 4.398 -0.671 12.907 622 2HB ASP 88 1HB ASP 88 5.700 -1.577 13.669 623 H VAL 89 H VAL 89 4.852 -2.885 12.833 624 HA VAL 89 HA VAL 89 6.178 -5.049 11.239 625 HB VAL 89 HB VAL 89 6.870 -4.979 13.640 626 1HG1 VAL 89 1HG1 VAL 89 4.000 -5.733 14.236 627 2HG1 VAL 89 2HG1 VAL 89 4.598 -4.079 14.384 628 3HG1 VAL 89 3HG1 VAL 89 5.282 -5.358 15.387 629 1HG2 VAL 89 1HG2 VAL 89 6.618 -7.326 13.999 630 2HG2 VAL 89 2HG2 VAL 89 6.614 -7.119 12.247 631 3HG2 VAL 89 3HG2 VAL 89 5.096 -7.373 13.108 632 H MET 90 H MET 90 4.826 -7.020 11.018 633 HA MET 90 HA MET 90 2.226 -6.431 10.020 634 1HB MET 90 2HB MET 90 3.753 -8.449 9.515 635 2HB MET 90 1HB MET 90 3.079 -9.162 10.978 636 1HG MET 90 2HG MET 90 0.778 -8.419 9.821 637 2HG MET 90 1HG MET 90 1.754 -8.590 8.363 638 1HE MET 90 1HE MET 90 0.313 -11.625 11.362 639 2HE MET 90 2HE MET 90 0.530 -9.887 11.538 640 3HE MET 90 3HE MET 90 1.888 -10.971 11.829 641 H ASN 91 H ASN 91 1.088 -5.299 11.746 642 HA ASN 91 HA ASN 91 0.372 -7.037 14.078 643 1HB ASN 91 2HB ASN 91 1.195 -4.432 14.119 644 2HB ASN 91 1HB ASN 91 -0.553 -4.213 14.029 645 1HD2 ASN 91 1HD2 ASN 91 1.216 -3.695 16.380 646 2HD2 ASN 91 2HD2 ASN 91 0.629 -4.686 17.625 647 H TYR 92 H TYR 92 -0.661 -6.142 11.059 648 HA TYR 92 HA TYR 92 -3.474 -6.806 11.752 649 1HB TYR 92 2HB TYR 92 -3.352 -4.387 11.322 650 2HB TYR 92 1HB TYR 92 -2.581 -4.700 9.767 651 HD1 TYR 92 1HD TYR 92 -5.553 -6.122 11.599 652 HD2 TYR 92 2HD TYR 92 -4.029 -4.387 7.972 653 HE1 TYR 92 1HE TYR 92 -7.772 -6.392 10.536 654 HE2 TYR 92 2HE TYR 92 -6.254 -4.659 6.913 655 HH TYR 92 HH TYR 92 -8.757 -4.820 7.914 656 H PHE 93 H PHE 93 -4.619 -7.907 9.982 657 HA PHE 93 HA PHE 93 -2.827 -8.925 7.815 658 1HB PHE 93 2HB PHE 93 -3.909 -11.183 8.149 659 2HB PHE 93 1HB PHE 93 -2.852 -10.681 9.468 660 HD1 PHE 93 1HD PHE 93 -3.858 -9.681 11.554 661 HD2 PHE 93 2HD PHE 93 -6.244 -11.530 8.498 662 HE1 PHE 93 1HE PHE 93 -5.748 -9.877 13.148 663 HE2 PHE 93 2HE PHE 93 -8.134 -11.725 10.091 664 HZ PHE 93 HZ PHE 93 -7.886 -10.898 12.417 665 H ALA 94 H ALA 94 -3.847 -9.187 5.832 666 HA ALA 94 HA ALA 94 -6.689 -9.441 5.499 667 1HB ALA 94 1HB ALA 94 -5.947 -6.794 4.409 668 2HB ALA 94 2HB ALA 94 -6.013 -6.870 6.168 669 3HB ALA 94 3HB ALA 94 -7.430 -7.304 5.217 670 H TRP 95 H TRP 95 -3.976 -10.338 4.464 671 HA TRP 95 HA TRP 95 -3.764 -9.456 1.725 672 1HB TRP 95 2HB TRP 95 -2.461 -11.741 1.571 673 2HB TRP 95 1HB TRP 95 -1.785 -10.416 2.518 674 HD1 TRP 95 HD TRP 95 -1.460 -10.785 5.042 675 HE1 TRP 95 1HE TRP 95 -1.967 -12.722 6.668 676 HE3 TRP 95 3HE TRP 95 -4.277 -13.774 2.006 677 HZ2 TRP 95 2HZ TRP 95 -3.381 -15.207 6.680 678 HZ3 TRP 95 3HZ TRP 95 -5.190 -15.918 2.849 679 HH2 TRP 95 HH TRP 95 -4.746 -16.637 5.179 680 H GLU 96 H GLU 96 -4.307 -10.729 -0.184 681 HA GLU 96 HA GLU 96 -6.941 -11.915 -0.020 682 1HB GLU 96 2HB GLU 96 -5.629 -10.711 -2.022 683 2HB GLU 96 1HB GLU 96 -5.206 -12.375 -2.417 684 1HG GLU 96 2HG GLU 96 -8.021 -11.315 -2.019 685 2HG GLU 96 1HG GLU 96 -7.278 -11.704 -3.571 686 H ARG 97 H ARG 97 -3.689 -13.252 -0.667 687 HA ARG 97 HA ARG 97 -4.626 -15.856 0.412 688 1HB ARG 97 2HB ARG 97 -3.486 -15.396 -2.350 689 2HB ARG 97 1HB ARG 97 -3.373 -16.965 -1.551 690 1HG ARG 97 2HG ARG 97 -5.829 -17.009 -1.288 691 2HG ARG 97 1HG ARG 97 -5.941 -15.448 -2.102 692 1HD ARG 97 2HD ARG 97 -4.690 -16.566 -4.054 693 2HD ARG 97 1HD ARG 97 -5.061 -18.097 -3.259 694 HE ARG 97 HE ARG 97 -7.511 -16.796 -3.403 695 1HH1 ARG 97 1HH2 ARG 97 -5.580 -18.814 -5.231 696 2HH1 ARG 97 2HH2 ARG 97 -6.386 -18.529 -6.737 697 1HH2 ARG 97 1HH1 ARG 97 -8.323 -15.926 -5.512 698 2HH2 ARG 97 2HH1 ARG 97 -7.938 -16.893 -6.896 699 H ASN 98 H ASN 98 -2.758 -17.280 0.939 700 HA ASN 98 HA ASN 98 -0.559 -15.698 2.019 701 1HB ASN 98 2HB ASN 98 -1.091 -18.682 2.015 702 2HB ASN 98 1HB ASN 98 0.250 -17.914 2.866 703 1HD2 ASN 98 1HD2 ASN 98 -0.189 -17.077 4.933 704 2HD2 ASN 98 2HD2 ASN 98 -1.745 -16.923 5.592 705 HA PRO 99 HA PRO 99 2.171 -16.057 -1.472 706 1HB PRO 99 2HB PRO 99 4.500 -16.495 0.166 707 2HB PRO 99 1HB PRO 99 3.988 -15.005 -0.628 708 1HG PRO 99 2HG PRO 99 3.879 -15.667 2.183 709 2HG PRO 99 1HG PRO 99 3.490 -14.133 1.398 710 1HD PRO 99 2HD PRO 99 1.652 -15.958 2.587 711 2HD PRO 99 1HD PRO 99 1.253 -14.520 1.615 712 H SER 100 H SER 100 2.133 -18.488 1.052 713 HA SER 100 HA SER 100 3.801 -20.432 -0.256 714 1HB SER 100 2HB SER 100 3.020 -20.426 2.188 715 2HB SER 100 1HB SER 100 1.490 -21.063 1.591 716 HG SER 100 HG SER 100 3.936 -22.276 1.864 717 H THR 101 H THR 101 0.906 -19.134 -1.232 718 HA THR 101 HA THR 101 0.209 -21.606 -2.780 719 HB THR 101 HB THR 101 -2.136 -20.813 -2.756 720 HG1 THR 101 1HG THR 101 -1.250 -18.904 -0.869 721 1HG2 THR 101 1HG2 THR 101 -0.859 -21.027 -0.015 722 2HG2 THR 101 2HG2 THR 101 -1.398 -22.376 -1.017 723 3HG2 THR 101 3HG2 THR 101 -2.576 -21.241 -0.356 724 H ILE 102 H ILE 102 1.950 -19.144 -3.339 725 HA ILE 102 HA ILE 102 0.648 -18.461 -5.945 726 HB ILE 102 HB ILE 102 2.049 -16.558 -4.043 727 1HG1 ILE 102 2HG1 ILE 102 -0.754 -16.451 -5.192 728 2HG1 ILE 102 1HG1 ILE 102 -0.385 -17.172 -3.625 729 1HG2 ILE 102 1HG2 ILE 102 2.739 -15.920 -6.230 730 2HG2 ILE 102 2HG2 ILE 102 1.368 -14.874 -5.863 731 3HG2 ILE 102 3HG2 ILE 102 1.155 -16.272 -6.917 732 1HD1 ILE 102 1HD1 ILE 102 0.228 -14.312 -4.429 733 2HD1 ILE 102 2HD1 ILE 102 0.578 -15.037 -2.861 734 3HD1 ILE 102 3HD1 ILE 102 -1.093 -14.817 -3.377 735 H SER 103 H SER 103 2.027 -18.663 -7.665 736 HA SER 103 HA SER 103 4.573 -19.904 -7.367 737 1HB SER 103 2HB SER 103 3.460 -18.317 -9.698 738 2HB SER 103 1HB SER 103 4.892 -19.341 -9.772 739 HG SER 103 HG SER 103 3.403 -21.029 -8.926 740 H SER 104 H SER 104 6.221 -18.902 -6.297 741 HA SER 104 HA SER 104 7.686 -17.190 -5.607 742 1HB SER 104 2HB SER 104 8.736 -17.507 -7.697 743 2HB SER 104 1HB SER 104 7.381 -16.809 -8.582 744 HG SER 104 HG SER 104 9.555 -15.602 -7.592 745 HA PRO 105 HA PRO 105 4.299 -14.058 -5.211 746 1HB PRO 105 2HB PRO 105 5.194 -13.652 -2.504 747 2HB PRO 105 1HB PRO 105 3.697 -14.406 -3.057 748 1HG PRO 105 2HG PRO 105 5.887 -15.699 -1.811 749 2HG PRO 105 1HG PRO 105 4.479 -16.471 -2.549 750 1HD PRO 105 2HD PRO 105 7.233 -16.323 -3.553 751 2HD PRO 105 1HD PRO 105 5.888 -17.344 -4.121 752 H GLY 106 H GLY 106 4.634 -11.897 -5.665 753 1HA GLY 106 2HA GLY 106 7.218 -10.802 -6.046 754 2HA GLY 106 1HA GLY 106 5.746 -9.840 -5.894 755 H HIS 107 H HIS 107 8.129 -8.888 -4.799 756 HA HIS 107 HA HIS 107 7.963 -9.491 -1.889 757 1HB HIS 107 2HB HIS 107 9.937 -7.537 -3.013 758 2HB HIS 107 1HB HIS 107 10.129 -8.690 -1.694 759 HD1 HIS 107 1HD HIS 107 11.287 -10.835 -2.264 760 HD2 HIS 107 2HD HIS 107 9.848 -8.923 -5.662 761 HE1 HIS 107 1HE HIS 107 12.098 -12.166 -4.255 762 H CYS 108 H CYS 108 5.972 -7.859 -3.511 763 HA CYS 108 HA CYS 108 5.842 -5.607 -1.601 764 1HB CYS 108 2HB CYS 108 6.027 -5.289 -4.596 765 2HB CYS 108 1HB CYS 108 5.292 -4.057 -3.569 766 H ALA 109 H ALA 109 3.674 -4.803 -1.356 767 HA ALA 109 HA ALA 109 1.612 -6.525 -2.682 768 1HB ALA 109 1HB ALA 109 0.792 -5.278 -0.156 769 2HB ALA 109 2HB ALA 109 2.166 -6.370 0.024 770 3HB ALA 109 3HB ALA 109 0.661 -6.958 -0.677 771 H SER 110 H SER 110 -0.353 -5.557 -3.242 772 HA SER 110 HA SER 110 -0.550 -2.590 -3.104 773 1HB SER 110 2HB SER 110 -1.454 -2.913 -5.596 774 2HB SER 110 1HB SER 110 0.261 -2.677 -5.281 775 HG SER 110 HG SER 110 0.199 -4.474 -6.495 776 H LEU 111 H LEU 111 -2.838 -1.909 -3.711 777 HA LEU 111 HA LEU 111 -4.750 -3.814 -2.520 778 1HB LEU 111 2HB LEU 111 -5.109 -0.992 -3.576 779 2HB LEU 111 1HB LEU 111 -6.357 -1.918 -2.760 780 HG LEU 111 HG LEU 111 -3.863 -1.861 -1.222 781 1HD1 LEU 111 1HD1 LEU 111 -3.520 0.341 -2.129 782 2HD1 LEU 111 2HD1 LEU 111 -4.209 0.556 -0.521 783 3HD1 LEU 111 3HD1 LEU 111 -5.226 0.745 -1.948 784 1HD2 LEU 111 1HD2 LEU 111 -6.230 -2.499 -0.491 785 2HD2 LEU 111 2HD2 LEU 111 -6.598 -0.774 -0.510 786 3HD2 LEU 111 3HD2 LEU 111 -5.364 -1.400 0.583 787 H SER 112 H SER 112 -6.551 -4.658 -3.683 788 HA SER 112 HA SER 112 -6.268 -4.543 -6.668 789 1HB SER 112 2HB SER 112 -7.116 -6.772 -6.752 790 2HB SER 112 1HB SER 112 -5.926 -6.768 -5.454 791 HG SER 112 HG SER 112 -8.661 -6.238 -4.985 792 H ARG 113 H ARG 113 -7.840 -3.324 -7.599 793 HA ARG 113 HA ARG 113 -10.136 -2.321 -6.285 794 1HB ARG 113 2HB ARG 113 -9.445 -1.297 -8.342 795 2HB ARG 113 1HB ARG 113 -9.601 -2.815 -9.223 796 1HG ARG 113 2HG ARG 113 -11.990 -2.783 -9.032 797 2HG ARG 113 1HG ARG 113 -11.941 -1.464 -7.863 798 1HD ARG 113 2HD ARG 113 -12.555 -0.564 -10.042 799 2HD ARG 113 1HD ARG 113 -10.936 -0.002 -9.626 800 HE ARG 113 HE ARG 113 -10.107 -1.240 -11.454 801 1HH1 ARG 113 1HH1 ARG 113 -13.442 -1.400 -11.470 802 2HH1 ARG 113 2HH1 ARG 113 -13.552 -2.864 -12.390 803 1HH2 ARG 113 1HH2 ARG 113 -10.151 -3.524 -12.243 804 2HH2 ARG 113 2HH2 ARG 113 -11.690 -4.066 -12.827 805 H SER 114 H SER 114 -9.705 -5.338 -8.089 806 HA SER 114 HA SER 114 -12.405 -6.124 -8.330 807 1HB SER 114 2HB SER 114 -11.542 -8.440 -8.378 808 2HB SER 114 1HB SER 114 -10.545 -7.368 -9.357 809 HG SER 114 HG SER 114 -8.942 -7.642 -8.010 810 H THR 115 H THR 115 -10.295 -6.135 -5.522 811 HA THR 115 HA THR 115 -12.402 -7.513 -3.922 812 HB THR 115 HB THR 115 -10.693 -7.864 -2.250 813 HG1 THR 115 1HG THR 115 -8.500 -7.014 -3.034 814 1HG2 THR 115 1HG2 THR 115 -9.673 -8.335 -5.063 815 2HG2 THR 115 2HG2 THR 115 -10.607 -9.454 -4.069 816 3HG2 THR 115 3HG2 THR 115 -8.948 -9.050 -3.623 817 H ALA 116 H ALA 116 -12.549 -4.694 -4.877 818 HA ALA 116 HA ALA 116 -13.153 -2.594 -4.031 819 1HB ALA 116 1HB ALA 116 -13.781 -4.435 -1.723 820 2HB ALA 116 2HB ALA 116 -14.897 -3.607 -2.807 821 3HB ALA 116 3HB ALA 116 -14.017 -2.693 -1.582 822 H PHE 117 H PHE 117 -10.357 -3.627 -3.762 823 HA PHE 117 HA PHE 117 -8.337 -2.887 -2.852 824 1HB PHE 117 2HB PHE 117 -9.908 -0.557 -1.733 825 2HB PHE 117 1HB PHE 117 -8.206 -0.596 -2.187 826 HD1 PHE 117 1HD PHE 117 -7.544 -0.717 -4.581 827 HD2 PHE 117 2HD PHE 117 -11.639 -0.238 -3.378 828 HE1 PHE 117 1HE PHE 117 -8.133 0.008 -6.878 829 HE2 PHE 117 2HE PHE 117 -12.229 0.483 -5.675 830 HZ PHE 117 HZ PHE 117 -10.476 0.608 -7.424 831 H LEU 118 H LEU 118 -10.257 -4.534 -1.250 832 HA LEU 118 HA LEU 118 -9.576 -3.666 1.516 833 1HB LEU 118 2HB LEU 118 -11.429 -5.835 0.489 834 2HB LEU 118 1HB LEU 118 -11.181 -5.444 2.190 835 HG LEU 118 HG LEU 118 -12.221 -3.523 0.085 836 1HD1 LEU 118 1HD1 LEU 118 -13.745 -5.439 0.821 837 2HD1 LEU 118 2HD1 LEU 118 -14.378 -3.811 1.066 838 3HD1 LEU 118 3HD1 LEU 118 -13.716 -4.714 2.428 839 1HD2 LEU 118 1HD2 LEU 118 -11.468 -3.257 2.980 840 2HD2 LEU 118 2HD2 LEU 118 -12.840 -2.325 2.380 841 3HD2 LEU 118 3HD2 LEU 118 -11.248 -2.112 1.657 842 H ARG 119 H ARG 119 -8.851 -6.104 -0.879 843 HA ARG 119 HA ARG 119 -7.224 -7.609 1.130 844 1HB ARG 119 2HB ARG 119 -8.524 -8.328 -1.476 845 2HB ARG 119 1HB ARG 119 -7.079 -9.211 -0.984 846 1HG ARG 119 2HG ARG 119 -9.159 -10.325 -0.205 847 2HG ARG 119 1HG ARG 119 -8.139 -9.815 1.140 848 1HD ARG 119 2HD ARG 119 -9.534 -7.980 1.658 849 2HD ARG 119 1HD ARG 119 -10.336 -8.035 0.087 850 HE ARG 119 HE ARG 119 -11.060 -9.607 2.418 851 1HH1 ARG 119 1HH2 ARG 119 -10.808 -9.601 -1.019 852 2HH1 ARG 119 2HH2 ARG 119 -12.135 -10.687 -1.252 853 1HH2 ARG 119 1HH1 ARG 119 -12.831 -10.984 2.132 854 2HH2 ARG 119 2HH1 ARG 119 -13.282 -11.470 0.531 855 H TRP 120 H TRP 120 -5.010 -8.135 0.567 856 HA TRP 120 HA TRP 120 -3.784 -6.099 -1.240 857 1HB TRP 120 2HB TRP 120 -2.372 -7.878 0.760 858 2HB TRP 120 1HB TRP 120 -1.752 -6.416 -0.007 859 HD1 TRP 120 HD TRP 120 -4.059 -4.416 0.406 860 HE1 TRP 120 1HE TRP 120 -4.713 -3.603 2.764 861 HE3 TRP 120 3HE TRP 120 -2.117 -8.211 3.211 862 HZ2 TRP 120 2HZ TRP 120 -4.445 -4.455 5.484 863 HZ3 TRP 120 3HZ TRP 120 -2.328 -8.187 5.679 864 HH2 TRP 120 HH TRP 120 -3.490 -6.319 6.817 865 H LYS 121 H LYS 121 -2.505 -6.730 -2.970 866 HA LYS 121 HA LYS 121 -2.259 -9.677 -3.465 867 1HB LYS 121 2HB LYS 121 -3.907 -8.284 -4.939 868 2HB LYS 121 1HB LYS 121 -2.443 -7.636 -5.678 869 1HG LYS 121 2HG LYS 121 -2.810 -9.471 -7.052 870 2HG LYS 121 1HG LYS 121 -1.778 -10.207 -5.827 871 1HD LYS 121 2HD LYS 121 -3.963 -10.780 -4.584 872 2HD LYS 121 1HD LYS 121 -4.782 -10.385 -6.095 873 1HE LYS 121 2HE LYS 121 -2.734 -12.556 -5.603 874 2HE LYS 121 1HE LYS 121 -4.391 -12.735 -6.185 875 1HZ LYS 121 1HZ LYS 121 -2.359 -11.191 -7.680 876 2HZ LYS 121 2HZ LYS 121 -3.842 -11.800 -8.240 877 3HZ LYS 121 3HZ LYS 121 -2.559 -12.860 -7.901 878 H ASP 122 H ASP 122 -0.290 -10.385 -4.292 879 HA ASP 122 HA ASP 122 1.966 -8.667 -3.730 880 1HB ASP 122 2HB ASP 122 1.723 -11.430 -4.933 881 2HB ASP 122 1HB ASP 122 3.278 -10.627 -4.718 882 H TYR 123 H TYR 123 3.549 -7.921 -5.285 883 HA TYR 123 HA TYR 123 2.962 -8.164 -8.147 884 1HB TYR 123 2HB TYR 123 2.144 -5.801 -6.570 885 2HB TYR 123 1HB TYR 123 3.077 -5.416 -8.016 886 HD1 TYR 123 1HD TYR 123 -0.052 -6.838 -6.723 887 HD2 TYR 123 2HD TYR 123 2.260 -6.032 -10.251 888 HE1 TYR 123 1HE TYR 123 -2.054 -7.246 -8.128 889 HE2 TYR 123 2HE TYR 123 0.258 -6.441 -11.658 890 HH TYR 123 HH TYR 123 -1.874 -7.643 -11.510 891 H ASN 124 H ASN 124 4.716 -7.267 -9.455 892 HA ASN 124 HA ASN 124 7.305 -7.623 -8.314 893 1HB ASN 124 2HB ASN 124 6.368 -6.292 -10.865 894 2HB ASN 124 1HB ASN 124 8.078 -6.441 -10.454 895 1HD2 ASN 124 1HD2 ASN 124 6.451 -9.075 -9.116 896 2HD2 ASN 124 2HD2 ASN 124 6.723 -10.203 -10.354 897 H CYS 125 H CYS 125 8.244 -6.303 -6.859 898 HA CYS 125 HA CYS 125 7.394 -3.810 -5.996 899 1HB CYS 125 2HB CYS 125 10.220 -4.879 -6.150 900 2HB CYS 125 1HB CYS 125 9.764 -3.434 -5.246 901 H ASN 126 H ASN 126 8.635 -4.432 -9.100 902 HA ASN 126 HA ASN 126 9.691 -1.666 -9.376 903 1HB ASN 126 2HB ASN 126 9.623 -3.763 -11.552 904 2HB ASN 126 1HB ASN 126 10.704 -2.378 -11.399 905 1HD2 ASN 126 1HD2 ASN 126 12.747 -2.935 -10.649 906 2HD2 ASN 126 2HD2 ASN 126 13.094 -4.254 -9.639 907 H VAL 127 H VAL 127 7.011 -3.691 -10.536 908 HA VAL 127 HA VAL 127 6.054 -1.993 -12.600 909 HB VAL 127 HB VAL 127 4.623 -3.790 -10.626 910 1HG1 VAL 127 1HG1 VAL 127 2.633 -3.479 -12.218 911 2HG1 VAL 127 2HG1 VAL 127 3.461 -2.034 -12.799 912 3HG1 VAL 127 3HG1 VAL 127 2.964 -2.148 -11.112 913 1HG2 VAL 127 1HG2 VAL 127 4.422 -5.272 -12.487 914 2HG2 VAL 127 2HG2 VAL 127 6.080 -4.674 -12.541 915 3HG2 VAL 127 3HG2 VAL 127 4.865 -4.008 -13.634 916 H ARG 128 H ARG 128 5.221 0.113 -12.483 917 HA ARG 128 HA ARG 128 5.062 1.282 -9.796 918 1HB ARG 128 2HB ARG 128 4.397 3.313 -11.456 919 2HB ARG 128 1HB ARG 128 6.065 2.850 -11.144 920 1HG ARG 128 2HG ARG 128 6.139 1.486 -13.134 921 2HG ARG 128 1HG ARG 128 4.410 1.707 -13.405 922 1HD ARG 128 2HD ARG 128 4.693 3.778 -14.322 923 2HD ARG 128 1HD ARG 128 5.959 4.221 -13.177 924 HE ARG 128 HE ARG 128 6.395 3.172 -15.820 925 1HH1 ARG 128 1HH1 ARG 128 7.533 3.263 -12.569 926 2HH1 ARG 128 2HH1 ARG 128 9.139 2.752 -12.975 927 1HH2 ARG 128 1HH2 ARG 128 8.460 2.411 -16.358 928 2HH2 ARG 128 2HH2 ARG 128 9.664 2.272 -15.120 929 H LEU 129 H LEU 129 3.113 2.308 -8.924 930 HA LEU 129 HA LEU 129 0.669 1.784 -10.576 931 1HB LEU 129 2HB LEU 129 1.305 0.586 -7.889 932 2HB LEU 129 1HB LEU 129 -0.365 0.905 -8.323 933 HG LEU 129 HG LEU 129 0.886 -0.410 -10.550 934 1HD1 LEU 129 1HD1 LEU 129 2.546 -1.292 -9.001 935 2HD1 LEU 129 2HD1 LEU 129 1.418 -2.577 -9.422 936 3HD1 LEU 129 3HD1 LEU 129 1.283 -1.763 -7.865 937 1HD2 LEU 129 1HD2 LEU 129 -0.853 -2.109 -10.021 938 2HD2 LEU 129 2HD2 LEU 129 -1.493 -0.465 -10.032 939 3HD2 LEU 129 3HD2 LEU 129 -1.166 -1.274 -8.499 940 HA PRO 130 HA PRO 130 -0.599 5.622 -8.765 941 1HB PRO 130 2HB PRO 130 -3.255 4.730 -8.040 942 2HB PRO 130 1HB PRO 130 -2.795 5.743 -9.412 943 1HG PRO 130 2HG PRO 130 -3.627 2.977 -9.437 944 2HG PRO 130 1HG PRO 130 -3.253 4.021 -10.811 945 1HD PRO 130 2HD PRO 130 -1.699 1.825 -9.853 946 2HD PRO 130 1HD PRO 130 -1.242 2.985 -11.125 947 H TYR 131 H TYR 131 -0.305 6.269 -6.502 948 HA TYR 131 HA TYR 131 -0.891 4.121 -4.498 949 1HB TYR 131 2HB TYR 131 1.304 4.368 -3.511 950 2HB TYR 131 1HB TYR 131 1.490 4.028 -5.230 951 HD1 TYR 131 1HD TYR 131 1.664 6.077 -6.826 952 HD2 TYR 131 2HD TYR 131 2.338 6.271 -2.589 953 HE1 TYR 131 1HE TYR 131 2.927 8.190 -7.124 954 HE2 TYR 131 2HE TYR 131 3.602 8.384 -2.887 955 HH TYR 131 HH TYR 131 4.090 10.043 -4.341 956 H VAL 132 H VAL 132 -0.335 4.964 -2.207 957 HA VAL 132 HA VAL 132 -1.355 7.777 -1.936 958 HB VAL 132 HB VAL 132 -1.843 5.371 -0.147 959 1HG1 VAL 132 1HG1 VAL 132 -1.587 7.374 1.217 960 2HG1 VAL 132 2HG1 VAL 132 -3.301 6.974 1.121 961 3HG1 VAL 132 3HG1 VAL 132 -2.645 8.284 0.139 962 1HG2 VAL 132 1HG2 VAL 132 -3.155 5.710 -2.369 963 2HG2 VAL 132 2HG2 VAL 132 -3.917 7.066 -1.534 964 3HG2 VAL 132 3HG2 VAL 132 -4.079 5.432 -0.893 965 H CYS 133 H CYS 133 -0.452 8.894 0.006 966 HA CYS 133 HA CYS 133 2.038 7.631 1.063 967 1HB CYS 133 2HB CYS 133 2.850 8.954 -0.761 968 2HB CYS 133 1HB CYS 133 1.808 10.309 -0.330 969 H LYS 134 H LYS 134 2.252 7.950 3.241 970 HA LYS 134 HA LYS 134 0.405 9.915 4.528 971 1HB LYS 134 2HB LYS 134 0.436 8.565 6.426 972 2HB LYS 134 1HB LYS 134 0.628 7.360 5.155 973 1HG LYS 134 2HG LYS 134 3.157 7.650 5.463 974 2HG LYS 134 1HG LYS 134 2.774 8.537 6.937 975 1HD LYS 134 2HD LYS 134 1.574 5.813 6.477 976 2HD LYS 134 1HD LYS 134 3.222 5.960 7.085 977 1HE LYS 134 2HE LYS 134 2.479 7.235 8.996 978 2HE LYS 134 1HE LYS 134 0.842 7.344 8.349 979 1HZ LYS 134 1HZ LYS 134 0.420 5.147 8.792 980 2HZ LYS 134 2HZ LYS 134 1.415 5.553 10.109 981 3HZ LYS 134 3HZ LYS 134 2.057 4.703 8.785 982 H PHE 135 H PHE 135 1.284 11.348 6.210 983 HA PHE 135 HA PHE 135 4.104 11.539 6.762 984 1HB PHE 135 2HB PHE 135 4.635 13.552 5.410 985 2HB PHE 135 1HB PHE 135 4.291 12.149 4.399 986 HD1 PHE 135 1HD PHE 135 2.152 11.965 3.171 987 HD2 PHE 135 2HD PHE 135 3.125 15.448 5.492 988 HE1 PHE 135 1HE PHE 135 0.332 13.220 2.051 989 HE2 PHE 135 2HE PHE 135 1.303 16.702 4.371 990 HZ PHE 135 HZ PHE 135 -0.092 15.589 2.649 991 H THR 136 H THR 136 4.089 12.585 8.704 992 HA THR 136 HA THR 136 1.832 14.352 9.386 993 HB THR 136 HB THR 136 4.202 13.969 11.191 994 HG1 THR 136 1HG THR 136 3.348 11.963 11.798 995 1HG2 THR 136 1HG2 THR 136 2.283 15.363 11.882 996 2HG2 THR 136 2HG2 THR 136 2.423 13.926 12.894 997 3HG2 THR 136 3HG2 THR 136 1.200 13.995 11.624 998 H ASP 137 H ASP 137 3.866 15.826 11.209 999 HA ASP 137 HA ASP 137 4.365 18.001 9.282 1000 1HB ASP 137 2HB ASP 137 4.957 17.853 12.254 1001 2HB ASP 137 1HB ASP 137 4.994 19.306 11.255 Start of MODEL 12 1 1H ARG 1 1HT ARG 1 -4.147 19.197 9.793 2 2H ARG 1 2HT ARG 1 -5.401 20.294 10.122 3 3H ARG 1 3HT ARG 1 -3.788 20.727 10.430 4 HA ARG 1 HA ARG 1 -5.248 21.175 8.115 5 1HB ARG 1 2HB ARG 1 -3.352 22.492 9.229 6 2HB ARG 1 1HB ARG 1 -2.248 21.369 8.434 7 1HG ARG 1 2HG ARG 1 -3.107 21.991 6.246 8 2HG ARG 1 1HG ARG 1 -4.341 23.013 6.983 9 1HD ARG 1 2HD ARG 1 -2.527 24.445 6.268 10 2HD ARG 1 1HD ARG 1 -2.495 24.366 8.030 11 HE ARG 1 HE ARG 1 -0.785 22.375 6.739 12 1HH1 ARG 1 1HH1 ARG 1 0.222 24.979 5.717 13 2HH1 ARG 1 2HH1 ARG 1 1.329 25.468 6.956 14 1HH2 ARG 1 1HH2 ARG 1 0.077 23.257 9.316 15 2HH2 ARG 1 2HH2 ARG 1 1.248 24.493 8.993 16 H CYS 2 H CYS 2 -5.329 20.157 6.156 17 HA CYS 2 HA CYS 2 -3.250 18.226 5.420 18 1HB CYS 2 2HB CYS 2 -5.445 17.260 6.724 19 2HB CYS 2 1HB CYS 2 -5.991 17.162 5.053 20 HA PRO 3 HA PRO 3 -4.047 20.228 1.519 21 1HB PRO 3 2HB PRO 3 -3.332 17.887 0.002 22 2HB PRO 3 1HB PRO 3 -2.369 19.337 0.298 23 1HG PRO 3 2HG PRO 3 -2.045 16.708 1.448 24 2HG PRO 3 1HG PRO 3 -1.020 18.132 1.653 25 1HD PRO 3 2HD PRO 3 -2.741 16.963 3.603 26 2HD PRO 3 1HD PRO 3 -1.851 18.498 3.744 27 H LYS 4 H LYS 4 -5.473 20.007 -0.384 28 HA LYS 4 HA LYS 4 -8.016 18.895 0.233 29 1HB LYS 4 2HB LYS 4 -6.861 19.803 -2.416 30 2HB LYS 4 1HB LYS 4 -8.565 19.427 -2.144 31 1HG LYS 4 2HG LYS 4 -8.613 21.163 -0.343 32 2HG LYS 4 1HG LYS 4 -6.952 21.589 -0.755 33 1HD LYS 4 2HD LYS 4 -7.736 22.011 -3.120 34 2HD LYS 4 1HD LYS 4 -9.390 21.809 -2.539 35 1HE LYS 4 2HE LYS 4 -8.869 23.610 -0.810 36 2HE LYS 4 1HE LYS 4 -7.386 23.920 -1.712 37 1HZ LYS 4 1HZ LYS 4 -8.753 25.347 -2.782 38 2HZ LYS 4 2HZ LYS 4 -10.158 24.452 -2.447 39 3HZ LYS 4 3HZ LYS 4 -9.114 23.963 -3.695 40 H GLY 5 H GLY 5 -8.962 16.963 -0.416 41 1HA GLY 5 2HA GLY 5 -9.101 14.808 -1.375 42 2HA GLY 5 1HA GLY 5 -7.673 15.200 -2.346 43 H SER 6 H SER 6 -6.662 16.157 0.493 44 HA SER 6 HA SER 6 -5.309 13.572 1.057 45 1HB SER 6 2HB SER 6 -3.655 14.816 2.108 46 2HB SER 6 1HB SER 6 -4.264 16.023 0.980 47 HG SER 6 HG SER 6 -5.746 16.600 2.756 48 H LYS 7 H LYS 7 -5.532 12.458 3.039 49 HA LYS 7 HA LYS 7 -7.582 13.550 4.939 50 1HB LYS 7 2HB LYS 7 -7.318 10.615 4.251 51 2HB LYS 7 1HB LYS 7 -8.617 11.403 5.144 52 1HG LYS 7 2HG LYS 7 -8.028 12.173 2.284 53 2HG LYS 7 1HG LYS 7 -9.036 10.778 2.654 54 1HD LYS 7 2HD LYS 7 -10.676 12.092 3.732 55 2HD LYS 7 1HD LYS 7 -9.586 13.466 3.909 56 1HE LYS 7 2HE LYS 7 -11.178 13.912 2.107 57 2HE LYS 7 1HE LYS 7 -9.556 13.727 1.435 58 1HZ LYS 7 1HZ LYS 7 -11.408 11.436 1.640 59 2HZ LYS 7 2HZ LYS 7 -10.038 11.609 0.649 60 3HZ LYS 7 3HZ LYS 7 -11.454 12.485 0.310 61 H ALA 8 H ALA 8 -6.954 13.439 7.070 62 HA ALA 8 HA ALA 8 -4.277 12.336 7.624 63 1HB ALA 8 1HB ALA 8 -4.592 13.362 9.864 64 2HB ALA 8 2HB ALA 8 -6.225 13.834 9.394 65 3HB ALA 8 3HB ALA 8 -4.836 14.525 8.559 66 H TYR 9 H TYR 9 -3.900 10.836 9.372 67 HA TYR 9 HA TYR 9 -6.059 9.452 10.696 68 1HB TYR 9 2HB TYR 9 -6.154 8.613 8.255 69 2HB TYR 9 1HB TYR 9 -4.630 7.797 8.608 70 HD1 TYR 9 1HD TYR 9 -8.215 8.032 9.519 71 HD2 TYR 9 2HD TYR 9 -4.542 5.869 10.049 72 HE1 TYR 9 1HE TYR 9 -9.456 6.197 10.633 73 HE2 TYR 9 2HE TYR 9 -5.784 4.033 11.163 74 HH TYR 9 HH TYR 9 -8.224 3.166 11.101 75 H GLY 10 H GLY 10 -5.210 8.161 12.370 76 1HA GLY 10 2HA GLY 10 -3.564 7.300 13.808 77 2HA GLY 10 1HA GLY 10 -2.524 7.142 12.391 78 H SER 11 H SER 11 -1.654 9.355 11.566 79 HA SER 11 HA SER 11 -1.494 11.627 13.248 80 1HB SER 11 2HB SER 11 0.444 9.431 13.865 81 2HB SER 11 1HB SER 11 1.018 11.094 13.947 82 HG SER 11 HG SER 11 -0.089 9.979 15.865 83 H HIS 12 H HIS 12 -1.447 10.750 10.387 84 HA HIS 12 HA HIS 12 0.734 12.544 9.531 85 1HB HIS 12 2HB HIS 12 0.381 9.799 8.296 86 2HB HIS 12 1HB HIS 12 1.640 10.977 7.939 87 HD1 HIS 12 1HD HIS 12 3.736 10.833 9.298 88 HD2 HIS 12 2HD HIS 12 0.591 8.751 11.071 89 HE1 HIS 12 1HE HIS 12 4.715 9.620 11.296 90 H CYS 13 H CYS 13 0.305 13.453 7.433 91 HA CYS 13 HA CYS 13 -2.550 13.387 6.708 92 1HB CYS 13 2HB CYS 13 -0.271 15.189 6.277 93 2HB CYS 13 1HB CYS 13 -1.265 14.988 4.836 94 H TYR 14 H TYR 14 -3.327 12.087 5.104 95 HA TYR 14 HA TYR 14 -1.341 10.675 3.407 96 1HB TYR 14 2HB TYR 14 -4.264 10.106 3.954 97 2HB TYR 14 1HB TYR 14 -3.246 9.149 2.881 98 HD1 TYR 14 1HD TYR 14 -3.263 10.517 6.380 99 HD2 TYR 14 2HD TYR 14 -2.095 7.315 3.766 100 HE1 TYR 14 1HE TYR 14 -2.411 9.244 8.324 101 HE2 TYR 14 2HE TYR 14 -1.243 6.040 5.717 102 HH TYR 14 HH TYR 14 -0.782 6.111 7.898 103 H ALA 15 H ALA 15 -1.398 10.813 1.166 104 HA ALA 15 HA ALA 15 -3.529 12.492 -0.066 105 1HB ALA 15 1HB ALA 15 -1.442 13.864 0.473 106 2HB ALA 15 2HB ALA 15 -1.951 13.877 -1.216 107 3HB ALA 15 3HB ALA 15 -0.595 12.868 -0.710 108 H LEU 16 H LEU 16 -4.291 11.511 -1.858 109 HA LEU 16 HA LEU 16 -2.917 9.121 -2.891 110 1HB LEU 16 2HB LEU 16 -5.284 8.901 -2.668 111 2HB LEU 16 1HB LEU 16 -5.578 10.449 -3.457 112 HG LEU 16 HG LEU 16 -4.713 9.529 -5.580 113 1HD1 LEU 16 1HD1 LEU 16 -4.222 7.132 -3.830 114 2HD1 LEU 16 2HD1 LEU 16 -3.150 7.875 -5.013 115 3HD1 LEU 16 3HD1 LEU 16 -4.526 6.915 -5.552 116 1HD2 LEU 16 1HD2 LEU 16 -6.928 8.048 -4.162 117 2HD2 LEU 16 2HD2 LEU 16 -6.544 7.739 -5.855 118 3HD2 LEU 16 3HD2 LEU 16 -7.067 9.345 -5.349 119 H PHE 17 H PHE 17 -1.812 9.036 -4.827 120 HA PHE 17 HA PHE 17 -1.818 11.486 -6.535 121 1HB PHE 17 2HB PHE 17 0.475 9.662 -5.750 122 2HB PHE 17 1HB PHE 17 0.571 10.808 -7.087 123 HD1 PHE 17 1HD PHE 17 0.108 13.278 -6.609 124 HD2 PHE 17 2HD PHE 17 0.802 10.379 -3.517 125 HE1 PHE 17 1HE PHE 17 0.631 15.104 -5.016 126 HE2 PHE 17 2HE PHE 17 1.324 12.205 -1.923 127 HZ PHE 17 HZ PHE 17 1.238 14.569 -2.672 128 H LEU 18 H LEU 18 -2.787 10.948 -8.419 129 HA LEU 18 HA LEU 18 -3.154 8.202 -9.250 130 1HB LEU 18 2HB LEU 18 -3.453 10.643 -11.017 131 2HB LEU 18 1HB LEU 18 -4.297 9.101 -11.148 132 HG LEU 18 HG LEU 18 -4.670 11.256 -9.062 133 1HD1 LEU 18 1HD1 LEU 18 -6.556 9.792 -10.934 134 2HD1 LEU 18 2HD1 LEU 18 -5.983 11.448 -11.133 135 3HD1 LEU 18 3HD1 LEU 18 -7.033 11.034 -9.778 136 1HD2 LEU 18 1HD2 LEU 18 -5.462 8.338 -8.999 137 2HD2 LEU 18 2HD2 LEU 18 -6.323 9.558 -8.063 138 3HD2 LEU 18 3HD2 LEU 18 -4.614 9.258 -7.762 139 H SER 19 H SER 19 -0.441 9.757 -8.969 140 HA SER 19 HA SER 19 0.639 9.283 -11.679 141 1HB SER 19 2HB SER 19 2.697 9.864 -9.759 142 2HB SER 19 1HB SER 19 2.146 10.839 -11.117 143 HG SER 19 HG SER 19 1.821 11.372 -8.602 144 HA PRO 20 HA PRO 20 1.643 5.073 -10.447 145 1HB PRO 20 2HB PRO 20 3.368 4.831 -12.725 146 2HB PRO 20 1HB PRO 20 1.737 4.187 -12.521 147 1HG PRO 20 2HG PRO 20 2.585 6.378 -14.182 148 2HG PRO 20 1HG PRO 20 0.963 5.707 -14.008 149 1HD PRO 20 2HD PRO 20 1.942 8.224 -13.040 150 2HD PRO 20 1HD PRO 20 0.314 7.529 -12.830 151 H LYS 21 H LYS 21 3.493 4.035 -9.501 152 HA LYS 21 HA LYS 21 6.164 5.172 -9.824 153 1HB LYS 21 2HB LYS 21 4.511 5.754 -7.378 154 2HB LYS 21 1HB LYS 21 6.252 5.541 -7.207 155 1HG LYS 21 2HG LYS 21 6.382 7.259 -9.198 156 2HG LYS 21 1HG LYS 21 4.742 7.675 -8.699 157 1HD LYS 21 2HD LYS 21 5.623 7.973 -6.351 158 2HD LYS 21 1HD LYS 21 7.250 7.784 -7.006 159 1HE LYS 21 2HE LYS 21 6.644 9.668 -8.640 160 2HE LYS 21 1HE LYS 21 5.243 9.962 -7.610 161 1HZ LYS 21 1HZ LYS 21 6.799 10.164 -5.718 162 2HZ LYS 21 2HZ LYS 21 7.020 11.363 -6.901 163 3HZ LYS 21 3HZ LYS 21 8.097 10.053 -6.804 164 H SER 22 H SER 22 7.548 3.448 -9.606 165 HA SER 22 HA SER 22 6.756 0.831 -8.994 166 1HB SER 22 2HB SER 22 8.909 1.113 -9.969 167 2HB SER 22 1HB SER 22 9.425 2.207 -8.689 168 HG SER 22 HG SER 22 9.356 0.466 -7.250 169 H TRP 23 H TRP 23 6.881 -0.441 -7.039 170 HA TRP 23 HA TRP 23 5.996 0.876 -4.676 171 1HB TRP 23 2HB TRP 23 5.640 -1.529 -4.978 172 2HB TRP 23 1HB TRP 23 7.381 -1.811 -4.977 173 HD1 TRP 23 HD TRP 23 4.442 -1.373 -2.704 174 HE1 TRP 23 1HE TRP 23 5.209 -1.491 -0.246 175 HE3 TRP 23 3HE TRP 23 9.504 -1.179 -3.347 176 HZ2 TRP 23 2HZ TRP 23 7.647 -1.501 1.251 177 HZ3 TRP 23 3HZ TRP 23 11.024 -1.244 -1.392 178 HH2 TRP 23 HH TRP 23 10.103 -1.405 0.904 179 H THR 24 H THR 24 9.102 0.432 -6.051 180 HA THR 24 HA THR 24 10.523 1.065 -3.533 181 HB THR 24 HB THR 24 11.338 -0.620 -5.293 182 HG1 THR 24 1HG THR 24 12.603 0.511 -3.609 183 1HG2 THR 24 1HG2 THR 24 12.058 0.078 -7.351 184 2HG2 THR 24 2HG2 THR 24 12.612 1.636 -6.740 185 3HG2 THR 24 3HG2 THR 24 10.901 1.379 -7.074 186 H ASP 25 H ASP 25 9.236 2.593 -6.291 187 HA ASP 25 HA ASP 25 10.962 4.972 -6.123 188 1HB ASP 25 2HB ASP 25 10.232 4.308 -8.334 189 2HB ASP 25 1HB ASP 25 8.544 4.313 -7.823 190 H ALA 26 H ALA 26 7.575 4.070 -5.414 191 HA ALA 26 HA ALA 26 6.959 6.746 -4.436 192 1HB ALA 26 1HB ALA 26 5.061 5.563 -5.176 193 2HB ALA 26 2HB ALA 26 4.960 5.425 -3.424 194 3HB ALA 26 3HB ALA 26 5.568 4.074 -4.382 195 H ASP 27 H ASP 27 8.167 3.712 -3.207 196 HA ASP 27 HA ASP 27 7.843 4.195 -0.419 197 1HB ASP 27 2HB ASP 27 8.468 2.007 -1.196 198 2HB ASP 27 1HB ASP 27 9.905 2.644 -1.995 199 H LEU 28 H LEU 28 10.474 5.025 -2.671 200 HA LEU 28 HA LEU 28 12.087 6.304 -0.626 201 1HB LEU 28 2HB LEU 28 12.162 6.145 -3.625 202 2HB LEU 28 1HB LEU 28 13.167 7.339 -2.804 203 HG LEU 28 HG LEU 28 13.186 4.474 -1.870 204 1HD1 LEU 28 1HD1 LEU 28 15.217 4.215 -3.403 205 2HD1 LEU 28 2HD1 LEU 28 14.630 5.642 -4.257 206 3HD1 LEU 28 3HD1 LEU 28 13.643 4.181 -4.195 207 1HD2 LEU 28 1HD2 LEU 28 14.333 6.108 -0.475 208 2HD2 LEU 28 2HD2 LEU 28 15.187 6.757 -1.873 209 3HD2 LEU 28 3HD2 LEU 28 15.546 5.130 -1.299 210 H ALA 29 H ALA 29 9.959 7.548 -3.218 211 HA ALA 29 HA ALA 29 10.354 10.312 -2.604 212 1HB ALA 29 1HB ALA 29 8.415 10.730 -3.960 213 2HB ALA 29 2HB ALA 29 7.822 9.086 -3.719 214 3HB ALA 29 3HB ALA 29 9.268 9.368 -4.688 215 H CYS 30 H CYS 30 7.662 8.125 -1.624 216 HA CYS 30 HA CYS 30 6.429 10.061 0.073 217 1HB CYS 30 2HB CYS 30 5.356 7.930 -0.703 218 2HB CYS 30 1HB CYS 30 6.401 7.049 0.406 219 H GLN 31 H GLN 31 9.288 8.172 0.393 220 HA GLN 31 HA GLN 31 9.397 8.373 3.317 221 1HB GLN 31 2HB GLN 31 10.520 6.477 2.283 222 2HB GLN 31 1HB GLN 31 11.471 7.549 1.261 223 1HG GLN 31 2HG GLN 31 11.592 7.856 4.250 224 2HG GLN 31 1HG GLN 31 12.534 6.590 3.464 225 1HE2 GLN 31 1HE2 GLN 31 12.790 9.743 4.502 226 2HE2 GLN 31 2HE2 GLN 31 13.991 10.291 3.436 227 H LYS 32 H LYS 32 10.542 10.097 0.500 228 HA LYS 32 HA LYS 32 12.429 11.790 1.795 229 1HB LYS 32 2HB LYS 32 12.457 11.691 -0.600 230 2HB LYS 32 1HB LYS 32 10.751 12.121 -0.699 231 1HG LYS 32 2HG LYS 32 11.148 14.361 -0.095 232 2HG LYS 32 1HG LYS 32 12.735 13.992 0.580 233 1HD LYS 32 2HD LYS 32 13.052 15.098 -1.557 234 2HD LYS 32 1HD LYS 32 13.514 13.406 -1.735 235 1HE LYS 32 2HE LYS 32 11.438 12.863 -2.813 236 2HE LYS 32 1HE LYS 32 10.752 14.440 -2.415 237 1HZ LYS 32 1HZ LYS 32 11.708 15.354 -4.181 238 2HZ LYS 32 2HZ LYS 32 12.065 13.783 -4.718 239 3HZ LYS 32 3HZ LYS 32 13.218 14.665 -3.834 240 H ARG 33 H ARG 33 9.171 11.465 2.300 241 HA ARG 33 HA ARG 33 8.620 14.313 2.847 242 1HB ARG 33 2HB ARG 33 7.035 11.810 2.627 243 2HB ARG 33 1HB ARG 33 6.416 13.022 3.738 244 1HG ARG 33 2HG ARG 33 5.446 13.389 1.531 245 2HG ARG 33 1HG ARG 33 6.552 14.713 1.897 246 1HD ARG 33 2HD ARG 33 8.327 13.578 0.595 247 2HD ARG 33 1HD ARG 33 7.197 12.283 0.202 248 HE ARG 33 HE ARG 33 6.209 14.925 -0.545 249 1HH1 ARG 33 1HH2 ARG 33 6.469 11.889 -1.699 250 2HH1 ARG 33 2HH2 ARG 33 7.065 12.297 -3.273 251 1HH2 ARG 33 1HH1 ARG 33 7.701 15.609 -2.465 252 2HH2 ARG 33 2HH1 ARG 33 7.762 14.403 -3.707 253 HA PRO 34 HA PRO 34 9.520 14.465 7.140 254 1HB PRO 34 2HB PRO 34 6.807 14.887 8.046 255 2HB PRO 34 1HB PRO 34 8.107 16.071 7.891 256 1HG PRO 34 2HG PRO 34 5.813 15.625 6.137 257 2HG PRO 34 1HG PRO 34 6.940 16.987 6.171 258 1HD PRO 34 2HD PRO 34 6.825 15.071 4.153 259 2HD PRO 34 1HD PRO 34 8.238 16.098 4.488 260 H SER 35 H SER 35 9.954 12.128 7.064 261 HA SER 35 HA SER 35 9.726 9.979 7.941 262 1HB SER 35 2HB SER 35 8.940 11.468 9.961 263 2HB SER 35 1HB SER 35 7.336 10.880 9.533 264 HG SER 35 HG SER 35 8.325 8.731 9.610 265 H GLY 36 H GLY 36 7.944 11.216 5.709 266 1HA GLY 36 2HA GLY 36 5.486 9.707 5.778 267 2HA GLY 36 1HA GLY 36 6.180 10.466 4.344 268 H ASN 37 H ASN 37 5.155 8.233 3.649 269 HA ASN 37 HA ASN 37 7.032 6.578 2.494 270 1HB ASN 37 2HB ASN 37 6.742 5.986 5.388 271 2HB ASN 37 1HB ASN 37 6.593 4.582 4.337 272 1HD2 ASN 37 1HD2 ASN 37 8.874 6.436 5.975 273 2HD2 ASN 37 2HD2 ASN 37 10.244 6.022 5.064 274 H LEU 38 H LEU 38 5.932 5.006 1.233 275 HA LEU 38 HA LEU 38 3.412 5.091 0.440 276 1HB LEU 38 2HB LEU 38 4.859 2.580 1.274 277 2HB LEU 38 1HB LEU 38 3.308 2.533 0.440 278 HG LEU 38 HG LEU 38 5.623 4.134 -0.644 279 1HD1 LEU 38 1HD1 LEU 38 6.315 1.739 -0.329 280 2HD1 LEU 38 2HD1 LEU 38 6.262 2.240 -2.020 281 3HD1 LEU 38 3HD1 LEU 38 4.957 1.261 -1.349 282 1HD2 LEU 38 1HD2 LEU 38 3.690 4.719 -1.797 283 2HD2 LEU 38 2HD2 LEU 38 2.982 3.113 -1.640 284 3HD2 LEU 38 3HD2 LEU 38 4.289 3.387 -2.784 285 H VAL 39 H VAL 39 1.354 4.923 1.176 286 HA VAL 39 HA VAL 39 0.484 5.362 3.692 287 HB VAL 39 HB VAL 39 -1.144 5.261 1.995 288 1HG1 VAL 39 1HG1 VAL 39 -0.291 2.376 1.625 289 2HG1 VAL 39 2HG1 VAL 39 -0.047 3.704 0.490 290 3HG1 VAL 39 3HG1 VAL 39 -1.675 3.110 0.816 291 1HG2 VAL 39 1HG2 VAL 39 -1.785 4.319 4.321 292 2HG2 VAL 39 2HG2 VAL 39 -1.774 2.741 3.535 293 3HG2 VAL 39 3HG2 VAL 39 -2.882 3.995 2.982 294 H SER 40 H SER 40 -0.256 4.160 5.482 295 HA SER 40 HA SER 40 1.130 1.534 5.861 296 1HB SER 40 2HB SER 40 0.091 2.692 8.303 297 2HB SER 40 1HB SER 40 1.762 2.344 7.873 298 HG SER 40 HG SER 40 1.352 4.376 6.480 299 H VAL 41 H VAL 41 -0.173 0.144 7.614 300 HA VAL 41 HA VAL 41 -3.066 0.460 7.575 301 HB VAL 41 HB VAL 41 -2.711 -2.137 6.390 302 1HG1 VAL 41 1HG1 VAL 41 -4.741 -0.681 6.360 303 2HG1 VAL 41 2HG1 VAL 41 -4.294 -1.290 4.766 304 3HG1 VAL 41 3HG1 VAL 41 -3.920 0.376 5.211 305 1HG2 VAL 41 1HG2 VAL 41 -1.745 0.023 4.517 306 2HG2 VAL 41 2HG2 VAL 41 -1.661 -1.725 4.326 307 3HG2 VAL 41 3HG2 VAL 41 -0.599 -0.918 5.474 308 H LEU 42 H LEU 42 -2.806 0.188 9.874 309 HA LEU 42 HA LEU 42 -1.982 -2.563 10.720 310 1HB LEU 42 2HB LEU 42 -1.855 0.076 12.175 311 2HB LEU 42 1HB LEU 42 -1.740 -1.468 13.020 312 HG LEU 42 HG LEU 42 0.058 -0.567 10.769 313 1HD1 LEU 42 1HD1 LEU 42 0.113 -0.120 13.651 314 2HD1 LEU 42 2HD1 LEU 42 1.132 0.580 12.396 315 3HD1 LEU 42 3HD1 LEU 42 1.553 -0.979 13.107 316 1HD2 LEU 42 1HD2 LEU 42 0.313 -2.829 10.578 317 2HD2 LEU 42 2HD2 LEU 42 -0.364 -3.146 12.170 318 3HD2 LEU 42 3HD2 LEU 42 1.321 -2.654 12.012 319 H SER 43 H SER 43 -4.757 -1.178 9.959 320 HA SER 43 HA SER 43 -6.195 -2.649 12.089 321 1HB SER 43 2HB SER 43 -5.967 -0.341 12.965 322 2HB SER 43 1HB SER 43 -6.741 0.277 11.509 323 HG SER 43 HG SER 43 -7.813 -1.015 13.702 324 H GLY 44 H GLY 44 -8.278 -3.309 11.455 325 1HA GLY 44 2HA GLY 44 -8.728 -3.608 8.640 326 2HA GLY 44 1HA GLY 44 -9.915 -3.958 9.900 327 H ALA 45 H ALA 45 -9.288 -1.016 10.778 328 HA ALA 45 HA ALA 45 -11.500 0.147 9.221 329 1HB ALA 45 1HB ALA 45 -11.208 0.449 11.735 330 2HB ALA 45 2HB ALA 45 -11.445 1.940 10.823 331 3HB ALA 45 3HB ALA 45 -9.829 1.485 11.365 332 H GLU 46 H GLU 46 -8.023 0.648 9.709 333 HA GLU 46 HA GLU 46 -7.849 2.974 8.008 334 1HB GLU 46 2HB GLU 46 -6.129 2.206 9.739 335 2HB GLU 46 1HB GLU 46 -5.626 0.995 8.559 336 1HG GLU 46 2HG GLU 46 -5.178 2.783 6.915 337 2HG GLU 46 1HG GLU 46 -5.666 3.993 8.102 338 H GLY 47 H GLY 47 -7.260 -0.506 7.494 339 1HA GLY 47 2HA GLY 47 -6.441 -0.356 4.784 340 2HA GLY 47 1HA GLY 47 -7.260 -1.749 5.497 341 H SER 48 H SER 48 -9.626 -0.169 6.257 342 HA SER 48 HA SER 48 -11.015 -0.296 3.671 343 1HB SER 48 2HB SER 48 -12.202 -1.164 5.594 344 2HB SER 48 1HB SER 48 -11.947 0.332 6.489 345 HG SER 48 HG SER 48 -13.558 -0.129 4.205 346 H PHE 49 H PHE 49 -9.813 2.119 5.914 347 HA PHE 49 HA PHE 49 -11.215 4.365 4.764 348 1HB PHE 49 2HB PHE 49 -9.996 4.233 7.041 349 2HB PHE 49 1HB PHE 49 -8.517 4.517 6.122 350 HD1 PHE 49 1HD PHE 49 -8.480 6.560 4.531 351 HD2 PHE 49 2HD PHE 49 -11.365 6.041 7.671 352 HE1 PHE 49 1HE PHE 49 -8.979 8.988 4.474 353 HE2 PHE 49 2HE PHE 49 -11.864 8.471 7.614 354 HZ PHE 49 HZ PHE 49 -10.671 9.943 6.014 355 H VAL 50 H VAL 50 -7.901 3.088 4.331 356 HA VAL 50 HA VAL 50 -7.120 4.948 2.316 357 HB VAL 50 HB VAL 50 -6.238 2.053 2.562 358 1HG1 VAL 50 1HG1 VAL 50 -5.594 3.303 0.480 359 2HG1 VAL 50 2HG1 VAL 50 -4.213 2.822 1.465 360 3HG1 VAL 50 3HG1 VAL 50 -4.782 4.490 1.498 361 1HG2 VAL 50 1HG2 VAL 50 -4.554 2.809 4.105 362 2HG2 VAL 50 2HG2 VAL 50 -6.091 3.439 4.696 363 3HG2 VAL 50 3HG2 VAL 50 -4.978 4.500 3.834 364 H SER 51 H SER 51 -8.962 1.947 2.207 365 HA SER 51 HA SER 51 -8.943 1.551 -0.616 366 1HB SER 51 2HB SER 51 -9.820 -0.252 0.600 367 2HB SER 51 1HB SER 51 -10.828 0.787 1.602 368 HG SER 51 HG SER 51 -12.344 0.531 0.184 369 H SER 52 H SER 52 -11.349 3.231 1.443 370 HA SER 52 HA SER 52 -12.953 4.166 -0.733 371 1HB SER 52 2HB SER 52 -13.763 4.176 1.586 372 2HB SER 52 1HB SER 52 -12.541 5.366 2.023 373 HG SER 52 HG SER 52 -14.959 5.743 0.938 374 H LEU 53 H LEU 53 -9.916 5.268 0.550 375 HA LEU 53 HA LEU 53 -10.079 7.958 -0.545 376 1HB LEU 53 2HB LEU 53 -8.563 7.750 1.247 377 2HB LEU 53 1HB LEU 53 -7.903 6.240 0.632 378 HG LEU 53 HG LEU 53 -6.905 7.514 -1.288 379 1HD1 LEU 53 1HD1 LEU 53 -7.882 9.886 0.343 380 2HD1 LEU 53 2HD1 LEU 53 -8.426 9.445 -1.275 381 3HD1 LEU 53 3HD1 LEU 53 -6.771 9.995 -1.022 382 1HD2 LEU 53 1HD2 LEU 53 -6.138 8.473 1.490 383 2HD2 LEU 53 2HD2 LEU 53 -5.110 8.548 0.059 384 3HD2 LEU 53 3HD2 LEU 53 -5.579 6.985 0.725 385 H VAL 54 H VAL 54 -9.173 4.814 -1.730 386 HA VAL 54 HA VAL 54 -8.272 6.070 -4.296 387 HB VAL 54 HB VAL 54 -6.804 4.159 -4.608 388 1HG1 VAL 54 1HG1 VAL 54 -6.174 6.140 -3.083 389 2HG1 VAL 54 2HG1 VAL 54 -5.207 4.675 -2.921 390 3HG1 VAL 54 3HG1 VAL 54 -6.462 5.039 -1.736 391 1HG2 VAL 54 1HG2 VAL 54 -6.597 2.553 -2.595 392 2HG2 VAL 54 2HG2 VAL 54 -8.001 2.341 -3.642 393 3HG2 VAL 54 3HG2 VAL 54 -8.169 3.174 -2.096 394 H LYS 55 H LYS 55 -10.973 4.951 -3.194 395 HA LYS 55 HA LYS 55 -11.496 2.739 -5.065 396 1HB LYS 55 2HB LYS 55 -12.519 2.918 -2.747 397 2HB LYS 55 1HB LYS 55 -13.491 4.253 -3.362 398 1HG LYS 55 2HG LYS 55 -14.295 2.694 -5.191 399 2HG LYS 55 1HG LYS 55 -13.498 1.381 -4.327 400 1HD LYS 55 2HD LYS 55 -15.425 3.173 -2.862 401 2HD LYS 55 1HD LYS 55 -16.040 1.865 -3.871 402 1HE LYS 55 2HE LYS 55 -13.969 1.475 -1.693 403 2HE LYS 55 1HE LYS 55 -15.698 1.216 -1.463 404 1HZ LYS 55 1HZ LYS 55 -15.658 -0.421 -3.233 405 2HZ LYS 55 2HZ LYS 55 -14.553 -0.841 -2.012 406 3HZ LYS 55 3HZ LYS 55 -13.997 -0.167 -3.468 407 H SER 56 H SER 56 -11.817 6.193 -4.995 408 HA SER 56 HA SER 56 -13.656 6.136 -7.344 409 1HB SER 56 2HB SER 56 -12.780 8.388 -5.516 410 2HB SER 56 1HB SER 56 -13.802 8.613 -6.932 411 HG SER 56 HG SER 56 -15.167 8.321 -5.232 412 H ILE 57 H ILE 57 -10.594 5.622 -7.189 413 HA ILE 57 HA ILE 57 -9.222 7.739 -8.458 414 HB ILE 57 HB ILE 57 -8.001 5.877 -7.558 415 1HG1 ILE 57 2HG1 ILE 57 -7.819 5.645 -10.570 416 2HG1 ILE 57 1HG1 ILE 57 -7.129 6.981 -9.653 417 1HG2 ILE 57 1HG2 ILE 57 -9.973 4.258 -8.119 418 2HG2 ILE 57 2HG2 ILE 57 -8.330 3.626 -8.144 419 3HG2 ILE 57 3HG2 ILE 57 -9.137 4.034 -9.656 420 1HD1 ILE 57 1HD1 ILE 57 -5.491 5.137 -10.112 421 2HD1 ILE 57 2HD1 ILE 57 -6.495 4.068 -9.129 422 3HD1 ILE 57 3HD1 ILE 57 -5.718 5.471 -8.395 423 H GLY 58 H GLY 58 -10.672 4.844 -10.020 424 1HA GLY 58 2HA GLY 58 -12.178 5.738 -12.017 425 2HA GLY 58 1HA GLY 58 -10.616 6.302 -12.610 426 H ASN 59 H ASN 59 -12.357 4.292 -13.838 427 HA ASN 59 HA ASN 59 -11.514 1.644 -13.374 428 1HB ASN 59 2HB ASN 59 -12.340 2.923 -15.994 429 2HB ASN 59 1HB ASN 59 -12.285 1.188 -15.677 430 1HD2 ASN 59 1HD2 ASN 59 -14.747 1.668 -16.311 431 2HD2 ASN 59 2HD2 ASN 59 -15.779 1.966 -14.997 432 H SER 60 H SER 60 -9.935 4.263 -15.088 433 HA SER 60 HA SER 60 -8.071 2.710 -16.601 434 1HB SER 60 2HB SER 60 -6.840 4.743 -16.872 435 2HB SER 60 1HB SER 60 -8.535 5.212 -16.802 436 HG SER 60 HG SER 60 -6.958 6.394 -15.427 437 H TYR 61 H TYR 61 -8.499 2.442 -13.433 438 HA TYR 61 HA TYR 61 -5.779 1.470 -12.962 439 1HB TYR 61 2HB TYR 61 -6.916 3.777 -11.371 440 2HB TYR 61 1HB TYR 61 -5.484 2.861 -10.907 441 HD1 TYR 61 1HD TYR 61 -6.554 5.766 -12.535 442 HD2 TYR 61 2HD TYR 61 -3.733 2.552 -12.956 443 HE1 TYR 61 1HE TYR 61 -5.166 7.178 -14.026 444 HE2 TYR 61 2HE TYR 61 -2.347 3.965 -14.448 445 HH TYR 61 HH TYR 61 -3.045 7.368 -14.926 446 H SER 62 H SER 62 -6.077 -0.405 -11.876 447 HA SER 62 HA SER 62 -8.538 -0.683 -10.192 448 1HB SER 62 2HB SER 62 -8.855 -2.349 -11.747 449 2HB SER 62 1HB SER 62 -7.135 -2.496 -12.090 450 HG SER 62 HG SER 62 -7.865 -3.172 -9.525 451 H TYR 63 H TYR 63 -5.043 -1.198 -10.327 452 HA TYR 63 HA TYR 63 -5.174 -2.125 -7.485 453 1HB TYR 63 2HB TYR 63 -3.122 -2.525 -9.655 454 2HB TYR 63 1HB TYR 63 -2.754 -2.830 -7.957 455 HD1 TYR 63 1HD TYR 63 -5.475 -3.568 -10.443 456 HD2 TYR 63 2HD TYR 63 -3.087 -5.000 -7.173 457 HE1 TYR 63 1HE TYR 63 -6.576 -5.782 -10.605 458 HE2 TYR 63 2HE TYR 63 -4.184 -7.215 -7.342 459 HH TYR 63 HH TYR 63 -5.671 -8.451 -8.418 460 H VAL 64 H VAL 64 -3.439 -1.326 -6.044 461 HA VAL 64 HA VAL 64 -2.250 1.293 -6.828 462 HB VAL 64 HB VAL 64 -4.083 0.831 -4.451 463 1HG1 VAL 64 1HG1 VAL 64 -1.985 2.368 -4.155 464 2HG1 VAL 64 2HG1 VAL 64 -3.561 2.952 -3.634 465 3HG1 VAL 64 3HG1 VAL 64 -2.892 3.490 -5.170 466 1HG2 VAL 64 1HG2 VAL 64 -4.296 2.433 -7.000 467 2HG2 VAL 64 2HG2 VAL 64 -5.319 2.755 -5.601 468 3HG2 VAL 64 3HG2 VAL 64 -5.392 1.187 -6.403 469 H TRP 65 H TRP 65 -0.243 1.621 -5.816 470 HA TRP 65 HA TRP 65 0.920 -0.669 -4.449 471 1HB TRP 65 2HB TRP 65 1.867 1.943 -5.471 472 2HB TRP 65 1HB TRP 65 2.762 1.320 -4.097 473 HD1 TRP 65 HD TRP 65 3.497 1.573 -7.349 474 HE1 TRP 65 1HE TRP 65 4.645 -0.468 -8.411 475 HE3 TRP 65 3HE TRP 65 2.230 -2.038 -3.950 476 HZ2 TRP 65 2HZ TRP 65 4.947 -3.252 -7.919 477 HZ3 TRP 65 3HZ TRP 65 2.961 -4.374 -4.291 478 HH2 TRP 65 HH TRP 65 4.320 -4.988 -6.265 479 H ILE 66 H ILE 66 1.697 -0.732 -2.258 480 HA ILE 66 HA ILE 66 0.905 1.552 -0.516 481 HB ILE 66 HB ILE 66 0.070 -0.081 1.206 482 1HG1 ILE 66 2HG1 ILE 66 0.232 -1.998 -1.132 483 2HG1 ILE 66 1HG1 ILE 66 1.124 -2.119 0.384 484 1HG2 ILE 66 1HG2 ILE 66 -2.121 -0.207 0.287 485 2HG2 ILE 66 2HG2 ILE 66 -1.503 -0.316 -1.360 486 3HG2 ILE 66 3HG2 ILE 66 -1.387 1.204 -0.476 487 1HD1 ILE 66 1HD1 ILE 66 -1.159 -2.155 1.550 488 2HD1 ILE 66 2HD1 ILE 66 -0.739 -3.596 0.626 489 3HD1 ILE 66 3HD1 ILE 66 -1.858 -2.412 -0.049 490 H GLY 67 H GLY 67 1.895 0.993 1.811 491 1HA GLY 67 2HA GLY 67 4.724 0.432 1.310 492 2HA GLY 67 1HA GLY 67 4.039 1.058 2.810 493 H LEU 68 H LEU 68 3.691 -1.910 0.851 494 HA LEU 68 HA LEU 68 4.237 -3.461 3.345 495 1HB LEU 68 2HB LEU 68 1.751 -3.374 2.492 496 2HB LEU 68 1HB LEU 68 2.331 -4.491 1.266 497 HG LEU 68 HG LEU 68 1.607 -5.961 2.929 498 1HD1 LEU 68 1HD1 LEU 68 4.444 -5.442 3.847 499 2HD1 LEU 68 2HD1 LEU 68 4.029 -6.360 2.401 500 3HD1 LEU 68 3HD1 LEU 68 3.540 -6.941 3.986 501 1HD2 LEU 68 1HD2 LEU 68 2.338 -5.439 5.410 502 2HD2 LEU 68 2HD2 LEU 68 0.931 -4.647 4.705 503 3HD2 LEU 68 3HD2 LEU 68 2.466 -3.787 4.803 504 H HIS 69 H HIS 69 5.903 -4.903 3.041 505 HA HIS 69 HA HIS 69 6.421 -5.854 0.265 506 1HB HIS 69 2HB HIS 69 8.768 -5.428 0.429 507 2HB HIS 69 1HB HIS 69 7.960 -3.934 0.901 508 HD1 HIS 69 1HD HIS 69 10.461 -6.283 2.060 509 HD2 HIS 69 2HD HIS 69 7.678 -3.786 3.884 510 HE1 HIS 69 1HE HIS 69 11.192 -6.037 4.475 511 H ASP 70 H ASP 70 8.324 -7.539 0.494 512 HA ASP 70 HA ASP 70 7.407 -9.505 2.541 513 1HB ASP 70 2HB ASP 70 8.910 -9.912 -0.059 514 2HB ASP 70 1HB ASP 70 8.427 -11.198 1.046 515 HA PRO 71 HA PRO 71 11.497 -8.323 4.223 516 1HB PRO 71 2HB PRO 71 10.885 -9.915 6.543 517 2HB PRO 71 1HB PRO 71 10.919 -8.155 6.404 518 1HG PRO 71 2HG PRO 71 8.634 -9.818 6.724 519 2HG PRO 71 1HG PRO 71 8.672 -8.074 6.477 520 1HD PRO 71 2HD PRO 71 7.876 -10.145 4.599 521 2HD PRO 71 1HD PRO 71 7.758 -8.377 4.421 522 H THR 72 H THR 72 10.266 -11.241 3.153 523 HA THR 72 HA THR 72 12.540 -12.899 4.064 524 HB THR 72 HB THR 72 11.325 -14.738 3.310 525 HG1 THR 72 1HG THR 72 9.789 -14.532 1.618 526 1HG2 THR 72 1HG2 THR 72 10.011 -13.421 4.992 527 2HG2 THR 72 2HG2 THR 72 9.005 -14.411 3.935 528 3HG2 THR 72 3HG2 THR 72 9.134 -12.674 3.657 529 H GLN 73 H GLN 73 11.534 -11.049 1.288 530 HA GLN 73 HA GLN 73 12.509 -10.788 -0.839 531 1HB GLN 73 2HB GLN 73 14.883 -11.215 0.986 532 2HB GLN 73 1HB GLN 73 15.066 -10.805 -0.720 533 1HG GLN 73 2HG GLN 73 13.359 -9.168 1.164 534 2HG GLN 73 1HG GLN 73 15.071 -8.832 0.904 535 1HE2 GLN 73 1HE2 GLN 73 15.206 -9.434 -1.905 536 2HE2 GLN 73 2HE2 GLN 73 14.286 -8.276 -2.738 537 H GLY 74 H GLY 74 11.720 -13.559 0.019 538 1HA GLY 74 2HA GLY 74 11.722 -15.568 -1.265 539 2HA GLY 74 1HA GLY 74 13.127 -14.974 -2.151 540 H THR 75 H THR 75 12.297 -15.885 1.218 541 HA THR 75 HA THR 75 14.599 -17.726 1.261 542 HB THR 75 HB THR 75 15.514 -16.655 3.346 543 HG1 THR 75 1HG THR 75 14.847 -14.522 3.743 544 1HG2 THR 75 1HG2 THR 75 16.373 -16.241 0.968 545 2HG2 THR 75 2HG2 THR 75 16.806 -15.033 2.179 546 3HG2 THR 75 3HG2 THR 75 15.502 -14.708 1.036 547 H GLU 76 H GLU 76 12.715 -16.080 3.810 548 HA GLU 76 HA GLU 76 12.281 -18.067 5.604 549 1HB GLU 76 2HB GLU 76 11.225 -15.741 5.555 550 2HB GLU 76 1HB GLU 76 9.936 -16.458 4.588 551 1HG GLU 76 2HG GLU 76 9.201 -16.554 6.869 552 2HG GLU 76 1HG GLU 76 9.679 -18.195 6.429 553 HA PRO 77 HA PRO 77 10.545 -21.138 2.669 554 1HB PRO 77 2HB PRO 77 10.907 -23.130 4.719 555 2HB PRO 77 1HB PRO 77 11.825 -22.918 3.227 556 1HG PRO 77 2HG PRO 77 12.719 -22.428 5.880 557 2HG PRO 77 1HG PRO 77 13.586 -22.092 4.379 558 1HD PRO 77 2HD PRO 77 12.323 -20.205 6.211 559 2HD PRO 77 1HD PRO 77 13.365 -19.864 4.807 560 H ASN 78 H ASN 78 8.905 -19.431 4.419 561 HA ASN 78 HA ASN 78 6.708 -21.376 4.953 562 1HB ASN 78 2HB ASN 78 7.301 -19.085 6.834 563 2HB ASN 78 1HB ASN 78 6.233 -20.465 7.097 564 1HD2 ASN 78 1HD2 ASN 78 7.900 -22.597 6.283 565 2HD2 ASN 78 2HD2 ASN 78 9.243 -22.683 7.316 566 H GLY 79 H GLY 79 7.673 -17.975 4.539 567 1HA GLY 79 2HA GLY 79 6.589 -16.321 3.240 568 2HA GLY 79 1HA GLY 79 5.364 -17.516 2.809 569 H GLU 80 H GLU 80 6.462 -15.638 5.654 570 HA GLU 80 HA GLU 80 3.664 -14.888 6.193 571 1HB GLU 80 2HB GLU 80 5.097 -16.965 7.698 572 2HB GLU 80 1HB GLU 80 4.489 -15.675 8.734 573 1HG GLU 80 2HG GLU 80 2.763 -17.029 6.651 574 2HG GLU 80 1HG GLU 80 2.883 -17.617 8.310 575 H GLY 81 H GLY 81 6.276 -13.592 5.504 576 1HA GLY 81 2HA GLY 81 6.994 -12.109 7.946 577 2HA GLY 81 1HA GLY 81 7.724 -11.900 6.354 578 H TRP 82 H TRP 82 6.160 -10.946 4.672 579 HA TRP 82 HA TRP 82 5.220 -8.839 4.111 580 1HB TRP 82 2HB TRP 82 2.762 -8.846 4.975 581 2HB TRP 82 1HB TRP 82 3.283 -10.134 3.892 582 HD1 TRP 82 HD TRP 82 4.101 -12.466 5.170 583 HE1 TRP 82 1HE TRP 82 3.078 -13.582 7.258 584 HE3 TRP 82 3HE TRP 82 1.540 -8.504 7.126 585 HZ2 TRP 82 2HZ TRP 82 1.395 -12.888 9.464 586 HZ3 TRP 82 3HZ TRP 82 0.234 -8.760 9.217 587 HH2 TRP 82 HH TRP 82 0.158 -10.944 10.387 588 H GLU 83 H GLU 83 6.336 -7.141 5.124 589 HA GLU 83 HA GLU 83 5.189 -6.267 7.764 590 1HB GLU 83 2HB GLU 83 7.510 -7.014 8.073 591 2HB GLU 83 1HB GLU 83 8.038 -5.942 6.772 592 1HG GLU 83 2HG GLU 83 7.461 -3.989 8.023 593 2HG GLU 83 1HG GLU 83 6.588 -4.936 9.227 594 H TRP 84 H TRP 84 4.742 -4.025 7.924 595 HA TRP 84 HA TRP 84 4.442 -2.682 5.356 596 1HB TRP 84 2HB TRP 84 3.900 -1.077 7.737 597 2HB TRP 84 1HB TRP 84 2.823 -1.495 6.404 598 HD1 TRP 84 HD TRP 84 4.320 -3.136 9.560 599 HE1 TRP 84 1HE TRP 84 2.597 -4.793 10.505 600 HE3 TRP 84 3HE TRP 84 0.682 -2.736 6.009 601 HZ2 TRP 84 2HZ TRP 84 0.015 -5.817 9.847 602 HZ3 TRP 84 3HZ TRP 84 -1.403 -4.063 6.193 603 HH2 TRP 84 HH TRP 84 -1.741 -5.603 8.107 604 H SER 85 H SER 85 5.720 -1.037 4.601 605 HA SER 85 HA SER 85 8.200 -0.523 6.081 606 1HB SER 85 2HB SER 85 8.465 -0.778 3.709 607 2HB SER 85 1HB SER 85 7.176 0.375 3.380 608 HG SER 85 HG SER 85 9.184 1.357 4.972 609 H SER 86 H SER 86 5.173 0.686 6.293 610 HA SER 86 HA SER 86 6.193 3.234 7.422 611 1HB SER 86 2HB SER 86 5.011 4.574 6.011 612 2HB SER 86 1HB SER 86 4.956 3.168 4.953 613 HG SER 86 HG SER 86 3.024 2.592 6.272 614 H SER 87 H SER 87 4.628 0.431 8.029 615 HA SER 87 HA SER 87 2.746 1.808 9.930 616 1HB SER 87 2HB SER 87 2.051 0.024 7.896 617 2HB SER 87 1HB SER 87 1.964 -0.931 9.374 618 HG SER 87 HG SER 87 0.887 1.228 10.100 619 H ASP 88 H ASP 88 5.607 0.316 9.959 620 HA ASP 88 HA ASP 88 6.786 -0.377 11.903 621 1HB ASP 88 2HB ASP 88 4.647 0.552 13.131 622 2HB ASP 88 1HB ASP 88 4.234 -1.155 13.293 623 H VAL 89 H VAL 89 5.079 -2.629 13.407 624 HA VAL 89 HA VAL 89 6.109 -4.793 11.646 625 HB VAL 89 HB VAL 89 5.141 -4.963 14.514 626 1HG1 VAL 89 1HG1 VAL 89 6.812 -6.997 14.317 627 2HG1 VAL 89 2HG1 VAL 89 6.477 -6.851 12.593 628 3HG1 VAL 89 3HG1 VAL 89 5.160 -7.158 13.724 629 1HG2 VAL 89 1HG2 VAL 89 7.898 -4.492 13.350 630 2HG2 VAL 89 2HG2 VAL 89 7.630 -5.031 15.008 631 3HG2 VAL 89 3HG2 VAL 89 7.023 -3.461 14.481 632 H MET 90 H MET 90 4.659 -6.904 12.026 633 HA MET 90 HA MET 90 2.152 -6.394 10.716 634 1HB MET 90 2HB MET 90 3.188 -8.876 12.107 635 2HB MET 90 1HB MET 90 1.753 -8.823 11.083 636 1HG MET 90 2HG MET 90 3.111 -8.097 9.176 637 2HG MET 90 1HG MET 90 4.554 -8.079 10.191 638 1HE MET 90 1HE MET 90 5.210 -10.059 11.661 639 2HE MET 90 2HE MET 90 6.177 -10.040 10.188 640 3HE MET 90 3HE MET 90 5.565 -11.569 10.811 641 H ASN 91 H ASN 91 0.922 -4.975 12.119 642 HA ASN 91 HA ASN 91 0.022 -6.256 14.671 643 1HB ASN 91 2HB ASN 91 0.810 -3.592 14.089 644 2HB ASN 91 1HB ASN 91 -0.937 -3.540 14.323 645 1HD2 ASN 91 1HD2 ASN 91 -1.644 -4.977 16.362 646 2HD2 ASN 91 2HD2 ASN 91 -0.687 -4.764 17.747 647 H TYR 92 H TYR 92 -0.778 -6.278 11.570 648 HA TYR 92 HA TYR 92 -3.581 -6.834 12.116 649 1HB TYR 92 2HB TYR 92 -3.712 -4.417 11.848 650 2HB TYR 92 1HB TYR 92 -2.823 -4.516 10.331 651 HD1 TYR 92 1HD TYR 92 -5.733 -6.390 11.820 652 HD2 TYR 92 2HD TYR 92 -4.192 -4.159 8.484 653 HE1 TYR 92 1HE TYR 92 -7.849 -6.765 10.589 654 HE2 TYR 92 2HE TYR 92 -6.313 -4.534 7.258 655 HH TYR 92 HH TYR 92 -8.562 -5.115 7.611 656 H PHE 93 H PHE 93 -4.642 -7.806 10.176 657 HA PHE 93 HA PHE 93 -2.710 -8.601 8.038 658 1HB PHE 93 2HB PHE 93 -3.844 -10.911 8.166 659 2HB PHE 93 1HB PHE 93 -2.692 -10.515 9.441 660 HD1 PHE 93 1HD PHE 93 -3.424 -10.058 11.714 661 HD2 PHE 93 2HD PHE 93 -6.265 -10.896 8.604 662 HE1 PHE 93 1HE PHE 93 -5.197 -10.372 13.420 663 HE2 PHE 93 2HE PHE 93 -8.039 -11.210 10.310 664 HZ PHE 93 HZ PHE 93 -7.504 -10.948 12.717 665 H ALA 94 H ALA 94 -3.665 -8.914 5.993 666 HA ALA 94 HA ALA 94 -6.510 -9.090 5.585 667 1HB ALA 94 1HB ALA 94 -7.160 -6.929 5.232 668 2HB ALA 94 2HB ALA 94 -5.617 -6.479 4.507 669 3HB ALA 94 3HB ALA 94 -5.780 -6.548 6.260 670 H TRP 95 H TRP 95 -3.774 -10.060 4.624 671 HA TRP 95 HA TRP 95 -3.602 -9.240 1.841 672 1HB TRP 95 2HB TRP 95 -2.202 -11.558 1.886 673 2HB TRP 95 1HB TRP 95 -1.536 -10.033 2.470 674 HD1 TRP 95 HD TRP 95 -0.919 -9.874 4.954 675 HE1 TRP 95 1HE TRP 95 -1.152 -11.440 6.988 676 HE3 TRP 95 3HE TRP 95 -3.880 -13.509 2.932 677 HZ2 TRP 95 2HZ TRP 95 -2.426 -13.911 7.667 678 HZ3 TRP 95 3HZ TRP 95 -4.587 -15.456 4.293 679 HH2 TRP 95 HH TRP 95 -3.865 -15.661 6.655 680 H GLU 96 H GLU 96 -4.089 -10.624 0.004 681 HA GLU 96 HA GLU 96 -6.627 -11.976 0.253 682 1HB GLU 96 2HB GLU 96 -5.641 -10.784 -1.817 683 2HB GLU 96 1HB GLU 96 -4.739 -12.275 -2.086 684 1HG GLU 96 2HG GLU 96 -6.824 -13.559 -2.154 685 2HG GLU 96 1HG GLU 96 -7.755 -12.101 -1.806 686 H ARG 97 H ARG 97 -3.343 -13.190 -0.514 687 HA ARG 97 HA ARG 97 -4.039 -15.730 0.852 688 1HB ARG 97 2HB ARG 97 -3.192 -15.485 -2.044 689 2HB ARG 97 1HB ARG 97 -3.015 -16.982 -1.129 690 1HG ARG 97 2HG ARG 97 -5.446 -16.946 -0.630 691 2HG ARG 97 1HG ARG 97 -5.608 -15.487 -1.608 692 1HD ARG 97 2HD ARG 97 -4.556 -16.832 -3.519 693 2HD ARG 97 1HD ARG 97 -4.831 -18.261 -2.522 694 HE ARG 97 HE ARG 97 -7.299 -16.999 -2.575 695 1HH1 ARG 97 1HH2 ARG 97 -5.177 -18.733 -4.611 696 2HH1 ARG 97 2HH2 ARG 97 -6.276 -18.802 -5.946 697 1HH2 ARG 97 1HH1 ARG 97 -8.666 -16.802 -4.427 698 2HH2 ARG 97 2HH1 ARG 97 -8.253 -17.710 -5.843 699 H ASN 98 H ASN 98 -2.073 -17.027 1.298 700 HA ASN 98 HA ASN 98 0.173 -15.284 1.952 701 1HB ASN 98 2HB ASN 98 1.166 -17.488 2.805 702 2HB ASN 98 1HB ASN 98 -0.326 -16.953 3.580 703 1HD2 ASN 98 1HD2 ASN 98 -0.641 -19.335 4.087 704 2HD2 ASN 98 2HD2 ASN 98 -1.303 -20.339 2.889 705 HA PRO 99 HA PRO 99 2.485 -15.923 -1.790 706 1HB PRO 99 2HB PRO 99 5.009 -16.110 -0.412 707 2HB PRO 99 1HB PRO 99 4.341 -14.730 -1.287 708 1HG PRO 99 2HG PRO 99 4.595 -15.091 1.569 709 2HG PRO 99 1HG PRO 99 4.042 -13.664 0.685 710 1HD PRO 99 2HD PRO 99 2.448 -15.420 2.271 711 2HD PRO 99 1HD PRO 99 1.870 -14.103 1.220 712 H SER 100 H SER 100 2.476 -18.153 0.817 713 HA SER 100 HA SER 100 4.230 -20.139 -0.390 714 1HB SER 100 2HB SER 100 3.681 -21.504 1.449 715 2HB SER 100 1HB SER 100 3.567 -19.874 2.108 716 HG SER 100 HG SER 100 1.419 -20.019 2.128 717 H THR 101 H THR 101 1.177 -19.045 -1.191 718 HA THR 101 HA THR 101 0.457 -21.679 -2.432 719 HB THR 101 HB THR 101 -1.904 -20.855 -2.362 720 HG1 THR 101 1HG THR 101 -1.856 -18.732 -2.165 721 1HG2 THR 101 1HG2 THR 101 -0.360 -21.053 0.230 722 2HG2 THR 101 2HG2 THR 101 -1.231 -22.339 -0.605 723 3HG2 THR 101 3HG2 THR 101 -2.121 -21.024 0.162 724 H ILE 102 H ILE 102 1.532 -18.562 -3.040 725 HA ILE 102 HA ILE 102 0.256 -18.479 -5.744 726 HB ILE 102 HB ILE 102 1.804 -16.318 -4.282 727 1HG1 ILE 102 2HG1 ILE 102 -1.184 -16.444 -4.752 728 2HG1 ILE 102 1HG1 ILE 102 -0.441 -17.056 -3.272 729 1HG2 ILE 102 1HG2 ILE 102 1.890 -15.994 -6.672 730 2HG2 ILE 102 2HG2 ILE 102 0.691 -14.872 -6.030 731 3HG2 ILE 102 3HG2 ILE 102 0.171 -16.354 -6.834 732 1HD1 ILE 102 1HD1 ILE 102 0.457 -14.888 -2.733 733 2HD1 ILE 102 2HD1 ILE 102 -1.244 -14.657 -3.135 734 3HD1 ILE 102 3HD1 ILE 102 0.004 -14.246 -4.311 735 H SER 103 H SER 103 1.618 -18.228 -7.600 736 HA SER 103 HA SER 103 4.070 -19.685 -7.548 737 1HB SER 103 2HB SER 103 3.032 -17.676 -9.569 738 2HB SER 103 1HB SER 103 4.424 -18.721 -9.834 739 HG SER 103 HG SER 103 1.766 -19.548 -9.251 740 H SER 104 H SER 104 6.224 -18.665 -8.245 741 HA SER 104 HA SER 104 7.618 -17.259 -6.523 742 1HB SER 104 2HB SER 104 7.549 -16.134 -9.323 743 2HB SER 104 1HB SER 104 8.922 -16.219 -8.222 744 HG SER 104 HG SER 104 7.525 -18.494 -9.183 745 HA PRO 105 HA PRO 105 4.627 -13.769 -5.994 746 1HB PRO 105 2HB PRO 105 5.478 -13.638 -3.245 747 2HB PRO 105 1HB PRO 105 3.922 -14.179 -3.882 748 1HG PRO 105 2HG PRO 105 5.903 -15.793 -2.665 749 2HG PRO 105 1HG PRO 105 4.448 -16.350 -3.498 750 1HD PRO 105 2HD PRO 105 7.244 -16.433 -4.409 751 2HD PRO 105 1HD PRO 105 5.825 -17.284 -5.067 752 H GLY 106 H GLY 106 5.200 -11.616 -6.228 753 1HA GLY 106 2HA GLY 106 7.927 -10.828 -6.475 754 2HA GLY 106 1HA GLY 106 6.569 -9.709 -6.337 755 H HIS 107 H HIS 107 7.862 -8.343 -4.927 756 HA HIS 107 HA HIS 107 7.975 -9.400 -2.133 757 1HB HIS 107 2HB HIS 107 10.022 -7.415 -3.077 758 2HB HIS 107 1HB HIS 107 10.128 -8.588 -1.766 759 HD1 HIS 107 1HD HIS 107 9.647 -11.221 -2.972 760 HD2 HIS 107 2HD HIS 107 11.700 -8.283 -5.081 761 HE1 HIS 107 1HE HIS 107 11.000 -12.403 -4.752 762 H CYS 108 H CYS 108 6.043 -7.696 -3.677 763 HA CYS 108 HA CYS 108 5.887 -5.517 -1.682 764 1HB CYS 108 2HB CYS 108 5.985 -5.083 -4.673 765 2HB CYS 108 1HB CYS 108 5.350 -3.882 -3.550 766 H ALA 109 H ALA 109 3.737 -4.943 -1.239 767 HA ALA 109 HA ALA 109 1.686 -6.591 -2.655 768 1HB ALA 109 1HB ALA 109 0.713 -6.988 -0.651 769 2HB ALA 109 2HB ALA 109 0.839 -5.301 -0.158 770 3HB ALA 109 3HB ALA 109 2.212 -6.389 0.054 771 H SER 110 H SER 110 -0.258 -5.635 -3.288 772 HA SER 110 HA SER 110 -0.452 -2.666 -3.188 773 1HB SER 110 2HB SER 110 -1.268 -3.836 -5.766 774 2HB SER 110 1HB SER 110 -0.299 -2.401 -5.446 775 HG SER 110 HG SER 110 1.119 -4.495 -4.697 776 H LEU 111 H LEU 111 -2.732 -1.986 -3.835 777 HA LEU 111 HA LEU 111 -4.657 -3.856 -2.626 778 1HB LEU 111 2HB LEU 111 -5.003 -1.062 -3.761 779 2HB LEU 111 1HB LEU 111 -6.264 -1.970 -2.938 780 HG LEU 111 HG LEU 111 -3.807 -1.893 -1.354 781 1HD1 LEU 111 1HD1 LEU 111 -3.406 0.266 -2.369 782 2HD1 LEU 111 2HD1 LEU 111 -4.057 0.546 -0.756 783 3HD1 LEU 111 3HD1 LEU 111 -5.094 0.728 -2.169 784 1HD2 LEU 111 1HD2 LEU 111 -6.198 -2.441 -0.645 785 2HD2 LEU 111 2HD2 LEU 111 -6.530 -0.713 -0.752 786 3HD2 LEU 111 3HD2 LEU 111 -5.336 -1.312 0.399 787 H SER 112 H SER 112 -6.418 -4.750 -3.767 788 HA SER 112 HA SER 112 -6.183 -4.649 -6.757 789 1HB SER 112 2HB SER 112 -7.442 -6.895 -5.181 790 2HB SER 112 1HB SER 112 -6.856 -6.920 -6.841 791 HG SER 112 HG SER 112 -4.747 -6.347 -5.722 792 H ARG 113 H ARG 113 -7.836 -3.474 -7.619 793 HA ARG 113 HA ARG 113 -10.168 -2.658 -6.230 794 1HB ARG 113 2HB ARG 113 -9.517 -1.545 -8.281 795 2HB ARG 113 1HB ARG 113 -9.712 -3.033 -9.204 796 1HG ARG 113 2HG ARG 113 -12.114 -2.249 -7.670 797 2HG ARG 113 1HG ARG 113 -11.656 -1.100 -8.926 798 1HD ARG 113 2HD ARG 113 -11.798 -4.058 -9.503 799 2HD ARG 113 1HD ARG 113 -13.234 -3.038 -9.596 800 HE ARG 113 HE ARG 113 -11.424 -1.661 -11.137 801 1HH1 ARG 113 1HH2 ARG 113 -10.480 -4.699 -11.242 802 2HH1 ARG 113 2HH2 ARG 113 -11.099 -5.114 -12.806 803 1HH2 ARG 113 1HH1 ARG 113 -13.092 -2.288 -13.056 804 2HH2 ARG 113 2HH1 ARG 113 -12.579 -3.748 -13.833 805 H SER 114 H SER 114 -9.490 -5.633 -7.968 806 HA SER 114 HA SER 114 -12.119 -6.593 -8.360 807 1HB SER 114 2HB SER 114 -11.146 -8.800 -8.453 808 2HB SER 114 1HB SER 114 -9.984 -7.683 -9.160 809 HG SER 114 HG SER 114 -9.186 -7.589 -6.849 810 H THR 115 H THR 115 -10.403 -6.033 -5.436 811 HA THR 115 HA THR 115 -12.474 -7.572 -3.909 812 HB THR 115 HB THR 115 -10.768 -7.673 -2.081 813 HG1 THR 115 1HG THR 115 -9.264 -6.227 -2.368 814 1HG2 THR 115 1HG2 THR 115 -9.446 -9.431 -3.091 815 2HG2 THR 115 2HG2 THR 115 -9.751 -8.789 -4.706 816 3HG2 THR 115 3HG2 THR 115 -11.069 -9.504 -3.779 817 H ALA 116 H ALA 116 -12.535 -4.755 -4.930 818 HA ALA 116 HA ALA 116 -13.222 -2.661 -4.128 819 1HB ALA 116 1HB ALA 116 -14.693 -4.301 -2.740 820 2HB ALA 116 2HB ALA 116 -14.535 -2.639 -2.174 821 3HB ALA 116 3HB ALA 116 -13.594 -3.921 -1.413 822 H PHE 117 H PHE 117 -10.398 -3.639 -3.832 823 HA PHE 117 HA PHE 117 -8.393 -2.829 -2.943 824 1HB PHE 117 2HB PHE 117 -10.058 -0.534 -1.873 825 2HB PHE 117 1HB PHE 117 -8.334 -0.532 -2.230 826 HD1 PHE 117 1HD PHE 117 -11.707 -0.308 -3.629 827 HD2 PHE 117 2HD PHE 117 -7.527 -0.606 -4.571 828 HE1 PHE 117 1HE PHE 117 -12.182 0.391 -5.961 829 HE2 PHE 117 2HE PHE 117 -8.002 0.094 -6.902 830 HZ PHE 117 HZ PHE 117 -10.330 0.593 -7.596 831 H LEU 118 H LEU 118 -10.177 -4.573 -1.344 832 HA LEU 118 HA LEU 118 -9.399 -3.704 1.414 833 1HB LEU 118 2HB LEU 118 -11.566 -5.600 0.467 834 2HB LEU 118 1HB LEU 118 -11.154 -5.332 2.160 835 HG LEU 118 HG LEU 118 -12.068 -3.182 0.227 836 1HD1 LEU 118 1HD1 LEU 118 -14.169 -3.224 1.429 837 2HD1 LEU 118 2HD1 LEU 118 -13.543 -4.414 2.570 838 3HD1 LEU 118 3HD1 LEU 118 -13.817 -4.864 0.887 839 1HD2 LEU 118 1HD2 LEU 118 -12.398 -2.068 2.630 840 2HD2 LEU 118 2HD2 LEU 118 -10.848 -1.983 1.797 841 3HD2 LEU 118 3HD2 LEU 118 -11.102 -3.180 3.067 842 H ARG 119 H ARG 119 -8.144 -5.484 -0.948 843 HA ARG 119 HA ARG 119 -6.996 -7.462 0.969 844 1HB ARG 119 2HB ARG 119 -8.044 -8.064 -1.812 845 2HB ARG 119 1HB ARG 119 -7.049 -9.172 -0.872 846 1HG ARG 119 2HG ARG 119 -9.695 -8.039 0.082 847 2HG ARG 119 1HG ARG 119 -9.512 -9.624 -0.668 848 1HD ARG 119 2HD ARG 119 -7.635 -9.898 1.215 849 2HD ARG 119 1HD ARG 119 -8.630 -8.694 2.034 850 HE ARG 119 HE ARG 119 -9.412 -11.468 1.433 851 1HH1 ARG 119 1HH1 ARG 119 -10.721 -8.330 1.612 852 2HH1 ARG 119 2HH1 ARG 119 -12.037 -8.772 2.647 853 1HH2 ARG 119 1HH2 ARG 119 -10.942 -12.033 3.087 854 2HH2 ARG 119 2HH2 ARG 119 -12.162 -10.868 3.483 855 H TRP 120 H TRP 120 -4.796 -7.839 0.640 856 HA TRP 120 HA TRP 120 -3.486 -6.018 -1.312 857 1HB TRP 120 2HB TRP 120 -2.202 -7.656 0.889 858 2HB TRP 120 1HB TRP 120 -1.486 -6.308 0.007 859 HD1 TRP 120 HD TRP 120 -3.654 -4.152 0.115 860 HE1 TRP 120 1HE TRP 120 -4.390 -3.085 2.346 861 HE3 TRP 120 3HE TRP 120 -2.141 -7.783 3.369 862 HZ2 TRP 120 2HZ TRP 120 -4.340 -3.695 5.141 863 HZ3 TRP 120 3HZ TRP 120 -2.496 -7.517 5.806 864 HH2 TRP 120 HH TRP 120 -3.594 -5.481 6.695 865 H LYS 121 H LYS 121 -2.352 -6.790 -3.046 866 HA LYS 121 HA LYS 121 -1.966 -9.757 -3.249 867 1HB LYS 121 2HB LYS 121 -3.736 -8.672 -4.788 868 2HB LYS 121 1HB LYS 121 -2.370 -7.928 -5.619 869 1HG LYS 121 2HG LYS 121 -1.412 -10.105 -6.112 870 2HG LYS 121 1HG LYS 121 -2.649 -10.910 -5.148 871 1HD LYS 121 2HD LYS 121 -4.364 -9.838 -6.713 872 2HD LYS 121 1HD LYS 121 -3.005 -9.431 -7.759 873 1HE LYS 121 2HE LYS 121 -2.373 -11.816 -7.870 874 2HE LYS 121 1HE LYS 121 -3.739 -12.224 -6.831 875 1HZ LYS 121 1HZ LYS 121 -4.154 -12.495 -9.256 876 2HZ LYS 121 2HZ LYS 121 -4.019 -10.810 -9.422 877 3HZ LYS 121 3HZ LYS 121 -5.257 -11.476 -8.468 878 H ASP 122 H ASP 122 0.004 -10.454 -4.072 879 HA ASP 122 HA ASP 122 2.206 -8.636 -3.722 880 1HB ASP 122 2HB ASP 122 2.150 -11.404 -4.955 881 2HB ASP 122 1HB ASP 122 3.605 -10.537 -4.464 882 H TYR 123 H TYR 123 3.676 -7.857 -5.347 883 HA TYR 123 HA TYR 123 3.029 -8.279 -8.181 884 1HB TYR 123 2HB TYR 123 2.113 -5.907 -6.698 885 2HB TYR 123 1HB TYR 123 3.046 -5.506 -8.138 886 HD1 TYR 123 1HD TYR 123 2.347 -6.425 -10.370 887 HD2 TYR 123 2HD TYR 123 -0.087 -6.833 -6.855 888 HE1 TYR 123 1HE TYR 123 0.386 -6.957 -11.791 889 HE2 TYR 123 2HE TYR 123 -2.048 -7.363 -8.276 890 HH TYR 123 HH TYR 123 -1.816 -8.230 -11.481 891 H ASN 124 H ASN 124 4.689 -7.342 -9.586 892 HA ASN 124 HA ASN 124 7.331 -7.590 -8.602 893 1HB ASN 124 2HB ASN 124 6.204 -6.206 -11.043 894 2HB ASN 124 1HB ASN 124 7.938 -6.281 -10.728 895 1HD2 ASN 124 1HD2 ASN 124 5.231 -8.065 -11.946 896 2HD2 ASN 124 2HD2 ASN 124 6.034 -9.543 -12.174 897 H CYS 125 H CYS 125 8.240 -6.308 -7.088 898 HA CYS 125 HA CYS 125 7.369 -3.843 -6.143 899 1HB CYS 125 2HB CYS 125 10.177 -4.949 -6.329 900 2HB CYS 125 1HB CYS 125 9.782 -3.475 -5.447 901 H ASN 126 H ASN 126 8.522 -4.360 -9.283 902 HA ASN 126 HA ASN 126 9.572 -1.579 -9.487 903 1HB ASN 126 2HB ASN 126 9.659 -3.895 -11.447 904 2HB ASN 126 1HB ASN 126 10.336 -2.296 -11.756 905 1HD2 ASN 126 1HD2 ASN 126 12.448 -3.603 -11.906 906 2HD2 ASN 126 2HD2 ASN 126 13.282 -3.920 -10.460 907 H VAL 127 H VAL 127 6.909 -3.612 -10.662 908 HA VAL 127 HA VAL 127 5.958 -1.921 -12.735 909 HB VAL 127 HB VAL 127 4.519 -3.708 -10.758 910 1HG1 VAL 127 1HG1 VAL 127 2.868 -2.056 -11.250 911 2HG1 VAL 127 2HG1 VAL 127 2.530 -3.393 -12.347 912 3HG1 VAL 127 3HG1 VAL 127 3.365 -1.957 -12.939 913 1HG2 VAL 127 1HG2 VAL 127 4.340 -5.207 -12.593 914 2HG2 VAL 127 2HG2 VAL 127 5.983 -4.574 -12.696 915 3HG2 VAL 127 3HG2 VAL 127 4.728 -3.946 -13.764 916 H ARG 128 H ARG 128 5.140 0.193 -12.626 917 HA ARG 128 HA ARG 128 5.000 1.382 -9.955 918 1HB ARG 128 2HB ARG 128 4.380 2.763 -12.558 919 2HB ARG 128 1HB ARG 128 5.057 3.449 -11.087 920 1HG ARG 128 2HG ARG 128 7.058 1.888 -11.464 921 2HG ARG 128 1HG ARG 128 6.411 1.644 -13.087 922 1HD ARG 128 2HD ARG 128 6.361 4.225 -13.244 923 2HD ARG 128 1HD ARG 128 7.420 4.198 -11.836 924 HE ARG 128 HE ARG 128 9.159 3.305 -13.203 925 1HH1 ARG 128 1HH1 ARG 128 7.323 1.339 -14.660 926 2HH1 ARG 128 2HH1 ARG 128 7.439 1.925 -16.286 927 1HH2 ARG 128 1HH2 ARG 128 8.796 4.981 -15.369 928 2HH2 ARG 128 2HH2 ARG 128 8.273 3.987 -16.688 929 H LEU 129 H LEU 129 3.054 2.378 -9.046 930 HA LEU 129 HA LEU 129 0.598 1.892 -10.700 931 1HB LEU 129 2HB LEU 129 1.245 0.653 -8.034 932 2HB LEU 129 1HB LEU 129 -0.427 0.992 -8.445 933 HG LEU 129 HG LEU 129 0.823 -0.307 -10.695 934 1HD1 LEU 129 1HD1 LEU 129 2.436 -1.240 -9.121 935 2HD1 LEU 129 2HD1 LEU 129 1.295 -2.498 -9.596 936 3HD1 LEU 129 3HD1 LEU 129 1.137 -1.711 -8.026 937 1HD2 LEU 129 1HD2 LEU 129 -1.289 -1.141 -8.691 938 2HD2 LEU 129 2HD2 LEU 129 -0.960 -1.982 -10.206 939 3HD2 LEU 129 3HD2 LEU 129 -1.566 -0.328 -10.231 940 HA PRO 130 HA PRO 130 -0.640 5.714 -8.827 941 1HB PRO 130 2HB PRO 130 -3.276 4.821 -8.037 942 2HB PRO 130 1HB PRO 130 -2.854 5.843 -9.413 943 1HG PRO 130 2HG PRO 130 -3.678 3.070 -9.426 944 2HG PRO 130 1HG PRO 130 -3.375 4.133 -10.802 945 1HD PRO 130 2HD PRO 130 -1.766 1.937 -9.959 946 2HD PRO 130 1HD PRO 130 -1.353 3.136 -11.207 947 H TYR 131 H TYR 131 -0.246 6.309 -6.565 948 HA TYR 131 HA TYR 131 -0.785 4.111 -4.595 949 1HB TYR 131 2HB TYR 131 1.422 4.414 -3.626 950 2HB TYR 131 1HB TYR 131 1.579 4.074 -5.349 951 HD1 TYR 131 1HD TYR 131 1.754 6.076 -6.958 952 HD2 TYR 131 2HD TYR 131 2.356 6.385 -2.717 953 HE1 TYR 131 1HE TYR 131 2.968 8.214 -7.287 954 HE2 TYR 131 2HE TYR 131 3.570 8.522 -3.046 955 HH TYR 131 HH TYR 131 3.684 10.330 -4.732 956 H VAL 132 H VAL 132 -0.313 4.877 -2.296 957 HA VAL 132 HA VAL 132 -1.368 7.665 -1.949 958 HB VAL 132 HB VAL 132 -1.726 5.239 -0.156 959 1HG1 VAL 132 1HG1 VAL 132 -2.779 8.078 0.052 960 2HG1 VAL 132 2HG1 VAL 132 -1.608 7.323 1.132 961 3HG1 VAL 132 3HG1 VAL 132 -3.271 6.744 1.093 962 1HG2 VAL 132 1HG2 VAL 132 -3.942 5.106 -0.932 963 2HG2 VAL 132 2HG2 VAL 132 -3.036 5.452 -2.405 964 3HG2 VAL 132 3HG2 VAL 132 -3.911 6.744 -1.584 965 H CYS 133 H CYS 133 -0.461 8.764 0.007 966 HA CYS 133 HA CYS 133 2.053 7.535 1.028 967 1HB CYS 133 2HB CYS 133 2.828 8.821 -0.854 968 2HB CYS 133 1HB CYS 133 1.836 10.202 -0.390 969 H LYS 134 H LYS 134 2.304 7.915 3.191 970 HA LYS 134 HA LYS 134 0.473 9.911 4.449 971 1HB LYS 134 2HB LYS 134 0.456 8.580 6.334 972 2HB LYS 134 1HB LYS 134 0.799 7.339 5.130 973 1HG LYS 134 2HG LYS 134 3.283 7.825 5.567 974 2HG LYS 134 1HG LYS 134 2.744 8.724 6.986 975 1HD LYS 134 2HD LYS 134 1.375 6.537 7.505 976 2HD LYS 134 1HD LYS 134 2.545 5.778 6.424 977 1HE LYS 134 2HE LYS 134 3.326 5.647 8.751 978 2HE LYS 134 1HE LYS 134 4.390 6.690 7.809 979 1HZ LYS 134 1HZ LYS 134 3.673 7.566 10.036 980 2HZ LYS 134 2HZ LYS 134 2.114 7.740 9.383 981 3HZ LYS 134 3HZ LYS 134 3.417 8.605 8.720 982 H PHE 135 H PHE 135 1.375 11.372 6.094 983 HA PHE 135 HA PHE 135 4.190 11.591 6.615 984 1HB PHE 135 2HB PHE 135 4.648 13.630 5.203 985 2HB PHE 135 1HB PHE 135 4.461 12.141 4.278 986 HD1 PHE 135 1HD PHE 135 2.512 11.762 2.862 987 HD2 PHE 135 2HD PHE 135 2.883 15.344 5.206 988 HE1 PHE 135 1HE PHE 135 0.653 12.791 1.584 989 HE2 PHE 135 2HE PHE 135 1.024 16.373 3.927 990 HZ PHE 135 HZ PHE 135 -0.091 15.096 2.116 991 H THR 136 H THR 136 4.218 12.737 8.499 992 HA THR 136 HA THR 136 1.932 14.492 9.140 993 HB THR 136 HB THR 136 4.325 14.072 10.923 994 HG1 THR 136 1HG THR 136 2.130 12.338 10.982 995 1HG2 THR 136 1HG2 THR 136 1.370 14.249 11.554 996 2HG2 THR 136 2HG2 THR 136 2.421 15.662 11.470 997 3HG2 THR 136 3HG2 THR 136 2.722 14.411 12.675 998 H ASP 137 H ASP 137 4.153 15.899 10.918 999 HA ASP 137 HA ASP 137 5.494 17.558 8.897 1000 1HB ASP 137 2HB ASP 137 3.530 18.857 10.804 1001 2HB ASP 137 1HB ASP 137 4.436 19.635 9.505 Start of MODEL 13 1 1H ARG 1 1HT ARG 1 -3.277 20.442 9.827 2 2H ARG 1 2HT ARG 1 -2.892 22.068 10.139 3 3H ARG 1 3HT ARG 1 -1.672 20.974 9.690 4 HA ARG 1 HA ARG 1 -3.884 22.001 8.000 5 1HB ARG 1 2HB ARG 1 -0.905 22.370 8.142 6 2HB ARG 1 1HB ARG 1 -1.709 22.484 6.576 7 1HG ARG 1 2HG ARG 1 -3.057 24.306 7.273 8 2HG ARG 1 1HG ARG 1 -2.708 24.018 8.978 9 1HD ARG 1 2HD ARG 1 -1.460 25.972 7.914 10 2HD ARG 1 1HD ARG 1 -0.453 24.783 8.739 11 HE ARG 1 HE ARG 1 -0.732 24.105 5.952 12 1HH1 ARG 1 1HH2 ARG 1 0.790 26.238 8.191 13 2HH1 ARG 1 2HH2 ARG 1 2.167 26.531 7.182 14 1HH2 ARG 1 1HH1 ARG 1 1.054 24.480 4.616 15 2HH2 ARG 1 2HH1 ARG 1 2.317 25.535 5.159 16 H CYS 2 H CYS 2 -4.231 20.928 6.058 17 HA CYS 2 HA CYS 2 -2.594 18.586 5.392 18 1HB CYS 2 2HB CYS 2 -4.678 18.092 7.001 19 2HB CYS 2 1HB CYS 2 -5.536 18.089 5.462 20 HA PRO 3 HA PRO 3 -3.472 20.359 1.384 21 1HB PRO 3 2HB PRO 3 -3.124 17.826 0.057 22 2HB PRO 3 1HB PRO 3 -1.998 19.182 0.141 23 1HG PRO 3 2HG PRO 3 -1.843 16.648 1.508 24 2HG PRO 3 1HG PRO 3 -0.674 17.972 1.516 25 1HD PRO 3 2HD PRO 3 -2.367 17.154 3.669 26 2HD PRO 3 1HD PRO 3 -1.300 18.579 3.620 27 H LYS 4 H LYS 4 -5.069 20.122 -0.382 28 HA LYS 4 HA LYS 4 -7.621 19.198 0.569 29 1HB LYS 4 2HB LYS 4 -6.698 20.251 -2.114 30 2HB LYS 4 1HB LYS 4 -8.375 19.836 -1.764 31 1HG LYS 4 2HG LYS 4 -6.932 21.670 0.124 32 2HG LYS 4 1HG LYS 4 -7.494 22.320 -1.416 33 1HD LYS 4 2HD LYS 4 -9.761 21.823 -0.933 34 2HD LYS 4 1HD LYS 4 -9.328 20.729 0.381 35 1HE LYS 4 2HE LYS 4 -10.172 23.131 0.972 36 2HE LYS 4 1HE LYS 4 -8.775 22.485 1.835 37 1HZ LYS 4 1HZ LYS 4 -8.168 23.844 -0.647 38 2HZ LYS 4 2HZ LYS 4 -7.393 23.935 0.864 39 3HZ LYS 4 3HZ LYS 4 -8.801 24.841 0.570 40 H GLY 5 H GLY 5 -8.830 17.424 -0.229 41 1HA GLY 5 2HA GLY 5 -9.165 15.336 -1.282 42 2HA GLY 5 1HA GLY 5 -7.727 15.652 -2.264 43 H SER 6 H SER 6 -6.589 16.395 0.584 44 HA SER 6 HA SER 6 -5.440 13.691 1.023 45 1HB SER 6 2HB SER 6 -3.683 14.763 2.104 46 2HB SER 6 1HB SER 6 -4.200 16.040 1.009 47 HG SER 6 HG SER 6 -5.238 15.719 3.626 48 H LYS 7 H LYS 7 -5.644 12.569 3.027 49 HA LYS 7 HA LYS 7 -7.671 13.711 4.926 50 1HB LYS 7 2HB LYS 7 -7.437 10.860 3.922 51 2HB LYS 7 1HB LYS 7 -8.476 11.359 5.257 52 1HG LYS 7 2HG LYS 7 -9.483 13.069 3.620 53 2HG LYS 7 1HG LYS 7 -8.664 12.165 2.349 54 1HD LYS 7 2HD LYS 7 -10.418 10.728 4.335 55 2HD LYS 7 1HD LYS 7 -11.133 11.544 2.948 56 1HE LYS 7 2HE LYS 7 -9.984 10.171 1.400 57 2HE LYS 7 1HE LYS 7 -8.839 9.610 2.617 58 1HZ LYS 7 1HZ LYS 7 -11.415 9.003 3.504 59 2HZ LYS 7 2HZ LYS 7 -10.182 7.927 3.047 60 3HZ LYS 7 3HZ LYS 7 -11.300 8.483 1.893 61 H ALA 8 H ALA 8 -7.024 13.677 7.037 62 HA ALA 8 HA ALA 8 -4.389 12.493 7.643 63 1HB ALA 8 1HB ALA 8 -6.214 14.031 9.504 64 2HB ALA 8 2HB ALA 8 -5.063 14.807 8.416 65 3HB ALA 8 3HB ALA 8 -4.485 13.741 9.698 66 H TYR 9 H TYR 9 -4.163 10.563 8.615 67 HA TYR 9 HA TYR 9 -6.387 9.507 10.295 68 1HB TYR 9 2HB TYR 9 -6.344 8.597 7.849 69 2HB TYR 9 1HB TYR 9 -4.915 7.706 8.372 70 HD1 TYR 9 1HD TYR 9 -8.549 8.091 8.748 71 HD2 TYR 9 2HD TYR 9 -5.069 5.970 10.105 72 HE1 TYR 9 1HE TYR 9 -10.003 6.393 9.823 73 HE2 TYR 9 2HE TYR 9 -6.523 4.274 11.182 74 HH TYR 9 HH TYR 9 -10.022 4.682 11.329 75 H GLY 10 H GLY 10 -5.627 7.966 11.898 76 1HA GLY 10 2HA GLY 10 -4.054 7.169 13.449 77 2HA GLY 10 1HA GLY 10 -2.926 7.074 12.096 78 H SER 11 H SER 11 -1.890 9.194 11.445 79 HA SER 11 HA SER 11 -1.953 11.469 13.190 80 1HB SER 11 2HB SER 11 -0.894 10.037 14.829 81 2HB SER 11 1HB SER 11 0.279 9.469 13.644 82 HG SER 11 HG SER 11 0.052 11.971 14.911 83 H HIS 12 H HIS 12 -1.757 10.742 10.302 84 HA HIS 12 HA HIS 12 0.432 12.605 9.635 85 1HB HIS 12 2HB HIS 12 0.199 9.901 8.287 86 2HB HIS 12 1HB HIS 12 1.432 11.126 8.006 87 HD1 HIS 12 1HD HIS 12 3.481 11.024 9.443 88 HD2 HIS 12 2HD HIS 12 0.362 8.750 11.014 89 HE1 HIS 12 1HE HIS 12 4.436 9.774 11.430 90 H CYS 13 H CYS 13 0.173 13.448 7.426 91 HA CYS 13 HA CYS 13 -2.665 13.511 6.628 92 1HB CYS 13 2HB CYS 13 -0.220 15.111 6.045 93 2HB CYS 13 1HB CYS 13 -1.430 15.037 4.763 94 H TYR 14 H TYR 14 -3.459 12.192 5.048 95 HA TYR 14 HA TYR 14 -1.493 10.673 3.414 96 1HB TYR 14 2HB TYR 14 -4.419 10.175 4.009 97 2HB TYR 14 1HB TYR 14 -3.453 9.185 2.917 98 HD1 TYR 14 1HD TYR 14 -3.294 10.606 6.387 99 HD2 TYR 14 2HD TYR 14 -2.363 7.311 3.794 100 HE1 TYR 14 1HE TYR 14 -2.403 9.337 8.316 101 HE2 TYR 14 2HE TYR 14 -1.479 6.041 5.731 102 HH TYR 14 HH TYR 14 -1.917 6.101 8.323 103 H ALA 15 H ALA 15 -1.502 10.794 1.181 104 HA ALA 15 HA ALA 15 -3.622 12.444 -0.114 105 1HB ALA 15 1HB ALA 15 -1.890 13.611 -1.442 106 2HB ALA 15 2HB ALA 15 -0.634 12.775 -0.527 107 3HB ALA 15 3HB ALA 15 -1.696 13.927 0.282 108 H LEU 16 H LEU 16 -4.328 11.537 -1.987 109 HA LEU 16 HA LEU 16 -2.998 9.057 -2.911 110 1HB LEU 16 2HB LEU 16 -5.357 8.829 -2.649 111 2HB LEU 16 1HB LEU 16 -5.673 10.356 -3.469 112 HG LEU 16 HG LEU 16 -4.863 9.396 -5.589 113 1HD1 LEU 16 1HD1 LEU 16 -4.320 7.016 -3.818 114 2HD1 LEU 16 2HD1 LEU 16 -3.238 7.795 -4.967 115 3HD1 LEU 16 3HD1 LEU 16 -4.582 6.817 -5.549 116 1HD2 LEU 16 1HD2 LEU 16 -7.224 9.178 -5.176 117 2HD2 LEU 16 2HD2 LEU 16 -6.965 7.798 -4.108 118 3HD2 LEU 16 3HD2 LEU 16 -6.671 7.639 -5.840 119 H PHE 17 H PHE 17 -1.893 8.935 -4.839 120 HA PHE 17 HA PHE 17 -1.960 11.317 -6.639 121 1HB PHE 17 2HB PHE 17 0.344 9.705 -5.567 122 2HB PHE 17 1HB PHE 17 0.474 10.413 -7.175 123 HD1 PHE 17 1HD PHE 17 -0.414 11.291 -3.643 124 HD2 PHE 17 2HD PHE 17 1.099 12.664 -7.422 125 HE1 PHE 17 1HE PHE 17 0.114 13.492 -2.632 126 HE2 PHE 17 2HE PHE 17 1.627 14.866 -6.411 127 HZ PHE 17 HZ PHE 17 1.134 15.280 -4.015 128 H LEU 18 H LEU 18 -2.923 10.681 -8.491 129 HA LEU 18 HA LEU 18 -3.224 7.895 -9.212 130 1HB LEU 18 2HB LEU 18 -3.599 10.211 -11.115 131 2HB LEU 18 1HB LEU 18 -4.469 8.678 -11.067 132 HG LEU 18 HG LEU 18 -4.674 10.962 -9.089 133 1HD1 LEU 18 1HD1 LEU 18 -5.999 11.200 -11.150 134 2HD1 LEU 18 2HD1 LEU 18 -7.053 10.905 -9.768 135 3HD1 LEU 18 3HD1 LEU 18 -6.694 9.600 -10.896 136 1HD2 LEU 18 1HD2 LEU 18 -5.726 8.122 -8.964 137 2HD2 LEU 18 2HD2 LEU 18 -6.393 9.433 -7.992 138 3HD2 LEU 18 3HD2 LEU 18 -4.713 8.947 -7.780 139 H SER 19 H SER 19 -0.549 9.507 -9.003 140 HA SER 19 HA SER 19 0.524 8.992 -11.708 141 1HB SER 19 2HB SER 19 2.587 9.676 -9.837 142 2HB SER 19 1HB SER 19 1.976 10.611 -11.198 143 HG SER 19 HG SER 19 0.326 10.499 -8.981 144 HA PRO 20 HA PRO 20 1.677 4.846 -10.389 145 1HB PRO 20 2HB PRO 20 3.359 4.603 -12.703 146 2HB PRO 20 1HB PRO 20 1.756 3.914 -12.445 147 1HG PRO 20 2HG PRO 20 2.492 6.076 -14.183 148 2HG PRO 20 1HG PRO 20 0.889 5.381 -13.931 149 1HD PRO 20 2HD PRO 20 1.876 7.939 -13.056 150 2HD PRO 20 1HD PRO 20 0.252 7.241 -12.810 151 H LYS 21 H LYS 21 3.551 3.900 -9.412 152 HA LYS 21 HA LYS 21 6.201 5.062 -9.833 153 1HB LYS 21 2HB LYS 21 4.618 5.652 -7.333 154 2HB LYS 21 1HB LYS 21 6.380 5.581 -7.285 155 1HG LYS 21 2HG LYS 21 6.246 7.221 -9.328 156 2HG LYS 21 1HG LYS 21 4.605 7.519 -8.754 157 1HD LYS 21 2HD LYS 21 5.516 8.068 -6.507 158 2HD LYS 21 1HD LYS 21 7.148 7.846 -7.138 159 1HE LYS 21 2HE LYS 21 5.124 9.951 -7.911 160 2HE LYS 21 1HE LYS 21 6.753 10.186 -7.277 161 1HZ LYS 21 1HZ LYS 21 5.961 9.211 -9.956 162 2HZ LYS 21 2HZ LYS 21 7.536 9.014 -9.350 163 3HZ LYS 21 3HZ LYS 21 6.896 10.573 -9.571 164 H SER 22 H SER 22 7.630 3.386 -9.564 165 HA SER 22 HA SER 22 6.926 0.772 -8.869 166 1HB SER 22 2HB SER 22 9.573 2.185 -8.511 167 2HB SER 22 1HB SER 22 9.362 0.450 -8.314 168 HG SER 22 HG SER 22 9.920 1.569 -10.507 169 H TRP 23 H TRP 23 6.993 -0.433 -6.906 170 HA TRP 23 HA TRP 23 6.114 0.903 -4.561 171 1HB TRP 23 2HB TRP 23 5.761 -1.496 -4.823 172 2HB TRP 23 1HB TRP 23 7.501 -1.782 -4.856 173 HD1 TRP 23 HD TRP 23 4.609 -1.340 -2.525 174 HE1 TRP 23 1HE TRP 23 5.426 -1.465 -0.083 175 HE3 TRP 23 3HE TRP 23 9.659 -1.145 -3.271 176 HZ2 TRP 23 2HZ TRP 23 7.894 -1.478 1.364 177 HZ3 TRP 23 3HZ TRP 23 11.216 -1.215 -1.346 178 HH2 TRP 23 HH TRP 23 10.341 -1.380 0.968 179 H THR 24 H THR 24 9.236 0.473 -5.910 180 HA THR 24 HA THR 24 10.628 1.140 -3.387 181 HB THR 24 HB THR 24 11.481 -0.557 -5.100 182 HG1 THR 24 1HG THR 24 12.756 1.339 -3.693 183 1HG2 THR 24 1HG2 THR 24 12.230 0.112 -7.168 184 2HG2 THR 24 2HG2 THR 24 12.663 1.725 -6.605 185 3HG2 THR 24 3HG2 THR 24 10.979 1.334 -6.942 186 H ASP 25 H ASP 25 9.348 2.639 -6.167 187 HA ASP 25 HA ASP 25 11.050 5.036 -5.981 188 1HB ASP 25 2HB ASP 25 8.773 4.204 -7.781 189 2HB ASP 25 1HB ASP 25 9.358 5.867 -7.763 190 H ALA 26 H ALA 26 7.666 4.093 -5.312 191 HA ALA 26 HA ALA 26 7.006 6.764 -4.349 192 1HB ALA 26 1HB ALA 26 5.128 5.556 -5.103 193 2HB ALA 26 2HB ALA 26 5.012 5.422 -3.353 194 3HB ALA 26 3HB ALA 26 5.646 4.075 -4.301 195 H ASP 27 H ASP 27 8.227 3.747 -3.082 196 HA ASP 27 HA ASP 27 7.874 4.250 -0.302 197 1HB ASP 27 2HB ASP 27 8.518 2.059 -1.076 198 2HB ASP 27 1HB ASP 27 9.969 2.706 -1.846 199 H LEU 28 H LEU 28 10.517 5.068 -2.540 200 HA LEU 28 HA LEU 28 12.116 6.368 -0.497 201 1HB LEU 28 2HB LEU 28 12.877 5.389 -2.781 202 2HB LEU 28 1HB LEU 28 12.333 6.924 -3.454 203 HG LEU 28 HG LEU 28 13.783 7.950 -1.487 204 1HD1 LEU 28 1HD1 LEU 28 15.028 5.216 -1.929 205 2HD1 LEU 28 2HD1 LEU 28 14.340 5.817 -0.421 206 3HD1 LEU 28 3HD1 LEU 28 15.805 6.549 -1.075 207 1HD2 LEU 28 1HD2 LEU 28 15.809 7.788 -3.061 208 2HD2 LEU 28 2HD2 LEU 28 14.329 8.454 -3.751 209 3HD2 LEU 28 3HD2 LEU 28 14.788 6.784 -4.091 210 H ALA 29 H ALA 29 9.943 7.563 -3.069 211 HA ALA 29 HA ALA 29 10.360 10.347 -2.488 212 1HB ALA 29 1HB ALA 29 8.057 8.884 -3.800 213 2HB ALA 29 2HB ALA 29 9.379 9.734 -4.599 214 3HB ALA 29 3HB ALA 29 8.163 10.642 -3.700 215 H CYS 30 H CYS 30 7.645 8.169 -1.544 216 HA CYS 30 HA CYS 30 6.392 10.115 0.127 217 1HB CYS 30 2HB CYS 30 5.310 7.996 -0.649 218 2HB CYS 30 1HB CYS 30 6.351 7.100 0.454 219 H GLN 31 H GLN 31 9.252 8.245 0.482 220 HA GLN 31 HA GLN 31 9.323 8.422 3.408 221 1HB GLN 31 2HB GLN 31 10.493 6.552 2.413 222 2HB GLN 31 1HB GLN 31 11.399 7.622 1.348 223 1HG GLN 31 2HG GLN 31 12.646 8.536 3.165 224 2HG GLN 31 1HG GLN 31 11.562 7.822 4.360 225 1HE2 GLN 31 1HE2 GLN 31 11.551 5.351 4.427 226 2HE2 GLN 31 2HE2 GLN 31 12.990 4.534 4.049 227 H LYS 32 H LYS 32 10.502 10.169 0.619 228 HA LYS 32 HA LYS 32 12.338 11.885 1.949 229 1HB LYS 32 2HB LYS 32 12.452 11.820 -0.424 230 2HB LYS 32 1HB LYS 32 10.727 12.134 -0.591 231 1HG LYS 32 2HG LYS 32 10.959 14.403 0.024 232 2HG LYS 32 1HG LYS 32 12.564 14.141 0.708 233 1HD LYS 32 2HD LYS 32 12.785 15.252 -1.455 234 2HD LYS 32 1HD LYS 32 13.410 13.607 -1.579 235 1HE LYS 32 2HE LYS 32 11.453 12.838 -2.703 236 2HE LYS 32 1HE LYS 32 10.555 14.299 -2.290 237 1HZ LYS 32 1HZ LYS 32 12.893 15.034 -3.650 238 2HZ LYS 32 2HZ LYS 32 11.281 15.236 -4.142 239 3HZ LYS 32 3HZ LYS 32 12.125 13.820 -4.550 240 H ARG 33 H ARG 33 9.071 11.527 2.391 241 HA ARG 33 HA ARG 33 8.472 14.367 2.912 242 1HB ARG 33 2HB ARG 33 6.930 11.835 2.716 243 2HB ARG 33 1HB ARG 33 6.285 13.050 3.810 244 1HG ARG 33 2HG ARG 33 5.320 13.372 1.592 245 2HG ARG 33 1HG ARG 33 6.396 14.721 1.953 246 1HD ARG 33 2HD ARG 33 8.149 13.792 0.593 247 2HD ARG 33 1HD ARG 33 7.274 12.273 0.406 248 HE ARG 33 HE ARG 33 6.636 14.819 -0.972 249 1HH1 ARG 33 1HH2 ARG 33 4.407 12.832 0.132 250 2HH1 ARG 33 2HH2 ARG 33 3.982 12.058 -1.358 251 1HH2 ARG 33 1HH1 ARG 33 6.744 13.262 -3.075 252 2HH2 ARG 33 2HH1 ARG 33 5.306 12.301 -3.174 253 HA PRO 34 HA PRO 34 9.355 14.580 7.206 254 1HB PRO 34 2HB PRO 34 6.635 15.008 8.092 255 2HB PRO 34 1HB PRO 34 7.933 16.194 7.923 256 1HG PRO 34 2HG PRO 34 5.646 15.717 6.171 257 2HG PRO 34 1HG PRO 34 6.773 17.077 6.183 258 1HD PRO 34 2HD PRO 34 6.661 15.117 4.202 259 2HD PRO 34 1HD PRO 34 8.067 16.161 4.511 260 H SER 35 H SER 35 9.782 12.231 7.136 261 HA SER 35 HA SER 35 9.563 10.102 8.064 262 1HB SER 35 2HB SER 35 8.734 11.633 10.046 263 2HB SER 35 1HB SER 35 7.149 10.995 9.617 264 HG SER 35 HG SER 35 9.377 9.728 10.701 265 H GLY 36 H GLY 36 7.789 11.291 5.796 266 1HA GLY 36 2HA GLY 36 5.359 9.724 5.878 267 2HA GLY 36 1HA GLY 36 6.019 10.517 4.448 268 H ASN 37 H ASN 37 5.061 8.267 3.725 269 HA ASN 37 HA ASN 37 6.986 6.681 2.553 270 1HB ASN 37 2HB ASN 37 6.720 6.052 5.438 271 2HB ASN 37 1HB ASN 37 6.592 4.655 4.375 272 1HD2 ASN 37 1HD2 ASN 37 8.413 4.489 2.667 273 2HD2 ASN 37 2HD2 ASN 37 9.968 4.967 3.152 274 H LEU 38 H LEU 38 5.948 5.034 1.308 275 HA LEU 38 HA LEU 38 3.441 5.072 0.469 276 1HB LEU 38 2HB LEU 38 4.928 2.598 1.339 277 2HB LEU 38 1HB LEU 38 3.378 2.506 0.506 278 HG LEU 38 HG LEU 38 5.672 4.129 -0.594 279 1HD1 LEU 38 1HD1 LEU 38 6.346 1.716 -0.263 280 2HD1 LEU 38 2HD1 LEU 38 6.340 2.244 -1.945 281 3HD1 LEU 38 3HD1 LEU 38 5.012 1.264 -1.326 282 1HD2 LEU 38 1HD2 LEU 38 4.330 3.367 -2.724 283 2HD2 LEU 38 2HD2 LEU 38 3.735 4.702 -1.741 284 3HD2 LEU 38 3HD2 LEU 38 3.030 3.098 -1.569 285 H VAL 39 H VAL 39 1.364 4.810 1.149 286 HA VAL 39 HA VAL 39 0.468 5.255 3.680 287 HB VAL 39 HB VAL 39 -1.108 5.164 1.907 288 1HG1 VAL 39 1HG1 VAL 39 -0.013 3.524 0.483 289 2HG1 VAL 39 2HG1 VAL 39 -1.666 2.990 0.787 290 3HG1 VAL 39 3HG1 VAL 39 -0.325 2.247 1.657 291 1HG2 VAL 39 1HG2 VAL 39 -1.829 4.340 4.242 292 2HG2 VAL 39 2HG2 VAL 39 -1.808 2.722 3.543 293 3HG2 VAL 39 3HG2 VAL 39 -2.892 3.950 2.892 294 H SER 40 H SER 40 -0.176 4.060 5.480 295 HA SER 40 HA SER 40 1.121 1.374 5.764 296 1HB SER 40 2HB SER 40 2.023 2.446 7.566 297 2HB SER 40 1HB SER 40 0.816 3.724 7.518 298 HG SER 40 HG SER 40 -0.612 2.373 8.584 299 H VAL 41 H VAL 41 -0.177 0.056 7.609 300 HA VAL 41 HA VAL 41 -3.049 0.494 7.666 301 HB VAL 41 HB VAL 41 -2.883 -2.116 6.488 302 1HG1 VAL 41 1HG1 VAL 41 -4.809 -0.522 6.498 303 2HG1 VAL 41 2HG1 VAL 41 -4.454 -1.194 4.906 304 3HG1 VAL 41 3HG1 VAL 41 -3.954 0.450 5.299 305 1HG2 VAL 41 1HG2 VAL 41 -1.866 -1.797 4.391 306 2HG2 VAL 41 2HG2 VAL 41 -0.727 -1.033 5.494 307 3HG2 VAL 41 3HG2 VAL 41 -1.845 -0.044 4.557 308 H LEU 42 H LEU 42 -2.554 0.272 9.952 309 HA LEU 42 HA LEU 42 -1.917 -2.536 10.783 310 1HB LEU 42 2HB LEU 42 -1.403 0.091 12.186 311 2HB LEU 42 1HB LEU 42 -1.243 -1.477 12.976 312 HG LEU 42 HG LEU 42 0.169 -0.868 10.386 313 1HD1 LEU 42 1HD1 LEU 42 1.114 -0.355 13.222 314 2HD1 LEU 42 2HD1 LEU 42 0.905 0.845 11.948 315 3HD1 LEU 42 3HD1 LEU 42 2.178 -0.369 11.817 316 1HD2 LEU 42 1HD2 LEU 42 1.158 -2.685 12.557 317 2HD2 LEU 42 2HD2 LEU 42 1.383 -2.800 10.817 318 3HD2 LEU 42 3HD2 LEU 42 -0.162 -3.243 11.532 319 H SER 43 H SER 43 -4.580 -0.867 10.263 320 HA SER 43 HA SER 43 -5.922 -1.999 12.679 321 1HB SER 43 2HB SER 43 -5.510 0.518 12.887 322 2HB SER 43 1HB SER 43 -6.644 0.713 11.554 323 HG SER 43 HG SER 43 -8.206 -0.338 12.810 324 H GLY 44 H GLY 44 -8.059 -2.699 12.299 325 1HA GLY 44 2HA GLY 44 -8.661 -3.536 9.622 326 2HA GLY 44 1HA GLY 44 -9.781 -3.608 10.985 327 H ALA 45 H ALA 45 -9.311 -0.637 11.405 328 HA ALA 45 HA ALA 45 -11.445 0.250 9.586 329 1HB ALA 45 1HB ALA 45 -11.693 1.028 11.820 330 2HB ALA 45 2HB ALA 45 -11.125 2.430 10.911 331 3HB ALA 45 3HB ALA 45 -10.000 1.518 11.919 332 H GLU 46 H GLU 46 -7.984 0.682 10.020 333 HA GLU 46 HA GLU 46 -7.743 2.948 8.237 334 1HB GLU 46 2HB GLU 46 -6.013 2.371 9.924 335 2HB GLU 46 1HB GLU 46 -5.656 0.893 9.030 336 1HG GLU 46 2HG GLU 46 -4.877 2.119 7.129 337 2HG GLU 46 1HG GLU 46 -5.510 3.638 7.766 338 H GLY 47 H GLY 47 -7.503 -0.574 7.832 339 1HA GLY 47 2HA GLY 47 -6.615 -0.484 5.094 340 2HA GLY 47 1HA GLY 47 -7.397 -1.866 5.865 341 H SER 48 H SER 48 -9.763 -0.295 6.637 342 HA SER 48 HA SER 48 -11.212 -0.509 4.092 343 1HB SER 48 2HB SER 48 -12.212 0.381 6.814 344 2HB SER 48 1HB SER 48 -13.204 -0.101 5.441 345 HG SER 48 HG SER 48 -12.762 -1.748 7.098 346 H PHE 49 H PHE 49 -10.023 1.992 6.255 347 HA PHE 49 HA PHE 49 -11.465 4.178 5.032 348 1HB PHE 49 2HB PHE 49 -10.254 4.098 7.335 349 2HB PHE 49 1HB PHE 49 -8.793 4.461 6.413 350 HD1 PHE 49 1HD PHE 49 -8.412 6.641 5.481 351 HD2 PHE 49 2HD PHE 49 -12.189 5.681 7.288 352 HE1 PHE 49 1HE PHE 49 -9.051 9.036 5.419 353 HE2 PHE 49 2HE PHE 49 -12.828 8.075 7.225 354 HZ PHE 49 HZ PHE 49 -11.260 9.754 6.292 355 H VAL 50 H VAL 50 -8.207 2.798 4.577 356 HA VAL 50 HA VAL 50 -7.357 4.706 2.613 357 HB VAL 50 HB VAL 50 -6.507 1.801 2.818 358 1HG1 VAL 50 1HG1 VAL 50 -5.817 3.069 0.775 359 2HG1 VAL 50 2HG1 VAL 50 -4.452 2.587 1.781 360 3HG1 VAL 50 3HG1 VAL 50 -5.030 4.252 1.819 361 1HG2 VAL 50 1HG2 VAL 50 -6.375 3.604 4.886 362 2HG2 VAL 50 2HG2 VAL 50 -4.851 3.925 4.066 363 3HG2 VAL 50 3HG2 VAL 50 -5.213 2.300 4.644 364 H SER 51 H SER 51 -8.990 1.552 2.354 365 HA SER 51 HA SER 51 -9.028 1.333 -0.463 366 1HB SER 51 2HB SER 51 -9.841 -0.552 0.691 367 2HB SER 51 1HB SER 51 -10.907 0.415 1.706 368 HG SER 51 HG SER 51 -11.431 -0.768 -0.623 369 H SER 52 H SER 52 -11.106 3.175 1.733 370 HA SER 52 HA SER 52 -12.941 4.042 -0.338 371 1HB SER 52 2HB SER 52 -13.803 5.567 1.353 372 2HB SER 52 1HB SER 52 -13.507 4.000 2.100 373 HG SER 52 HG SER 52 -11.466 5.924 2.061 374 H LEU 53 H LEU 53 -9.824 5.090 0.783 375 HA LEU 53 HA LEU 53 -10.029 7.782 -0.329 376 1HB LEU 53 2HB LEU 53 -8.496 7.615 1.460 377 2HB LEU 53 1HB LEU 53 -7.820 6.106 0.857 378 HG LEU 53 HG LEU 53 -6.847 7.358 -1.080 379 1HD1 LEU 53 1HD1 LEU 53 -8.425 9.251 -1.113 380 2HD1 LEU 53 2HD1 LEU 53 -6.779 9.844 -0.904 381 3HD1 LEU 53 3HD1 LEU 53 -7.868 9.760 0.479 382 1HD2 LEU 53 1HD2 LEU 53 -6.035 8.616 1.550 383 2HD2 LEU 53 2HD2 LEU 53 -5.014 8.264 0.156 384 3HD2 LEU 53 3HD2 LEU 53 -5.647 6.944 1.138 385 H VAL 54 H VAL 54 -9.140 4.617 -1.463 386 HA VAL 54 HA VAL 54 -8.256 5.835 -4.052 387 HB VAL 54 HB VAL 54 -6.802 3.899 -4.360 388 1HG1 VAL 54 1HG1 VAL 54 -6.153 5.948 -2.924 389 2HG1 VAL 54 2HG1 VAL 54 -5.157 4.502 -2.767 390 3HG1 VAL 54 3HG1 VAL 54 -6.364 4.879 -1.538 391 1HG2 VAL 54 1HG2 VAL 54 -7.954 2.115 -3.285 392 2HG2 VAL 54 2HG2 VAL 54 -8.088 3.010 -1.772 393 3HG2 VAL 54 3HG2 VAL 54 -6.524 2.382 -2.288 394 H LYS 55 H LYS 55 -10.956 4.731 -2.927 395 HA LYS 55 HA LYS 55 -11.534 2.412 -4.564 396 1HB LYS 55 2HB LYS 55 -12.929 4.054 -2.632 397 2HB LYS 55 1HB LYS 55 -13.956 3.801 -4.041 398 1HG LYS 55 2HG LYS 55 -13.565 1.361 -3.878 399 2HG LYS 55 1HG LYS 55 -12.573 1.624 -2.444 400 1HD LYS 55 2HD LYS 55 -14.607 2.815 -1.438 401 2HD LYS 55 1HD LYS 55 -15.536 2.123 -2.770 402 1HE LYS 55 2HE LYS 55 -13.978 0.618 -0.653 403 2HE LYS 55 1HE LYS 55 -15.724 0.610 -0.899 404 1HZ LYS 55 1HZ LYS 55 -15.438 -1.098 -2.256 405 2HZ LYS 55 2HZ LYS 55 -13.746 -0.979 -2.148 406 3HZ LYS 55 3HZ LYS 55 -14.590 -0.087 -3.322 407 H SER 56 H SER 56 -11.596 5.862 -5.073 408 HA SER 56 HA SER 56 -12.970 5.530 -7.692 409 1HB SER 56 2HB SER 56 -12.896 8.042 -7.719 410 2HB SER 56 1HB SER 56 -13.779 7.385 -6.344 411 HG SER 56 HG SER 56 -11.435 7.496 -5.424 412 H ILE 57 H ILE 57 -10.379 4.405 -7.340 413 HA ILE 57 HA ILE 57 -8.219 5.998 -8.142 414 HB ILE 57 HB ILE 57 -7.610 3.872 -7.460 415 1HG1 ILE 57 2HG1 ILE 57 -6.665 2.656 -9.320 416 2HG1 ILE 57 1HG1 ILE 57 -7.827 3.366 -10.437 417 1HG2 ILE 57 1HG2 ILE 57 -10.016 2.958 -9.020 418 2HG2 ILE 57 2HG2 ILE 57 -9.690 2.789 -7.299 419 3HG2 ILE 57 3HG2 ILE 57 -8.804 1.807 -8.462 420 1HD1 ILE 57 1HD1 ILE 57 -5.289 4.335 -9.975 421 2HD1 ILE 57 2HD1 ILE 57 -6.263 5.359 -8.935 422 3HD1 ILE 57 3HD1 ILE 57 -6.608 5.274 -10.661 423 H GLY 58 H GLY 58 -10.179 3.902 -10.307 424 1HA GLY 58 2HA GLY 58 -11.017 5.435 -12.307 425 2HA GLY 58 1HA GLY 58 -9.283 5.572 -12.598 426 H ASN 59 H ASN 59 -11.072 4.409 -14.472 427 HA ASN 59 HA ASN 59 -11.153 1.567 -14.305 428 1HB ASN 59 2HB ASN 59 -11.331 3.491 -16.623 429 2HB ASN 59 1HB ASN 59 -11.467 1.746 -16.838 430 1HD2 ASN 59 1HD2 ASN 59 -13.123 0.734 -15.110 431 2HD2 ASN 59 2HD2 ASN 59 -14.580 1.587 -14.942 432 H SER 60 H SER 60 -8.917 3.758 -16.033 433 HA SER 60 HA SER 60 -7.230 1.639 -17.013 434 1HB SER 60 2HB SER 60 -5.575 3.496 -17.380 435 2HB SER 60 1HB SER 60 -7.162 3.816 -18.074 436 HG SER 60 HG SER 60 -7.589 5.223 -16.465 437 H TYR 61 H TYR 61 -7.877 1.861 -14.005 438 HA TYR 61 HA TYR 61 -5.228 1.024 -13.091 439 1HB TYR 61 2HB TYR 61 -6.519 3.546 -12.073 440 2HB TYR 61 1HB TYR 61 -5.245 2.690 -11.204 441 HD1 TYR 61 1HD TYR 61 -5.878 5.274 -13.486 442 HD2 TYR 61 2HD TYR 61 -3.154 2.028 -12.770 443 HE1 TYR 61 1HE TYR 61 -4.173 6.389 -14.904 444 HE2 TYR 61 2HE TYR 61 -1.453 3.143 -14.187 445 HH TYR 61 HH TYR 61 -1.029 4.843 -15.556 446 H SER 62 H SER 62 -5.696 -0.742 -11.888 447 HA SER 62 HA SER 62 -8.248 -0.746 -10.314 448 1HB SER 62 2HB SER 62 -6.984 -2.741 -12.089 449 2HB SER 62 1HB SER 62 -7.595 -3.389 -10.571 450 HG SER 62 HG SER 62 -8.936 -2.268 -12.725 451 H TYR 63 H TYR 63 -4.799 -1.557 -10.291 452 HA TYR 63 HA TYR 63 -5.080 -2.300 -7.417 453 1HB TYR 63 2HB TYR 63 -2.937 -2.810 -9.469 454 2HB TYR 63 1HB TYR 63 -2.644 -3.044 -7.745 455 HD1 TYR 63 1HD TYR 63 -5.278 -3.854 -10.304 456 HD2 TYR 63 2HD TYR 63 -3.050 -5.169 -6.877 457 HE1 TYR 63 1HE TYR 63 -6.416 -6.051 -10.405 458 HE2 TYR 63 2HE TYR 63 -4.183 -7.371 -6.985 459 HH TYR 63 HH TYR 63 -5.421 -8.693 -9.209 460 H VAL 64 H VAL 64 -3.364 -1.510 -5.937 461 HA VAL 64 HA VAL 64 -2.218 1.137 -6.706 462 HB VAL 64 HB VAL 64 -3.922 0.589 -4.249 463 1HG1 VAL 64 1HG1 VAL 64 -2.921 3.280 -5.151 464 2HG1 VAL 64 2HG1 VAL 64 -1.959 2.260 -4.077 465 3HG1 VAL 64 3HG1 VAL 64 -3.555 2.810 -3.576 466 1HG2 VAL 64 1HG2 VAL 64 -5.432 2.293 -5.328 467 2HG2 VAL 64 2HG2 VAL 64 -5.320 0.771 -6.209 468 3HG2 VAL 64 3HG2 VAL 64 -4.428 2.183 -6.773 469 H TRP 65 H TRP 65 -0.248 1.567 -5.641 470 HA TRP 65 HA TRP 65 1.005 -0.726 -4.325 471 1HB TRP 65 2HB TRP 65 1.889 1.865 -5.434 472 2HB TRP 65 1HB TRP 65 2.805 1.330 -4.035 473 HD1 TRP 65 HD TRP 65 3.632 1.498 -7.225 474 HE1 TRP 65 1HE TRP 65 4.811 -0.551 -8.233 475 HE3 TRP 65 3HE TRP 65 2.243 -2.086 -3.843 476 HZ2 TRP 65 2HZ TRP 65 5.094 -3.329 -7.706 477 HZ3 TRP 65 3HZ TRP 65 2.985 -4.425 -4.141 478 HH2 TRP 65 HH TRP 65 4.412 -5.052 -6.062 479 H ILE 66 H ILE 66 1.737 -0.780 -2.142 480 HA ILE 66 HA ILE 66 0.984 1.538 -0.426 481 HB ILE 66 HB ILE 66 0.250 -0.165 1.340 482 1HG1 ILE 66 2HG1 ILE 66 0.100 -1.949 -1.106 483 2HG1 ILE 66 1HG1 ILE 66 1.202 -2.161 0.252 484 1HG2 ILE 66 1HG2 ILE 66 -1.184 0.949 -0.908 485 2HG2 ILE 66 2HG2 ILE 66 -1.767 0.648 0.726 486 3HG2 ILE 66 3HG2 ILE 66 -1.883 -0.615 -0.496 487 1HD1 ILE 66 1HD1 ILE 66 -0.898 -2.223 1.735 488 2HD1 ILE 66 2HD1 ILE 66 -0.618 -3.629 0.707 489 3HD1 ILE 66 3HD1 ILE 66 -1.811 -2.417 0.239 490 H GLY 67 H GLY 67 2.013 0.920 1.915 491 1HA GLY 67 2HA GLY 67 4.837 0.402 1.332 492 2HA GLY 67 1HA GLY 67 4.189 1.027 2.846 493 H LEU 68 H LEU 68 3.853 -1.967 0.915 494 HA LEU 68 HA LEU 68 4.489 -3.478 3.412 495 1HB LEU 68 2HB LEU 68 1.961 -3.431 2.539 496 2HB LEU 68 1HB LEU 68 2.574 -4.672 1.455 497 HG LEU 68 HG LEU 68 1.761 -5.830 3.381 498 1HD1 LEU 68 1HD1 LEU 68 4.708 -5.595 3.977 499 2HD1 LEU 68 2HD1 LEU 68 4.126 -6.397 2.518 500 3HD1 LEU 68 3HD1 LEU 68 3.673 -7.011 4.105 501 1HD2 LEU 68 1HD2 LEU 68 2.339 -3.470 4.753 502 2HD2 LEU 68 2HD2 LEU 68 3.469 -4.640 5.434 503 3HD2 LEU 68 3HD2 LEU 68 1.738 -4.968 5.463 504 H HIS 69 H HIS 69 6.089 -4.980 3.090 505 HA HIS 69 HA HIS 69 6.537 -6.011 0.342 506 1HB HIS 69 2HB HIS 69 8.874 -5.457 0.337 507 2HB HIS 69 1HB HIS 69 7.998 -3.973 0.719 508 HD1 HIS 69 1HD HIS 69 10.704 -6.037 1.947 509 HD2 HIS 69 2HD HIS 69 7.807 -3.622 3.697 510 HE1 HIS 69 1HE HIS 69 11.486 -5.580 4.314 511 H ASP 70 H ASP 70 8.521 -7.596 0.539 512 HA ASP 70 HA ASP 70 7.821 -9.467 2.736 513 1HB ASP 70 2HB ASP 70 9.337 -9.839 0.144 514 2HB ASP 70 1HB ASP 70 9.137 -11.110 1.350 515 HA PRO 71 HA PRO 71 11.691 -7.883 4.541 516 1HB PRO 71 2HB PRO 71 11.358 -9.738 6.716 517 2HB PRO 71 1HB PRO 71 11.104 -7.992 6.722 518 1HG PRO 71 2HG PRO 71 9.124 -10.044 6.856 519 2HG PRO 71 1HG PRO 71 8.870 -8.300 6.808 520 1HD PRO 71 2HD PRO 71 8.361 -10.238 4.718 521 2HD PRO 71 1HD PRO 71 8.035 -8.485 4.702 522 H THR 72 H THR 72 10.889 -11.006 3.442 523 HA THR 72 HA THR 72 13.566 -12.131 4.067 524 HB THR 72 HB THR 72 12.679 -14.233 3.488 525 HG1 THR 72 1HG THR 72 11.379 -12.778 1.662 526 1HG2 THR 72 1HG2 THR 72 10.730 -14.442 4.808 527 2HG2 THR 72 2HG2 THR 72 10.164 -12.829 4.378 528 3HG2 THR 72 3HG2 THR 72 11.542 -13.018 5.462 529 H GLN 73 H GLN 73 12.252 -10.198 1.713 530 HA GLN 73 HA GLN 73 12.868 -9.707 -0.501 531 1HB GLN 73 2HB GLN 73 15.401 -10.921 0.623 532 2HB GLN 73 1HB GLN 73 15.319 -10.236 -1.000 533 1HG GLN 73 2HG GLN 73 14.813 -8.064 -0.173 534 2HG GLN 73 1HG GLN 73 14.441 -8.679 1.437 535 1HE2 GLN 73 1HE2 GLN 73 17.182 -10.202 0.010 536 2HE2 GLN 73 2HE2 GLN 73 18.378 -9.331 0.841 537 H GLY 74 H GLY 74 11.257 -11.439 -1.124 538 1HA GLY 74 2HA GLY 74 10.676 -13.407 -2.280 539 2HA GLY 74 1HA GLY 74 12.122 -13.042 -3.223 540 H THR 75 H THR 75 11.847 -13.981 0.202 541 HA THR 75 HA THR 75 13.149 -16.578 -0.423 542 HB THR 75 HB THR 75 14.252 -14.941 1.845 543 HG1 THR 75 1HG THR 75 14.613 -13.517 0.274 544 1HG2 THR 75 1HG2 THR 75 16.230 -16.279 1.423 545 2HG2 THR 75 2HG2 THR 75 15.527 -16.917 -0.064 546 3HG2 THR 75 3HG2 THR 75 14.834 -17.355 1.497 547 H GLU 76 H GLU 76 10.583 -16.562 0.227 548 HA GLU 76 HA GLU 76 10.536 -17.328 3.120 549 1HB GLU 76 2HB GLU 76 7.988 -16.559 2.796 550 2HB GLU 76 1HB GLU 76 9.245 -15.421 3.282 551 1HG GLU 76 2HG GLU 76 7.817 -14.590 1.391 552 2HG GLU 76 1HG GLU 76 9.534 -14.670 0.995 553 HA PRO 77 HA PRO 77 9.127 -20.792 0.327 554 1HB PRO 77 2HB PRO 77 10.364 -22.589 2.210 555 2HB PRO 77 1HB PRO 77 10.845 -22.248 0.546 556 1HG PRO 77 2HG PRO 77 12.195 -21.469 2.933 557 2HG PRO 77 1HG PRO 77 12.619 -21.045 1.272 558 1HD PRO 77 2HD PRO 77 11.468 -19.344 3.332 559 2HD PRO 77 1HD PRO 77 12.023 -18.886 1.704 560 H ASN 78 H ASN 78 7.997 -19.422 2.917 561 HA ASN 78 HA ASN 78 6.021 -21.567 3.464 562 1HB ASN 78 2HB ASN 78 6.221 -20.780 5.968 563 2HB ASN 78 1HB ASN 78 7.365 -21.968 5.342 564 1HD2 ASN 78 1HD2 ASN 78 9.446 -21.465 6.027 565 2HD2 ASN 78 2HD2 ASN 78 10.081 -19.896 6.151 566 H GLY 79 H GLY 79 7.017 -18.192 4.008 567 1HA GLY 79 2HA GLY 79 5.624 -16.306 3.432 568 2HA GLY 79 1HA GLY 79 4.209 -17.359 3.503 569 H GLU 80 H GLU 80 6.530 -15.549 5.436 570 HA GLU 80 HA GLU 80 4.547 -15.227 7.550 571 1HB GLU 80 2HB GLU 80 5.818 -16.316 9.320 572 2HB GLU 80 1HB GLU 80 5.500 -17.482 8.038 573 1HG GLU 80 2HG GLU 80 7.728 -17.886 8.006 574 2HG GLU 80 1HG GLU 80 7.914 -16.297 7.268 575 H GLY 81 H GLY 81 5.692 -13.258 6.047 576 1HA GLY 81 2HA GLY 81 7.453 -11.901 8.036 577 2HA GLY 81 1HA GLY 81 7.931 -11.927 6.338 578 H TRP 82 H TRP 82 6.562 -10.828 4.797 579 HA TRP 82 HA TRP 82 5.558 -8.771 4.194 580 1HB TRP 82 2HB TRP 82 3.117 -8.903 5.502 581 2HB TRP 82 1HB TRP 82 3.495 -9.682 3.967 582 HD1 TRP 82 HD TRP 82 4.791 -12.206 4.349 583 HE1 TRP 82 1HE TRP 82 4.028 -14.084 5.943 584 HE3 TRP 82 3HE TRP 82 1.878 -9.507 7.559 585 HZ2 TRP 82 2HZ TRP 82 2.396 -14.398 8.272 586 HZ3 TRP 82 3HZ TRP 82 0.732 -10.619 9.453 587 HH2 TRP 82 HH TRP 82 0.987 -13.059 9.813 588 H GLU 83 H GLU 83 6.749 -7.094 5.197 589 HA GLU 83 HA GLU 83 5.671 -6.181 7.847 590 1HB GLU 83 2HB GLU 83 7.957 -6.772 8.199 591 2HB GLU 83 1HB GLU 83 8.461 -6.020 6.685 592 1HG GLU 83 2HG GLU 83 8.127 -3.829 7.537 593 2HG GLU 83 1HG GLU 83 7.188 -4.419 8.906 594 H TRP 84 H TRP 84 5.090 -3.985 7.980 595 HA TRP 84 HA TRP 84 4.640 -2.651 5.443 596 1HB TRP 84 2HB TRP 84 4.222 -1.103 7.920 597 2HB TRP 84 1HB TRP 84 3.121 -1.390 6.574 598 HD1 TRP 84 HD TRP 84 4.591 -3.350 9.571 599 HE1 TRP 84 1HE TRP 84 2.799 -5.004 10.400 600 HE3 TRP 84 3HE TRP 84 0.914 -2.454 6.148 601 HZ2 TRP 84 2HZ TRP 84 0.153 -5.837 9.703 602 HZ3 TRP 84 3HZ TRP 84 -1.229 -3.692 6.251 603 HH2 TRP 84 HH TRP 84 -1.614 -5.379 8.025 604 H SER 85 H SER 85 5.957 -1.147 4.548 605 HA SER 85 HA SER 85 8.428 -0.459 5.969 606 1HB SER 85 2HB SER 85 9.031 0.695 3.859 607 2HB SER 85 1HB SER 85 8.518 -0.962 3.558 608 HG SER 85 HG SER 85 6.398 -0.060 3.145 609 H SER 86 H SER 86 5.379 0.648 6.135 610 HA SER 86 HA SER 86 6.300 3.373 6.898 611 1HB SER 86 2HB SER 86 3.611 3.078 5.628 612 2HB SER 86 1HB SER 86 4.713 4.451 5.610 613 HG SER 86 HG SER 86 4.386 2.680 3.734 614 H SER 87 H SER 87 4.971 0.561 8.009 615 HA SER 87 HA SER 87 3.176 2.106 9.871 616 1HB SER 87 2HB SER 87 2.713 -0.808 9.593 617 2HB SER 87 1HB SER 87 1.566 0.517 9.747 618 HG SER 87 HG SER 87 1.464 -0.311 7.668 619 H ASP 88 H ASP 88 5.108 -0.921 9.752 620 HA ASP 88 HA ASP 88 6.923 -0.636 11.715 621 1HB ASP 88 2HB ASP 88 5.374 0.375 13.288 622 2HB ASP 88 1HB ASP 88 4.239 -0.963 13.102 623 H VAL 89 H VAL 89 4.842 -2.809 13.239 624 HA VAL 89 HA VAL 89 6.082 -5.092 11.756 625 HB VAL 89 HB VAL 89 6.654 -4.858 14.185 626 1HG1 VAL 89 1HG1 VAL 89 4.331 -3.913 14.728 627 2HG1 VAL 89 2HG1 VAL 89 4.987 -5.088 15.869 628 3HG1 VAL 89 3HG1 VAL 89 3.764 -5.583 14.698 629 1HG2 VAL 89 1HG2 VAL 89 6.376 -7.099 12.877 630 2HG2 VAL 89 2HG2 VAL 89 4.903 -7.290 13.827 631 3HG2 VAL 89 3HG2 VAL 89 6.463 -7.164 14.638 632 H MET 90 H MET 90 4.629 -7.131 11.918 633 HA MET 90 HA MET 90 2.165 -6.592 10.569 634 1HB MET 90 2HB MET 90 3.012 -9.122 12.006 635 2HB MET 90 1HB MET 90 1.745 -8.996 10.788 636 1HG MET 90 2HG MET 90 3.318 -8.433 9.076 637 2HG MET 90 1HG MET 90 4.611 -8.193 10.250 638 1HE MET 90 1HE MET 90 4.316 -11.044 12.214 639 2HE MET 90 2HE MET 90 5.397 -9.721 11.782 640 3HE MET 90 3HE MET 90 5.839 -11.377 11.380 641 H ASN 91 H ASN 91 0.993 -5.126 11.997 642 HA ASN 91 HA ASN 91 -0.036 -6.417 14.493 643 1HB ASN 91 2HB ASN 91 1.017 -3.999 14.416 644 2HB ASN 91 1HB ASN 91 -0.560 -3.544 13.770 645 1HD2 ASN 91 1HD2 ASN 91 0.946 -5.225 16.571 646 2HD2 ASN 91 2HD2 ASN 91 -0.302 -4.848 17.659 647 H TYR 92 H TYR 92 -0.757 -6.013 11.293 648 HA TYR 92 HA TYR 92 -3.615 -6.526 11.813 649 1HB TYR 92 2HB TYR 92 -3.494 -4.111 11.398 650 2HB TYR 92 1HB TYR 92 -2.635 -4.410 9.887 651 HD1 TYR 92 1HD TYR 92 -5.698 -5.841 11.553 652 HD2 TYR 92 2HD TYR 92 -3.974 -4.123 8.010 653 HE1 TYR 92 1HE TYR 92 -7.855 -6.120 10.367 654 HE2 TYR 92 2HE TYR 92 -6.135 -4.405 6.827 655 HH TYR 92 HH TYR 92 -8.145 -5.612 6.935 656 H PHE 93 H PHE 93 -4.637 -7.698 10.054 657 HA PHE 93 HA PHE 93 -2.776 -8.626 7.906 658 1HB PHE 93 2HB PHE 93 -4.181 -10.902 8.372 659 2HB PHE 93 1HB PHE 93 -2.625 -10.560 9.129 660 HD1 PHE 93 1HD PHE 93 -2.447 -10.431 11.469 661 HD2 PHE 93 2HD PHE 93 -6.306 -10.076 9.614 662 HE1 PHE 93 1HE PHE 93 -3.524 -10.459 13.702 663 HE2 PHE 93 2HE PHE 93 -7.382 -10.105 11.848 664 HZ PHE 93 HZ PHE 93 -5.992 -10.297 13.892 665 H ALA 94 H ALA 94 -3.777 -8.985 5.917 666 HA ALA 94 HA ALA 94 -6.611 -9.320 5.580 667 1HB ALA 94 1HB ALA 94 -6.147 -6.770 6.256 668 2HB ALA 94 2HB ALA 94 -7.381 -7.203 5.072 669 3HB ALA 94 3HB ALA 94 -5.800 -6.640 4.532 670 H TRP 95 H TRP 95 -3.884 -10.183 4.583 671 HA TRP 95 HA TRP 95 -3.684 -9.369 1.817 672 1HB TRP 95 2HB TRP 95 -2.330 -11.666 1.778 673 2HB TRP 95 1HB TRP 95 -1.666 -10.237 2.569 674 HD1 TRP 95 HD TRP 95 -1.222 -10.362 5.094 675 HE1 TRP 95 1HE TRP 95 -1.632 -12.134 6.922 676 HE3 TRP 95 3HE TRP 95 -4.112 -13.671 2.487 677 HZ2 TRP 95 2HZ TRP 95 -3.003 -14.624 7.237 678 HZ3 TRP 95 3HZ TRP 95 -4.956 -15.732 3.576 679 HH2 TRP 95 HH TRP 95 -4.405 -16.212 5.946 680 H GLU 96 H GLU 96 -4.180 -10.725 -0.050 681 HA GLU 96 HA GLU 96 -6.775 -11.979 0.132 682 1HB GLU 96 2HB GLU 96 -5.688 -10.822 -1.910 683 2HB GLU 96 1HB GLU 96 -4.840 -12.348 -2.159 684 1HG GLU 96 2HG GLU 96 -7.028 -13.530 -2.198 685 2HG GLU 96 1HG GLU 96 -7.847 -11.977 -2.031 686 H ARG 97 H ARG 97 -3.523 -13.313 -0.559 687 HA ARG 97 HA ARG 97 -4.346 -15.835 0.775 688 1HB ARG 97 2HB ARG 97 -3.363 -15.607 -2.081 689 2HB ARG 97 1HB ARG 97 -3.294 -17.113 -1.166 690 1HG ARG 97 2HG ARG 97 -5.732 -17.013 -0.805 691 2HG ARG 97 1HG ARG 97 -5.806 -15.507 -1.721 692 1HD ARG 97 2HD ARG 97 -4.724 -16.794 -3.650 693 2HD ARG 97 1HD ARG 97 -5.076 -18.259 -2.734 694 HE ARG 97 HE ARG 97 -7.474 -16.749 -2.897 695 1HH1 ARG 97 1HH2 ARG 97 -6.311 -19.568 -3.990 696 2HH1 ARG 97 2HH2 ARG 97 -7.013 -19.513 -5.572 697 1HH2 ARG 97 1HH1 ARG 97 -7.929 -16.177 -5.339 698 2HH2 ARG 97 2HH1 ARG 97 -7.929 -17.593 -6.336 699 H ASN 98 H ASN 98 -2.512 -17.059 1.528 700 HA ASN 98 HA ASN 98 -0.237 -15.439 2.219 701 1HB ASN 98 2HB ASN 98 -0.839 -18.386 2.487 702 2HB ASN 98 1HB ASN 98 0.699 -17.699 3.009 703 1HD2 ASN 98 1HD2 ASN 98 -1.639 -15.313 3.377 704 2HD2 ASN 98 2HD2 ASN 98 -2.019 -15.566 5.011 705 HA PRO 99 HA PRO 99 2.217 -15.958 -1.453 706 1HB PRO 99 2HB PRO 99 4.684 -16.173 0.020 707 2HB PRO 99 1HB PRO 99 4.045 -14.771 -0.843 708 1HG PRO 99 2HG PRO 99 4.192 -15.201 2.007 709 2HG PRO 99 1HG PRO 99 3.651 -13.761 1.140 710 1HD PRO 99 2HD PRO 99 2.028 -15.587 2.618 711 2HD PRO 99 1HD PRO 99 1.471 -14.236 1.598 712 H SER 100 H SER 100 2.119 -18.257 1.091 713 HA SER 100 HA SER 100 3.922 -20.204 -0.102 714 1HB SER 100 2HB SER 100 3.692 -21.088 1.964 715 2HB SER 100 1HB SER 100 2.404 -19.942 2.324 716 HG SER 100 HG SER 100 1.030 -21.445 1.087 717 H THR 101 H THR 101 0.943 -19.057 -1.043 718 HA THR 101 HA THR 101 0.334 -21.610 -2.490 719 HB THR 101 HB THR 101 -2.057 -21.069 -2.304 720 HG1 THR 101 1HG THR 101 -1.406 -18.715 -2.012 721 1HG2 THR 101 1HG2 THR 101 -2.313 -21.458 0.112 722 2HG2 THR 101 2HG2 THR 101 -0.635 -20.979 0.372 723 3HG2 THR 101 3HG2 THR 101 -1.003 -22.443 -0.543 724 H ILE 102 H ILE 102 1.846 -19.080 -3.229 725 HA ILE 102 HA ILE 102 0.231 -18.443 -5.672 726 HB ILE 102 HB ILE 102 1.862 -16.544 -3.959 727 1HG1 ILE 102 2HG1 ILE 102 -1.042 -16.426 -4.825 728 2HG1 ILE 102 1HG1 ILE 102 -0.518 -17.108 -3.286 729 1HG2 ILE 102 1HG2 ILE 102 0.674 -16.240 -6.726 730 2HG2 ILE 102 2HG2 ILE 102 2.340 -15.947 -6.223 731 3HG2 ILE 102 3HG2 ILE 102 1.057 -14.854 -5.705 732 1HD1 ILE 102 1HD1 ILE 102 0.641 -14.905 -2.816 733 2HD1 ILE 102 2HD1 ILE 102 -1.120 -14.814 -2.871 734 3HD1 ILE 102 3HD1 ILE 102 -0.164 -14.256 -4.245 735 H SER 103 H SER 103 1.461 -18.178 -7.587 736 HA SER 103 HA SER 103 3.924 -19.679 -7.691 737 1HB SER 103 2HB SER 103 2.726 -17.828 -9.772 738 2HB SER 103 1HB SER 103 3.966 -19.044 -10.060 739 HG SER 103 HG SER 103 1.815 -19.757 -10.553 740 H SER 104 H SER 104 5.687 -18.809 -6.671 741 HA SER 104 HA SER 104 7.293 -17.208 -6.022 742 1HB SER 104 2HB SER 104 8.089 -15.837 -8.027 743 2HB SER 104 1HB SER 104 8.128 -17.587 -8.221 744 HG SER 104 HG SER 104 6.314 -17.489 -9.453 745 HA PRO 105 HA PRO 105 4.175 -13.854 -5.350 746 1HB PRO 105 2HB PRO 105 5.226 -13.614 -2.678 747 2HB PRO 105 1HB PRO 105 3.652 -14.237 -3.180 748 1HG PRO 105 2HG PRO 105 5.789 -15.731 -2.083 749 2HG PRO 105 1HG PRO 105 4.301 -16.370 -2.789 750 1HD PRO 105 2HD PRO 105 7.019 -16.364 -3.909 751 2HD PRO 105 1HD PRO 105 5.590 -17.287 -4.439 752 H GLY 106 H GLY 106 4.618 -11.665 -5.615 753 1HA GLY 106 2HA GLY 106 7.323 -10.798 -6.050 754 2HA GLY 106 1HA GLY 106 5.916 -9.736 -5.958 755 H HIS 107 H HIS 107 8.300 -8.907 -4.793 756 HA HIS 107 HA HIS 107 8.066 -9.511 -1.897 757 1HB HIS 107 2HB HIS 107 10.057 -7.564 -3.022 758 2HB HIS 107 1HB HIS 107 10.224 -8.667 -1.657 759 HD1 HIS 107 1HD HIS 107 11.898 -8.370 -4.552 760 HD2 HIS 107 2HD HIS 107 9.504 -11.491 -3.211 761 HE1 HIS 107 1HE HIS 107 12.605 -10.437 -5.826 762 H CYS 108 H CYS 108 6.036 -7.918 -3.414 763 HA CYS 108 HA CYS 108 5.931 -5.653 -1.529 764 1HB CYS 108 2HB CYS 108 6.091 -5.334 -4.523 765 2HB CYS 108 1HB CYS 108 5.344 -4.110 -3.497 766 H ALA 109 H ALA 109 3.758 -4.836 -1.286 767 HA ALA 109 HA ALA 109 1.689 -6.588 -2.562 768 1HB ALA 109 1HB ALA 109 0.987 -5.265 -0.010 769 2HB ALA 109 2HB ALA 109 2.256 -6.487 0.104 770 3HB ALA 109 3HB ALA 109 0.676 -6.914 -0.550 771 H SER 110 H SER 110 -0.238 -5.640 -3.199 772 HA SER 110 HA SER 110 -0.473 -2.675 -3.070 773 1HB SER 110 2HB SER 110 -1.367 -3.037 -5.562 774 2HB SER 110 1HB SER 110 0.344 -2.771 -5.241 775 HG SER 110 HG SER 110 0.734 -4.896 -5.498 776 H LEU 111 H LEU 111 -2.768 -2.019 -3.662 777 HA LEU 111 HA LEU 111 -4.653 -3.952 -2.476 778 1HB LEU 111 2HB LEU 111 -5.058 -1.124 -3.500 779 2HB LEU 111 1HB LEU 111 -6.280 -2.076 -2.669 780 HG LEU 111 HG LEU 111 -3.769 -2.015 -1.168 781 1HD1 LEU 111 1HD1 LEU 111 -3.401 0.182 -2.038 782 2HD1 LEU 111 2HD1 LEU 111 -4.128 0.409 -0.448 783 3HD1 LEU 111 3HD1 LEU 111 -5.109 0.597 -1.901 784 1HD2 LEU 111 1HD2 LEU 111 -5.302 -1.348 0.640 785 2HD2 LEU 111 2HD2 LEU 111 -5.972 -2.702 -0.269 786 3HD2 LEU 111 3HD2 LEU 111 -6.583 -1.069 -0.539 787 H SER 112 H SER 112 -6.489 -4.761 -3.632 788 HA SER 112 HA SER 112 -6.180 -4.680 -6.614 789 1HB SER 112 2HB SER 112 -5.872 -6.904 -5.486 790 2HB SER 112 1HB SER 112 -7.534 -6.796 -4.917 791 HG SER 112 HG SER 112 -7.002 -7.911 -7.033 792 H ARG 113 H ARG 113 -7.741 -3.491 -7.615 793 HA ARG 113 HA ARG 113 -10.047 -2.449 -6.314 794 1HB ARG 113 2HB ARG 113 -9.326 -1.403 -8.347 795 2HB ARG 113 1HB ARG 113 -9.436 -2.917 -9.243 796 1HG ARG 113 2HG ARG 113 -11.836 -2.915 -9.110 797 2HG ARG 113 1HG ARG 113 -11.828 -1.585 -7.950 798 1HD ARG 113 2HD ARG 113 -10.814 -0.117 -9.684 799 2HD ARG 113 1HD ARG 113 -10.917 -1.445 -10.839 800 HE ARG 113 HE ARG 113 -13.267 -1.101 -10.971 801 1HH1 ARG 113 1HH2 ARG 113 -11.820 1.567 -9.677 802 2HH1 ARG 113 2HH2 ARG 113 -13.202 2.146 -8.806 803 1HH2 ARG 113 1HH1 ARG 113 -15.057 -0.740 -9.304 804 2HH2 ARG 113 2HH1 ARG 113 -15.034 0.840 -8.595 805 H SER 114 H SER 114 -9.577 -5.443 -8.145 806 HA SER 114 HA SER 114 -12.276 -6.234 -8.429 807 1HB SER 114 2HB SER 114 -11.454 -8.429 -8.796 808 2HB SER 114 1HB SER 114 -10.149 -7.372 -9.329 809 HG SER 114 HG SER 114 -10.029 -9.260 -7.524 810 H THR 115 H THR 115 -10.172 -6.313 -5.612 811 HA THR 115 HA THR 115 -12.274 -7.745 -4.058 812 HB THR 115 HB THR 115 -10.571 -8.045 -2.355 813 HG1 THR 115 1HG THR 115 -9.281 -6.107 -3.900 814 1HG2 THR 115 1HG2 THR 115 -10.564 -9.456 -4.497 815 2HG2 THR 115 2HG2 THR 115 -9.084 -9.469 -3.539 816 3HG2 THR 115 3HG2 THR 115 -9.180 -8.484 -4.999 817 H ALA 116 H ALA 116 -12.453 -4.903 -4.977 818 HA ALA 116 HA ALA 116 -13.150 -2.845 -4.093 819 1HB ALA 116 1HB ALA 116 -14.623 -4.527 -2.799 820 2HB ALA 116 2HB ALA 116 -14.434 -2.919 -2.101 821 3HB ALA 116 3HB ALA 116 -13.509 -4.275 -1.455 822 H PHE 117 H PHE 117 -10.311 -3.797 -3.822 823 HA PHE 117 HA PHE 117 -8.323 -3.012 -2.874 824 1HB PHE 117 2HB PHE 117 -9.985 -0.742 -1.761 825 2HB PHE 117 1HB PHE 117 -8.271 -0.727 -2.169 826 HD1 PHE 117 1HD PHE 117 -7.539 -0.771 -4.539 827 HD2 PHE 117 2HD PHE 117 -11.686 -0.490 -3.457 828 HE1 PHE 117 1HE PHE 117 -8.092 -0.040 -6.844 829 HE2 PHE 117 2HE PHE 117 -12.238 0.237 -5.762 830 HZ PHE 117 HZ PHE 117 -10.441 0.464 -7.454 831 H LEU 118 H LEU 118 -10.220 -4.733 -1.310 832 HA LEU 118 HA LEU 118 -9.475 -3.908 1.466 833 1HB LEU 118 2HB LEU 118 -11.583 -5.814 0.415 834 2HB LEU 118 1HB LEU 118 -11.195 -5.642 2.125 835 HG LEU 118 HG LEU 118 -12.113 -3.389 0.313 836 1HD1 LEU 118 1HD1 LEU 118 -13.889 -5.049 0.760 837 2HD1 LEU 118 2HD1 LEU 118 -14.219 -3.523 1.582 838 3HD1 LEU 118 3HD1 LEU 118 -13.590 -4.897 2.491 839 1HD2 LEU 118 1HD2 LEU 118 -12.514 -2.458 2.796 840 2HD2 LEU 118 2HD2 LEU 118 -10.967 -2.256 1.976 841 3HD2 LEU 118 3HD2 LEU 118 -11.178 -3.551 3.154 842 H ARG 119 H ARG 119 -8.297 -5.775 -0.965 843 HA ARG 119 HA ARG 119 -7.052 -7.684 0.975 844 1HB ARG 119 2HB ARG 119 -7.907 -8.346 -1.860 845 2HB ARG 119 1HB ARG 119 -7.153 -9.451 -0.712 846 1HG ARG 119 2HG ARG 119 -9.780 -8.049 -0.163 847 2HG ARG 119 1HG ARG 119 -9.683 -9.646 -0.903 848 1HD ARG 119 2HD ARG 119 -8.205 -10.276 1.133 849 2HD ARG 119 1HD ARG 119 -8.855 -8.813 1.874 850 HE ARG 119 HE ARG 119 -10.900 -10.602 0.780 851 1HH1 ARG 119 1HH2 ARG 119 -11.015 -8.680 3.191 852 2HH1 ARG 119 2HH2 ARG 119 -11.152 -9.814 4.493 853 1HH2 ARG 119 1HH1 ARG 119 -10.180 -12.534 2.575 854 2HH2 ARG 119 2HH1 ARG 119 -10.681 -11.997 4.144 855 H TRP 120 H TRP 120 -4.842 -7.978 0.676 856 HA TRP 120 HA TRP 120 -3.560 -6.130 -1.263 857 1HB TRP 120 2HB TRP 120 -2.214 -7.828 0.849 858 2HB TRP 120 1HB TRP 120 -1.557 -6.415 0.026 859 HD1 TRP 120 HD TRP 120 -3.831 -4.357 0.292 860 HE1 TRP 120 1HE TRP 120 -4.530 -3.432 2.595 861 HE3 TRP 120 3HE TRP 120 -2.033 -8.059 3.308 862 HZ2 TRP 120 2HZ TRP 120 -4.348 -4.169 5.356 863 HZ3 TRP 120 3HZ TRP 120 -2.307 -7.927 5.764 864 HH2 TRP 120 HH TRP 120 -3.463 -5.993 6.793 865 H LYS 121 H LYS 121 -2.433 -6.848 -3.028 866 HA LYS 121 HA LYS 121 -2.083 -9.809 -3.332 867 1HB LYS 121 2HB LYS 121 -3.772 -8.574 -4.873 868 2HB LYS 121 1HB LYS 121 -2.341 -7.890 -5.647 869 1HG LYS 121 2HG LYS 121 -1.506 -10.093 -6.200 870 2HG LYS 121 1HG LYS 121 -2.777 -10.865 -5.253 871 1HD LYS 121 2HD LYS 121 -4.444 -9.687 -6.800 872 2HD LYS 121 1HD LYS 121 -3.064 -9.322 -7.835 873 1HE LYS 121 2HE LYS 121 -3.946 -12.090 -6.967 874 2HE LYS 121 1HE LYS 121 -4.155 -11.397 -8.575 875 1HZ LYS 121 1HZ LYS 121 -2.033 -11.781 -9.097 876 2HZ LYS 121 2HZ LYS 121 -2.032 -12.858 -7.781 877 3HZ LYS 121 3HZ LYS 121 -1.453 -11.273 -7.586 878 H ASP 122 H ASP 122 -0.127 -10.514 -4.262 879 HA ASP 122 HA ASP 122 2.116 -8.776 -3.705 880 1HB ASP 122 2HB ASP 122 1.954 -11.512 -4.991 881 2HB ASP 122 1HB ASP 122 3.469 -10.695 -4.607 882 H TYR 123 H TYR 123 3.647 -7.946 -5.239 883 HA TYR 123 HA TYR 123 3.077 -8.208 -8.110 884 1HB TYR 123 2HB TYR 123 2.261 -5.847 -6.522 885 2HB TYR 123 1HB TYR 123 3.180 -5.463 -7.977 886 HD1 TYR 123 1HD TYR 123 0.065 -6.878 -6.649 887 HD2 TYR 123 2HD TYR 123 2.343 -6.093 -10.205 888 HE1 TYR 123 1HE TYR 123 -1.950 -7.289 -8.033 889 HE2 TYR 123 2HE TYR 123 0.328 -6.505 -11.589 890 HH TYR 123 HH TYR 123 -1.775 -7.476 -11.526 891 H ASN 124 H ASN 124 4.818 -7.255 -9.416 892 HA ASN 124 HA ASN 124 7.414 -7.622 -8.279 893 1HB ASN 124 2HB ASN 124 6.764 -5.979 -10.743 894 2HB ASN 124 1HB ASN 124 8.273 -6.819 -10.384 895 1HD2 ASN 124 1HD2 ASN 124 8.447 -8.756 -11.506 896 2HD2 ASN 124 2HD2 ASN 124 7.147 -9.762 -11.934 897 H CYS 125 H CYS 125 8.330 -6.314 -6.797 898 HA CYS 125 HA CYS 125 7.473 -3.832 -5.911 899 1HB CYS 125 2HB CYS 125 10.297 -4.906 -6.067 900 2HB CYS 125 1HB CYS 125 9.851 -3.458 -5.164 901 H ASN 126 H ASN 126 8.727 -4.414 -9.021 902 HA ASN 126 HA ASN 126 9.742 -1.625 -9.260 903 1HB ASN 126 2HB ASN 126 11.024 -3.644 -10.182 904 2HB ASN 126 1HB ASN 126 9.771 -3.746 -11.419 905 1HD2 ASN 126 1HD2 ASN 126 12.481 -1.797 -10.250 906 2HD2 ASN 126 2HD2 ASN 126 12.546 -0.759 -11.592 907 H VAL 127 H VAL 127 7.132 -3.710 -10.487 908 HA VAL 127 HA VAL 127 6.175 -2.010 -12.551 909 HB VAL 127 HB VAL 127 4.774 -3.886 -10.632 910 1HG1 VAL 127 1HG1 VAL 127 2.762 -3.553 -12.199 911 2HG1 VAL 127 2HG1 VAL 127 3.551 -2.063 -12.714 912 3HG1 VAL 127 3HG1 VAL 127 3.070 -2.270 -11.030 913 1HG2 VAL 127 1HG2 VAL 127 6.226 -4.657 -12.603 914 2HG2 VAL 127 2HG2 VAL 127 4.976 -3.983 -13.649 915 3HG2 VAL 127 3HG2 VAL 127 4.585 -5.301 -12.543 916 H ARG 128 H ARG 128 5.368 0.096 -12.408 917 HA ARG 128 HA ARG 128 5.122 1.217 -9.715 918 1HB ARG 128 2HB ARG 128 4.473 3.274 -11.308 919 2HB ARG 128 1HB ARG 128 6.145 2.787 -11.056 920 1HG ARG 128 2HG ARG 128 6.152 1.498 -13.095 921 2HG ARG 128 1HG ARG 128 4.416 1.727 -13.305 922 1HD ARG 128 2HD ARG 128 5.655 4.312 -13.030 923 2HD ARG 128 1HD ARG 128 6.519 3.396 -14.264 924 HE ARG 128 HE ARG 128 3.747 4.331 -14.441 925 1HH1 ARG 128 1HH1 ARG 128 4.493 1.273 -15.043 926 2HH1 ARG 128 2HH1 ARG 128 4.472 1.344 -16.773 927 1HH2 ARG 128 1HH2 ARG 128 4.441 4.808 -16.896 928 2HH2 ARG 128 2HH2 ARG 128 4.444 3.345 -17.822 929 H LEU 129 H LEU 129 3.156 2.232 -8.874 930 HA LEU 129 HA LEU 129 0.734 1.676 -10.545 931 1HB LEU 129 2HB LEU 129 1.361 0.505 -7.843 932 2HB LEU 129 1HB LEU 129 -0.309 0.805 -8.290 933 HG LEU 129 HG LEU 129 0.964 -0.516 -10.499 934 1HD1 LEU 129 1HD1 LEU 129 1.506 -2.672 -9.347 935 2HD1 LEU 129 2HD1 LEU 129 1.375 -1.833 -7.801 936 3HD1 LEU 129 3HD1 LEU 129 2.630 -1.373 -8.951 937 1HD2 LEU 129 1HD2 LEU 129 -1.087 -1.384 -8.448 938 2HD2 LEU 129 2HD2 LEU 129 -0.758 -2.232 -9.958 939 3HD2 LEU 129 3HD2 LEU 129 -1.415 -0.596 -9.991 940 HA PRO 130 HA PRO 130 -0.583 5.514 -8.765 941 1HB PRO 130 2HB PRO 130 -3.230 4.597 -8.035 942 2HB PRO 130 1HB PRO 130 -2.779 5.605 -9.413 943 1HG PRO 130 2HG PRO 130 -3.580 2.830 -9.421 944 2HG PRO 130 1HG PRO 130 -3.216 3.869 -10.802 945 1HD PRO 130 2HD PRO 130 -1.639 1.697 -9.827 946 2HD PRO 130 1HD PRO 130 -1.193 2.854 -11.105 947 H TYR 131 H TYR 131 -0.280 6.174 -6.509 948 HA TYR 131 HA TYR 131 -0.847 4.032 -4.490 949 1HB TYR 131 2HB TYR 131 1.350 4.328 -3.503 950 2HB TYR 131 1HB TYR 131 1.529 3.955 -5.217 951 HD1 TYR 131 1HD TYR 131 1.722 5.942 -6.859 952 HD2 TYR 131 2HD TYR 131 2.312 6.294 -2.621 953 HE1 TYR 131 1HE TYR 131 2.955 8.064 -7.207 954 HE2 TYR 131 2HE TYR 131 3.547 8.416 -2.968 955 HH TYR 131 HH TYR 131 4.943 9.399 -5.106 956 H VAL 132 H VAL 132 -0.328 4.878 -2.203 957 HA VAL 132 HA VAL 132 -1.363 7.688 -1.952 958 HB VAL 132 HB VAL 132 -1.844 5.282 -0.162 959 1HG1 VAL 132 1HG1 VAL 132 -2.645 8.195 0.138 960 2HG1 VAL 132 2HG1 VAL 132 -1.587 7.281 1.212 961 3HG1 VAL 132 3HG1 VAL 132 -3.301 6.881 1.116 962 1HG2 VAL 132 1HG2 VAL 132 -3.905 6.987 -1.559 963 2HG2 VAL 132 2HG2 VAL 132 -4.089 5.364 -0.894 964 3HG2 VAL 132 3HG2 VAL 132 -3.156 5.610 -2.370 965 H CYS 133 H CYS 133 -0.478 8.821 -0.011 966 HA CYS 133 HA CYS 133 2.016 7.583 1.059 967 1HB CYS 133 2HB CYS 133 2.792 8.901 -0.806 968 2HB CYS 133 1HB CYS 133 1.792 10.271 -0.324 969 H LYS 134 H LYS 134 2.229 7.938 3.233 970 HA LYS 134 HA LYS 134 0.361 9.909 4.482 971 1HB LYS 134 2HB LYS 134 0.411 8.593 6.410 972 2HB LYS 134 1HB LYS 134 0.598 7.370 5.155 973 1HG LYS 134 2HG LYS 134 3.128 7.674 5.441 974 2HG LYS 134 1HG LYS 134 2.750 8.576 6.908 975 1HD LYS 134 2HD LYS 134 1.551 5.845 6.489 976 2HD LYS 134 1HD LYS 134 3.207 5.996 7.071 977 1HE LYS 134 2HE LYS 134 2.516 7.229 9.003 978 2HE LYS 134 1HE LYS 134 0.889 7.451 8.362 979 1HZ LYS 134 1HZ LYS 134 2.050 4.788 8.943 980 2HZ LYS 134 2HZ LYS 134 0.427 5.165 8.609 981 3HZ LYS 134 3HZ LYS 134 1.135 5.662 10.072 982 H PHE 135 H PHE 135 1.228 11.383 6.129 983 HA PHE 135 HA PHE 135 4.028 11.597 6.733 984 1HB PHE 135 2HB PHE 135 4.574 13.591 5.316 985 2HB PHE 135 1HB PHE 135 4.348 12.115 4.383 986 HD1 PHE 135 1HD PHE 135 2.394 11.804 2.950 987 HD2 PHE 135 2HD PHE 135 2.893 15.379 5.280 988 HE1 PHE 135 1HE PHE 135 0.600 12.908 1.643 989 HE2 PHE 135 2HE PHE 135 1.098 16.481 3.971 990 HZ PHE 135 HZ PHE 135 -0.048 15.246 2.153 991 H THR 136 H THR 136 4.010 12.772 8.599 992 HA THR 136 HA THR 136 1.704 14.462 9.239 993 HB THR 136 HB THR 136 4.159 14.472 10.947 994 HG1 THR 136 1HG THR 136 2.611 12.231 10.283 995 1HG2 THR 136 1HG2 THR 136 2.454 14.270 12.724 996 2HG2 THR 136 2HG2 THR 136 1.197 14.123 11.495 997 3HG2 THR 136 3HG2 THR 136 2.104 15.627 11.654 998 H ASP 137 H ASP 137 2.278 16.712 10.258 999 HA ASP 137 HA ASP 137 4.515 18.057 8.865 1000 1HB ASP 137 2HB ASP 137 1.596 18.781 8.481 1001 2HB ASP 137 1HB ASP 137 2.932 19.850 8.047 Start of MODEL 14 1 1H ARG 1 1HT ARG 1 -5.887 20.390 9.839 2 2H ARG 1 2HT ARG 1 -5.772 21.995 10.388 3 3H ARG 1 3HT ARG 1 -4.364 21.115 10.024 4 HA ARG 1 HA ARG 1 -6.439 21.742 8.003 5 1HB ARG 1 2HB ARG 1 -5.394 23.805 9.023 6 2HB ARG 1 1HB ARG 1 -3.827 23.205 8.479 7 1HG ARG 1 2HG ARG 1 -4.496 23.300 6.174 8 2HG ARG 1 1HG ARG 1 -6.178 23.602 6.613 9 1HD ARG 1 2HD ARG 1 -5.134 25.704 5.939 10 2HD ARG 1 1HD ARG 1 -5.481 25.752 7.667 11 HE ARG 1 HE ARG 1 -3.127 25.607 8.115 12 1HH1 ARG 1 1HH2 ARG 1 -2.882 23.774 5.536 13 2HH1 ARG 1 2HH2 ARG 1 -1.729 24.714 4.648 14 1HH2 ARG 1 1HH1 ARG 1 -2.083 27.524 6.645 15 2HH2 ARG 1 2HH1 ARG 1 -1.276 26.836 5.276 16 H CYS 2 H CYS 2 -5.982 20.727 6.092 17 HA CYS 2 HA CYS 2 -3.253 19.809 5.532 18 1HB CYS 2 2HB CYS 2 -5.343 18.056 6.523 19 2HB CYS 2 1HB CYS 2 -4.835 17.556 4.911 20 HA PRO 3 HA PRO 3 -4.279 20.715 1.345 21 1HB PRO 3 2HB PRO 3 -3.490 18.181 0.225 22 2HB PRO 3 1HB PRO 3 -2.592 19.701 0.235 23 1HG PRO 3 2HG PRO 3 -2.118 17.324 1.814 24 2HG PRO 3 1HG PRO 3 -1.146 18.796 1.720 25 1HD PRO 3 2HD PRO 3 -2.738 17.944 3.921 26 2HD PRO 3 1HD PRO 3 -1.934 19.520 3.736 27 H LYS 4 H LYS 4 -5.739 20.074 -0.453 28 HA LYS 4 HA LYS 4 -8.117 18.750 0.533 29 1HB LYS 4 2HB LYS 4 -7.635 19.625 -2.310 30 2HB LYS 4 1HB LYS 4 -9.167 19.508 -1.446 31 1HG LYS 4 2HG LYS 4 -8.490 21.355 0.036 32 2HG LYS 4 1HG LYS 4 -6.941 21.465 -0.800 33 1HD LYS 4 2HD LYS 4 -8.481 23.167 -1.662 34 2HD LYS 4 1HD LYS 4 -8.133 21.977 -2.914 35 1HE LYS 4 2HE LYS 4 -10.258 21.046 -2.813 36 2HE LYS 4 1HE LYS 4 -10.499 21.520 -1.132 37 1HZ LYS 4 1HZ LYS 4 -11.203 22.912 -3.497 38 2HZ LYS 4 2HZ LYS 4 -10.169 23.866 -2.546 39 3HZ LYS 4 3HZ LYS 4 -11.615 23.261 -1.889 40 H GLY 5 H GLY 5 -8.962 16.791 -0.264 41 1HA GLY 5 2HA GLY 5 -8.942 14.735 -1.448 42 2HA GLY 5 1HA GLY 5 -7.490 15.277 -2.300 43 H SER 6 H SER 6 -6.555 16.123 0.535 44 HA SER 6 HA SER 6 -5.304 13.471 1.127 45 1HB SER 6 2HB SER 6 -4.065 15.176 2.840 46 2HB SER 6 1HB SER 6 -3.527 14.917 1.184 47 HG SER 6 HG SER 6 -4.757 17.089 2.346 48 H LYS 7 H LYS 7 -5.549 12.452 3.142 49 HA LYS 7 HA LYS 7 -7.468 13.743 5.050 50 1HB LYS 7 2HB LYS 7 -7.432 10.802 4.301 51 2HB LYS 7 1HB LYS 7 -8.571 11.595 5.387 52 1HG LYS 7 2HG LYS 7 -8.278 12.537 2.539 53 2HG LYS 7 1HG LYS 7 -9.293 11.149 2.917 54 1HD LYS 7 2HD LYS 7 -10.869 12.419 4.009 55 2HD LYS 7 1HD LYS 7 -9.681 13.569 4.616 56 1HE LYS 7 2HE LYS 7 -11.135 14.625 2.930 57 2HE LYS 7 1HE LYS 7 -9.468 14.546 2.358 58 1HZ LYS 7 1HZ LYS 7 -11.802 13.350 1.262 59 2HZ LYS 7 2HZ LYS 7 -10.621 12.172 1.589 60 3HZ LYS 7 3HZ LYS 7 -10.251 13.494 0.588 61 H ALA 8 H ALA 8 -6.924 13.488 7.218 62 HA ALA 8 HA ALA 8 -4.251 12.359 7.743 63 1HB ALA 8 1HB ALA 8 -4.438 13.401 9.923 64 2HB ALA 8 2HB ALA 8 -6.161 13.690 9.681 65 3HB ALA 8 3HB ALA 8 -4.975 14.562 8.709 66 H TYR 9 H TYR 9 -3.862 10.693 9.263 67 HA TYR 9 HA TYR 9 -6.077 9.312 10.566 68 1HB TYR 9 2HB TYR 9 -6.020 8.545 8.083 69 2HB TYR 9 1HB TYR 9 -4.537 7.700 8.529 70 HD1 TYR 9 1HD TYR 9 -8.180 7.920 9.083 71 HD2 TYR 9 2HD TYR 9 -4.573 5.793 10.039 72 HE1 TYR 9 1HE TYR 9 -9.524 6.083 10.068 73 HE2 TYR 9 2HE TYR 9 -5.916 3.958 11.025 74 HH TYR 9 HH TYR 9 -9.456 4.194 11.263 75 H GLY 10 H GLY 10 -5.261 8.357 12.397 76 1HA GLY 10 2HA GLY 10 -3.682 7.381 13.853 77 2HA GLY 10 1HA GLY 10 -2.598 7.189 12.474 78 H SER 11 H SER 11 -1.675 9.376 11.641 79 HA SER 11 HA SER 11 -1.547 11.657 13.336 80 1HB SER 11 2HB SER 11 0.902 11.198 14.111 81 2HB SER 11 1HB SER 11 -0.420 10.472 15.019 82 HG SER 11 HG SER 11 -0.114 8.589 13.694 83 H HIS 12 H HIS 12 -1.425 10.702 10.452 84 HA HIS 12 HA HIS 12 0.747 12.544 9.631 85 1HB HIS 12 2HB HIS 12 0.369 9.854 8.295 86 2HB HIS 12 1HB HIS 12 1.688 11.000 8.071 87 HD1 HIS 12 1HD HIS 12 3.728 10.552 9.413 88 HD2 HIS 12 2HD HIS 12 0.355 8.813 11.135 89 HE1 HIS 12 1HE HIS 12 4.546 9.234 11.417 90 H CYS 13 H CYS 13 0.319 13.513 7.571 91 HA CYS 13 HA CYS 13 -2.532 13.454 6.825 92 1HB CYS 13 2HB CYS 13 -0.940 15.541 6.956 93 2HB CYS 13 1HB CYS 13 -0.440 15.028 5.346 94 H TYR 14 H TYR 14 -3.295 12.200 5.177 95 HA TYR 14 HA TYR 14 -1.296 10.808 3.484 96 1HB TYR 14 2HB TYR 14 -4.237 10.275 3.968 97 2HB TYR 14 1HB TYR 14 -3.221 9.330 2.880 98 HD1 TYR 14 1HD TYR 14 -3.215 10.616 6.413 99 HD2 TYR 14 2HD TYR 14 -2.156 7.432 3.730 100 HE1 TYR 14 1HE TYR 14 -2.411 9.273 8.326 101 HE2 TYR 14 2HE TYR 14 -1.351 6.088 5.654 102 HH TYR 14 HH TYR 14 -0.635 7.302 8.573 103 H ALA 15 H ALA 15 -1.686 10.628 1.166 104 HA ALA 15 HA ALA 15 -3.614 12.494 -0.042 105 1HB ALA 15 1HB ALA 15 -1.534 13.846 0.497 106 2HB ALA 15 2HB ALA 15 -1.983 13.827 -1.208 107 3HB ALA 15 3HB ALA 15 -0.660 12.813 -0.635 108 H LEU 16 H LEU 16 -4.320 11.659 -1.942 109 HA LEU 16 HA LEU 16 -2.993 9.212 -2.957 110 1HB LEU 16 2HB LEU 16 -5.352 8.974 -2.672 111 2HB LEU 16 1HB LEU 16 -5.678 10.517 -3.455 112 HG LEU 16 HG LEU 16 -4.886 9.615 -5.600 113 1HD1 LEU 16 1HD1 LEU 16 -4.286 7.203 -3.891 114 2HD1 LEU 16 2HD1 LEU 16 -3.228 8.029 -5.032 115 3HD1 LEU 16 3HD1 LEU 16 -4.560 7.042 -5.625 116 1HD2 LEU 16 1HD2 LEU 16 -6.658 7.783 -5.833 117 2HD2 LEU 16 2HD2 LEU 16 -7.228 9.341 -5.235 118 3HD2 LEU 16 3HD2 LEU 16 -6.967 8.008 -4.111 119 H PHE 17 H PHE 17 -1.848 9.194 -4.852 120 HA PHE 17 HA PHE 17 -1.975 11.621 -6.590 121 1HB PHE 17 2HB PHE 17 0.378 9.904 -5.758 122 2HB PHE 17 1HB PHE 17 0.437 10.951 -7.177 123 HD1 PHE 17 1HD PHE 17 0.659 10.790 -3.576 124 HD2 PHE 17 2HD PHE 17 -0.047 13.435 -6.886 125 HE1 PHE 17 1HE PHE 17 1.144 12.739 -2.122 126 HE2 PHE 17 2HE PHE 17 0.438 15.385 -5.431 127 HZ PHE 17 HZ PHE 17 1.033 15.037 -3.048 128 H LEU 18 H LEU 18 -2.865 11.072 -8.505 129 HA LEU 18 HA LEU 18 -3.220 8.306 -9.286 130 1HB LEU 18 2HB LEU 18 -3.536 10.709 -11.098 131 2HB LEU 18 1HB LEU 18 -4.381 9.163 -11.186 132 HG LEU 18 HG LEU 18 -4.739 11.371 -9.152 133 1HD1 LEU 18 1HD1 LEU 18 -7.108 11.125 -9.838 134 2HD1 LEU 18 2HD1 LEU 18 -6.639 9.854 -10.967 135 3HD1 LEU 18 3HD1 LEU 18 -6.072 11.506 -11.214 136 1HD2 LEU 18 1HD2 LEU 18 -5.521 8.454 -9.002 137 2HD2 LEU 18 2HD2 LEU 18 -6.380 9.696 -8.092 138 3HD2 LEU 18 3HD2 LEU 18 -4.666 9.409 -7.797 139 H SER 19 H SER 19 -0.513 9.859 -9.016 140 HA SER 19 HA SER 19 0.571 9.367 -11.723 141 1HB SER 19 2HB SER 19 2.619 9.970 -9.797 142 2HB SER 19 1HB SER 19 2.083 10.921 -11.178 143 HG SER 19 HG SER 19 0.371 10.867 -9.001 144 HA PRO 20 HA PRO 20 1.586 5.171 -10.446 145 1HB PRO 20 2HB PRO 20 3.278 4.898 -12.745 146 2HB PRO 20 1HB PRO 20 1.649 4.262 -12.511 147 1HG PRO 20 2HG PRO 20 2.475 6.428 -14.211 148 2HG PRO 20 1HG PRO 20 0.854 5.765 -14.002 149 1HD PRO 20 2HD PRO 20 1.864 8.289 -13.081 150 2HD PRO 20 1HD PRO 20 0.231 7.609 -12.846 151 H LYS 21 H LYS 21 3.456 4.136 -9.528 152 HA LYS 21 HA LYS 21 6.117 5.278 -9.906 153 1HB LYS 21 2HB LYS 21 4.557 5.801 -7.375 154 2HB LYS 21 1HB LYS 21 6.319 5.724 -7.354 155 1HG LYS 21 2HG LYS 21 6.143 7.426 -9.355 156 2HG LYS 21 1HG LYS 21 4.527 7.720 -8.713 157 1HD LYS 21 2HD LYS 21 5.612 8.076 -6.444 158 2HD LYS 21 1HD LYS 21 7.167 8.067 -7.279 159 1HE LYS 21 2HE LYS 21 6.480 9.956 -8.663 160 2HE LYS 21 1HE LYS 21 4.871 9.931 -7.945 161 1HZ LYS 21 1HZ LYS 21 5.998 11.564 -6.765 162 2HZ LYS 21 2HZ LYS 21 7.439 10.668 -6.687 163 3HZ LYS 21 3HZ LYS 21 6.100 10.212 -5.747 164 H SER 22 H SER 22 7.518 3.568 -9.703 165 HA SER 22 HA SER 22 6.761 0.947 -9.075 166 1HB SER 22 2HB SER 22 9.436 2.315 -8.747 167 2HB SER 22 1HB SER 22 9.211 0.587 -8.512 168 HG SER 22 HG SER 22 8.312 0.576 -10.671 169 H TRP 23 H TRP 23 6.827 -0.306 -7.130 170 HA TRP 23 HA TRP 23 5.998 0.999 -4.751 171 1HB TRP 23 2HB TRP 23 5.620 -1.398 -5.056 172 2HB TRP 23 1HB TRP 23 7.358 -1.697 -5.083 173 HD1 TRP 23 HD TRP 23 4.456 -1.254 -2.765 174 HE1 TRP 23 1HE TRP 23 5.255 -1.391 -0.319 175 HE3 TRP 23 3HE TRP 23 9.512 -1.080 -3.476 176 HZ2 TRP 23 2HZ TRP 23 7.714 -1.421 1.145 177 HZ3 TRP 23 3HZ TRP 23 11.055 -1.164 -1.541 178 HH2 TRP 23 HH TRP 23 10.164 -1.334 0.767 179 H THR 24 H THR 24 9.096 0.552 -6.146 180 HA THR 24 HA THR 24 10.529 1.145 -3.625 181 HB THR 24 HB THR 24 11.335 -0.525 -5.387 182 HG1 THR 24 1HG THR 24 12.912 1.632 -4.470 183 1HG2 THR 24 1HG2 THR 24 10.846 1.432 -7.174 184 2HG2 THR 24 2HG2 THR 24 12.049 0.174 -7.453 185 3HG2 THR 24 3HG2 THR 24 12.547 1.758 -6.858 186 H ASP 25 H ASP 25 9.241 2.725 -6.354 187 HA ASP 25 HA ASP 25 10.980 5.093 -6.136 188 1HB ASP 25 2HB ASP 25 8.680 4.325 -7.932 189 2HB ASP 25 1HB ASP 25 9.284 5.981 -7.886 190 H ALA 26 H ALA 26 7.591 4.180 -5.478 191 HA ALA 26 HA ALA 26 6.934 6.822 -4.455 192 1HB ALA 26 1HB ALA 26 4.822 5.881 -3.938 193 2HB ALA 26 2HB ALA 26 5.490 4.253 -3.814 194 3HB ALA 26 3HB ALA 26 5.327 5.020 -5.388 195 H ASP 27 H ASP 27 8.160 3.783 -3.237 196 HA ASP 27 HA ASP 27 7.823 4.262 -0.446 197 1HB ASP 27 2HB ASP 27 8.388 2.062 -1.243 198 2HB ASP 27 1HB ASP 27 9.848 2.666 -2.026 199 H LEU 28 H LEU 28 10.467 5.045 -2.694 200 HA LEU 28 HA LEU 28 12.129 6.243 -0.646 201 1HB LEU 28 2HB LEU 28 12.902 5.317 -2.903 202 2HB LEU 28 1HB LEU 28 12.265 6.798 -3.615 203 HG LEU 28 HG LEU 28 13.707 7.976 -1.742 204 1HD1 LEU 28 1HD1 LEU 28 15.807 6.684 -1.315 205 2HD1 LEU 28 2HD1 LEU 28 15.051 5.273 -2.052 206 3HD1 LEU 28 3HD1 LEU 28 14.389 5.952 -0.565 207 1HD2 LEU 28 1HD2 LEU 28 14.108 8.265 -4.130 208 2HD2 LEU 28 2HD2 LEU 28 14.872 6.679 -4.226 209 3HD2 LEU 28 3HD2 LEU 28 15.651 7.979 -3.324 210 H ALA 29 H ALA 29 9.961 7.568 -3.157 211 HA ALA 29 HA ALA 29 10.441 10.321 -2.503 212 1HB ALA 29 1HB ALA 29 8.429 10.786 -3.793 213 2HB ALA 29 2HB ALA 29 7.935 9.095 -3.688 214 3HB ALA 29 3HB ALA 29 9.368 9.540 -4.615 215 H CYS 30 H CYS 30 7.685 8.183 -1.583 216 HA CYS 30 HA CYS 30 6.505 10.106 0.165 217 1HB CYS 30 2HB CYS 30 5.371 8.021 -0.654 218 2HB CYS 30 1HB CYS 30 6.401 7.086 0.430 219 H GLN 31 H GLN 31 9.306 8.122 0.441 220 HA GLN 31 HA GLN 31 9.421 8.251 3.368 221 1HB GLN 31 2HB GLN 31 10.488 6.344 2.342 222 2HB GLN 31 1HB GLN 31 11.420 7.381 1.262 223 1HG GLN 31 2HG GLN 31 12.758 8.215 3.050 224 2HG GLN 31 1HG GLN 31 11.661 7.565 4.269 225 1HE2 GLN 31 1HE2 GLN 31 13.422 6.281 5.228 226 2HE2 GLN 31 2HE2 GLN 31 14.001 4.887 4.453 227 H LYS 32 H LYS 32 10.609 10.024 0.601 228 HA LYS 32 HA LYS 32 12.545 11.619 1.954 229 1HB LYS 32 2HB LYS 32 12.626 11.598 -0.430 230 2HB LYS 32 1HB LYS 32 10.921 12.025 -0.561 231 1HG LYS 32 2HG LYS 32 11.305 14.255 0.127 232 2HG LYS 32 1HG LYS 32 12.901 13.869 0.772 233 1HD LYS 32 2HD LYS 32 13.147 15.040 -1.360 234 2HD LYS 32 1HD LYS 32 13.675 13.367 -1.546 235 1HE LYS 32 2HE LYS 32 11.685 12.750 -2.680 236 2HE LYS 32 1HE LYS 32 10.845 14.216 -2.173 237 1HZ LYS 32 1HZ LYS 32 13.245 14.238 -3.912 238 2HZ LYS 32 2HZ LYS 32 12.189 15.527 -3.585 239 3HZ LYS 32 3HZ LYS 32 11.662 14.210 -4.520 240 H ARG 33 H ARG 33 9.258 11.400 2.380 241 HA ARG 33 HA ARG 33 8.784 14.244 2.982 242 1HB ARG 33 2HB ARG 33 7.146 11.780 2.727 243 2HB ARG 33 1HB ARG 33 6.552 12.982 3.866 244 1HG ARG 33 2HG ARG 33 5.585 13.413 1.668 245 2HG ARG 33 1HG ARG 33 6.716 14.707 2.059 246 1HD ARG 33 2HD ARG 33 8.464 13.581 0.725 247 2HD ARG 33 1HD ARG 33 7.324 12.295 0.325 248 HE ARG 33 HE ARG 33 6.590 15.080 -0.406 249 1HH1 ARG 33 1HH2 ARG 33 8.836 13.623 -2.005 250 2HH1 ARG 33 2HH2 ARG 33 7.913 13.041 -3.349 251 1HH2 ARG 33 1HH1 ARG 33 4.848 13.583 -1.821 252 2HH2 ARG 33 2HH1 ARG 33 5.655 13.017 -3.245 253 HA PRO 34 HA PRO 34 9.687 14.333 7.279 254 1HB PRO 34 2HB PRO 34 6.982 14.801 8.189 255 2HB PRO 34 1HB PRO 34 8.307 15.960 8.048 256 1HG PRO 34 2HG PRO 34 6.003 15.585 6.293 257 2HG PRO 34 1HG PRO 34 7.161 16.919 6.337 258 1HD PRO 34 2HD PRO 34 7.000 15.022 4.302 259 2HD PRO 34 1HD PRO 34 8.434 16.017 4.641 260 H SER 35 H SER 35 10.067 11.986 7.165 261 HA SER 35 HA SER 35 9.794 9.834 8.023 262 1HB SER 35 2HB SER 35 7.424 10.753 9.626 263 2HB SER 35 1HB SER 35 8.673 9.592 10.061 264 HG SER 35 HG SER 35 9.726 12.025 9.538 265 H GLY 36 H GLY 36 8.028 11.154 5.818 266 1HA GLY 36 2HA GLY 36 5.544 9.694 5.853 267 2HA GLY 36 1HA GLY 36 6.257 10.460 4.434 268 H ASN 37 H ASN 37 5.166 8.240 3.732 269 HA ASN 37 HA ASN 37 7.033 6.568 2.558 270 1HB ASN 37 2HB ASN 37 6.670 4.528 4.264 271 2HB ASN 37 1HB ASN 37 8.011 5.652 4.455 272 1HD2 ASN 37 1HD2 ASN 37 7.934 5.173 6.823 273 2HD2 ASN 37 2HD2 ASN 37 6.754 5.913 7.791 274 H LEU 38 H LEU 38 5.921 5.076 1.240 275 HA LEU 38 HA LEU 38 3.419 5.213 0.405 276 1HB LEU 38 2HB LEU 38 4.848 2.680 1.185 277 2HB LEU 38 1HB LEU 38 3.292 2.645 0.357 278 HG LEU 38 HG LEU 38 5.622 4.253 -0.683 279 1HD1 LEU 38 1HD1 LEU 38 6.200 1.794 -0.459 280 2HD1 LEU 38 2HD1 LEU 38 6.247 2.419 -2.107 281 3HD1 LEU 38 3HD1 LEU 38 4.871 1.457 -1.568 282 1HD2 LEU 38 1HD2 LEU 38 2.874 3.843 -1.443 283 2HD2 LEU 38 2HD2 LEU 38 3.929 3.237 -2.714 284 3HD2 LEU 38 3HD2 LEU 38 4.076 4.905 -2.163 285 H VAL 39 H VAL 39 1.313 4.934 1.067 286 HA VAL 39 HA VAL 39 0.445 5.336 3.621 287 HB VAL 39 HB VAL 39 -1.164 5.332 1.885 288 1HG1 VAL 39 1HG1 VAL 39 -0.486 2.401 1.502 289 2HG1 VAL 39 2HG1 VAL 39 -0.069 3.715 0.400 290 3HG1 VAL 39 3HG1 VAL 39 -1.758 3.268 0.641 291 1HG2 VAL 39 1HG2 VAL 39 -1.872 2.826 3.416 292 2HG2 VAL 39 2HG2 VAL 39 -2.949 4.103 2.850 293 3HG2 VAL 39 3HG2 VAL 39 -1.851 4.406 4.197 294 H SER 40 H SER 40 -0.208 4.103 5.390 295 HA SER 40 HA SER 40 1.066 1.402 5.594 296 1HB SER 40 2HB SER 40 0.326 2.287 8.162 297 2HB SER 40 1HB SER 40 1.950 2.289 7.480 298 HG SER 40 HG SER 40 0.000 4.347 7.375 299 H VAL 41 H VAL 41 -0.215 0.011 7.359 300 HA VAL 41 HA VAL 41 -3.086 0.461 7.478 301 HB VAL 41 HB VAL 41 -2.936 -2.103 6.200 302 1HG1 VAL 41 1HG1 VAL 41 -4.419 -0.969 4.542 303 2HG1 VAL 41 2HG1 VAL 41 -4.071 0.567 5.338 304 3HG1 VAL 41 3HG1 VAL 41 -4.915 -0.710 6.215 305 1HG2 VAL 41 1HG2 VAL 41 -0.791 -1.014 5.224 306 2HG2 VAL 41 2HG2 VAL 41 -1.896 0.054 4.360 307 3HG2 VAL 41 3HG2 VAL 41 -1.960 -1.686 4.092 308 H LEU 42 H LEU 42 -2.625 0.144 9.739 309 HA LEU 42 HA LEU 42 -1.924 -2.677 10.483 310 1HB LEU 42 2HB LEU 42 -1.480 -0.065 11.935 311 2HB LEU 42 1HB LEU 42 -1.336 -1.633 12.731 312 HG LEU 42 HG LEU 42 0.150 -0.926 10.201 313 1HD1 LEU 42 1HD1 LEU 42 2.131 -0.645 11.740 314 2HD1 LEU 42 2HD1 LEU 42 1.006 -0.676 13.097 315 3HD1 LEU 42 3HD1 LEU 42 0.912 0.617 11.901 316 1HD2 LEU 42 1HD2 LEU 42 -0.189 -3.328 11.781 317 2HD2 LEU 42 2HD2 LEU 42 1.506 -2.849 11.766 318 3HD2 LEU 42 3HD2 LEU 42 0.651 -3.112 10.253 319 H SER 43 H SER 43 -4.623 -1.043 9.986 320 HA SER 43 HA SER 43 -5.981 -2.314 12.315 321 1HB SER 43 2HB SER 43 -6.718 0.462 11.378 322 2HB SER 43 1HB SER 43 -7.240 -0.367 12.843 323 HG SER 43 HG SER 43 -5.626 0.938 13.503 324 H GLY 44 H GLY 44 -8.114 -2.989 11.870 325 1HA GLY 44 2HA GLY 44 -8.692 -3.647 9.138 326 2HA GLY 44 1HA GLY 44 -9.822 -3.812 10.482 327 H ALA 45 H ALA 45 -9.262 -0.836 11.041 328 HA ALA 45 HA ALA 45 -11.453 0.156 9.344 329 1HB ALA 45 1HB ALA 45 -9.840 1.467 11.555 330 2HB ALA 45 2HB ALA 45 -11.453 0.770 11.707 331 3HB ALA 45 3HB ALA 45 -11.207 2.220 10.734 332 H GLU 46 H GLU 46 -7.972 0.553 9.698 333 HA GLU 46 HA GLU 46 -7.769 2.842 7.937 334 1HB GLU 46 2HB GLU 46 -6.033 2.045 9.649 335 2HB GLU 46 1HB GLU 46 -5.588 0.814 8.466 336 1HG GLU 46 2HG GLU 46 -5.074 2.533 6.812 337 2HG GLU 46 1HG GLU 46 -5.621 3.797 7.915 338 H GLY 47 H GLY 47 -7.479 -0.674 7.495 339 1HA GLY 47 2HA GLY 47 -6.659 -0.587 4.751 340 2HA GLY 47 1HA GLY 47 -7.471 -1.953 5.518 341 H SER 48 H SER 48 -9.810 -0.373 6.307 342 HA SER 48 HA SER 48 -11.250 -0.500 3.750 343 1HB SER 48 2HB SER 48 -12.652 -1.302 5.408 344 2HB SER 48 1HB SER 48 -11.980 -0.234 6.636 345 HG SER 48 HG SER 48 -13.847 0.332 4.592 346 H PHE 49 H PHE 49 -10.011 1.921 5.967 347 HA PHE 49 HA PHE 49 -11.440 4.160 4.827 348 1HB PHE 49 2HB PHE 49 -10.320 4.131 7.097 349 2HB PHE 49 1HB PHE 49 -8.769 4.219 6.260 350 HD1 PHE 49 1HD PHE 49 -7.957 6.273 5.369 351 HD2 PHE 49 2HD PHE 49 -12.015 5.976 6.747 352 HE1 PHE 49 1HE PHE 49 -8.209 8.731 5.157 353 HE2 PHE 49 2HE PHE 49 -12.266 8.434 6.536 354 HZ PHE 49 HZ PHE 49 -10.363 9.811 5.741 355 H VAL 50 H VAL 50 -8.102 2.931 4.403 356 HA VAL 50 HA VAL 50 -7.327 4.809 2.415 357 HB VAL 50 HB VAL 50 -6.451 1.916 2.702 358 1HG1 VAL 50 1HG1 VAL 50 -5.813 2.835 0.539 359 2HG1 VAL 50 2HG1 VAL 50 -4.386 2.765 1.572 360 3HG1 VAL 50 3HG1 VAL 50 -5.205 4.303 1.305 361 1HG2 VAL 50 1HG2 VAL 50 -4.742 2.714 4.161 362 2HG2 VAL 50 2HG2 VAL 50 -6.220 3.496 4.722 363 3HG2 VAL 50 3HG2 VAL 50 -5.065 4.396 3.742 364 H SER 51 H SER 51 -9.059 1.728 2.191 365 HA SER 51 HA SER 51 -9.053 1.437 -0.629 366 1HB SER 51 2HB SER 51 -9.927 -0.403 0.536 367 2HB SER 51 1HB SER 51 -10.958 0.604 1.546 368 HG SER 51 HG SER 51 -11.391 0.737 -1.191 369 H SER 52 H SER 52 -11.325 3.204 1.484 370 HA SER 52 HA SER 52 -12.992 4.126 -0.680 371 1HB SER 52 2HB SER 52 -13.913 5.683 0.984 372 2HB SER 52 1HB SER 52 -13.746 4.072 1.679 373 HG SER 52 HG SER 52 -11.484 5.558 1.945 374 H LEU 53 H LEU 53 -9.944 5.188 0.609 375 HA LEU 53 HA LEU 53 -10.106 7.896 -0.452 376 1HB LEU 53 2HB LEU 53 -8.620 7.653 1.374 377 2HB LEU 53 1HB LEU 53 -7.921 6.178 0.719 378 HG LEU 53 HG LEU 53 -6.928 7.525 -1.146 379 1HD1 LEU 53 1HD1 LEU 53 -8.465 9.417 -1.159 380 2HD1 LEU 53 2HD1 LEU 53 -6.853 10.017 -0.773 381 3HD1 LEU 53 3HD1 LEU 53 -8.048 9.815 0.508 382 1HD2 LEU 53 1HD2 LEU 53 -6.222 8.469 1.651 383 2HD2 LEU 53 2HD2 LEU 53 -5.174 8.564 0.235 384 3HD2 LEU 53 3HD2 LEU 53 -5.629 6.992 0.893 385 H VAL 54 H VAL 54 -9.167 4.762 -1.643 386 HA VAL 54 HA VAL 54 -8.233 6.043 -4.184 387 HB VAL 54 HB VAL 54 -6.755 4.125 -4.483 388 1HG1 VAL 54 1HG1 VAL 54 -5.177 4.669 -2.783 389 2HG1 VAL 54 2HG1 VAL 54 -6.447 5.064 -1.625 390 3HG1 VAL 54 3HG1 VAL 54 -6.140 6.130 -2.996 391 1HG2 VAL 54 1HG2 VAL 54 -8.184 3.152 -2.008 392 2HG2 VAL 54 2HG2 VAL 54 -6.557 2.585 -2.382 393 3HG2 VAL 54 3HG2 VAL 54 -7.877 2.287 -3.513 394 H LYS 55 H LYS 55 -10.949 4.881 -3.144 395 HA LYS 55 HA LYS 55 -11.383 2.716 -5.106 396 1HB LYS 55 2HB LYS 55 -12.466 2.422 -2.975 397 2HB LYS 55 1HB LYS 55 -13.181 4.030 -3.050 398 1HG LYS 55 2HG LYS 55 -14.593 3.386 -4.905 399 2HG LYS 55 1HG LYS 55 -13.775 1.832 -5.054 400 1HD LYS 55 2HD LYS 55 -15.270 2.714 -2.568 401 2HD LYS 55 1HD LYS 55 -15.993 1.736 -3.843 402 1HE LYS 55 2HE LYS 55 -13.840 0.225 -3.448 403 2HE LYS 55 1HE LYS 55 -13.873 0.996 -1.862 404 1HZ LYS 55 1HZ LYS 55 -15.226 -0.807 -1.539 405 2HZ LYS 55 2HZ LYS 55 -15.863 -0.766 -3.113 406 3HZ LYS 55 3HZ LYS 55 -16.369 0.373 -1.959 407 H SER 56 H SER 56 -11.705 6.135 -4.929 408 HA SER 56 HA SER 56 -13.637 6.159 -7.205 409 1HB SER 56 2HB SER 56 -13.705 8.644 -6.709 410 2HB SER 56 1HB SER 56 -14.317 7.613 -5.418 411 HG SER 56 HG SER 56 -11.608 8.080 -5.329 412 H ILE 57 H ILE 57 -10.571 5.626 -7.161 413 HA ILE 57 HA ILE 57 -9.240 7.777 -8.430 414 HB ILE 57 HB ILE 57 -7.996 5.900 -7.583 415 1HG1 ILE 57 2HG1 ILE 57 -7.859 5.734 -10.601 416 2HG1 ILE 57 1HG1 ILE 57 -7.178 7.067 -9.673 417 1HG2 ILE 57 1HG2 ILE 57 -8.319 3.662 -8.217 418 2HG2 ILE 57 2HG2 ILE 57 -9.147 4.100 -9.708 419 3HG2 ILE 57 3HG2 ILE 57 -9.967 4.282 -8.159 420 1HD1 ILE 57 1HD1 ILE 57 -5.548 5.201 -10.215 421 2HD1 ILE 57 2HD1 ILE 57 -6.492 4.172 -9.139 422 3HD1 ILE 57 3HD1 ILE 57 -5.682 5.603 -8.505 423 H GLY 58 H GLY 58 -10.730 4.897 -9.979 424 1HA GLY 58 2HA GLY 58 -12.289 5.788 -11.927 425 2HA GLY 58 1HA GLY 58 -10.751 6.384 -12.555 426 H ASN 59 H ASN 59 -12.631 4.247 -13.568 427 HA ASN 59 HA ASN 59 -11.685 1.652 -13.226 428 1HB ASN 59 2HB ASN 59 -12.444 1.252 -15.585 429 2HB ASN 59 1HB ASN 59 -13.635 2.098 -14.596 430 1HD2 ASN 59 1HD2 ASN 59 -10.749 3.109 -16.533 431 2HD2 ASN 59 2HD2 ASN 59 -11.552 4.378 -17.325 432 H SER 60 H SER 60 -10.140 4.315 -14.873 433 HA SER 60 HA SER 60 -8.316 2.808 -16.489 434 1HB SER 60 2HB SER 60 -7.884 5.529 -15.221 435 2HB SER 60 1HB SER 60 -7.002 4.869 -16.596 436 HG SER 60 HG SER 60 -8.567 5.568 -17.796 437 H TYR 61 H TYR 61 -8.672 2.426 -13.332 438 HA TYR 61 HA TYR 61 -5.947 1.454 -12.943 439 1HB TYR 61 2HB TYR 61 -7.020 3.782 -11.342 440 2HB TYR 61 1HB TYR 61 -5.640 2.810 -10.834 441 HD1 TYR 61 1HD TYR 61 -6.527 5.748 -12.501 442 HD2 TYR 61 2HD TYR 61 -3.865 2.392 -12.851 443 HE1 TYR 61 1HE TYR 61 -5.043 7.077 -13.974 444 HE2 TYR 61 2HE TYR 61 -2.383 3.725 -14.325 445 HH TYR 61 HH TYR 61 -3.322 6.910 -15.482 446 H SER 62 H SER 62 -6.187 -0.415 -11.840 447 HA SER 62 HA SER 62 -8.629 -0.742 -10.137 448 1HB SER 62 2HB SER 62 -7.984 -3.272 -10.594 449 2HB SER 62 1HB SER 62 -8.888 -2.350 -11.791 450 HG SER 62 HG SER 62 -7.038 -2.044 -12.943 451 H TYR 63 H TYR 63 -5.125 -1.185 -10.295 452 HA TYR 63 HA TYR 63 -5.223 -2.123 -7.453 453 1HB TYR 63 2HB TYR 63 -3.202 -2.539 -9.644 454 2HB TYR 63 1HB TYR 63 -2.813 -2.831 -7.948 455 HD1 TYR 63 1HD TYR 63 -5.578 -3.582 -10.381 456 HD2 TYR 63 2HD TYR 63 -3.135 -4.991 -7.140 457 HE1 TYR 63 1HE TYR 63 -6.691 -5.794 -10.500 458 HE2 TYR 63 2HE TYR 63 -4.247 -7.203 -7.266 459 HH TYR 63 HH TYR 63 -7.097 -7.742 -8.800 460 H VAL 64 H VAL 64 -3.454 -1.348 -6.050 461 HA VAL 64 HA VAL 64 -2.339 1.319 -6.808 462 HB VAL 64 HB VAL 64 -3.923 0.737 -4.286 463 1HG1 VAL 64 1HG1 VAL 64 -2.977 3.423 -5.259 464 2HG1 VAL 64 2HG1 VAL 64 -1.983 2.419 -4.200 465 3HG1 VAL 64 3HG1 VAL 64 -3.561 2.980 -3.657 466 1HG2 VAL 64 1HG2 VAL 64 -4.588 2.334 -6.770 467 2HG2 VAL 64 2HG2 VAL 64 -5.521 2.400 -5.276 468 3HG2 VAL 64 3HG2 VAL 64 -5.418 0.893 -6.182 469 H TRP 65 H TRP 65 -0.372 1.786 -5.704 470 HA TRP 65 HA TRP 65 0.942 -0.558 -4.516 471 1HB TRP 65 2HB TRP 65 1.779 2.042 -5.627 472 2HB TRP 65 1HB TRP 65 2.736 1.518 -4.253 473 HD1 TRP 65 HD TRP 65 3.463 1.688 -7.474 474 HE1 TRP 65 1HE TRP 65 4.636 -0.353 -8.507 475 HE3 TRP 65 3HE TRP 65 2.228 -1.899 -4.034 476 HZ2 TRP 65 2HZ TRP 65 4.968 -3.123 -7.982 477 HZ3 TRP 65 3HZ TRP 65 2.989 -4.230 -4.348 478 HH2 TRP 65 HH TRP 65 4.359 -4.848 -6.312 479 H ILE 66 H ILE 66 1.740 -0.644 -2.343 480 HA ILE 66 HA ILE 66 1.030 1.655 -0.581 481 HB ILE 66 HB ILE 66 0.241 0.010 1.164 482 1HG1 ILE 66 2HG1 ILE 66 0.299 -1.876 -1.206 483 2HG1 ILE 66 1HG1 ILE 66 1.231 -2.033 0.283 484 1HG2 ILE 66 1HG2 ILE 66 -1.428 -0.182 -1.347 485 2HG2 ILE 66 2HG2 ILE 66 -1.249 1.337 -0.470 486 3HG2 ILE 66 3HG2 ILE 66 -1.983 -0.057 0.321 487 1HD1 ILE 66 1HD1 ILE 66 -1.020 -2.050 1.512 488 2HD1 ILE 66 2HD1 ILE 66 -0.647 -3.485 0.557 489 3HD1 ILE 66 3HD1 ILE 66 -1.765 -2.274 -0.070 490 H GLY 67 H GLY 67 2.071 1.021 1.741 491 1HA GLY 67 2HA GLY 67 4.886 0.485 1.143 492 2HA GLY 67 1HA GLY 67 4.244 1.092 2.670 493 H LEU 68 H LEU 68 3.830 -1.880 0.712 494 HA LEU 68 HA LEU 68 4.505 -3.412 3.190 495 1HB LEU 68 2HB LEU 68 1.973 -3.352 2.338 496 2HB LEU 68 1HB LEU 68 2.573 -4.586 1.240 497 HG LEU 68 HG LEU 68 1.775 -5.761 3.159 498 1HD1 LEU 68 1HD1 LEU 68 4.727 -5.518 3.735 499 2HD1 LEU 68 2HD1 LEU 68 4.134 -6.321 2.283 500 3HD1 LEU 68 3HD1 LEU 68 3.698 -6.938 3.874 501 1HD2 LEU 68 1HD2 LEU 68 3.506 -4.530 5.188 502 2HD2 LEU 68 2HD2 LEU 68 1.798 -4.949 5.268 503 3HD2 LEU 68 3HD2 LEU 68 2.296 -3.422 4.545 504 H HIS 69 H HIS 69 6.115 -4.902 2.840 505 HA HIS 69 HA HIS 69 6.544 -5.875 0.062 506 1HB HIS 69 2HB HIS 69 8.881 -5.386 0.084 507 2HB HIS 69 1HB HIS 69 8.068 -3.900 0.575 508 HD1 HIS 69 1HD HIS 69 10.674 -6.188 1.635 509 HD2 HIS 69 2HD HIS 69 7.962 -3.691 3.560 510 HE1 HIS 69 1HE HIS 69 11.536 -5.881 3.997 511 H ASP 70 H ASP 70 8.482 -7.528 0.232 512 HA ASP 70 HA ASP 70 7.674 -9.460 2.348 513 1HB ASP 70 2HB ASP 70 9.105 -9.818 -0.294 514 2HB ASP 70 1HB ASP 70 8.846 -11.123 0.865 515 HA PRO 71 HA PRO 71 11.716 -8.189 4.066 516 1HB PRO 71 2HB PRO 71 11.211 -9.925 6.305 517 2HB PRO 71 1HB PRO 71 11.147 -8.162 6.256 518 1HG PRO 71 2HG PRO 71 8.957 -9.974 6.489 519 2HG PRO 71 1HG PRO 71 8.894 -8.217 6.362 520 1HD PRO 71 2HD PRO 71 8.170 -10.188 4.360 521 2HD PRO 71 1HD PRO 71 7.998 -8.417 4.283 522 H THR 72 H THR 72 10.593 -11.170 2.962 523 HA THR 72 HA THR 72 13.108 -12.610 3.647 524 HB THR 72 HB THR 72 11.956 -14.617 2.960 525 HG1 THR 72 1HG THR 72 10.524 -12.826 1.528 526 1HG2 THR 72 1HG2 THR 72 9.560 -13.665 4.200 527 2HG2 THR 72 2HG2 THR 72 10.924 -12.850 4.964 528 3HG2 THR 72 3HG2 THR 72 10.856 -14.611 4.928 529 H GLN 73 H GLN 73 11.754 -10.772 1.139 530 HA GLN 73 HA GLN 73 12.363 -10.460 -1.106 531 1HB GLN 73 2HB GLN 73 14.926 -11.472 0.137 532 2HB GLN 73 1HB GLN 73 14.837 -10.968 -1.551 533 1HG GLN 73 2HG GLN 73 14.015 -8.750 -0.851 534 2HG GLN 73 1HG GLN 73 14.105 -9.250 0.839 535 1HE2 GLN 73 1HE2 GLN 73 16.652 -10.821 -0.534 536 2HE2 GLN 73 2HE2 GLN 73 17.871 -9.661 -0.312 537 H GLY 74 H GLY 74 11.811 -13.417 0.130 538 1HA GLY 74 2HA GLY 74 10.912 -15.011 -1.646 539 2HA GLY 74 1HA GLY 74 12.479 -14.826 -2.430 540 H THR 75 H THR 75 11.635 -15.295 1.013 541 HA THR 75 HA THR 75 12.790 -17.998 0.977 542 HB THR 75 HB THR 75 14.447 -17.400 2.791 543 HG1 THR 75 1HG THR 75 13.886 -14.777 1.875 544 1HG2 THR 75 1HG2 THR 75 14.991 -15.885 0.236 545 2HG2 THR 75 2HG2 THR 75 14.972 -17.649 0.294 546 3HG2 THR 75 3HG2 THR 75 16.141 -16.747 1.258 547 H GLU 76 H GLU 76 10.354 -17.962 1.568 548 HA GLU 76 HA GLU 76 10.168 -17.989 4.537 549 1HB GLU 76 2HB GLU 76 7.736 -17.049 4.090 550 2HB GLU 76 1HB GLU 76 9.101 -15.944 4.232 551 1HG GLU 76 2HG GLU 76 9.322 -15.807 1.823 552 2HG GLU 76 1HG GLU 76 8.093 -17.053 1.601 553 HA PRO 77 HA PRO 77 8.466 -21.779 2.418 554 1HB PRO 77 2HB PRO 77 9.460 -23.279 4.671 555 2HB PRO 77 1HB PRO 77 10.019 -23.320 2.997 556 1HG PRO 77 2HG PRO 77 11.375 -22.216 5.250 557 2HG PRO 77 1HG PRO 77 11.888 -22.174 3.560 558 1HD PRO 77 2HD PRO 77 10.865 -19.996 5.190 559 2HD PRO 77 1HD PRO 77 11.506 -19.925 3.530 560 H ASN 78 H ASN 78 7.063 -19.855 4.137 561 HA ASN 78 HA ASN 78 4.989 -21.625 5.155 562 1HB ASN 78 2HB ASN 78 5.147 -20.524 7.499 563 2HB ASN 78 1HB ASN 78 6.285 -21.817 7.124 564 1HD2 ASN 78 1HD2 ASN 78 6.056 -18.219 6.862 565 2HD2 ASN 78 2HD2 ASN 78 7.695 -17.947 7.214 566 H GLY 79 H GLY 79 6.350 -18.379 4.868 567 1HA GLY 79 2HA GLY 79 5.169 -16.500 3.964 568 2HA GLY 79 1HA GLY 79 3.649 -17.357 4.224 569 H GLU 80 H GLU 80 6.343 -15.929 6.098 570 HA GLU 80 HA GLU 80 4.325 -14.745 7.928 571 1HB GLU 80 2HB GLU 80 6.536 -16.645 8.713 572 2HB GLU 80 1HB GLU 80 5.906 -15.462 9.859 573 1HG GLU 80 2HG GLU 80 4.147 -17.414 8.351 574 2HG GLU 80 1HG GLU 80 4.785 -17.729 9.965 575 H GLY 81 H GLY 81 5.418 -13.083 6.251 576 1HA GLY 81 2HA GLY 81 7.538 -11.694 7.819 577 2HA GLY 81 1HA GLY 81 7.772 -11.941 6.087 578 H TRP 82 H TRP 82 6.308 -10.887 4.619 579 HA TRP 82 HA TRP 82 5.501 -8.730 3.969 580 1HB TRP 82 2HB TRP 82 3.048 -8.702 5.212 581 2HB TRP 82 1HB TRP 82 3.419 -9.616 3.754 582 HD1 TRP 82 HD TRP 82 4.704 -12.139 4.481 583 HE1 TRP 82 1HE TRP 82 3.745 -13.848 6.157 584 HE3 TRP 82 3HE TRP 82 1.540 -9.114 7.112 585 HZ2 TRP 82 2HZ TRP 82 1.878 -13.922 8.324 586 HZ3 TRP 82 3HZ TRP 82 0.181 -10.030 8.972 587 HH2 TRP 82 HH TRP 82 0.346 -12.428 9.580 588 H GLU 83 H GLU 83 6.739 -7.064 4.920 589 HA GLU 83 HA GLU 83 5.763 -6.104 7.591 590 1HB GLU 83 2HB GLU 83 8.062 -6.708 7.819 591 2HB GLU 83 1HB GLU 83 8.490 -5.940 6.290 592 1HG GLU 83 2HG GLU 83 8.211 -3.760 7.181 593 2HG GLU 83 1HG GLU 83 7.320 -4.358 8.582 594 H TRP 84 H TRP 84 5.164 -3.952 7.757 595 HA TRP 84 HA TRP 84 4.634 -2.544 5.268 596 1HB TRP 84 2HB TRP 84 4.233 -1.150 7.859 597 2HB TRP 84 1HB TRP 84 3.137 -1.307 6.484 598 HD1 TRP 84 HD TRP 84 4.557 -3.504 9.333 599 HE1 TRP 84 1HE TRP 84 2.765 -5.228 9.987 600 HE3 TRP 84 3HE TRP 84 0.937 -2.346 5.927 601 HZ2 TRP 84 2HZ TRP 84 0.138 -6.015 9.179 602 HZ3 TRP 84 3HZ TRP 84 -1.201 -3.598 5.894 603 HH2 TRP 84 HH TRP 84 -1.603 -5.426 7.517 604 H SER 85 H SER 85 6.027 -1.101 4.379 605 HA SER 85 HA SER 85 8.439 -0.365 5.874 606 1HB SER 85 2HB SER 85 8.918 0.961 3.729 607 2HB SER 85 1HB SER 85 8.806 -0.787 3.551 608 HG SER 85 HG SER 85 6.395 -0.082 3.253 609 H SER 86 H SER 86 5.372 0.681 5.934 610 HA SER 86 HA SER 86 6.186 3.438 6.704 611 1HB SER 86 2HB SER 86 4.490 4.411 5.438 612 2HB SER 86 1HB SER 86 4.964 3.078 4.390 613 HG SER 86 HG SER 86 2.701 3.401 6.000 614 H SER 87 H SER 87 4.909 0.563 7.807 615 HA SER 87 HA SER 87 3.118 2.077 9.698 616 1HB SER 87 2HB SER 87 2.305 0.103 7.978 617 2HB SER 87 1HB SER 87 2.577 -0.800 9.465 618 HG SER 87 HG SER 87 0.479 0.518 8.950 619 H ASP 88 H ASP 88 5.066 -0.936 9.508 620 HA ASP 88 HA ASP 88 6.835 -0.693 11.532 621 1HB ASP 88 2HB ASP 88 5.174 0.204 13.084 622 2HB ASP 88 1HB ASP 88 4.128 -1.194 12.822 623 H VAL 89 H VAL 89 4.778 -2.976 12.899 624 HA VAL 89 HA VAL 89 6.038 -5.163 11.288 625 HB VAL 89 HB VAL 89 5.066 -5.205 14.164 626 1HG1 VAL 89 1HG1 VAL 89 4.860 -7.421 13.430 627 2HG1 VAL 89 2HG1 VAL 89 6.513 -7.393 14.042 628 3HG1 VAL 89 3HG1 VAL 89 6.212 -7.280 12.307 629 1HG2 VAL 89 1HG2 VAL 89 7.065 -3.913 14.108 630 2HG2 VAL 89 2HG2 VAL 89 7.803 -4.962 12.897 631 3HG2 VAL 89 3HG2 VAL 89 7.589 -5.537 14.551 632 H MET 90 H MET 90 4.610 -7.254 11.505 633 HA MET 90 HA MET 90 2.106 -6.723 10.225 634 1HB MET 90 2HB MET 90 3.099 -9.242 11.589 635 2HB MET 90 1HB MET 90 1.704 -9.154 10.514 636 1HG MET 90 2HG MET 90 3.119 -8.424 8.670 637 2HG MET 90 1HG MET 90 4.526 -8.373 9.731 638 1HE MET 90 1HE MET 90 6.152 -10.125 9.843 639 2HE MET 90 2HE MET 90 5.741 -11.803 10.190 640 3HE MET 90 3HE MET 90 5.156 -10.523 11.251 641 H ASN 91 H ASN 91 0.976 -5.266 11.705 642 HA ASN 91 HA ASN 91 0.013 -6.591 14.210 643 1HB ASN 91 2HB ASN 91 0.885 -3.953 13.712 644 2HB ASN 91 1HB ASN 91 -0.867 -3.833 13.867 645 1HD2 ASN 91 1HD2 ASN 91 -1.655 -5.428 15.831 646 2HD2 ASN 91 2HD2 ASN 91 -0.782 -5.205 17.269 647 H TYR 92 H TYR 92 -0.778 -6.245 11.041 648 HA TYR 92 HA TYR 92 -3.616 -6.795 11.605 649 1HB TYR 92 2HB TYR 92 -3.554 -4.369 11.205 650 2HB TYR 92 1HB TYR 92 -2.722 -4.640 9.675 651 HD1 TYR 92 1HD TYR 92 -5.713 -6.156 11.395 652 HD2 TYR 92 2HD TYR 92 -4.110 -4.373 7.826 653 HE1 TYR 92 1HE TYR 92 -7.886 -6.482 10.254 654 HE2 TYR 92 2HE TYR 92 -6.289 -4.699 6.690 655 HH TYR 92 HH TYR 92 -9.133 -5.502 8.360 656 H PHE 93 H PHE 93 -4.673 -7.879 9.763 657 HA PHE 93 HA PHE 93 -2.775 -8.838 7.661 658 1HB PHE 93 2HB PHE 93 -3.956 -11.110 7.932 659 2HB PHE 93 1HB PHE 93 -2.792 -10.661 9.179 660 HD1 PHE 93 1HD PHE 93 -3.475 -10.244 11.439 661 HD2 PHE 93 2HD PHE 93 -6.410 -10.826 8.355 662 HE1 PHE 93 1HE PHE 93 -5.250 -10.416 13.161 663 HE2 PHE 93 2HE PHE 93 -8.185 -10.998 10.078 664 HZ PHE 93 HZ PHE 93 -7.606 -10.794 12.480 665 H ALA 94 H ALA 94 -3.748 -9.198 5.628 666 HA ALA 94 HA ALA 94 -6.584 -9.405 5.236 667 1HB ALA 94 1HB ALA 94 -5.904 -6.839 5.868 668 2HB ALA 94 2HB ALA 94 -7.281 -7.265 4.852 669 3HB ALA 94 3HB ALA 94 -5.752 -6.793 4.112 670 H TRP 95 H TRP 95 -3.826 -10.329 4.247 671 HA TRP 95 HA TRP 95 -3.741 -9.555 1.439 672 1HB TRP 95 2HB TRP 95 -2.245 -11.779 1.451 673 2HB TRP 95 1HB TRP 95 -1.638 -10.258 2.109 674 HD1 TRP 95 HD TRP 95 -1.019 -10.204 4.593 675 HE1 TRP 95 1HE TRP 95 -1.221 -11.859 6.557 676 HE3 TRP 95 3HE TRP 95 -3.892 -13.818 2.409 677 HZ2 TRP 95 2HZ TRP 95 -2.441 -14.382 7.129 678 HZ3 TRP 95 3HZ TRP 95 -4.560 -15.834 3.686 679 HH2 TRP 95 HH TRP 95 -3.838 -16.121 6.041 680 H GLU 96 H GLU 96 -4.226 -11.042 -0.362 681 HA GLU 96 HA GLU 96 -6.533 -12.796 0.309 682 1HB GLU 96 2HB GLU 96 -6.727 -11.021 -1.468 683 2HB GLU 96 1HB GLU 96 -5.585 -11.953 -2.435 684 1HG GLU 96 2HG GLU 96 -7.830 -12.556 -3.119 685 2HG GLU 96 1HG GLU 96 -7.144 -13.919 -2.234 686 H ARG 97 H ARG 97 -3.253 -12.918 -0.857 687 HA ARG 97 HA ARG 97 -3.470 -15.893 -0.977 688 1HB ARG 97 2HB ARG 97 -2.064 -14.136 -3.015 689 2HB ARG 97 1HB ARG 97 -1.995 -15.898 -2.973 690 1HG ARG 97 2HG ARG 97 -4.419 -16.031 -3.295 691 2HG ARG 97 1HG ARG 97 -4.538 -14.270 -3.263 692 1HD ARG 97 2HD ARG 97 -2.959 -14.222 -5.238 693 2HD ARG 97 1HD ARG 97 -3.125 -15.976 -5.329 694 HE ARG 97 HE ARG 97 -5.133 -14.021 -6.144 695 1HH1 ARG 97 1HH2 ARG 97 -4.551 -16.700 -7.444 696 2HH1 ARG 97 2HH2 ARG 97 -5.974 -17.598 -7.028 697 1HH2 ARG 97 1HH1 ARG 97 -6.962 -15.390 -4.544 698 2HH2 ARG 97 2HH1 ARG 97 -7.338 -16.856 -5.387 699 H ASN 98 H ASN 98 -1.913 -16.810 0.271 700 HA ASN 98 HA ASN 98 0.135 -15.106 1.474 701 1HB ASN 98 2HB ASN 98 -0.029 -18.103 1.778 702 2HB ASN 98 1HB ASN 98 0.562 -16.911 2.936 703 1HD2 ASN 98 1HD2 ASN 98 -1.273 -18.511 4.059 704 2HD2 ASN 98 2HD2 ASN 98 -2.805 -17.784 4.146 705 HA PRO 99 HA PRO 99 3.317 -15.917 -1.525 706 1HB PRO 99 2HB PRO 99 5.385 -16.136 0.469 707 2HB PRO 99 1HB PRO 99 5.016 -14.763 -0.577 708 1HG PRO 99 2HG PRO 99 4.508 -15.047 2.252 709 2HG PRO 99 1HG PRO 99 4.249 -13.633 1.224 710 1HD PRO 99 2HD PRO 99 2.243 -15.303 2.377 711 2HD PRO 99 1HD PRO 99 2.000 -13.998 1.190 712 H SER 100 H SER 100 2.817 -18.015 1.222 713 HA SER 100 HA SER 100 4.629 -20.111 0.350 714 1HB SER 100 2HB SER 100 3.996 -19.985 2.694 715 2HB SER 100 1HB SER 100 2.291 -20.130 2.281 716 HG SER 100 HG SER 100 2.931 -22.158 2.796 717 H THR 101 H THR 101 1.418 -19.145 -0.502 718 HA THR 101 HA THR 101 0.719 -21.781 -1.626 719 HB THR 101 HB THR 101 -1.364 -20.645 -2.337 720 HG1 THR 101 1HG THR 101 0.043 -18.551 -2.382 721 1HG2 THR 101 1HG2 THR 101 -2.199 -20.104 -0.079 722 2HG2 THR 101 2HG2 THR 101 -0.540 -20.026 0.514 723 3HG2 THR 101 3HG2 THR 101 -1.202 -21.558 -0.055 724 H ILE 102 H ILE 102 2.696 -19.308 -2.579 725 HA ILE 102 HA ILE 102 2.287 -19.985 -5.465 726 HB ILE 102 HB ILE 102 2.928 -17.258 -4.308 727 1HG1 ILE 102 2HG1 ILE 102 0.523 -18.127 -5.930 728 2HG1 ILE 102 1HG1 ILE 102 0.524 -18.092 -4.167 729 1HG2 ILE 102 1HG2 ILE 102 2.726 -18.288 -7.147 730 2HG2 ILE 102 2HG2 ILE 102 4.116 -17.521 -6.380 731 3HG2 ILE 102 3HG2 ILE 102 2.674 -16.573 -6.739 732 1HD1 ILE 102 1HD1 ILE 102 -0.380 -15.998 -5.312 733 2HD1 ILE 102 2HD1 ILE 102 1.272 -15.687 -5.842 734 3HD1 ILE 102 3HD1 ILE 102 0.891 -15.730 -4.120 735 H SER 103 H SER 103 4.263 -19.864 -6.733 736 HA SER 103 HA SER 103 6.576 -20.836 -5.322 737 1HB SER 103 2HB SER 103 6.127 -21.455 -7.659 738 2HB SER 103 1HB SER 103 6.312 -19.774 -8.153 739 HG SER 103 HG SER 103 8.391 -20.046 -8.122 740 H SER 104 H SER 104 6.337 -18.724 -3.857 741 HA SER 104 HA SER 104 7.371 -16.744 -3.136 742 1HB SER 104 2HB SER 104 9.438 -17.220 -5.278 743 2HB SER 104 1HB SER 104 9.650 -16.482 -3.692 744 HG SER 104 HG SER 104 10.021 -18.403 -2.952 745 HA PRO 105 HA PRO 105 5.506 -14.431 -6.691 746 1HB PRO 105 2HB PRO 105 4.490 -12.564 -4.748 747 2HB PRO 105 1HB PRO 105 3.587 -13.725 -5.724 748 1HG PRO 105 2HG PRO 105 4.059 -13.825 -2.918 749 2HG PRO 105 1HG PRO 105 3.255 -15.040 -3.914 750 1HD PRO 105 2HD PRO 105 5.903 -15.153 -2.700 751 2HD PRO 105 1HD PRO 105 5.023 -16.442 -3.557 752 H GLY 106 H GLY 106 5.345 -11.599 -6.278 753 1HA GLY 106 2HA GLY 106 8.082 -10.838 -6.768 754 2HA GLY 106 1HA GLY 106 6.734 -9.719 -6.547 755 H HIS 107 H HIS 107 7.446 -8.310 -4.985 756 HA HIS 107 HA HIS 107 7.953 -9.424 -2.303 757 1HB HIS 107 2HB HIS 107 9.956 -7.430 -3.340 758 2HB HIS 107 1HB HIS 107 10.111 -8.565 -2.000 759 HD1 HIS 107 1HD HIS 107 10.354 -11.147 -2.682 760 HD2 HIS 107 2HD HIS 107 10.818 -8.439 -5.801 761 HE1 HIS 107 1HE HIS 107 11.443 -12.402 -4.588 762 H CYS 108 H CYS 108 6.081 -7.569 -3.917 763 HA CYS 108 HA CYS 108 5.931 -5.482 -1.807 764 1HB CYS 108 2HB CYS 108 6.017 -4.982 -4.786 765 2HB CYS 108 1HB CYS 108 5.368 -3.806 -3.642 766 H ALA 109 H ALA 109 3.772 -4.787 -1.410 767 HA ALA 109 HA ALA 109 1.705 -6.456 -2.784 768 1HB ALA 109 1HB ALA 109 2.251 -6.386 -0.118 769 2HB ALA 109 2HB ALA 109 0.671 -6.795 -0.784 770 3HB ALA 109 3HB ALA 109 0.993 -5.155 -0.223 771 H SER 110 H SER 110 -0.259 -5.506 -3.362 772 HA SER 110 HA SER 110 -0.475 -2.538 -3.244 773 1HB SER 110 2HB SER 110 -1.431 -2.945 -5.726 774 2HB SER 110 1HB SER 110 0.273 -2.609 -5.435 775 HG SER 110 HG SER 110 0.750 -4.614 -5.920 776 H LEU 111 H LEU 111 -2.789 -1.886 -3.826 777 HA LEU 111 HA LEU 111 -4.645 -3.800 -2.570 778 1HB LEU 111 2HB LEU 111 -5.066 -1.000 -3.664 779 2HB LEU 111 1HB LEU 111 -6.298 -1.939 -2.835 780 HG LEU 111 HG LEU 111 -3.803 -1.835 -1.301 781 1HD1 LEU 111 1HD1 LEU 111 -5.152 0.743 -2.122 782 2HD1 LEU 111 2HD1 LEU 111 -3.433 0.353 -2.152 783 3HD1 LEU 111 3HD1 LEU 111 -4.251 0.602 -0.613 784 1HD2 LEU 111 1HD2 LEU 111 -6.546 -0.772 -0.595 785 2HD2 LEU 111 2HD2 LEU 111 -5.303 -1.374 0.502 786 3HD2 LEU 111 3HD2 LEU 111 -6.160 -2.492 -0.560 787 H SER 112 H SER 112 -6.450 -4.692 -3.679 788 HA SER 112 HA SER 112 -6.234 -4.621 -6.670 789 1HB SER 112 2HB SER 112 -7.464 -6.853 -5.049 790 2HB SER 112 1HB SER 112 -6.910 -6.896 -6.720 791 HG SER 112 HG SER 112 -4.775 -6.352 -5.719 792 H ARG 113 H ARG 113 -7.918 -3.570 -7.604 793 HA ARG 113 HA ARG 113 -10.255 -2.732 -6.190 794 1HB ARG 113 2HB ARG 113 -9.597 -1.603 -8.232 795 2HB ARG 113 1HB ARG 113 -9.784 -3.088 -9.163 796 1HG ARG 113 2HG ARG 113 -12.153 -3.090 -8.871 797 2HG ARG 113 1HG ARG 113 -12.069 -1.845 -7.622 798 1HD ARG 113 2HD ARG 113 -11.465 -0.162 -9.203 799 2HD ARG 113 1HD ARG 113 -11.137 -1.357 -10.457 800 HE ARG 113 HE ARG 113 -13.835 -1.704 -9.770 801 1HH1 ARG 113 1HH1 ARG 113 -13.452 1.343 -9.425 802 2HH1 ARG 113 2HH1 ARG 113 -13.958 1.899 -10.985 803 1HH2 ARG 113 1HH2 ARG 113 -13.772 -1.236 -12.457 804 2HH2 ARG 113 2HH2 ARG 113 -14.141 0.440 -12.702 805 H SER 114 H SER 114 -9.449 -5.786 -7.579 806 HA SER 114 HA SER 114 -12.041 -6.771 -8.225 807 1HB SER 114 2HB SER 114 -11.037 -9.020 -7.871 808 2HB SER 114 1HB SER 114 -10.004 -7.981 -8.847 809 HG SER 114 HG SER 114 -8.583 -7.908 -7.273 810 H THR 115 H THR 115 -10.504 -6.172 -5.173 811 HA THR 115 HA THR 115 -12.814 -7.474 -3.773 812 HB THR 115 HB THR 115 -11.264 -7.673 -1.817 813 HG1 THR 115 1HG THR 115 -9.650 -6.342 -3.629 814 1HG2 THR 115 1HG2 THR 115 -11.598 -9.451 -3.676 815 2HG2 THR 115 2HG2 THR 115 -10.208 -9.633 -2.608 816 3HG2 THR 115 3HG2 THR 115 -9.994 -8.970 -4.228 817 H ALA 116 H ALA 116 -12.567 -4.710 -4.871 818 HA ALA 116 HA ALA 116 -13.155 -2.546 -4.184 819 1HB ALA 116 1HB ALA 116 -13.703 -3.629 -1.425 820 2HB ALA 116 2HB ALA 116 -14.773 -4.032 -2.768 821 3HB ALA 116 3HB ALA 116 -14.542 -2.349 -2.299 822 H PHE 117 H PHE 117 -10.418 -3.561 -3.867 823 HA PHE 117 HA PHE 117 -8.386 -2.846 -2.955 824 1HB PHE 117 2HB PHE 117 -10.001 -0.510 -1.894 825 2HB PHE 117 1HB PHE 117 -8.263 -0.559 -2.172 826 HD1 PHE 117 1HD PHE 117 -7.342 -0.567 -4.454 827 HD2 PHE 117 2HD PHE 117 -11.568 -0.278 -3.738 828 HE1 PHE 117 1HE PHE 117 -7.689 0.175 -6.795 829 HE2 PHE 117 2HE PHE 117 -11.914 0.462 -6.079 830 HZ PHE 117 HZ PHE 117 -9.975 0.690 -7.607 831 H LEU 118 H LEU 118 -10.309 -4.497 -1.358 832 HA LEU 118 HA LEU 118 -9.538 -3.672 1.406 833 1HB LEU 118 2HB LEU 118 -11.631 -5.602 0.370 834 2HB LEU 118 1HB LEU 118 -11.249 -5.401 2.079 835 HG LEU 118 HG LEU 118 -12.144 -3.159 0.246 836 1HD1 LEU 118 1HD1 LEU 118 -14.309 -3.335 1.286 837 2HD1 LEU 118 2HD1 LEU 118 -13.724 -4.546 2.427 838 3HD1 LEU 118 3HD1 LEU 118 -13.875 -4.946 0.715 839 1HD2 LEU 118 1HD2 LEU 118 -11.043 -2.050 1.960 840 2HD2 LEU 118 2HD2 LEU 118 -11.320 -3.346 3.123 841 3HD2 LEU 118 3HD2 LEU 118 -12.626 -2.236 2.710 842 H ARG 119 H ARG 119 -8.114 -5.344 -0.913 843 HA ARG 119 HA ARG 119 -6.973 -7.314 1.006 844 1HB ARG 119 2HB ARG 119 -7.279 -9.154 -0.392 845 2HB ARG 119 1HB ARG 119 -8.773 -8.264 -0.654 846 1HG ARG 119 2HG ARG 119 -8.165 -8.620 -2.856 847 2HG ARG 119 1HG ARG 119 -7.344 -7.091 -2.577 848 1HD ARG 119 2HD ARG 119 -5.393 -8.096 -3.113 849 2HD ARG 119 1HD ARG 119 -5.568 -9.151 -1.714 850 HE ARG 119 HE ARG 119 -6.767 -10.753 -3.192 851 1HH1 ARG 119 1HH1 ARG 119 -7.242 -8.585 -5.344 852 2HH1 ARG 119 2HH1 ARG 119 -6.162 -9.135 -6.581 853 1HH2 ARG 119 1HH2 ARG 119 -4.436 -11.290 -4.484 854 2HH2 ARG 119 2HH2 ARG 119 -4.575 -10.667 -6.095 855 H TRP 120 H TRP 120 -4.794 -8.013 0.384 856 HA TRP 120 HA TRP 120 -3.448 -5.991 -1.367 857 1HB TRP 120 2HB TRP 120 -2.104 -7.737 0.698 858 2HB TRP 120 1HB TRP 120 -1.491 -6.261 -0.044 859 HD1 TRP 120 HD TRP 120 -3.794 -4.272 0.322 860 HE1 TRP 120 1HE TRP 120 -4.550 -3.506 2.666 861 HE3 TRP 120 3HE TRP 120 -1.982 -8.125 3.127 862 HZ2 TRP 120 2HZ TRP 120 -4.402 -4.415 5.378 863 HZ3 TRP 120 3HZ TRP 120 -2.301 -8.156 5.580 864 HH2 TRP 120 HH TRP 120 -3.511 -6.311 6.710 865 H LYS 121 H LYS 121 -2.345 -6.701 -3.143 866 HA LYS 121 HA LYS 121 -1.995 -9.663 -3.467 867 1HB LYS 121 2HB LYS 121 -3.698 -8.614 -5.010 868 2HB LYS 121 1HB LYS 121 -2.398 -7.631 -5.681 869 1HG LYS 121 2HG LYS 121 -1.154 -9.740 -6.224 870 2HG LYS 121 1HG LYS 121 -2.560 -10.660 -5.689 871 1HD LYS 121 2HD LYS 121 -3.950 -9.514 -7.385 872 2HD LYS 121 1HD LYS 121 -2.531 -8.620 -7.933 873 1HE LYS 121 2HE LYS 121 -1.414 -10.849 -8.369 874 2HE LYS 121 1HE LYS 121 -2.972 -11.613 -8.056 875 1HZ LYS 121 1HZ LYS 121 -2.070 -10.239 -10.384 876 2HZ LYS 121 2HZ LYS 121 -3.525 -9.581 -9.804 877 3HZ LYS 121 3HZ LYS 121 -3.427 -11.235 -10.181 878 H ASP 122 H ASP 122 -0.019 -10.359 -4.315 879 HA ASP 122 HA ASP 122 2.190 -8.532 -3.886 880 1HB ASP 122 2HB ASP 122 3.615 -10.433 -4.413 881 2HB ASP 122 1HB ASP 122 2.306 -10.976 -3.363 882 H TYR 123 H TYR 123 3.641 -7.724 -5.494 883 HA TYR 123 HA TYR 123 3.112 -8.304 -8.324 884 1HB TYR 123 2HB TYR 123 1.813 -6.102 -7.054 885 2HB TYR 123 1HB TYR 123 3.054 -5.431 -8.109 886 HD1 TYR 123 1HD TYR 123 -0.055 -7.387 -7.955 887 HD2 TYR 123 2HD TYR 123 3.008 -5.826 -10.531 888 HE1 TYR 123 1HE TYR 123 -1.483 -7.846 -9.929 889 HE2 TYR 123 2HE TYR 123 1.578 -6.284 -12.506 890 HH TYR 123 HH TYR 123 -1.684 -6.914 -12.306 891 H ASN 124 H ASN 124 4.766 -7.321 -9.726 892 HA ASN 124 HA ASN 124 7.388 -7.479 -8.697 893 1HB ASN 124 2HB ASN 124 6.517 -5.836 -11.091 894 2HB ASN 124 1HB ASN 124 8.119 -6.515 -10.802 895 1HD2 ASN 124 1HD2 ASN 124 8.072 -9.039 -10.480 896 2HD2 ASN 124 2HD2 ASN 124 7.032 -9.903 -11.505 897 H CYS 125 H CYS 125 8.298 -6.172 -7.211 898 HA CYS 125 HA CYS 125 7.353 -3.733 -6.249 899 1HB CYS 125 2HB CYS 125 10.191 -4.762 -6.441 900 2HB CYS 125 1HB CYS 125 9.751 -3.310 -5.543 901 H ASN 126 H ASN 126 8.502 -4.216 -9.391 902 HA ASN 126 HA ASN 126 9.511 -1.419 -9.593 903 1HB ASN 126 2HB ASN 126 9.604 -3.704 -11.588 904 2HB ASN 126 1HB ASN 126 10.304 -2.105 -11.844 905 1HD2 ASN 126 1HD2 ASN 126 10.555 -2.897 -8.563 906 2HD2 ASN 126 2HD2 ASN 126 12.145 -3.490 -8.569 907 H VAL 127 H VAL 127 6.863 -3.480 -10.756 908 HA VAL 127 HA VAL 127 5.886 -1.793 -12.821 909 HB VAL 127 HB VAL 127 4.491 -3.614 -10.845 910 1HG1 VAL 127 1HG1 VAL 127 2.809 -1.976 -11.258 911 2HG1 VAL 127 2HG1 VAL 127 2.463 -3.282 -12.390 912 3HG1 VAL 127 3HG1 VAL 127 3.271 -1.819 -12.953 913 1HG2 VAL 127 1HG2 VAL 127 4.283 -5.079 -12.702 914 2HG2 VAL 127 2HG2 VAL 127 5.913 -4.422 -12.843 915 3HG2 VAL 127 3HG2 VAL 127 4.617 -3.791 -13.860 916 H ARG 128 H ARG 128 5.067 0.320 -12.696 917 HA ARG 128 HA ARG 128 4.942 1.498 -10.021 918 1HB ARG 128 2HB ARG 128 4.330 2.827 -12.661 919 2HB ARG 128 1HB ARG 128 4.883 3.584 -11.174 920 1HG ARG 128 2HG ARG 128 6.989 2.162 -11.383 921 2HG ARG 128 1HG ARG 128 6.449 1.779 -13.017 922 1HD ARG 128 2HD ARG 128 6.275 4.295 -13.408 923 2HD ARG 128 1HD ARG 128 7.143 4.498 -11.886 924 HE ARG 128 HE ARG 128 8.558 2.673 -13.608 925 1HH1 ARG 128 1HH1 ARG 128 9.584 5.068 -11.947 926 2HH1 ARG 128 2HH1 ARG 128 10.221 6.071 -13.207 927 1HH2 ARG 128 1HH2 ARG 128 8.601 4.364 -15.752 928 2HH2 ARG 128 2HH2 ARG 128 9.665 5.673 -15.361 929 H LEU 129 H LEU 129 3.000 2.479 -9.085 930 HA LEU 129 HA LEU 129 0.529 1.993 -10.716 931 1HB LEU 129 2HB LEU 129 1.203 0.741 -8.062 932 2HB LEU 129 1HB LEU 129 -0.472 1.086 -8.449 933 HG LEU 129 HG LEU 129 0.765 -0.212 -10.716 934 1HD1 LEU 129 1HD1 LEU 129 1.206 -2.411 -9.626 935 2HD1 LEU 129 2HD1 LEU 129 1.037 -1.635 -8.053 936 3HD1 LEU 129 3HD1 LEU 129 2.355 -1.169 -9.127 937 1HD2 LEU 129 1HD2 LEU 129 -1.043 -1.873 -10.226 938 2HD2 LEU 129 2HD2 LEU 129 -1.622 -0.210 -10.287 939 3HD2 LEU 129 3HD2 LEU 129 -1.380 -1.004 -8.731 940 HA PRO 130 HA PRO 130 -0.686 5.806 -8.812 941 1HB PRO 130 2HB PRO 130 -3.328 4.923 -8.028 942 2HB PRO 130 1HB PRO 130 -2.897 5.951 -9.398 943 1HG PRO 130 2HG PRO 130 -3.751 3.193 -9.436 944 2HG PRO 130 1HG PRO 130 -3.414 4.255 -10.804 945 1HD PRO 130 2HD PRO 130 -1.843 2.034 -9.931 946 2HD PRO 130 1HD PRO 130 -1.416 3.211 -11.196 947 H TYR 131 H TYR 131 -0.438 6.437 -6.517 948 HA TYR 131 HA TYR 131 -0.956 4.234 -4.561 949 1HB TYR 131 2HB TYR 131 1.260 4.444 -3.611 950 2HB TYR 131 1HB TYR 131 1.408 4.134 -5.339 951 HD1 TYR 131 1HD TYR 131 1.597 6.192 -6.904 952 HD2 TYR 131 2HD TYR 131 2.298 6.342 -2.670 953 HE1 TYR 131 1HE TYR 131 2.867 8.301 -7.189 954 HE2 TYR 131 2HE TYR 131 3.570 8.451 -2.957 955 HH TYR 131 HH TYR 131 3.890 10.214 -4.458 956 H VAL 132 H VAL 132 -0.355 5.027 -2.255 957 HA VAL 132 HA VAL 132 -1.328 7.855 -1.942 958 HB VAL 132 HB VAL 132 -1.877 5.440 -0.187 959 1HG1 VAL 132 1HG1 VAL 132 -2.666 8.356 0.119 960 2HG1 VAL 132 2HG1 VAL 132 -1.577 7.459 1.175 961 3HG1 VAL 132 3HG1 VAL 132 -3.287 7.038 1.112 962 1HG2 VAL 132 1HG2 VAL 132 -4.122 5.590 -0.928 963 2HG2 VAL 132 2HG2 VAL 132 -3.164 5.783 -2.396 964 3HG2 VAL 132 3HG2 VAL 132 -3.876 7.195 -1.613 965 H CYS 133 H CYS 133 -0.382 8.953 -0.035 966 HA CYS 133 HA CYS 133 2.063 7.615 1.037 967 1HB CYS 133 2HB CYS 133 2.904 8.914 -0.795 968 2HB CYS 133 1HB CYS 133 1.919 10.303 -0.346 969 H LYS 134 H LYS 134 2.297 7.940 3.207 970 HA LYS 134 HA LYS 134 0.517 9.969 4.488 971 1HB LYS 134 2HB LYS 134 0.402 8.591 6.331 972 2HB LYS 134 1HB LYS 134 0.739 7.365 5.112 973 1HG LYS 134 2HG LYS 134 3.213 7.714 5.630 974 2HG LYS 134 1HG LYS 134 2.694 8.664 7.023 975 1HD LYS 134 2HD LYS 134 1.185 6.548 7.520 976 2HD LYS 134 1HD LYS 134 2.374 5.722 6.512 977 1HE LYS 134 2HE LYS 134 4.182 6.426 7.967 978 2HE LYS 134 1HE LYS 134 3.086 7.435 8.911 979 1HZ LYS 134 1HZ LYS 134 1.946 4.934 8.881 980 2HZ LYS 134 2HZ LYS 134 2.743 5.675 10.185 981 3HZ LYS 134 3HZ LYS 134 3.599 4.652 9.134 982 H PHE 135 H PHE 135 1.448 11.347 6.188 983 HA PHE 135 HA PHE 135 4.262 11.441 6.757 984 1HB PHE 135 2HB PHE 135 4.838 13.486 5.421 985 2HB PHE 135 1HB PHE 135 4.573 12.054 4.431 986 HD1 PHE 135 1HD PHE 135 2.597 11.839 3.010 987 HD2 PHE 135 2HD PHE 135 3.200 15.310 5.470 988 HE1 PHE 135 1HE PHE 135 0.816 13.033 1.764 989 HE2 PHE 135 2HE PHE 135 1.419 16.503 4.223 990 HZ PHE 135 HZ PHE 135 0.228 15.364 2.370 991 H THR 136 H THR 136 4.363 12.582 8.635 992 HA THR 136 HA THR 136 2.125 14.411 9.296 993 HB THR 136 HB THR 136 4.405 13.711 11.143 994 HG1 THR 136 1HG THR 136 3.575 11.785 11.487 995 1HG2 THR 136 1HG2 THR 136 2.792 15.407 11.873 996 2HG2 THR 136 2HG2 THR 136 2.601 13.937 12.829 997 3HG2 THR 136 3HG2 THR 136 1.459 14.303 11.536 998 H ASP 137 H ASP 137 4.468 15.499 11.215 999 HA ASP 137 HA ASP 137 5.628 17.405 9.228 1000 1HB ASP 137 2HB ASP 137 4.564 18.253 11.933 1001 2HB ASP 137 1HB ASP 137 5.113 19.292 10.617 Start of MODEL 15 1 1H ARG 1 1HT ARG 1 -6.468 21.698 9.314 2 2H ARG 1 2HT ARG 1 -4.998 21.733 10.165 3 3H ARG 1 3HT ARG 1 -5.392 20.392 9.200 4 HA ARG 1 HA ARG 1 -5.549 22.563 7.511 5 1HB ARG 1 2HB ARG 1 -4.310 23.927 9.082 6 2HB ARG 1 1HB ARG 1 -3.129 22.643 9.336 7 1HG ARG 1 2HG ARG 1 -2.255 22.868 7.130 8 2HG ARG 1 1HG ARG 1 -3.623 23.851 6.610 9 1HD ARG 1 2HD ARG 1 -2.884 25.739 7.803 10 2HD ARG 1 1HD ARG 1 -1.845 24.781 8.858 11 HE ARG 1 HE ARG 1 -0.179 25.321 7.285 12 1HH1 ARG 1 1HH2 ARG 1 -1.952 26.907 5.467 13 2HH1 ARG 1 2HH2 ARG 1 -1.856 26.007 3.990 14 1HH2 ARG 1 1HH1 ARG 1 -0.576 23.159 5.498 15 2HH2 ARG 1 2HH1 ARG 1 -1.077 23.884 4.008 16 H CYS 2 H CYS 2 -5.559 20.959 5.960 17 HA CYS 2 HA CYS 2 -2.985 19.667 5.406 18 1HB CYS 2 2HB CYS 2 -5.235 18.260 6.578 19 2HB CYS 2 1HB CYS 2 -4.857 17.594 4.990 20 HA PRO 3 HA PRO 3 -4.043 20.432 1.199 21 1HB PRO 3 2HB PRO 3 -3.560 17.766 0.225 22 2HB PRO 3 1HB PRO 3 -2.505 19.176 0.118 23 1HG PRO 3 2HG PRO 3 -2.238 16.862 1.829 24 2HG PRO 3 1HG PRO 3 -1.118 18.213 1.622 25 1HD PRO 3 2HD PRO 3 -2.727 17.669 3.909 26 2HD PRO 3 1HD PRO 3 -1.761 19.133 3.609 27 H LYS 4 H LYS 4 -5.631 19.858 -0.503 28 HA LYS 4 HA LYS 4 -8.096 18.842 0.624 29 1HB LYS 4 2HB LYS 4 -7.432 19.706 -2.201 30 2HB LYS 4 1HB LYS 4 -9.054 19.394 -1.582 31 1HG LYS 4 2HG LYS 4 -8.971 21.248 -0.107 32 2HG LYS 4 1HG LYS 4 -7.223 21.405 -0.268 33 1HD LYS 4 2HD LYS 4 -9.132 21.787 -2.590 34 2HD LYS 4 1HD LYS 4 -8.597 23.116 -1.563 35 1HE LYS 4 2HE LYS 4 -6.186 22.116 -2.129 36 2HE LYS 4 1HE LYS 4 -7.037 21.509 -3.550 37 1HZ LYS 4 1HZ LYS 4 -6.884 23.517 -4.426 38 2HZ LYS 4 2HZ LYS 4 -6.142 24.120 -3.021 39 3HZ LYS 4 3HZ LYS 4 -7.834 24.144 -3.168 40 H GLY 5 H GLY 5 -9.195 16.950 -0.091 41 1HA GLY 5 2HA GLY 5 -9.387 14.802 -1.057 42 2HA GLY 5 1HA GLY 5 -7.982 15.180 -2.065 43 H SER 6 H SER 6 -6.886 16.110 0.753 44 HA SER 6 HA SER 6 -5.543 13.509 1.263 45 1HB SER 6 2HB SER 6 -3.915 14.739 2.457 46 2HB SER 6 1HB SER 6 -4.372 15.823 1.147 47 HG SER 6 HG SER 6 -4.510 16.258 3.743 48 H LYS 7 H LYS 7 -5.720 12.379 3.242 49 HA LYS 7 HA LYS 7 -7.729 13.455 5.193 50 1HB LYS 7 2HB LYS 7 -7.475 10.554 4.336 51 2HB LYS 7 1HB LYS 7 -8.667 11.220 5.451 52 1HG LYS 7 2HG LYS 7 -8.452 12.290 2.641 53 2HG LYS 7 1HG LYS 7 -9.361 10.817 2.965 54 1HD LYS 7 2HD LYS 7 -11.019 11.920 4.121 55 2HD LYS 7 1HD LYS 7 -9.917 13.144 4.749 56 1HE LYS 7 2HE LYS 7 -11.441 14.159 3.126 57 2HE LYS 7 1HE LYS 7 -9.799 14.166 2.484 58 1HZ LYS 7 1HZ LYS 7 -10.605 11.843 1.560 59 2HZ LYS 7 2HZ LYS 7 -10.873 13.291 0.713 60 3HZ LYS 7 3HZ LYS 7 -12.117 12.606 1.645 61 H ALA 8 H ALA 8 -7.099 13.278 7.322 62 HA ALA 8 HA ALA 8 -4.388 12.238 7.826 63 1HB ALA 8 1HB ALA 8 -6.380 13.633 9.634 64 2HB ALA 8 2HB ALA 8 -4.990 14.371 8.838 65 3HB ALA 8 3HB ALA 8 -4.745 13.175 10.112 66 H TYR 9 H TYR 9 -3.922 10.622 9.395 67 HA TYR 9 HA TYR 9 -6.060 9.142 10.709 68 1HB TYR 9 2HB TYR 9 -6.079 8.338 8.275 69 2HB TYR 9 1HB TYR 9 -4.487 7.652 8.597 70 HD1 TYR 9 1HD TYR 9 -8.081 7.459 9.381 71 HD2 TYR 9 2HD TYR 9 -4.201 5.775 10.132 72 HE1 TYR 9 1HE TYR 9 -9.142 5.487 10.445 73 HE2 TYR 9 2HE TYR 9 -5.264 3.803 11.197 74 HH TYR 9 HH TYR 9 -7.331 2.649 11.272 75 H GLY 10 H GLY 10 -5.195 7.925 12.409 76 1HA GLY 10 2HA GLY 10 -3.555 7.144 13.899 77 2HA GLY 10 1HA GLY 10 -2.491 6.974 12.500 78 H SER 11 H SER 11 -1.557 9.115 11.669 79 HA SER 11 HA SER 11 -1.492 11.443 13.321 80 1HB SER 11 2HB SER 11 -0.338 10.217 14.995 81 2HB SER 11 1HB SER 11 0.656 9.378 13.810 82 HG SER 11 HG SER 11 0.730 12.112 14.556 83 H HIS 12 H HIS 12 -1.501 10.667 10.475 84 HA HIS 12 HA HIS 12 0.673 12.444 9.598 85 1HB HIS 12 2HB HIS 12 0.331 9.652 8.457 86 2HB HIS 12 1HB HIS 12 1.504 10.858 7.930 87 HD1 HIS 12 1HD HIS 12 3.655 11.063 9.256 88 HD2 HIS 12 2HD HIS 12 0.857 8.608 11.130 89 HE1 HIS 12 1HE HIS 12 4.851 9.972 11.203 90 H CYS 13 H CYS 13 0.199 13.362 7.510 91 HA CYS 13 HA CYS 13 -2.667 13.263 6.839 92 1HB CYS 13 2HB CYS 13 -1.007 15.344 6.871 93 2HB CYS 13 1HB CYS 13 -0.700 14.827 5.214 94 H TYR 14 H TYR 14 -3.469 11.988 5.235 95 HA TYR 14 HA TYR 14 -1.516 10.597 3.483 96 1HB TYR 14 2HB TYR 14 -4.418 10.006 4.110 97 2HB TYR 14 1HB TYR 14 -3.426 9.060 3.002 98 HD1 TYR 14 1HD TYR 14 -3.350 10.411 6.507 99 HD2 TYR 14 2HD TYR 14 -2.233 7.231 3.843 100 HE1 TYR 14 1HE TYR 14 -2.430 9.135 8.415 101 HE2 TYR 14 2HE TYR 14 -1.312 5.955 5.762 102 HH TYR 14 HH TYR 14 -1.431 7.275 9.073 103 H ALA 15 H ALA 15 -1.666 10.691 1.239 104 HA ALA 15 HA ALA 15 -3.818 12.378 0.061 105 1HB ALA 15 1HB ALA 15 -1.901 13.879 0.431 106 2HB ALA 15 2HB ALA 15 -2.138 13.598 -1.293 107 3HB ALA 15 3HB ALA 15 -0.848 12.759 -0.431 108 H LEU 16 H LEU 16 -4.496 11.609 -1.909 109 HA LEU 16 HA LEU 16 -3.182 9.133 -2.899 110 1HB LEU 16 2HB LEU 16 -5.538 8.876 -2.559 111 2HB LEU 16 1HB LEU 16 -5.891 10.395 -3.376 112 HG LEU 16 HG LEU 16 -5.119 9.448 -5.511 113 1HD1 LEU 16 1HD1 LEU 16 -4.490 7.066 -3.765 114 2HD1 LEU 16 2HD1 LEU 16 -3.423 7.906 -4.886 115 3HD1 LEU 16 3HD1 LEU 16 -4.730 6.900 -5.502 116 1HD2 LEU 16 1HD2 LEU 16 -7.450 9.145 -5.111 117 2HD2 LEU 16 2HD2 LEU 16 -7.157 7.855 -3.948 118 3HD2 LEU 16 3HD2 LEU 16 -6.865 7.577 -5.664 119 H PHE 17 H PHE 17 -2.114 9.091 -4.843 120 HA PHE 17 HA PHE 17 -2.313 11.493 -6.604 121 1HB PHE 17 2HB PHE 17 0.100 9.922 -5.689 122 2HB PHE 17 1HB PHE 17 0.130 10.825 -7.202 123 HD1 PHE 17 1HD PHE 17 0.308 11.029 -3.593 124 HD2 PHE 17 2HD PHE 17 -0.382 13.309 -7.167 125 HE1 PHE 17 1HE PHE 17 0.735 13.125 -2.338 126 HE2 PHE 17 2HE PHE 17 0.045 15.405 -5.913 127 HZ PHE 17 HZ PHE 17 0.603 15.313 -3.498 128 H LEU 18 H LEU 18 -3.239 10.852 -8.471 129 HA LEU 18 HA LEU 18 -3.466 8.061 -9.201 130 1HB LEU 18 2HB LEU 18 -3.922 10.362 -11.103 131 2HB LEU 18 1HB LEU 18 -4.762 8.813 -11.027 132 HG LEU 18 HG LEU 18 -4.972 11.103 -9.056 133 1HD1 LEU 18 1HD1 LEU 18 -7.044 9.706 -10.775 134 2HD1 LEU 18 2HD1 LEU 18 -6.312 11.265 -11.150 135 3HD1 LEU 18 3HD1 LEU 18 -7.327 11.088 -9.719 136 1HD2 LEU 18 1HD2 LEU 18 -4.972 9.090 -7.744 137 2HD2 LEU 18 2HD2 LEU 18 -5.984 8.249 -8.916 138 3HD2 LEU 18 3HD2 LEU 18 -6.661 9.553 -7.940 139 H SER 19 H SER 19 -0.835 9.751 -9.013 140 HA SER 19 HA SER 19 0.223 9.285 -11.733 141 1HB SER 19 2HB SER 19 2.271 10.002 -9.843 142 2HB SER 19 1HB SER 19 1.672 10.909 -11.228 143 HG SER 19 HG SER 19 -0.216 11.262 -9.648 144 HA PRO 20 HA PRO 20 1.494 5.155 -10.470 145 1HB PRO 20 2HB PRO 20 3.155 4.976 -12.802 146 2HB PRO 20 1HB PRO 20 1.570 4.247 -12.536 147 1HG PRO 20 2HG PRO 20 2.238 6.444 -14.259 148 2HG PRO 20 1HG PRO 20 0.654 5.707 -13.998 149 1HD PRO 20 2HD PRO 20 1.587 8.279 -13.107 150 2HD PRO 20 1HD PRO 20 -0.015 7.539 -12.852 151 H LYS 21 H LYS 21 3.409 4.240 -9.535 152 HA LYS 21 HA LYS 21 6.017 5.482 -9.976 153 1HB LYS 21 2HB LYS 21 4.441 6.026 -7.465 154 2HB LYS 21 1HB LYS 21 6.201 5.961 -7.404 155 1HG LYS 21 2HG LYS 21 6.062 7.618 -9.444 156 2HG LYS 21 1HG LYS 21 4.427 7.912 -8.854 157 1HD LYS 21 2HD LYS 21 5.320 8.486 -6.632 158 2HD LYS 21 1HD LYS 21 6.959 8.182 -7.209 159 1HE LYS 21 2HE LYS 21 5.118 10.192 -8.520 160 2HE LYS 21 1HE LYS 21 6.226 10.624 -7.218 161 1HZ LYS 21 1HZ LYS 21 7.080 9.273 -9.716 162 2HZ LYS 21 2HZ LYS 21 8.073 9.954 -8.519 163 3HZ LYS 21 3HZ LYS 21 7.117 10.955 -9.505 164 H SER 22 H SER 22 7.500 3.860 -9.741 165 HA SER 22 HA SER 22 6.917 1.211 -9.094 166 1HB SER 22 2HB SER 22 9.526 2.631 -8.516 167 2HB SER 22 1HB SER 22 9.309 0.896 -8.707 168 HG SER 22 HG SER 22 8.745 2.881 -10.662 169 H TRP 23 H TRP 23 7.044 -0.036 -7.149 170 HA TRP 23 HA TRP 23 6.128 1.247 -4.773 171 1HB TRP 23 2HB TRP 23 5.765 -1.133 -5.064 172 2HB TRP 23 1HB TRP 23 7.498 -1.431 -5.175 173 HD1 TRP 23 HD TRP 23 4.701 -1.019 -2.720 174 HE1 TRP 23 1HE TRP 23 5.607 -1.247 -0.316 175 HE3 TRP 23 3HE TRP 23 9.720 -0.906 -3.655 176 HZ2 TRP 23 2HZ TRP 23 8.128 -1.366 1.030 177 HZ3 TRP 23 3HZ TRP 23 11.350 -1.078 -1.795 178 HH2 TRP 23 HH TRP 23 10.561 -1.307 0.543 179 H THR 24 H THR 24 9.261 0.827 -6.130 180 HA THR 24 HA THR 24 10.640 1.466 -3.590 181 HB THR 24 HB THR 24 11.500 -0.214 -5.323 182 HG1 THR 24 1HG THR 24 13.523 0.270 -4.733 183 1HG2 THR 24 1HG2 THR 24 12.469 2.261 -6.749 184 2HG2 THR 24 2HG2 THR 24 10.992 1.426 -7.229 185 3HG2 THR 24 3HG2 THR 24 12.538 0.585 -7.296 186 H ASP 25 H ASP 25 9.381 2.996 -6.362 187 HA ASP 25 HA ASP 25 11.092 5.384 -6.154 188 1HB ASP 25 2HB ASP 25 10.398 4.727 -8.382 189 2HB ASP 25 1HB ASP 25 8.701 4.729 -7.897 190 H ALA 26 H ALA 26 7.700 4.458 -5.515 191 HA ALA 26 HA ALA 26 7.036 7.116 -4.530 192 1HB ALA 26 1HB ALA 26 5.166 5.902 -5.293 193 2HB ALA 26 2HB ALA 26 5.047 5.760 -3.544 194 3HB ALA 26 3HB ALA 26 5.690 4.420 -4.497 195 H ASP 27 H ASP 27 8.266 4.093 -3.289 196 HA ASP 27 HA ASP 27 7.904 4.580 -0.503 197 1HB ASP 27 2HB ASP 27 8.560 2.393 -1.288 198 2HB ASP 27 1HB ASP 27 10.011 3.049 -2.046 199 H LEU 28 H LEU 28 10.585 5.353 -2.713 200 HA LEU 28 HA LEU 28 12.138 6.702 -0.665 201 1HB LEU 28 2HB LEU 28 12.355 6.195 -3.576 202 2HB LEU 28 1HB LEU 28 13.119 7.687 -3.029 203 HG LEU 28 HG LEU 28 14.324 6.366 -1.273 204 1HD1 LEU 28 1HD1 LEU 28 13.297 3.963 -2.809 205 2HD1 LEU 28 2HD1 LEU 28 12.638 4.486 -1.260 206 3HD1 LEU 28 3HD1 LEU 28 14.314 3.950 -1.370 207 1HD2 LEU 28 1HD2 LEU 28 15.289 6.894 -3.547 208 2HD2 LEU 28 2HD2 LEU 28 14.768 5.293 -4.073 209 3HD2 LEU 28 3HD2 LEU 28 15.969 5.452 -2.791 210 H ALA 29 H ALA 29 9.841 7.753 -3.155 211 HA ALA 29 HA ALA 29 10.310 10.574 -2.754 212 1HB ALA 29 1HB ALA 29 8.333 10.917 -4.078 213 2HB ALA 29 2HB ALA 29 7.779 9.271 -3.769 214 3HB ALA 29 3HB ALA 29 9.204 9.550 -4.771 215 H CYS 30 H CYS 30 7.528 8.525 -1.735 216 HA CYS 30 HA CYS 30 6.375 10.514 -0.062 217 1HB CYS 30 2HB CYS 30 5.196 8.443 -0.759 218 2HB CYS 30 1HB CYS 30 6.275 7.498 0.264 219 H GLN 31 H GLN 31 9.222 8.642 0.268 220 HA GLN 31 HA GLN 31 9.326 8.761 3.185 221 1HB GLN 31 2HB GLN 31 10.525 6.949 2.164 222 2HB GLN 31 1HB GLN 31 11.371 8.044 1.073 223 1HG GLN 31 2HG GLN 31 12.677 8.962 2.838 224 2HG GLN 31 1HG GLN 31 11.637 8.255 4.076 225 1HE2 GLN 31 1HE2 GLN 31 11.507 5.687 3.839 226 2HE2 GLN 31 2HE2 GLN 31 12.993 4.915 3.559 227 H LYS 32 H LYS 32 10.431 10.696 0.473 228 HA LYS 32 HA LYS 32 12.260 12.326 1.941 229 1HB LYS 32 2HB LYS 32 12.457 13.571 0.004 230 2HB LYS 32 1HB LYS 32 11.748 12.107 -0.671 231 1HG LYS 32 2HG LYS 32 9.465 13.241 -0.226 232 2HG LYS 32 1HG LYS 32 10.392 14.728 -0.040 233 1HD LYS 32 2HD LYS 32 11.401 14.328 -2.291 234 2HD LYS 32 1HD LYS 32 10.342 12.930 -2.479 235 1HE LYS 32 2HE LYS 32 8.381 14.283 -2.451 236 2HE LYS 32 1HE LYS 32 9.269 15.687 -1.859 237 1HZ LYS 32 1HZ LYS 32 9.708 16.272 -3.932 238 2HZ LYS 32 2HZ LYS 32 8.782 14.965 -4.501 239 3HZ LYS 32 3HZ LYS 32 10.452 14.778 -4.243 240 H ARG 33 H ARG 33 9.074 11.889 2.475 241 HA ARG 33 HA ARG 33 8.442 14.714 3.106 242 1HB ARG 33 2HB ARG 33 6.894 12.203 2.728 243 2HB ARG 33 1HB ARG 33 6.227 13.376 3.854 244 1HG ARG 33 2HG ARG 33 6.112 15.070 2.178 245 2HG ARG 33 1HG ARG 33 7.139 14.150 1.079 246 1HD ARG 33 2HD ARG 33 5.356 12.386 0.985 247 2HD ARG 33 1HD ARG 33 4.321 13.443 1.945 248 HE ARG 33 HE ARG 33 4.483 13.639 -0.814 249 1HH1 ARG 33 1HH1 ARG 33 3.473 15.582 1.562 250 2HH1 ARG 33 2HH1 ARG 33 3.965 17.089 0.862 251 1HH2 ARG 33 1HH2 ARG 33 5.907 15.614 -1.602 252 2HH2 ARG 33 2HH2 ARG 33 5.343 17.106 -0.928 253 HA PRO 34 HA PRO 34 9.245 14.662 7.417 254 1HB PRO 34 2HB PRO 34 6.504 14.992 8.281 255 2HB PRO 34 1HB PRO 34 7.787 16.203 8.218 256 1HG PRO 34 2HG PRO 34 5.543 15.807 6.387 257 2HG PRO 34 1HG PRO 34 6.638 17.187 6.522 258 1HD PRO 34 2HD PRO 34 6.619 15.391 4.399 259 2HD PRO 34 1HD PRO 34 8.007 16.413 4.835 260 H SER 35 H SER 35 9.742 12.358 7.287 261 HA SER 35 HA SER 35 9.527 10.159 8.029 262 1HB SER 35 2HB SER 35 8.672 11.519 10.104 263 2HB SER 35 1HB SER 35 7.083 10.952 9.599 264 HG SER 35 HG SER 35 9.198 9.586 10.717 265 H GLY 36 H GLY 36 7.771 11.492 5.827 266 1HA GLY 36 2HA GLY 36 5.350 9.930 5.748 267 2HA GLY 36 1HA GLY 36 6.057 10.789 4.380 268 H ASN 37 H ASN 37 5.043 8.512 3.629 269 HA ASN 37 HA ASN 37 6.982 6.992 2.370 270 1HB ASN 37 2HB ASN 37 6.762 6.303 5.240 271 2HB ASN 37 1HB ASN 37 6.613 4.919 4.162 272 1HD2 ASN 37 1HD2 ASN 37 8.399 4.890 2.347 273 2HD2 ASN 37 2HD2 ASN 37 9.965 5.320 2.841 274 H LEU 38 H LEU 38 5.961 5.348 1.109 275 HA LEU 38 HA LEU 38 3.437 5.352 0.298 276 1HB LEU 38 2HB LEU 38 5.003 2.914 1.118 277 2HB LEU 38 1HB LEU 38 3.451 2.783 0.299 278 HG LEU 38 HG LEU 38 5.698 4.471 -0.797 279 1HD1 LEU 38 1HD1 LEU 38 6.416 2.066 -0.489 280 2HD1 LEU 38 2HD1 LEU 38 6.400 2.610 -2.166 281 3HD1 LEU 38 3HD1 LEU 38 5.090 1.601 -1.554 282 1HD2 LEU 38 1HD2 LEU 38 3.753 5.021 -1.936 283 2HD2 LEU 38 2HD2 LEU 38 3.070 3.405 -1.768 284 3HD2 LEU 38 3HD2 LEU 38 4.358 3.698 -2.929 285 H VAL 39 H VAL 39 1.386 5.122 1.063 286 HA VAL 39 HA VAL 39 0.557 5.461 3.620 287 HB VAL 39 HB VAL 39 -1.116 5.406 1.974 288 1HG1 VAL 39 1HG1 VAL 39 -0.135 2.603 1.383 289 2HG1 VAL 39 2HG1 VAL 39 -0.051 4.011 0.324 290 3HG1 VAL 39 3HG1 VAL 39 -1.613 3.280 0.696 291 1HG2 VAL 39 1HG2 VAL 39 -1.631 2.772 3.361 292 2HG2 VAL 39 2HG2 VAL 39 -2.795 4.015 2.903 293 3HG2 VAL 39 3HG2 VAL 39 -1.685 4.298 4.241 294 H SER 40 H SER 40 -0.026 4.202 5.412 295 HA SER 40 HA SER 40 1.329 1.535 5.577 296 1HB SER 40 2HB SER 40 1.023 2.075 8.130 297 2HB SER 40 1HB SER 40 2.312 2.870 7.231 298 HG SER 40 HG SER 40 -0.052 4.188 7.019 299 H VAL 41 H VAL 41 0.162 -0.003 7.183 300 HA VAL 41 HA VAL 41 -2.741 0.434 7.426 301 HB VAL 41 HB VAL 41 -2.144 -2.162 6.121 302 1HG1 VAL 41 1HG1 VAL 41 -4.426 -1.424 6.640 303 2HG1 VAL 41 2HG1 VAL 41 -4.210 -1.585 4.898 304 3HG1 VAL 41 3HG1 VAL 41 -4.198 0.013 5.644 305 1HG2 VAL 41 1HG2 VAL 41 -2.079 0.380 4.466 306 2HG2 VAL 41 2HG2 VAL 41 -1.919 -1.273 3.881 307 3HG2 VAL 41 3HG2 VAL 41 -0.643 -0.564 4.866 308 H LEU 42 H LEU 42 -2.377 0.164 9.706 309 HA LEU 42 HA LEU 42 -1.469 -2.567 10.529 310 1HB LEU 42 2HB LEU 42 -1.301 0.102 11.917 311 2HB LEU 42 1HB LEU 42 -1.116 -1.415 12.796 312 HG LEU 42 HG LEU 42 0.535 -0.556 10.411 313 1HD1 LEU 42 1HD1 LEU 42 0.709 0.245 13.111 314 2HD1 LEU 42 2HD1 LEU 42 1.940 0.448 11.873 315 3HD1 LEU 42 3HD1 LEU 42 1.967 -0.974 12.911 316 1HD2 LEU 42 1HD2 LEU 42 0.214 -3.110 11.883 317 2HD2 LEU 42 2HD2 LEU 42 1.887 -2.605 11.663 318 3HD2 LEU 42 3HD2 LEU 42 0.839 -2.820 10.263 319 H SER 43 H SER 43 -4.327 -1.232 9.941 320 HA SER 43 HA SER 43 -5.574 -2.667 12.224 321 1HB SER 43 2HB SER 43 -5.339 -0.237 12.855 322 2HB SER 43 1HB SER 43 -6.388 0.158 11.496 323 HG SER 43 HG SER 43 -7.024 -0.761 13.949 324 H GLY 44 H GLY 44 -7.672 -3.426 11.781 325 1HA GLY 44 2HA GLY 44 -8.290 -3.945 9.032 326 2HA GLY 44 1HA GLY 44 -9.382 -4.234 10.390 327 H ALA 45 H ALA 45 -8.985 -1.304 11.152 328 HA ALA 45 HA ALA 45 -11.234 -0.289 9.567 329 1HB ALA 45 1HB ALA 45 -9.571 0.978 11.769 330 2HB ALA 45 2HB ALA 45 -11.155 0.224 11.956 331 3HB ALA 45 3HB ALA 45 -10.994 1.720 11.037 332 H GLU 46 H GLU 46 -7.761 0.283 9.893 333 HA GLU 46 HA GLU 46 -7.693 2.580 8.139 334 1HB GLU 46 2HB GLU 46 -5.880 1.944 9.785 335 2HB GLU 46 1HB GLU 46 -5.450 0.620 8.703 336 1HG GLU 46 2HG GLU 46 -4.890 2.141 6.927 337 2HG GLU 46 1HG GLU 46 -5.566 3.510 7.811 338 H GLY 47 H GLY 47 -7.176 -0.915 7.683 339 1HA GLY 47 2HA GLY 47 -6.425 -0.870 4.956 340 2HA GLY 47 1HA GLY 47 -7.297 -2.203 5.719 341 H SER 48 H SER 48 -9.553 -0.457 6.490 342 HA SER 48 HA SER 48 -10.996 -0.567 3.925 343 1HB SER 48 2HB SER 48 -11.973 -1.331 6.156 344 2HB SER 48 1HB SER 48 -12.049 0.370 6.606 345 HG SER 48 HG SER 48 -13.058 -0.236 4.111 346 H PHE 49 H PHE 49 -9.804 1.821 6.235 347 HA PHE 49 HA PHE 49 -11.093 4.110 5.102 348 1HB PHE 49 2HB PHE 49 -9.822 3.934 7.334 349 2HB PHE 49 1HB PHE 49 -8.352 4.135 6.381 350 HD1 PHE 49 1HD PHE 49 -7.629 6.285 5.752 351 HD2 PHE 49 2HD PHE 49 -11.691 5.700 7.021 352 HE1 PHE 49 1HE PHE 49 -7.999 8.737 5.702 353 HE2 PHE 49 2HE PHE 49 -12.061 8.151 6.970 354 HZ PHE 49 HZ PHE 49 -10.214 9.671 6.310 355 H VAL 50 H VAL 50 -7.893 2.642 4.499 356 HA VAL 50 HA VAL 50 -7.095 4.526 2.494 357 HB VAL 50 HB VAL 50 -6.286 1.611 2.725 358 1HG1 VAL 50 1HG1 VAL 50 -4.214 2.433 1.619 359 2HG1 VAL 50 2HG1 VAL 50 -4.955 4.026 1.461 360 3HG1 VAL 50 3HG1 VAL 50 -5.641 2.645 0.603 361 1HG2 VAL 50 1HG2 VAL 50 -4.903 4.040 3.897 362 2HG2 VAL 50 2HG2 VAL 50 -4.518 2.343 4.184 363 3HG2 VAL 50 3HG2 VAL 50 -6.009 3.031 4.827 364 H SER 51 H SER 51 -8.825 1.423 2.336 365 HA SER 51 HA SER 51 -8.958 1.196 -0.493 366 1HB SER 51 2HB SER 51 -9.675 -0.703 0.707 367 2HB SER 51 1HB SER 51 -10.732 0.244 1.751 368 HG SER 51 HG SER 51 -12.067 0.611 -0.046 369 H SER 52 H SER 52 -11.048 2.930 1.805 370 HA SER 52 HA SER 52 -12.931 3.790 -0.226 371 1HB SER 52 2HB SER 52 -13.674 5.398 1.565 372 2HB SER 52 1HB SER 52 -13.655 3.715 2.081 373 HG SER 52 HG SER 52 -11.291 5.111 2.413 374 H LEU 53 H LEU 53 -9.846 4.924 0.895 375 HA LEU 53 HA LEU 53 -10.163 7.638 -0.138 376 1HB LEU 53 2HB LEU 53 -8.595 7.514 1.605 377 2HB LEU 53 1HB LEU 53 -7.908 6.009 1.008 378 HG LEU 53 HG LEU 53 -6.973 7.273 -0.952 379 1HD1 LEU 53 1HD1 LEU 53 -8.594 9.164 -0.869 380 2HD1 LEU 53 2HD1 LEU 53 -6.926 9.732 -0.818 381 3HD1 LEU 53 3HD1 LEU 53 -7.887 9.683 0.659 382 1HD2 LEU 53 1HD2 LEU 53 -6.151 8.400 1.742 383 2HD2 LEU 53 2HD2 LEU 53 -5.143 8.262 0.301 384 3HD2 LEU 53 3HD2 LEU 53 -5.675 6.809 1.149 385 H VAL 54 H VAL 54 -9.175 4.542 -1.379 386 HA VAL 54 HA VAL 54 -8.376 5.865 -3.945 387 HB VAL 54 HB VAL 54 -6.860 4.006 -4.343 388 1HG1 VAL 54 1HG1 VAL 54 -6.266 5.978 -2.770 389 2HG1 VAL 54 2HG1 VAL 54 -5.221 4.558 -2.728 390 3HG1 VAL 54 3HG1 VAL 54 -6.425 4.805 -1.464 391 1HG2 VAL 54 1HG2 VAL 54 -6.550 2.389 -2.322 392 2HG2 VAL 54 2HG2 VAL 54 -7.915 2.113 -3.404 393 3HG2 VAL 54 3HG2 VAL 54 -8.167 2.911 -1.853 394 H LYS 55 H LYS 55 -11.010 4.659 -2.784 395 HA LYS 55 HA LYS 55 -11.600 2.360 -4.430 396 1HB LYS 55 2HB LYS 55 -12.899 2.907 -2.395 397 2HB LYS 55 1HB LYS 55 -13.493 4.372 -3.173 398 1HG LYS 55 2HG LYS 55 -14.734 3.155 -4.783 399 2HG LYS 55 1HG LYS 55 -13.868 1.657 -4.440 400 1HD LYS 55 2HD LYS 55 -15.404 2.961 -2.216 401 2HD LYS 55 1HD LYS 55 -16.298 2.070 -3.447 402 1HE LYS 55 2HE LYS 55 -13.893 0.835 -2.112 403 2HE LYS 55 1HE LYS 55 -15.479 0.776 -1.342 404 1HZ LYS 55 1HZ LYS 55 -15.225 -0.001 -4.162 405 2HZ LYS 55 2HZ LYS 55 -16.341 -0.528 -2.995 406 3HZ LYS 55 3HZ LYS 55 -14.741 -1.098 -2.962 407 H SER 56 H SER 56 -11.710 5.815 -4.933 408 HA SER 56 HA SER 56 -13.112 5.461 -7.537 409 1HB SER 56 2HB SER 56 -13.441 7.823 -7.527 410 2HB SER 56 1HB SER 56 -13.729 7.315 -5.865 411 HG SER 56 HG SER 56 -12.108 9.149 -6.573 412 H ILE 57 H ILE 57 -10.501 4.392 -7.221 413 HA ILE 57 HA ILE 57 -8.369 6.016 -8.016 414 HB ILE 57 HB ILE 57 -7.727 3.884 -7.393 415 1HG1 ILE 57 2HG1 ILE 57 -6.807 2.709 -9.287 416 2HG1 ILE 57 1HG1 ILE 57 -7.997 3.418 -10.373 417 1HG2 ILE 57 1HG2 ILE 57 -8.930 1.831 -8.422 418 2HG2 ILE 57 2HG2 ILE 57 -10.162 2.987 -8.919 419 3HG2 ILE 57 3HG2 ILE 57 -9.791 2.777 -7.212 420 1HD1 ILE 57 1HD1 ILE 57 -6.797 5.335 -10.607 421 2HD1 ILE 57 2HD1 ILE 57 -5.458 4.409 -9.941 422 3HD1 ILE 57 3HD1 ILE 57 -6.431 5.417 -8.886 423 H GLY 58 H GLY 58 -10.341 3.959 -10.205 424 1HA GLY 58 2HA GLY 58 -11.215 5.524 -12.161 425 2HA GLY 58 1HA GLY 58 -9.486 5.691 -12.467 426 H ASN 59 H ASN 59 -11.589 4.438 -14.153 427 HA ASN 59 HA ASN 59 -11.482 1.626 -14.111 428 1HB ASN 59 2HB ASN 59 -11.758 3.541 -16.438 429 2HB ASN 59 1HB ASN 59 -11.994 1.799 -16.573 430 1HD2 ASN 59 1HD2 ASN 59 -12.980 2.569 -13.489 431 2HD2 ASN 59 2HD2 ASN 59 -14.634 2.819 -13.779 432 H SER 60 H SER 60 -9.368 3.932 -15.841 433 HA SER 60 HA SER 60 -7.682 1.884 -16.974 434 1HB SER 60 2HB SER 60 -6.837 4.725 -16.383 435 2HB SER 60 1HB SER 60 -6.256 3.666 -17.665 436 HG SER 60 HG SER 60 -7.915 4.219 -18.834 437 H TYR 61 H TYR 61 -8.194 1.968 -13.945 438 HA TYR 61 HA TYR 61 -5.487 1.186 -13.175 439 1HB TYR 61 2HB TYR 61 -6.778 3.670 -12.074 440 2HB TYR 61 1HB TYR 61 -5.513 2.797 -11.209 441 HD1 TYR 61 1HD TYR 61 -6.121 5.409 -13.468 442 HD2 TYR 61 2HD TYR 61 -3.411 2.153 -12.758 443 HE1 TYR 61 1HE TYR 61 -4.403 6.536 -14.858 444 HE2 TYR 61 2HE TYR 61 -1.692 3.280 -14.146 445 HH TYR 61 HH TYR 61 -2.428 6.052 -16.088 446 H SER 62 H SER 62 -5.833 -0.612 -11.979 447 HA SER 62 HA SER 62 -8.337 -0.755 -10.334 448 1HB SER 62 2HB SER 62 -7.028 -2.658 -12.176 449 2HB SER 62 1HB SER 62 -7.574 -3.360 -10.655 450 HG SER 62 HG SER 62 -9.251 -1.612 -12.081 451 H TYR 63 H TYR 63 -4.852 -1.365 -10.399 452 HA TYR 63 HA TYR 63 -5.025 -2.204 -7.542 453 1HB TYR 63 2HB TYR 63 -2.915 -2.550 -9.661 454 2HB TYR 63 1HB TYR 63 -2.564 -2.816 -7.953 455 HD1 TYR 63 1HD TYR 63 -5.199 -3.699 -10.483 456 HD2 TYR 63 2HD TYR 63 -2.848 -4.976 -7.123 457 HE1 TYR 63 1HE TYR 63 -6.215 -5.955 -10.627 458 HE2 TYR 63 2HE TYR 63 -3.861 -7.234 -7.271 459 HH TYR 63 HH TYR 63 -4.956 -8.635 -9.142 460 H VAL 64 H VAL 64 -3.291 -1.369 -6.096 461 HA VAL 64 HA VAL 64 -2.245 1.323 -6.827 462 HB VAL 64 HB VAL 64 -3.982 0.713 -4.408 463 1HG1 VAL 64 1HG1 VAL 64 -3.612 2.896 -3.637 464 2HG1 VAL 64 2HG1 VAL 64 -2.962 3.432 -5.182 465 3HG1 VAL 64 3HG1 VAL 64 -2.007 2.373 -4.142 466 1HG2 VAL 64 1HG2 VAL 64 -5.426 2.508 -5.479 467 2HG2 VAL 64 2HG2 VAL 64 -5.361 0.975 -6.349 468 3HG2 VAL 64 3HG2 VAL 64 -4.411 2.350 -6.913 469 H TRP 65 H TRP 65 -0.315 1.824 -5.676 470 HA TRP 65 HA TRP 65 0.989 -0.485 -4.421 471 1HB TRP 65 2HB TRP 65 1.822 2.138 -5.486 472 2HB TRP 65 1HB TRP 65 2.759 1.584 -4.112 473 HD1 TRP 65 HD TRP 65 3.593 1.860 -7.267 474 HE1 TRP 65 1HE TRP 65 4.779 -0.143 -8.355 475 HE3 TRP 65 3HE TRP 65 2.181 -1.873 -4.055 476 HZ2 TRP 65 2HZ TRP 65 5.062 -2.942 -7.948 477 HZ3 TRP 65 3HZ TRP 65 2.929 -4.194 -4.451 478 HH2 TRP 65 HH TRP 65 4.370 -4.734 -6.384 479 H ILE 66 H ILE 66 1.798 -0.534 -2.258 480 HA ILE 66 HA ILE 66 0.999 1.724 -0.487 481 HB ILE 66 HB ILE 66 0.227 0.069 1.246 482 1HG1 ILE 66 2HG1 ILE 66 0.433 -1.853 -1.090 483 2HG1 ILE 66 1HG1 ILE 66 1.345 -1.940 0.418 484 1HG2 ILE 66 1HG2 ILE 66 -1.285 1.290 -0.437 485 2HG2 ILE 66 2HG2 ILE 66 -1.965 -0.132 0.350 486 3HG2 ILE 66 3HG2 ILE 66 -1.362 -0.243 -1.302 487 1HD1 ILE 66 1HD1 ILE 66 -0.921 -2.058 1.609 488 2HD1 ILE 66 2HD1 ILE 66 -0.464 -3.482 0.675 489 3HD1 ILE 66 3HD1 ILE 66 -1.630 -2.334 0.018 490 H GLY 67 H GLY 67 2.176 1.256 1.783 491 1HA GLY 67 2HA GLY 67 4.965 0.724 1.063 492 2HA GLY 67 1HA GLY 67 4.398 1.405 2.584 493 H LEU 68 H LEU 68 3.712 -1.747 0.960 494 HA LEU 68 HA LEU 68 4.954 -3.015 3.348 495 1HB LEU 68 2HB LEU 68 2.518 -3.128 3.698 496 2HB LEU 68 1HB LEU 68 2.324 -3.895 2.126 497 HG LEU 68 HG LEU 68 3.439 -5.881 2.834 498 1HD1 LEU 68 1HD1 LEU 68 4.373 -4.207 5.161 499 2HD1 LEU 68 2HD1 LEU 68 5.365 -5.068 3.986 500 3HD1 LEU 68 3HD1 LEU 68 4.446 -5.962 5.190 501 1HD2 LEU 68 1HD2 LEU 68 1.991 -4.977 5.326 502 2HD2 LEU 68 2HD2 LEU 68 2.158 -6.622 4.712 503 3HD2 LEU 68 3HD2 LEU 68 1.148 -5.458 3.853 504 H HIS 69 H HIS 69 6.462 -4.440 2.776 505 HA HIS 69 HA HIS 69 6.265 -5.692 0.064 506 1HB HIS 69 2HB HIS 69 8.714 -5.562 -0.094 507 2HB HIS 69 1HB HIS 69 8.035 -3.947 0.124 508 HD1 HIS 69 1HD HIS 69 10.658 -5.989 1.406 509 HD2 HIS 69 2HD HIS 69 7.915 -3.384 3.135 510 HE1 HIS 69 1HE HIS 69 11.588 -5.379 3.683 511 H ASP 70 H ASP 70 8.101 -7.497 0.106 512 HA ASP 70 HA ASP 70 7.476 -9.238 2.452 513 1HB ASP 70 2HB ASP 70 8.510 -10.176 -0.227 514 2HB ASP 70 1HB ASP 70 7.687 -11.117 1.017 515 HA PRO 71 HA PRO 71 11.942 -8.160 2.849 516 1HB PRO 71 2HB PRO 71 11.732 -8.923 5.621 517 2HB PRO 71 1HB PRO 71 11.925 -7.305 4.944 518 1HG PRO 71 2HG PRO 71 9.632 -8.366 6.209 519 2HG PRO 71 1HG PRO 71 9.778 -6.812 5.389 520 1HD PRO 71 2HD PRO 71 8.387 -9.219 4.500 521 2HD PRO 71 1HD PRO 71 8.345 -7.582 3.804 522 H THR 72 H THR 72 10.193 -11.010 3.019 523 HA THR 72 HA THR 72 12.444 -12.714 3.887 524 HB THR 72 HB THR 72 10.330 -13.516 4.620 525 HG1 THR 72 1HG THR 72 10.035 -15.335 2.925 526 1HG2 THR 72 1HG2 THR 72 8.812 -12.246 3.303 527 2HG2 THR 72 2HG2 THR 72 8.490 -13.929 2.887 528 3HG2 THR 72 3HG2 THR 72 9.439 -12.916 1.798 529 H GLN 73 H GLN 73 11.261 -11.326 0.986 530 HA GLN 73 HA GLN 73 11.783 -11.722 -1.272 531 1HB GLN 73 2HB GLN 73 14.271 -12.819 0.077 532 2HB GLN 73 1HB GLN 73 14.135 -12.484 -1.650 533 1HG GLN 73 2HG GLN 73 13.894 -10.150 -1.292 534 2HG GLN 73 1HG GLN 73 13.549 -10.368 0.424 535 1HE2 GLN 73 1HE2 GLN 73 16.085 -12.371 -0.862 536 2HE2 GLN 73 2HE2 GLN 73 17.387 -11.493 -0.218 537 H GLY 74 H GLY 74 10.397 -13.882 0.310 538 1HA GLY 74 2HA GLY 74 9.459 -15.928 -0.479 539 2HA GLY 74 1HA GLY 74 10.715 -15.998 -1.716 540 H THR 75 H THR 75 10.720 -15.888 1.869 541 HA THR 75 HA THR 75 12.075 -18.505 1.943 542 HB THR 75 HB THR 75 13.967 -17.596 3.301 543 HG1 THR 75 1HG THR 75 13.286 -15.061 2.315 544 1HG2 THR 75 1HG2 THR 75 13.825 -16.217 0.617 545 2HG2 THR 75 2HG2 THR 75 14.046 -17.961 0.774 546 3HG2 THR 75 3HG2 THR 75 15.251 -16.855 1.435 547 H GLU 76 H GLU 76 9.745 -18.516 2.944 548 HA GLU 76 HA GLU 76 10.093 -18.236 5.880 549 1HB GLU 76 2HB GLU 76 8.014 -16.900 4.177 550 2HB GLU 76 1HB GLU 76 7.572 -17.418 5.803 551 1HG GLU 76 2HG GLU 76 10.035 -15.750 5.248 552 2HG GLU 76 1HG GLU 76 8.461 -15.027 5.584 553 HA PRO 77 HA PRO 77 8.290 -22.265 5.997 554 1HB PRO 77 2HB PRO 77 6.434 -21.680 8.119 555 2HB PRO 77 1HB PRO 77 7.984 -22.520 8.221 556 1HG PRO 77 2HG PRO 77 7.330 -19.837 9.084 557 2HG PRO 77 1HG PRO 77 8.834 -20.734 9.318 558 1HD PRO 77 2HD PRO 77 8.439 -18.508 7.596 559 2HD PRO 77 1HD PRO 77 9.871 -19.563 7.655 560 H ASN 78 H ASN 78 5.853 -19.663 6.352 561 HA ASN 78 HA ASN 78 4.161 -21.162 4.396 562 1HB ASN 78 2HB ASN 78 3.273 -19.819 6.964 563 2HB ASN 78 1HB ASN 78 2.161 -20.349 5.701 564 1HD2 ASN 78 1HD2 ASN 78 4.481 -22.601 5.401 565 2HD2 ASN 78 2HD2 ASN 78 3.954 -23.756 6.526 566 H GLY 79 H GLY 79 5.803 -18.344 5.064 567 1HA GLY 79 2HA GLY 79 5.864 -16.460 3.567 568 2HA GLY 79 1HA GLY 79 4.263 -16.907 2.979 569 H GLU 80 H GLU 80 5.921 -15.637 5.874 570 HA GLU 80 HA GLU 80 3.700 -13.739 6.260 571 1HB GLU 80 2HB GLU 80 4.394 -15.916 8.243 572 2HB GLU 80 1HB GLU 80 3.563 -14.437 8.724 573 1HG GLU 80 2HG GLU 80 1.838 -14.935 6.942 574 2HG GLU 80 1HG GLU 80 2.612 -16.505 6.728 575 H GLY 81 H GLY 81 5.870 -12.653 5.546 576 1HA GLY 81 2HA GLY 81 7.292 -11.798 8.039 577 2HA GLY 81 1HA GLY 81 8.195 -12.149 6.563 578 H TRP 82 H TRP 82 5.368 -10.927 5.493 579 HA TRP 82 HA TRP 82 6.260 -8.623 4.315 580 1HB TRP 82 2HB TRP 82 3.585 -8.326 5.574 581 2HB TRP 82 1HB TRP 82 4.061 -8.143 3.886 582 HD1 TRP 82 HD TRP 82 5.178 -10.856 3.111 583 HE1 TRP 82 1HE TRP 82 3.735 -12.992 3.119 584 HE3 TRP 82 3HE TRP 82 1.483 -9.409 6.323 585 HZ2 TRP 82 2HZ TRP 82 1.330 -13.958 4.330 586 HZ3 TRP 82 3HZ TRP 82 -0.369 -10.956 6.887 587 HH2 TRP 82 HH TRP 82 -0.450 -13.227 5.896 588 H GLU 83 H GLU 83 6.858 -6.557 4.942 589 HA GLU 83 HA GLU 83 6.184 -5.707 7.731 590 1HB GLU 83 2HB GLU 83 8.597 -6.712 7.398 591 2HB GLU 83 1HB GLU 83 8.934 -5.153 6.646 592 1HG GLU 83 2HG GLU 83 7.889 -4.108 8.754 593 2HG GLU 83 1HG GLU 83 8.047 -5.708 9.477 594 H TRP 84 H TRP 84 5.362 -3.650 7.700 595 HA TRP 84 HA TRP 84 5.177 -2.166 5.261 596 1HB TRP 84 2HB TRP 84 4.885 -0.794 7.899 597 2HB TRP 84 1HB TRP 84 3.884 -0.670 6.450 598 HD1 TRP 84 HD TRP 84 4.548 -2.974 9.436 599 HE1 TRP 84 1HE TRP 84 2.518 -4.523 9.747 600 HE3 TRP 84 3HE TRP 84 1.847 -1.722 5.294 601 HZ2 TRP 84 2HZ TRP 84 0.072 -5.160 8.410 602 HZ3 TRP 84 3HZ TRP 84 -0.325 -2.823 4.832 603 HH2 TRP 84 HH TRP 84 -1.216 -4.532 6.387 604 H SER 85 H SER 85 6.158 -0.032 4.818 605 HA SER 85 HA SER 85 8.958 -0.055 5.716 606 1HB SER 85 2HB SER 85 7.503 1.563 3.621 607 2HB SER 85 1HB SER 85 9.198 1.820 4.023 608 HG SER 85 HG SER 85 7.955 -0.283 2.698 609 H SER 86 H SER 86 6.210 1.216 6.908 610 HA SER 86 HA SER 86 7.713 3.099 8.561 611 1HB SER 86 2HB SER 86 6.118 5.000 7.994 612 2HB SER 86 1HB SER 86 7.297 4.608 6.744 613 HG SER 86 HG SER 86 4.580 3.788 6.894 614 H SER 87 H SER 87 5.778 0.658 8.533 615 HA SER 87 HA SER 87 3.914 1.843 10.581 616 1HB SER 87 2HB SER 87 3.003 -0.649 9.325 617 2HB SER 87 1HB SER 87 2.122 0.834 9.659 618 HG SER 87 HG SER 87 4.093 0.949 7.708 619 H ASP 88 H ASP 88 6.615 0.133 10.501 620 HA ASP 88 HA ASP 88 7.574 -1.120 12.271 621 1HB ASP 88 2HB ASP 88 5.405 -0.180 13.531 622 2HB ASP 88 1HB ASP 88 4.907 -1.868 13.411 623 H VAL 89 H VAL 89 5.862 -3.418 13.358 624 HA VAL 89 HA VAL 89 6.506 -5.292 11.162 625 HB VAL 89 HB VAL 89 7.234 -5.766 13.505 626 1HG1 VAL 89 1HG1 VAL 89 4.303 -6.242 14.081 627 2HG1 VAL 89 2HG1 VAL 89 5.111 -4.725 14.480 628 3HG1 VAL 89 3HG1 VAL 89 5.647 -6.232 15.224 629 1HG2 VAL 89 1HG2 VAL 89 5.178 -7.855 12.854 630 2HG2 VAL 89 2HG2 VAL 89 6.866 -8.055 13.322 631 3HG2 VAL 89 3HG2 VAL 89 6.462 -7.545 11.683 632 H MET 90 H MET 90 4.747 -7.248 11.230 633 HA MET 90 HA MET 90 2.343 -6.101 10.111 634 1HB MET 90 2HB MET 90 2.830 -8.972 10.950 635 2HB MET 90 1HB MET 90 1.618 -8.398 9.803 636 1HG MET 90 2HG MET 90 3.494 -7.490 8.392 637 2HG MET 90 1HG MET 90 4.626 -8.294 9.480 638 1HE MET 90 1HE MET 90 2.800 -11.175 10.094 639 2HE MET 90 2HE MET 90 4.439 -10.539 10.219 640 3HE MET 90 3HE MET 90 4.115 -11.925 9.178 641 H ASN 91 H ASN 91 1.570 -4.816 11.963 642 HA ASN 91 HA ASN 91 0.677 -6.296 14.343 643 1HB ASN 91 2HB ASN 91 1.271 -3.617 13.855 644 2HB ASN 91 1HB ASN 91 -0.490 -3.620 13.953 645 1HD2 ASN 91 1HD2 ASN 91 1.505 -2.564 15.953 646 2HD2 ASN 91 2HD2 ASN 91 1.163 -3.385 17.398 647 H TYR 92 H TYR 92 -0.381 -5.793 11.207 648 HA TYR 92 HA TYR 92 -3.050 -6.844 11.895 649 1HB TYR 92 2HB TYR 92 -3.477 -4.468 11.695 650 2HB TYR 92 1HB TYR 92 -2.581 -4.401 10.179 651 HD1 TYR 92 1HD TYR 92 -5.272 -6.616 11.600 652 HD2 TYR 92 2HD TYR 92 -3.952 -4.181 8.315 653 HE1 TYR 92 1HE TYR 92 -7.328 -7.193 10.347 654 HE2 TYR 92 2HE TYR 92 -6.011 -4.761 7.061 655 HH TYR 92 HH TYR 92 -7.947 -7.284 7.770 656 H PHE 93 H PHE 93 -4.057 -7.949 10.025 657 HA PHE 93 HA PHE 93 -2.164 -8.454 7.766 658 1HB PHE 93 2HB PHE 93 -2.914 -10.888 7.899 659 2HB PHE 93 1HB PHE 93 -1.838 -10.347 9.188 660 HD1 PHE 93 1HD PHE 93 -2.561 -10.266 11.465 661 HD2 PHE 93 2HD PHE 93 -5.387 -11.032 8.323 662 HE1 PHE 93 1HE PHE 93 -4.272 -10.879 13.153 663 HE2 PHE 93 2HE PHE 93 -7.098 -11.645 10.011 664 HZ PHE 93 HZ PHE 93 -6.540 -11.569 12.426 665 H ALA 94 H ALA 94 -3.186 -9.018 5.785 666 HA ALA 94 HA ALA 94 -6.015 -9.471 5.537 667 1HB ALA 94 1HB ALA 94 -5.363 -6.817 4.350 668 2HB ALA 94 2HB ALA 94 -5.574 -6.868 6.099 669 3HB ALA 94 3HB ALA 94 -6.878 -7.399 5.039 670 H TRP 95 H TRP 95 -3.293 -10.286 4.502 671 HA TRP 95 HA TRP 95 -2.996 -9.551 1.770 672 1HB TRP 95 2HB TRP 95 -2.141 -11.896 3.439 673 2HB TRP 95 1HB TRP 95 -1.959 -11.994 1.687 674 HD1 TRP 95 HD TRP 95 -0.942 -9.715 4.630 675 HE1 TRP 95 1HE TRP 95 1.274 -8.550 4.017 676 HE3 TRP 95 3HE TRP 95 -0.362 -11.395 -0.154 677 HZ2 TRP 95 2HZ TRP 95 3.059 -8.358 1.787 678 HZ3 TRP 95 3HZ TRP 95 1.601 -10.708 -1.499 679 HH2 TRP 95 HH TRP 95 3.313 -9.194 -0.536 680 H GLU 96 H GLU 96 -3.612 -10.775 -0.149 681 HA GLU 96 HA GLU 96 -6.351 -11.731 -0.029 682 1HB GLU 96 2HB GLU 96 -5.215 -10.516 -1.988 683 2HB GLU 96 1HB GLU 96 -4.458 -12.064 -2.362 684 1HG GLU 96 2HG GLU 96 -6.782 -13.081 -2.368 685 2HG GLU 96 1HG GLU 96 -7.418 -11.438 -2.284 686 H ARG 97 H ARG 97 -3.189 -13.271 -0.614 687 HA ARG 97 HA ARG 97 -4.315 -15.828 0.366 688 1HB ARG 97 2HB ARG 97 -3.144 -15.419 -2.395 689 2HB ARG 97 1HB ARG 97 -3.231 -17.005 -1.628 690 1HG ARG 97 2HG ARG 97 -5.693 -16.684 -1.340 691 2HG ARG 97 1HG ARG 97 -5.566 -15.168 -2.233 692 1HD ARG 97 2HD ARG 97 -4.844 -16.301 -4.223 693 2HD ARG 97 1HD ARG 97 -4.625 -17.818 -3.352 694 HE ARG 97 HE ARG 97 -7.331 -17.104 -3.031 695 1HH1 ARG 97 1HH2 ARG 97 -6.615 -16.197 -5.918 696 2HH1 ARG 97 2HH2 ARG 97 -7.145 -17.583 -6.810 697 1HH2 ARG 97 1HH1 ARG 97 -7.372 -19.623 -4.016 698 2HH2 ARG 97 2HH1 ARG 97 -7.575 -19.524 -5.733 699 H ASN 98 H ASN 98 -2.532 -17.427 0.758 700 HA ASN 98 HA ASN 98 -0.252 -16.091 1.951 701 1HB ASN 98 2HB ASN 98 -0.562 -19.064 1.501 702 2HB ASN 98 1HB ASN 98 0.379 -18.253 2.755 703 1HD2 ASN 98 1HD2 ASN 98 -0.709 -17.652 4.682 704 2HD2 ASN 98 2HD2 ASN 98 -2.370 -17.894 4.937 705 HA PRO 99 HA PRO 99 2.138 -16.132 -1.864 706 1HB PRO 99 2HB PRO 99 4.594 -15.913 -0.376 707 2HB PRO 99 1HB PRO 99 3.741 -14.651 -1.270 708 1HG PRO 99 2HG PRO 99 3.957 -14.963 1.577 709 2HG PRO 99 1HG PRO 99 3.136 -13.684 0.679 710 1HD PRO 99 2HD PRO 99 1.935 -15.800 2.207 711 2HD PRO 99 1HD PRO 99 1.108 -14.548 1.246 712 H SER 100 H SER 100 2.389 -18.366 0.723 713 HA SER 100 HA SER 100 4.498 -20.017 -0.421 714 1HB SER 100 2HB SER 100 4.106 -20.130 1.968 715 2HB SER 100 1HB SER 100 2.416 -20.555 1.716 716 HG SER 100 HG SER 100 4.354 -22.214 2.006 717 H THR 101 H THR 101 1.382 -19.407 -1.405 718 HA THR 101 HA THR 101 1.190 -22.091 -2.728 719 HB THR 101 HB THR 101 -1.253 -21.920 -2.574 720 HG1 THR 101 1HG THR 101 -2.206 -20.181 -1.729 721 1HG2 THR 101 1HG2 THR 101 -1.479 -22.233 -0.162 722 2HG2 THR 101 2HG2 THR 101 0.058 -21.414 0.111 723 3HG2 THR 101 3HG2 THR 101 0.024 -22.971 -0.715 724 H ILE 102 H ILE 102 2.251 -19.319 -3.546 725 HA ILE 102 HA ILE 102 0.559 -19.038 -6.007 726 HB ILE 102 HB ILE 102 2.208 -16.879 -4.660 727 1HG1 ILE 102 2HG1 ILE 102 -0.800 -17.290 -4.712 728 2HG1 ILE 102 1HG1 ILE 102 0.235 -17.571 -3.310 729 1HG2 ILE 102 1HG2 ILE 102 0.195 -16.798 -6.929 730 2HG2 ILE 102 2HG2 ILE 102 1.940 -16.608 -7.096 731 3HG2 ILE 102 3HG2 ILE 102 1.001 -15.395 -6.228 732 1HD1 ILE 102 1HD1 ILE 102 1.012 -15.123 -3.643 733 2HD1 ILE 102 2HD1 ILE 102 -0.597 -15.387 -2.969 734 3HD1 ILE 102 3HD1 ILE 102 -0.414 -14.956 -4.669 735 H SER 103 H SER 103 1.724 -18.631 -7.978 736 HA SER 103 HA SER 103 4.194 -20.072 -8.212 737 1HB SER 103 2HB SER 103 2.925 -20.010 -10.187 738 2HB SER 103 1HB SER 103 2.616 -18.281 -10.046 739 HG SER 103 HG SER 103 4.913 -19.646 -10.910 740 H SER 104 H SER 104 5.764 -19.149 -6.842 741 HA SER 104 HA SER 104 7.327 -17.547 -6.095 742 1HB SER 104 2HB SER 104 7.315 -17.072 -9.086 743 2HB SER 104 1HB SER 104 8.554 -16.475 -7.985 744 HG SER 104 HG SER 104 9.166 -18.538 -7.560 745 HA PRO 105 HA PRO 105 4.311 -14.034 -6.148 746 1HB PRO 105 2HB PRO 105 5.030 -13.567 -3.399 747 2HB PRO 105 1HB PRO 105 3.506 -14.187 -4.037 748 1HG PRO 105 2HG PRO 105 5.437 -15.627 -2.545 749 2HG PRO 105 1HG PRO 105 4.007 -16.284 -3.346 750 1HD PRO 105 2HD PRO 105 6.823 -16.514 -4.135 751 2HD PRO 105 1HD PRO 105 5.413 -17.407 -4.755 752 H GLY 106 H GLY 106 4.794 -11.780 -6.240 753 1HA GLY 106 2HA GLY 106 7.512 -11.028 -6.723 754 2HA GLY 106 1HA GLY 106 6.180 -9.894 -6.475 755 H HIS 107 H HIS 107 7.400 -8.508 -5.086 756 HA HIS 107 HA HIS 107 7.758 -9.625 -2.346 757 1HB HIS 107 2HB HIS 107 9.791 -7.705 -3.465 758 2HB HIS 107 1HB HIS 107 9.936 -8.789 -2.081 759 HD1 HIS 107 1HD HIS 107 10.243 -11.360 -2.610 760 HD2 HIS 107 2HD HIS 107 10.442 -8.883 -5.943 761 HE1 HIS 107 1HE HIS 107 11.230 -12.735 -4.489 762 H CYS 108 H CYS 108 6.304 -7.374 -4.255 763 HA CYS 108 HA CYS 108 6.176 -5.385 -2.021 764 1HB CYS 108 2HB CYS 108 6.231 -5.020 -4.996 765 2HB CYS 108 1HB CYS 108 5.393 -3.839 -3.990 766 H ALA 109 H ALA 109 4.119 -4.758 -1.352 767 HA ALA 109 HA ALA 109 1.888 -6.410 -2.428 768 1HB ALA 109 1HB ALA 109 2.568 -6.311 0.083 769 2HB ALA 109 2HB ALA 109 0.857 -6.226 -0.334 770 3HB ALA 109 3HB ALA 109 1.738 -4.756 0.078 771 H SER 110 H SER 110 0.053 -5.512 -3.228 772 HA SER 110 HA SER 110 -0.270 -2.553 -3.194 773 1HB SER 110 2HB SER 110 -1.095 -3.578 -5.757 774 2HB SER 110 1HB SER 110 0.138 -2.371 -5.415 775 HG SER 110 HG SER 110 0.501 -4.789 -6.323 776 H LEU 111 H LEU 111 -2.572 -1.986 -3.846 777 HA LEU 111 HA LEU 111 -4.420 -3.960 -2.666 778 1HB LEU 111 2HB LEU 111 -4.879 -1.155 -3.725 779 2HB LEU 111 1HB LEU 111 -6.099 -2.134 -2.926 780 HG LEU 111 HG LEU 111 -3.629 -1.987 -1.359 781 1HD1 LEU 111 1HD1 LEU 111 -5.079 0.576 -2.073 782 2HD1 LEU 111 2HD1 LEU 111 -3.364 0.228 -2.277 783 3HD1 LEU 111 3HD1 LEU 111 -4.037 0.409 -0.659 784 1HD2 LEU 111 1HD2 LEU 111 -6.406 -0.999 -0.674 785 2HD2 LEU 111 2HD2 LEU 111 -5.163 -1.586 0.431 786 3HD2 LEU 111 3HD2 LEU 111 -5.980 -2.710 -0.655 787 H SER 112 H SER 112 -6.260 -4.772 -3.831 788 HA SER 112 HA SER 112 -5.960 -4.673 -6.817 789 1HB SER 112 2HB SER 112 -6.673 -6.950 -6.915 790 2HB SER 112 1HB SER 112 -5.464 -6.885 -5.635 791 HG SER 112 HG SER 112 -6.957 -7.514 -4.313 792 H ARG 113 H ARG 113 -7.617 -3.499 -7.687 793 HA ARG 113 HA ARG 113 -9.973 -2.718 -6.325 794 1HB ARG 113 2HB ARG 113 -9.378 -1.558 -8.340 795 2HB ARG 113 1HB ARG 113 -9.407 -3.047 -9.282 796 1HG ARG 113 2HG ARG 113 -11.794 -3.225 -9.087 797 2HG ARG 113 1HG ARG 113 -11.852 -1.942 -7.880 798 1HD ARG 113 2HD ARG 113 -11.354 -0.265 -9.471 799 2HD ARG 113 1HD ARG 113 -10.756 -1.436 -10.644 800 HE ARG 113 HE ARG 113 -13.546 -1.896 -10.037 801 1HH1 ARG 113 1HH1 ARG 113 -13.569 1.005 -10.666 802 2HH1 ARG 113 2HH1 ARG 113 -13.712 1.018 -12.391 803 1HH2 ARG 113 1HH2 ARG 113 -12.763 -2.295 -12.759 804 2HH2 ARG 113 2HH2 ARG 113 -13.255 -0.851 -13.577 805 H SER 114 H SER 114 -9.269 -5.652 -8.146 806 HA SER 114 HA SER 114 -11.888 -6.647 -8.501 807 1HB SER 114 2HB SER 114 -9.427 -8.271 -7.803 808 2HB SER 114 1HB SER 114 -10.874 -8.858 -8.620 809 HG SER 114 HG SER 114 -9.081 -6.857 -9.549 810 H THR 115 H THR 115 -10.133 -6.136 -5.593 811 HA THR 115 HA THR 115 -12.130 -7.788 -4.083 812 HB THR 115 HB THR 115 -10.417 -7.970 -2.309 813 HG1 THR 115 1HG THR 115 -9.142 -6.247 -2.536 814 1HG2 THR 115 1HG2 THR 115 -10.585 -9.541 -4.382 815 2HG2 THR 115 2HG2 THR 115 -9.155 -9.647 -3.359 816 3HG2 THR 115 3HG2 THR 115 -9.083 -8.769 -4.885 817 H ALA 116 H ALA 116 -12.301 -4.945 -5.005 818 HA ALA 116 HA ALA 116 -13.011 -2.890 -4.125 819 1HB ALA 116 1HB ALA 116 -14.480 -4.575 -2.829 820 2HB ALA 116 2HB ALA 116 -14.299 -2.962 -2.137 821 3HB ALA 116 3HB ALA 116 -13.370 -4.311 -1.486 822 H PHE 117 H PHE 117 -10.173 -3.832 -3.852 823 HA PHE 117 HA PHE 117 -8.186 -3.030 -2.915 824 1HB PHE 117 2HB PHE 117 -9.842 -0.782 -1.755 825 2HB PHE 117 1HB PHE 117 -8.143 -0.750 -2.227 826 HD1 PHE 117 1HD PHE 117 -7.506 -0.842 -4.636 827 HD2 PHE 117 2HD PHE 117 -11.596 -0.481 -3.374 828 HE1 PHE 117 1HE PHE 117 -8.147 -0.116 -6.919 829 HE2 PHE 117 2HE PHE 117 -12.236 0.242 -5.657 830 HZ PHE 117 HZ PHE 117 -10.512 0.425 -7.428 831 H LEU 118 H LEU 118 -10.194 -4.695 -1.326 832 HA LEU 118 HA LEU 118 -9.408 -3.909 1.438 833 1HB LEU 118 2HB LEU 118 -11.453 -5.875 0.373 834 2HB LEU 118 1HB LEU 118 -11.082 -5.688 2.086 835 HG LEU 118 HG LEU 118 -12.056 -3.468 0.264 836 1HD1 LEU 118 1HD1 LEU 118 -13.781 -5.185 0.718 837 2HD1 LEU 118 2HD1 LEU 118 -14.163 -3.659 1.516 838 3HD1 LEU 118 3HD1 LEU 118 -13.498 -4.999 2.449 839 1HD2 LEU 118 1HD2 LEU 118 -12.491 -2.545 2.747 840 2HD2 LEU 118 2HD2 LEU 118 -10.954 -2.292 1.924 841 3HD2 LEU 118 3HD2 LEU 118 -11.116 -3.591 3.104 842 H ARG 119 H ARG 119 -8.302 -5.838 -1.039 843 HA ARG 119 HA ARG 119 -6.935 -7.665 0.901 844 1HB ARG 119 2HB ARG 119 -7.939 -8.321 -1.886 845 2HB ARG 119 1HB ARG 119 -6.949 -9.394 -0.899 846 1HG ARG 119 2HG ARG 119 -9.488 -8.280 0.260 847 2HG ARG 119 1HG ARG 119 -9.582 -9.629 -0.873 848 1HD ARG 119 2HD ARG 119 -8.530 -11.097 0.567 849 2HD ARG 119 1HD ARG 119 -7.590 -9.827 1.348 850 HE ARG 119 HE ARG 119 -10.442 -9.597 1.886 851 1HH1 ARG 119 1HH2 ARG 119 -7.324 -10.208 3.066 852 2HH1 ARG 119 2HH2 ARG 119 -7.854 -10.929 4.549 853 1HH2 ARG 119 1HH1 ARG 119 -11.206 -10.922 3.668 854 2HH2 ARG 119 2HH1 ARG 119 -10.049 -11.333 4.890 855 H TRP 120 H TRP 120 -4.724 -7.992 0.505 856 HA TRP 120 HA TRP 120 -3.519 -6.084 -1.442 857 1HB TRP 120 2HB TRP 120 -2.128 -7.670 0.730 858 2HB TRP 120 1HB TRP 120 -1.507 -6.266 -0.136 859 HD1 TRP 120 HD TRP 120 -3.905 -4.308 0.021 860 HE1 TRP 120 1HE TRP 120 -4.653 -3.313 2.280 861 HE3 TRP 120 3HE TRP 120 -1.902 -7.753 3.202 862 HZ2 TRP 120 2HZ TRP 120 -4.427 -3.907 5.074 863 HZ3 TRP 120 3HZ TRP 120 -2.177 -7.520 5.651 864 HH2 TRP 120 HH TRP 120 -3.438 -5.606 6.591 865 H LYS 121 H LYS 121 -2.156 -6.776 -3.077 866 HA LYS 121 HA LYS 121 -1.763 -9.731 -3.370 867 1HB LYS 121 2HB LYS 121 -3.532 -8.769 -4.913 868 2HB LYS 121 1HB LYS 121 -2.259 -7.792 -5.644 869 1HG LYS 121 2HG LYS 121 -2.500 -9.776 -6.991 870 2HG LYS 121 1HG LYS 121 -0.990 -9.928 -6.095 871 1HD LYS 121 2HD LYS 121 -1.825 -11.583 -4.691 872 2HD LYS 121 1HD LYS 121 -3.494 -11.046 -4.876 873 1HE LYS 121 2HE LYS 121 -1.924 -12.247 -7.163 874 2HE LYS 121 1HE LYS 121 -2.876 -13.233 -6.053 875 1HZ LYS 121 1HZ LYS 121 -4.482 -12.797 -7.552 876 2HZ LYS 121 2HZ LYS 121 -3.754 -11.365 -8.103 877 3HZ LYS 121 3HZ LYS 121 -4.648 -11.364 -6.659 878 H ASP 122 H ASP 122 0.201 -10.361 -4.369 879 HA ASP 122 HA ASP 122 2.377 -8.508 -3.878 880 1HB ASP 122 2HB ASP 122 3.737 -10.446 -4.943 881 2HB ASP 122 1HB ASP 122 2.913 -10.760 -3.415 882 H TYR 123 H TYR 123 3.816 -7.627 -5.468 883 HA TYR 123 HA TYR 123 3.207 -8.012 -8.318 884 1HB TYR 123 2HB TYR 123 2.245 -5.682 -6.782 885 2HB TYR 123 1HB TYR 123 3.143 -5.250 -8.237 886 HD1 TYR 123 1HD TYR 123 2.325 -5.843 -10.453 887 HD2 TYR 123 2HD TYR 123 0.167 -6.983 -6.919 888 HE1 TYR 123 1HE TYR 123 0.350 -6.413 -11.843 889 HE2 TYR 123 2HE TYR 123 -1.804 -7.555 -8.308 890 HH TYR 123 HH TYR 123 -2.676 -7.564 -10.347 891 H ASN 124 H ASN 124 4.863 -7.040 -9.690 892 HA ASN 124 HA ASN 124 7.499 -7.243 -8.680 893 1HB ASN 124 2HB ASN 124 6.734 -7.285 -11.122 894 2HB ASN 124 1HB ASN 124 6.731 -5.524 -11.045 895 1HD2 ASN 124 1HD2 ASN 124 8.560 -5.321 -12.518 896 2HD2 ASN 124 2HD2 ASN 124 10.130 -5.764 -12.050 897 H CYS 125 H CYS 125 8.445 -5.945 -7.215 898 HA CYS 125 HA CYS 125 7.538 -3.511 -6.221 899 1HB CYS 125 2HB CYS 125 10.350 -4.582 -6.481 900 2HB CYS 125 1HB CYS 125 9.982 -3.090 -5.616 901 H ASN 126 H ASN 126 8.884 -4.014 -9.350 902 HA ASN 126 HA ASN 126 9.755 -1.188 -9.554 903 1HB ASN 126 2HB ASN 126 11.203 -2.881 -10.565 904 2HB ASN 126 1HB ASN 126 9.868 -3.463 -11.561 905 1HD2 ASN 126 1HD2 ASN 126 9.005 -1.924 -13.224 906 2HD2 ASN 126 2HD2 ASN 126 10.013 -0.702 -13.833 907 H VAL 127 H VAL 127 7.157 -3.290 -10.767 908 HA VAL 127 HA VAL 127 6.132 -1.572 -12.781 909 HB VAL 127 HB VAL 127 4.797 -3.506 -10.874 910 1HG1 VAL 127 1HG1 VAL 127 3.057 -1.921 -11.217 911 2HG1 VAL 127 2HG1 VAL 127 2.759 -3.181 -12.413 912 3HG1 VAL 127 3HG1 VAL 127 3.515 -1.664 -12.900 913 1HG2 VAL 127 1HG2 VAL 127 4.929 -3.559 -13.895 914 2HG2 VAL 127 2HG2 VAL 127 4.627 -4.901 -12.791 915 3HG2 VAL 127 3HG2 VAL 127 6.238 -4.196 -12.898 916 H ARG 128 H ARG 128 5.285 0.513 -12.595 917 HA ARG 128 HA ARG 128 5.057 1.597 -9.884 918 1HB ARG 128 2HB ARG 128 4.353 3.662 -11.433 919 2HB ARG 128 1HB ARG 128 6.037 3.195 -11.233 920 1HG ARG 128 2HG ARG 128 6.013 1.947 -13.293 921 2HG ARG 128 1HG ARG 128 4.267 2.133 -13.447 922 1HD ARG 128 2HD ARG 128 5.458 4.743 -13.174 923 2HD ARG 128 1HD ARG 128 6.289 3.862 -14.454 924 HE ARG 128 HE ARG 128 3.540 4.812 -14.549 925 1HH1 ARG 128 1HH1 ARG 128 5.240 1.943 -15.239 926 2HH1 ARG 128 2HH1 ARG 128 4.630 1.789 -16.852 927 1HH2 ARG 128 1HH2 ARG 128 2.975 4.836 -16.801 928 2HH2 ARG 128 2HH2 ARG 128 3.348 3.427 -17.737 929 H LEU 129 H LEU 129 3.075 2.558 -9.005 930 HA LEU 129 HA LEU 129 0.647 1.974 -10.659 931 1HB LEU 129 2HB LEU 129 1.336 0.763 -7.991 932 2HB LEU 129 1HB LEU 129 -0.346 1.040 -8.403 933 HG LEU 129 HG LEU 129 0.943 -0.213 -10.653 934 1HD1 LEU 129 1HD1 LEU 129 1.500 -2.386 -9.549 935 2HD1 LEU 129 2HD1 LEU 129 1.331 -1.594 -7.983 936 3HD1 LEU 129 3HD1 LEU 129 2.602 -1.085 -9.094 937 1HD2 LEU 129 1HD2 LEU 129 -0.766 -1.964 -10.137 938 2HD2 LEU 129 2HD2 LEU 129 -1.435 -0.334 -10.194 939 3HD2 LEU 129 3HD2 LEU 129 -1.131 -1.109 -8.639 940 HA PRO 130 HA PRO 130 -0.749 5.749 -8.802 941 1HB PRO 130 2HB PRO 130 -3.355 4.747 -8.046 942 2HB PRO 130 1HB PRO 130 -2.957 5.787 -9.415 943 1HG PRO 130 2HG PRO 130 -3.671 2.986 -9.446 944 2HG PRO 130 1HG PRO 130 -3.375 4.058 -10.819 945 1HD PRO 130 2HD PRO 130 -1.708 1.924 -9.925 946 2HD PRO 130 1HD PRO 130 -1.320 3.126 -11.179 947 H TYR 131 H TYR 131 -0.476 6.398 -6.533 948 HA TYR 131 HA TYR 131 -0.937 4.211 -4.537 949 1HB TYR 131 2HB TYR 131 1.274 4.537 -3.591 950 2HB TYR 131 1HB TYR 131 1.426 4.189 -5.313 951 HD1 TYR 131 1HD TYR 131 1.580 6.176 -6.938 952 HD2 TYR 131 2HD TYR 131 2.183 6.531 -2.700 953 HE1 TYR 131 1HE TYR 131 2.765 8.326 -7.285 954 HE2 TYR 131 2HE TYR 131 3.372 8.679 -3.050 955 HH TYR 131 HH TYR 131 3.346 10.514 -4.880 956 H VAL 132 H VAL 132 -0.374 5.054 -2.248 957 HA VAL 132 HA VAL 132 -1.450 7.845 -1.956 958 HB VAL 132 HB VAL 132 -1.854 5.440 -0.147 959 1HG1 VAL 132 1HG1 VAL 132 -3.337 7.005 1.126 960 2HG1 VAL 132 2HG1 VAL 132 -2.763 8.324 0.107 961 3HG1 VAL 132 3HG1 VAL 132 -1.641 7.484 1.176 962 1HG2 VAL 132 1HG2 VAL 132 -3.196 5.709 -2.360 963 2HG2 VAL 132 2HG2 VAL 132 -3.992 7.049 -1.535 964 3HG2 VAL 132 3HG2 VAL 132 -4.096 5.419 -0.873 965 H CYS 133 H CYS 133 -0.522 9.003 -0.073 966 HA CYS 133 HA CYS 133 1.993 7.783 0.974 967 1HB CYS 133 2HB CYS 133 2.785 9.104 -0.850 968 2HB CYS 133 1HB CYS 133 1.704 10.436 -0.450 969 H LYS 134 H LYS 134 2.229 8.126 3.137 970 HA LYS 134 HA LYS 134 0.349 10.042 4.440 971 1HB LYS 134 2HB LYS 134 0.468 8.708 6.358 972 2HB LYS 134 1HB LYS 134 0.602 7.510 5.074 973 1HG LYS 134 2HG LYS 134 3.156 7.853 5.281 974 2HG LYS 134 1HG LYS 134 2.792 8.637 6.819 975 1HD LYS 134 2HD LYS 134 1.413 6.521 7.359 976 2HD LYS 134 1HD LYS 134 2.265 5.777 6.006 977 1HE LYS 134 2HE LYS 134 4.429 6.328 7.065 978 2HE LYS 134 1HE LYS 134 3.574 7.057 8.424 979 1HZ LYS 134 1HZ LYS 134 3.555 4.214 7.590 980 2HZ LYS 134 2HZ LYS 134 2.455 4.855 8.713 981 3HZ LYS 134 3HZ LYS 134 4.121 4.862 9.051 982 H PHE 135 H PHE 135 1.204 11.485 6.119 983 HA PHE 135 HA PHE 135 3.997 11.746 6.702 984 1HB PHE 135 2HB PHE 135 4.490 13.788 5.328 985 2HB PHE 135 1HB PHE 135 4.317 12.320 4.371 986 HD1 PHE 135 1HD PHE 135 2.360 11.966 2.936 987 HD2 PHE 135 2HD PHE 135 2.782 15.537 5.286 988 HE1 PHE 135 1HE PHE 135 0.545 13.039 1.631 989 HE2 PHE 135 2HE PHE 135 0.967 16.610 3.978 990 HZ PHE 135 HZ PHE 135 -0.150 15.360 2.152 991 H THR 136 H THR 136 3.937 12.846 8.605 992 HA THR 136 HA THR 136 1.618 14.523 9.254 993 HB THR 136 HB THR 136 4.081 14.317 10.974 994 HG1 THR 136 1HG THR 136 2.034 12.368 10.841 995 1HG2 THR 136 1HG2 THR 136 1.149 14.200 11.702 996 2HG2 THR 136 2HG2 THR 136 2.024 15.722 11.532 997 3HG2 THR 136 3HG2 THR 136 2.515 14.556 12.760 998 H ASP 137 H ASP 137 3.685 16.159 10.951 999 HA ASP 137 HA ASP 137 5.053 17.782 8.954 1000 1HB ASP 137 2HB ASP 137 2.677 18.533 8.707 1001 2HB ASP 137 1HB ASP 137 2.687 19.001 10.408 Start of MODEL 16 1 1H ARG 1 1HT ARG 1 -5.364 20.686 10.426 2 2H ARG 1 2HT ARG 1 -3.775 20.648 11.024 3 3H ARG 1 3HT ARG 1 -4.407 19.305 10.197 4 HA ARG 1 HA ARG 1 -4.643 21.567 8.545 5 1HB ARG 1 2HB ARG 1 -2.793 22.476 9.919 6 2HB ARG 1 1HB ARG 1 -1.855 21.014 9.611 7 1HG ARG 1 2HG ARG 1 -1.696 21.488 7.276 8 2HG ARG 1 1HG ARG 1 -2.924 22.751 7.378 9 1HD ARG 1 2HD ARG 1 -0.390 23.431 7.311 10 2HD ARG 1 1HD ARG 1 -1.478 24.261 8.424 11 HE ARG 1 HE ARG 1 0.499 22.166 9.198 12 1HH1 ARG 1 1HH2 ARG 1 -0.540 25.247 9.846 13 2HH1 ARG 1 2HH2 ARG 1 -0.680 25.050 11.561 14 1HH2 ARG 1 1HH1 ARG 1 -0.227 21.614 11.471 15 2HH2 ARG 1 2HH1 ARG 1 -0.501 22.993 12.481 16 H CYS 2 H CYS 2 -5.059 20.372 6.751 17 HA CYS 2 HA CYS 2 -3.120 18.335 5.924 18 1HB CYS 2 2HB CYS 2 -5.256 17.452 7.336 19 2HB CYS 2 1HB CYS 2 -5.948 17.446 5.716 20 HA PRO 3 HA PRO 3 -4.008 20.413 2.076 21 1HB PRO 3 2HB PRO 3 -3.373 18.080 0.514 22 2HB PRO 3 1HB PRO 3 -2.381 19.511 0.795 23 1HG PRO 3 2HG PRO 3 -2.052 16.867 1.900 24 2HG PRO 3 1HG PRO 3 -1.009 18.277 2.101 25 1HD PRO 3 2HD PRO 3 -2.704 17.092 4.072 26 2HD PRO 3 1HD PRO 3 -1.773 18.603 4.224 27 H LYS 4 H LYS 4 -5.490 20.229 0.211 28 HA LYS 4 HA LYS 4 -8.020 19.100 0.904 29 1HB LYS 4 2HB LYS 4 -7.110 19.981 -1.845 30 2HB LYS 4 1HB LYS 4 -8.769 19.890 -1.252 31 1HG LYS 4 2HG LYS 4 -8.031 21.557 0.564 32 2HG LYS 4 1HG LYS 4 -6.597 21.821 -0.427 33 1HD LYS 4 2HD LYS 4 -9.473 22.208 -1.306 34 2HD LYS 4 1HD LYS 4 -8.299 23.485 -0.994 35 1HE LYS 4 2HE LYS 4 -8.216 23.237 -3.335 36 2HE LYS 4 1HE LYS 4 -6.842 22.283 -2.778 37 1HZ LYS 4 1HZ LYS 4 -8.914 21.404 -4.340 38 2HZ LYS 4 2HZ LYS 4 -9.244 20.752 -2.805 39 3HZ LYS 4 3HZ LYS 4 -7.757 20.437 -3.564 40 H GLY 5 H GLY 5 -9.017 17.223 0.133 41 1HA GLY 5 2HA GLY 5 -9.180 15.121 -0.929 42 2HA GLY 5 1HA GLY 5 -7.771 15.560 -1.907 43 H SER 6 H SER 6 -6.715 16.355 0.973 44 HA SER 6 HA SER 6 -5.346 13.747 1.362 45 1HB SER 6 2HB SER 6 -3.687 14.932 2.474 46 2HB SER 6 1HB SER 6 -4.308 16.194 1.416 47 HG SER 6 HG SER 6 -5.239 15.696 4.051 48 H LYS 7 H LYS 7 -5.545 12.512 3.269 49 HA LYS 7 HA LYS 7 -7.595 13.467 5.243 50 1HB LYS 7 2HB LYS 7 -7.248 10.589 4.358 51 2HB LYS 7 1HB LYS 7 -8.533 11.250 5.367 52 1HG LYS 7 2HG LYS 7 -8.109 12.293 2.570 53 2HG LYS 7 1HG LYS 7 -9.026 10.814 2.841 54 1HD LYS 7 2HD LYS 7 -10.721 11.915 4.014 55 2HD LYS 7 1HD LYS 7 -9.687 13.278 4.437 56 1HE LYS 7 2HE LYS 7 -11.282 13.957 2.708 57 2HE LYS 7 1HE LYS 7 -9.647 13.958 2.046 58 1HZ LYS 7 1HZ LYS 7 -11.861 12.109 1.528 59 2HZ LYS 7 2HZ LYS 7 -10.272 11.513 1.441 60 3HZ LYS 7 3HZ LYS 7 -10.755 12.800 0.443 61 H ALA 8 H ALA 8 -6.927 13.307 7.352 62 HA ALA 8 HA ALA 8 -4.230 12.225 7.845 63 1HB ALA 8 1HB ALA 8 -6.130 13.488 9.836 64 2HB ALA 8 2HB ALA 8 -5.029 14.416 8.818 65 3HB ALA 8 3HB ALA 8 -4.387 13.281 10.005 66 H TYR 9 H TYR 9 -3.788 10.575 9.371 67 HA TYR 9 HA TYR 9 -5.946 9.142 10.708 68 1HB TYR 9 2HB TYR 9 -6.025 8.358 8.274 69 2HB TYR 9 1HB TYR 9 -4.440 7.639 8.557 70 HD1 TYR 9 1HD TYR 9 -8.023 7.490 9.379 71 HD2 TYR 9 2HD TYR 9 -4.159 5.755 10.096 72 HE1 TYR 9 1HE TYR 9 -9.103 5.526 10.441 73 HE2 TYR 9 2HE TYR 9 -5.240 3.790 11.158 74 HH TYR 9 HH TYR 9 -8.775 3.460 11.240 75 H GLY 10 H GLY 10 -5.071 8.165 12.502 76 1HA GLY 10 2HA GLY 10 -3.440 7.208 13.912 77 2HA GLY 10 1HA GLY 10 -2.391 7.046 12.504 78 H SER 11 H SER 11 -1.524 9.257 11.670 79 HA SER 11 HA SER 11 -1.382 11.522 13.389 80 1HB SER 11 2HB SER 11 1.091 11.089 14.094 81 2HB SER 11 1HB SER 11 -0.195 10.331 15.026 82 HG SER 11 HG SER 11 0.104 8.507 13.514 83 H HIS 12 H HIS 12 -1.338 10.620 10.493 84 HA HIS 12 HA HIS 12 0.784 12.496 9.636 85 1HB HIS 12 2HB HIS 12 0.435 9.818 8.279 86 2HB HIS 12 1HB HIS 12 1.728 10.990 8.048 87 HD1 HIS 12 1HD HIS 12 3.802 10.562 9.350 88 HD2 HIS 12 2HD HIS 12 0.492 8.724 11.092 89 HE1 HIS 12 1HE HIS 12 4.676 9.228 11.318 90 H CYS 13 H CYS 13 0.309 13.450 7.572 91 HA CYS 13 HA CYS 13 -2.557 13.361 6.882 92 1HB CYS 13 2HB CYS 13 -0.273 15.179 6.376 93 2HB CYS 13 1HB CYS 13 -1.419 15.044 5.042 94 H TYR 14 H TYR 14 -3.322 12.081 5.259 95 HA TYR 14 HA TYR 14 -1.330 10.734 3.523 96 1HB TYR 14 2HB TYR 14 -4.243 10.118 4.079 97 2HB TYR 14 1HB TYR 14 -3.225 9.197 2.972 98 HD1 TYR 14 1HD TYR 14 -3.192 10.492 6.499 99 HD2 TYR 14 2HD TYR 14 -2.064 7.345 3.802 100 HE1 TYR 14 1HE TYR 14 -2.303 9.184 8.400 101 HE2 TYR 14 2HE TYR 14 -1.175 6.035 5.712 102 HH TYR 14 HH TYR 14 -0.588 6.133 7.893 103 H ALA 15 H ALA 15 -1.512 10.777 1.251 104 HA ALA 15 HA ALA 15 -3.603 12.542 0.084 105 1HB ALA 15 1HB ALA 15 -2.027 13.893 -1.094 106 2HB ALA 15 2HB ALA 15 -0.686 12.834 -0.662 107 3HB ALA 15 3HB ALA 15 -1.449 13.840 0.571 108 H LEU 16 H LEU 16 -4.315 11.785 -1.872 109 HA LEU 16 HA LEU 16 -3.068 9.286 -2.885 110 1HB LEU 16 2HB LEU 16 -5.437 9.114 -2.571 111 2HB LEU 16 1HB LEU 16 -5.726 10.652 -3.380 112 HG LEU 16 HG LEU 16 -4.981 9.702 -5.512 113 1HD1 LEU 16 1HD1 LEU 16 -4.401 7.292 -3.789 114 2HD1 LEU 16 2HD1 LEU 16 -3.316 8.122 -4.899 115 3HD1 LEU 16 3HD1 LEU 16 -4.641 7.146 -5.529 116 1HD2 LEU 16 1HD2 LEU 16 -7.317 9.436 -5.137 117 2HD2 LEU 16 2HD2 LEU 16 -7.057 8.137 -3.974 118 3HD2 LEU 16 3HD2 LEU 16 -6.757 7.856 -5.689 119 H PHE 17 H PHE 17 -1.925 9.256 -4.783 120 HA PHE 17 HA PHE 17 -2.035 11.678 -6.528 121 1HB PHE 17 2HB PHE 17 0.249 10.206 -5.339 122 2HB PHE 17 1HB PHE 17 0.416 10.549 -7.060 123 HD1 PHE 17 1HD PHE 17 1.702 12.457 -7.434 124 HD2 PHE 17 2HD PHE 17 -1.063 12.413 -4.146 125 HE1 PHE 17 1HE PHE 17 2.288 14.808 -6.911 126 HE2 PHE 17 2HE PHE 17 -0.477 14.765 -3.624 127 HZ PHE 17 HZ PHE 17 1.198 15.962 -5.005 128 H LEU 18 H LEU 18 -2.970 11.113 -8.415 129 HA LEU 18 HA LEU 18 -3.325 8.344 -9.186 130 1HB LEU 18 2HB LEU 18 -3.680 10.696 -11.044 131 2HB LEU 18 1HB LEU 18 -4.580 9.180 -11.005 132 HG LEU 18 HG LEU 18 -4.715 11.443 -8.997 133 1HD1 LEU 18 1HD1 LEU 18 -6.043 11.612 -11.128 134 2HD1 LEU 18 2HD1 LEU 18 -7.037 11.570 -9.672 135 3HD1 LEU 18 3HD1 LEU 18 -6.872 10.124 -10.669 136 1HD2 LEU 18 1HD2 LEU 18 -4.771 9.409 -7.714 137 2HD2 LEU 18 2HD2 LEU 18 -5.823 8.624 -8.889 138 3HD2 LEU 18 3HD2 LEU 18 -6.443 9.937 -7.888 139 H SER 19 H SER 19 -0.622 9.894 -8.958 140 HA SER 19 HA SER 19 0.422 9.427 -11.685 141 1HB SER 19 2HB SER 19 2.489 10.037 -9.776 142 2HB SER 19 1HB SER 19 1.936 10.984 -11.153 143 HG SER 19 HG SER 19 1.394 12.230 -9.473 144 HA PRO 20 HA PRO 20 1.519 5.234 -10.475 145 1HB PRO 20 2HB PRO 20 3.210 5.022 -12.782 146 2HB PRO 20 1HB PRO 20 1.593 4.356 -12.553 147 1HG PRO 20 2HG PRO 20 2.377 6.548 -14.231 148 2HG PRO 20 1HG PRO 20 0.761 5.872 -14.008 149 1HD PRO 20 2HD PRO 20 1.779 8.392 -13.061 150 2HD PRO 20 1HD PRO 20 0.144 7.711 -12.844 151 H LYS 21 H LYS 21 3.398 4.206 -9.575 152 HA LYS 21 HA LYS 21 6.051 5.372 -9.936 153 1HB LYS 21 2HB LYS 21 4.493 5.838 -7.392 154 2HB LYS 21 1HB LYS 21 6.256 5.786 -7.381 155 1HG LYS 21 2HG LYS 21 6.046 7.513 -9.355 156 2HG LYS 21 1HG LYS 21 4.428 7.775 -8.704 157 1HD LYS 21 2HD LYS 21 5.455 8.185 -6.457 158 2HD LYS 21 1HD LYS 21 7.046 8.074 -7.210 159 1HE LYS 21 2HE LYS 21 4.905 10.015 -8.118 160 2HE LYS 21 1HE LYS 21 6.169 10.434 -6.960 161 1HZ LYS 21 1HZ LYS 21 6.351 10.519 -9.701 162 2HZ LYS 21 2HZ LYS 21 7.255 9.152 -9.251 163 3HZ LYS 21 3HZ LYS 21 7.626 10.674 -8.594 164 H SER 22 H SER 22 7.461 3.660 -9.762 165 HA SER 22 HA SER 22 6.708 1.026 -9.162 166 1HB SER 22 2HB SER 22 9.388 2.387 -8.841 167 2HB SER 22 1HB SER 22 9.160 0.654 -8.635 168 HG SER 22 HG SER 22 9.269 2.162 -10.908 169 H TRP 23 H TRP 23 6.763 -0.244 -7.234 170 HA TRP 23 HA TRP 23 5.959 1.023 -4.836 171 1HB TRP 23 2HB TRP 23 5.602 -1.371 -5.155 172 2HB TRP 23 1HB TRP 23 7.341 -1.655 -5.213 173 HD1 TRP 23 HD TRP 23 4.475 -1.266 -2.841 174 HE1 TRP 23 1HE TRP 23 5.320 -1.419 -0.410 175 HE3 TRP 23 3HE TRP 23 9.516 -1.032 -3.639 176 HZ2 TRP 23 2HZ TRP 23 7.803 -1.436 1.009 177 HZ3 TRP 23 3HZ TRP 23 11.095 -1.119 -1.732 178 HH2 TRP 23 HH TRP 23 10.246 -1.320 0.589 179 H THR 24 H THR 24 9.066 0.602 -6.238 180 HA THR 24 HA THR 24 10.493 1.207 -3.718 181 HB THR 24 HB THR 24 11.322 -0.448 -5.474 182 HG1 THR 24 1HG THR 24 12.986 0.011 -4.286 183 1HG2 THR 24 1HG2 THR 24 10.778 1.497 -7.265 184 2HG2 THR 24 2HG2 THR 24 11.983 0.245 -7.555 185 3HG2 THR 24 3HG2 THR 24 12.484 1.834 -6.980 186 H ASP 25 H ASP 25 9.188 2.785 -6.443 187 HA ASP 25 HA ASP 25 10.903 5.170 -6.214 188 1HB ASP 25 2HB ASP 25 8.609 4.388 -8.014 189 2HB ASP 25 1HB ASP 25 9.199 6.049 -7.961 190 H ALA 26 H ALA 26 7.539 4.201 -5.519 191 HA ALA 26 HA ALA 26 6.845 6.839 -4.508 192 1HB ALA 26 1HB ALA 26 5.261 5.007 -5.425 193 2HB ALA 26 2HB ALA 26 4.751 5.865 -3.975 194 3HB ALA 26 3HB ALA 26 5.447 4.250 -3.848 195 H ASP 27 H ASP 27 8.128 3.822 -3.308 196 HA ASP 27 HA ASP 27 7.811 4.277 -0.515 197 1HB ASP 27 2HB ASP 27 8.424 2.098 -1.339 198 2HB ASP 27 1HB ASP 27 9.868 2.747 -2.119 199 H LEU 28 H LEU 28 10.424 5.127 -2.778 200 HA LEU 28 HA LEU 28 12.063 6.372 -0.735 201 1HB LEU 28 2HB LEU 28 12.875 5.456 -2.969 202 2HB LEU 28 1HB LEU 28 12.173 6.893 -3.713 203 HG LEU 28 HG LEU 28 13.566 8.177 -1.877 204 1HD1 LEU 28 1HD1 LEU 28 15.006 5.514 -2.102 205 2HD1 LEU 28 2HD1 LEU 28 14.340 6.234 -0.635 206 3HD1 LEU 28 3HD1 LEU 28 15.725 6.977 -1.432 207 1HD2 LEU 28 1HD2 LEU 28 15.559 8.112 -3.464 208 2HD2 LEU 28 2HD2 LEU 28 14.010 8.501 -4.212 209 3HD2 LEU 28 3HD2 LEU 28 14.686 6.881 -4.375 210 H ALA 29 H ALA 29 9.874 7.643 -3.256 211 HA ALA 29 HA ALA 29 10.292 10.405 -2.621 212 1HB ALA 29 1HB ALA 29 7.855 9.053 -3.814 213 2HB ALA 29 2HB ALA 29 9.232 9.681 -4.719 214 3HB ALA 29 3HB ALA 29 8.176 10.787 -3.840 215 H CYS 30 H CYS 30 7.588 8.223 -1.660 216 HA CYS 30 HA CYS 30 6.384 10.129 0.087 217 1HB CYS 30 2HB CYS 30 5.298 8.012 -0.709 218 2HB CYS 30 1HB CYS 30 6.354 7.110 0.374 219 H GLN 31 H GLN 31 9.233 8.202 0.353 220 HA GLN 31 HA GLN 31 9.380 8.369 3.275 221 1HB GLN 31 2HB GLN 31 10.469 6.476 2.216 222 2HB GLN 31 1HB GLN 31 11.406 7.544 1.174 223 1HG GLN 31 2HG GLN 31 11.601 7.825 4.165 224 2HG GLN 31 1HG GLN 31 12.517 6.563 3.341 225 1HE2 GLN 31 1HE2 GLN 31 14.137 8.383 4.497 226 2HE2 GLN 31 2HE2 GLN 31 14.760 9.492 3.374 227 H LYS 32 H LYS 32 10.538 10.114 0.472 228 HA LYS 32 HA LYS 32 12.448 11.765 1.781 229 1HB LYS 32 2HB LYS 32 12.471 11.720 -0.609 230 2HB LYS 32 1HB LYS 32 10.763 12.145 -0.701 231 1HG LYS 32 2HG LYS 32 11.154 14.376 -0.065 232 2HG LYS 32 1HG LYS 32 12.740 14.006 0.607 233 1HD LYS 32 2HD LYS 32 12.077 13.754 -2.339 234 2HD LYS 32 1HD LYS 32 12.794 15.198 -1.627 235 1HE LYS 32 2HE LYS 32 14.507 13.365 -0.644 236 2HE LYS 32 1HE LYS 32 14.012 12.518 -2.109 237 1HZ LYS 32 1HZ LYS 32 14.689 14.334 -3.438 238 2HZ LYS 32 2HZ LYS 32 15.965 14.026 -2.360 239 3HZ LYS 32 3HZ LYS 32 14.921 15.339 -2.091 240 H ARG 33 H ARG 33 9.197 11.475 2.327 241 HA ARG 33 HA ARG 33 8.708 14.327 2.926 242 1HB ARG 33 2HB ARG 33 7.057 11.871 2.651 243 2HB ARG 33 1HB ARG 33 6.471 13.073 3.792 244 1HG ARG 33 2HG ARG 33 6.691 14.804 1.973 245 2HG ARG 33 1HG ARG 33 7.083 13.499 0.853 246 1HD ARG 33 2HD ARG 33 4.877 12.412 1.671 247 2HD ARG 33 1HD ARG 33 4.491 14.011 2.306 248 HE ARG 33 HE ARG 33 5.317 14.046 -0.495 249 1HH1 ARG 33 1HH2 ARG 33 3.282 15.817 0.990 250 2HH1 ARG 33 2HH2 ARG 33 1.810 15.325 0.220 251 1HH2 ARG 33 1HH1 ARG 33 3.187 12.464 -1.173 252 2HH2 ARG 33 2HH1 ARG 33 1.757 13.427 -1.005 253 HA PRO 34 HA PRO 34 9.623 14.374 7.214 254 1HB PRO 34 2HB PRO 34 6.920 14.812 8.142 255 2HB PRO 34 1HB PRO 34 8.236 15.981 8.009 256 1HG PRO 34 2HG PRO 34 5.929 15.602 6.253 257 2HG PRO 34 1HG PRO 34 7.069 16.952 6.318 258 1HD PRO 34 2HD PRO 34 6.935 15.096 4.248 259 2HD PRO 34 1HD PRO 34 8.365 16.088 4.616 260 H SER 35 H SER 35 10.031 12.038 7.090 261 HA SER 35 HA SER 35 9.782 9.874 7.921 262 1HB SER 35 2HB SER 35 9.024 11.326 9.976 263 2HB SER 35 1HB SER 35 7.411 10.769 9.543 264 HG SER 35 HG SER 35 9.677 9.116 10.005 265 H GLY 36 H GLY 36 7.998 11.179 5.727 266 1HA GLY 36 2HA GLY 36 5.527 9.696 5.775 267 2HA GLY 36 1HA GLY 36 6.226 10.468 4.353 268 H ASN 37 H ASN 37 5.164 8.246 3.641 269 HA ASN 37 HA ASN 37 7.021 6.596 2.449 270 1HB ASN 37 2HB ASN 37 6.761 5.976 5.338 271 2HB ASN 37 1HB ASN 37 6.576 4.582 4.278 272 1HD2 ASN 37 1HD2 ASN 37 8.374 4.448 2.491 273 2HD2 ASN 37 2HD2 ASN 37 9.948 4.840 2.988 274 H LEU 38 H LEU 38 5.905 5.059 1.170 275 HA LEU 38 HA LEU 38 3.379 5.175 0.391 276 1HB LEU 38 2HB LEU 38 4.826 2.640 1.148 277 2HB LEU 38 1HB LEU 38 3.265 2.616 0.330 278 HG LEU 38 HG LEU 38 5.598 4.212 -0.720 279 1HD1 LEU 38 1HD1 LEU 38 6.102 2.352 -2.222 280 2HD1 LEU 38 2HD1 LEU 38 4.809 1.391 -1.505 281 3HD1 LEU 38 3HD1 LEU 38 6.233 1.807 -0.551 282 1HD2 LEU 38 1HD2 LEU 38 3.886 3.229 -2.749 283 2HD2 LEU 38 2HD2 LEU 38 4.039 4.890 -2.179 284 3HD2 LEU 38 3HD2 LEU 38 2.838 3.823 -1.465 285 H VAL 39 H VAL 39 1.322 4.999 1.132 286 HA VAL 39 HA VAL 39 0.460 5.372 3.662 287 HB VAL 39 HB VAL 39 -1.165 5.302 1.943 288 1HG1 VAL 39 1HG1 VAL 39 -1.713 3.220 0.720 289 2HG1 VAL 39 2HG1 VAL 39 -0.434 2.379 1.595 290 3HG1 VAL 39 3HG1 VAL 39 -0.029 3.685 0.481 291 1HG2 VAL 39 1HG2 VAL 39 -1.823 4.395 4.268 292 2HG2 VAL 39 2HG2 VAL 39 -1.805 2.802 3.516 293 3HG2 VAL 39 3HG2 VAL 39 -2.916 4.041 2.932 294 H SER 40 H SER 40 -0.184 4.155 5.460 295 HA SER 40 HA SER 40 1.183 1.508 5.733 296 1HB SER 40 2HB SER 40 0.196 2.627 8.222 297 2HB SER 40 1HB SER 40 1.849 2.243 7.760 298 HG SER 40 HG SER 40 1.302 4.339 6.382 299 H VAL 41 H VAL 41 -0.069 0.103 7.525 300 HA VAL 41 HA VAL 41 -2.955 0.387 7.580 301 HB VAL 41 HB VAL 41 -2.679 -2.158 6.299 302 1HG1 VAL 41 1HG1 VAL 41 -4.218 -1.164 4.668 303 2HG1 VAL 41 2HG1 VAL 41 -3.848 0.446 5.284 304 3HG1 VAL 41 3HG1 VAL 41 -4.682 -0.721 6.311 305 1HG2 VAL 41 1HG2 VAL 41 -1.617 -1.751 4.252 306 2HG2 VAL 41 2HG2 VAL 41 -0.546 -0.932 5.384 307 3HG2 VAL 41 3HG2 VAL 41 -1.703 -0.001 4.433 308 H LEU 42 H LEU 42 -2.636 0.023 9.851 309 HA LEU 42 HA LEU 42 -1.738 -2.742 10.572 310 1HB LEU 42 2HB LEU 42 -1.617 -0.154 12.118 311 2HB LEU 42 1HB LEU 42 -1.448 -1.723 12.903 312 HG LEU 42 HG LEU 42 0.258 -0.731 10.620 313 1HD1 LEU 42 1HD1 LEU 42 1.396 0.397 12.213 314 2HD1 LEU 42 2HD1 LEU 42 1.819 -1.158 12.927 315 3HD1 LEU 42 3HD1 LEU 42 0.396 -0.290 13.490 316 1HD2 LEU 42 1HD2 LEU 42 0.560 -2.978 10.386 317 2HD2 LEU 42 2HD2 LEU 42 -0.071 -3.339 11.985 318 3HD2 LEU 42 3HD2 LEU 42 1.601 -2.812 11.796 319 H SER 43 H SER 43 -4.554 -1.374 9.938 320 HA SER 43 HA SER 43 -5.916 -2.940 12.052 321 1HB SER 43 2HB SER 43 -5.924 -0.859 13.172 322 2HB SER 43 1HB SER 43 -6.197 0.040 11.683 323 HG SER 43 HG SER 43 -7.975 -1.339 13.311 324 H GLY 44 H GLY 44 -8.003 -3.616 11.447 325 1HA GLY 44 2HA GLY 44 -8.511 -3.841 8.633 326 2HA GLY 44 1HA GLY 44 -9.661 -4.252 9.908 327 H ALA 45 H ALA 45 -9.074 -1.327 10.865 328 HA ALA 45 HA ALA 45 -11.344 -0.162 9.394 329 1HB ALA 45 1HB ALA 45 -9.639 0.939 11.652 330 2HB ALA 45 2HB ALA 45 -11.207 0.154 11.830 331 3HB ALA 45 3HB ALA 45 -11.087 1.710 11.009 332 H GLU 46 H GLU 46 -7.862 0.379 9.797 333 HA GLU 46 HA GLU 46 -7.780 2.763 8.166 334 1HB GLU 46 2HB GLU 46 -6.002 1.992 9.830 335 2HB GLU 46 1HB GLU 46 -5.506 0.814 8.614 336 1HG GLU 46 2HG GLU 46 -5.158 2.663 6.993 337 2HG GLU 46 1HG GLU 46 -5.593 3.824 8.246 338 H GLY 47 H GLY 47 -7.167 -0.693 7.534 339 1HA GLY 47 2HA GLY 47 -6.417 -0.435 4.803 340 2HA GLY 47 1HA GLY 47 -7.168 -1.873 5.499 341 H SER 48 H SER 48 -9.540 -0.326 6.385 342 HA SER 48 HA SER 48 -11.020 -0.451 3.847 343 1HB SER 48 2HB SER 48 -12.101 -1.378 5.822 344 2HB SER 48 1HB SER 48 -11.883 0.134 6.697 345 HG SER 48 HG SER 48 -13.518 -0.392 4.442 346 H PHE 49 H PHE 49 -9.832 1.939 6.130 347 HA PHE 49 HA PHE 49 -11.289 4.186 5.070 348 1HB PHE 49 2HB PHE 49 -10.088 4.102 7.303 349 2HB PHE 49 1HB PHE 49 -8.573 4.242 6.413 350 HD1 PHE 49 1HD PHE 49 -7.768 6.358 5.758 351 HD2 PHE 49 2HD PHE 49 -11.892 5.905 6.873 352 HE1 PHE 49 1HE PHE 49 -8.072 8.815 5.631 353 HE2 PHE 49 2HE PHE 49 -12.196 8.364 6.747 354 HZ PHE 49 HZ PHE 49 -10.285 9.820 6.125 355 H VAL 50 H VAL 50 -8.100 2.773 4.375 356 HA VAL 50 HA VAL 50 -7.301 4.766 2.471 357 HB VAL 50 HB VAL 50 -6.510 1.842 2.667 358 1HG1 VAL 50 1HG1 VAL 50 -5.411 4.175 1.090 359 2HG1 VAL 50 2HG1 VAL 50 -5.906 2.593 0.488 360 3HG1 VAL 50 3HG1 VAL 50 -4.440 2.750 1.457 361 1HG2 VAL 50 1HG2 VAL 50 -4.577 2.678 3.899 362 2HG2 VAL 50 2HG2 VAL 50 -6.046 3.251 4.689 363 3HG2 VAL 50 3HG2 VAL 50 -5.112 4.343 3.669 364 H SER 51 H SER 51 -9.049 1.685 2.174 365 HA SER 51 HA SER 51 -9.204 1.550 -0.647 366 1HB SER 51 2HB SER 51 -10.028 -0.341 0.482 367 2HB SER 51 1HB SER 51 -11.017 0.624 1.574 368 HG SER 51 HG SER 51 -12.342 -0.287 0.018 369 H SER 52 H SER 52 -11.205 3.346 1.676 370 HA SER 52 HA SER 52 -13.050 4.335 -0.328 371 1HB SER 52 2HB SER 52 -13.470 4.195 2.184 372 2HB SER 52 1HB SER 52 -12.440 5.614 2.345 373 HG SER 52 HG SER 52 -14.750 6.027 2.109 374 H LEU 53 H LEU 53 -9.901 5.293 0.786 375 HA LEU 53 HA LEU 53 -10.084 8.028 -0.219 376 1HB LEU 53 2HB LEU 53 -8.526 7.798 1.528 377 2HB LEU 53 1HB LEU 53 -7.900 6.281 0.894 378 HG LEU 53 HG LEU 53 -6.918 7.542 -1.039 379 1HD1 LEU 53 1HD1 LEU 53 -7.775 9.956 0.600 380 2HD1 LEU 53 2HD1 LEU 53 -8.463 9.485 -0.953 381 3HD1 LEU 53 3HD1 LEU 53 -6.783 10.003 -0.856 382 1HD2 LEU 53 1HD2 LEU 53 -6.032 8.680 1.625 383 2HD2 LEU 53 2HD2 LEU 53 -5.041 8.376 0.199 384 3HD2 LEU 53 3HD2 LEU 53 -5.686 7.023 1.128 385 H VAL 54 H VAL 54 -9.255 4.899 -1.492 386 HA VAL 54 HA VAL 54 -8.385 6.208 -4.040 387 HB VAL 54 HB VAL 54 -6.971 4.268 -4.454 388 1HG1 VAL 54 1HG1 VAL 54 -5.304 4.728 -2.825 389 2HG1 VAL 54 2HG1 VAL 54 -6.503 5.087 -1.582 390 3HG1 VAL 54 3HG1 VAL 54 -6.253 6.211 -2.918 391 1HG2 VAL 54 1HG2 VAL 54 -6.719 2.635 -2.456 392 2HG2 VAL 54 2HG2 VAL 54 -8.137 2.442 -3.486 393 3HG2 VAL 54 3HG2 VAL 54 -8.283 3.255 -1.929 394 H LYS 55 H LYS 55 -11.088 5.127 -2.915 395 HA LYS 55 HA LYS 55 -11.784 2.883 -4.597 396 1HB LYS 55 2HB LYS 55 -13.030 3.631 -2.515 397 2HB LYS 55 1HB LYS 55 -13.670 4.969 -3.465 398 1HG LYS 55 2HG LYS 55 -15.361 3.421 -3.798 399 2HG LYS 55 1HG LYS 55 -14.315 3.005 -5.151 400 1HD LYS 55 2HD LYS 55 -14.874 0.943 -4.050 401 2HD LYS 55 1HD LYS 55 -13.199 1.304 -3.641 402 1HE LYS 55 2HE LYS 55 -13.684 1.714 -1.431 403 2HE LYS 55 1HE LYS 55 -15.270 2.394 -1.795 404 1HZ LYS 55 1HZ LYS 55 -14.568 -0.276 -1.103 405 2HZ LYS 55 2HZ LYS 55 -15.428 -0.230 -2.568 406 3HZ LYS 55 3HZ LYS 55 -16.097 0.453 -1.164 407 H SER 56 H SER 56 -11.710 6.348 -5.048 408 HA SER 56 HA SER 56 -13.111 6.116 -7.663 409 1HB SER 56 2HB SER 56 -13.116 8.561 -7.650 410 2HB SER 56 1HB SER 56 -13.734 7.974 -6.110 411 HG SER 56 HG SER 56 -11.610 9.528 -6.599 412 H ILE 57 H ILE 57 -10.575 4.875 -7.367 413 HA ILE 57 HA ILE 57 -8.358 6.400 -8.159 414 HB ILE 57 HB ILE 57 -7.826 4.247 -7.504 415 1HG1 ILE 57 2HG1 ILE 57 -6.933 3.020 -9.377 416 2HG1 ILE 57 1HG1 ILE 57 -8.086 3.760 -10.482 417 1HG2 ILE 57 1HG2 ILE 57 -9.941 3.237 -7.336 418 2HG2 ILE 57 2HG2 ILE 57 -9.109 2.240 -8.524 419 3HG2 ILE 57 3HG2 ILE 57 -10.280 3.445 -9.052 420 1HD1 ILE 57 1HD1 ILE 57 -5.519 4.658 -10.058 421 2HD1 ILE 57 2HD1 ILE 57 -6.443 5.706 -8.998 422 3HD1 ILE 57 3HD1 ILE 57 -6.821 5.639 -10.717 423 H GLY 58 H GLY 58 -10.386 4.382 -10.337 424 1HA GLY 58 2HA GLY 58 -11.210 5.947 -12.312 425 2HA GLY 58 1HA GLY 58 -9.476 6.075 -12.607 426 H ASN 59 H ASN 59 -11.527 4.878 -14.345 427 HA ASN 59 HA ASN 59 -11.516 2.058 -14.269 428 1HB ASN 59 2HB ASN 59 -11.707 3.976 -16.601 429 2HB ASN 59 1HB ASN 59 -11.959 2.236 -16.751 430 1HD2 ASN 59 1HD2 ASN 59 -13.702 1.315 -15.207 431 2HD2 ASN 59 2HD2 ASN 59 -15.054 2.292 -14.892 432 H SER 60 H SER 60 -9.317 4.286 -15.998 433 HA SER 60 HA SER 60 -7.666 2.195 -17.085 434 1HB SER 60 2HB SER 60 -6.748 5.008 -16.466 435 2HB SER 60 1HB SER 60 -6.170 3.934 -17.736 436 HG SER 60 HG SER 60 -8.025 5.722 -17.960 437 H TYR 61 H TYR 61 -8.233 2.286 -14.062 438 HA TYR 61 HA TYR 61 -5.568 1.417 -13.250 439 1HB TYR 61 2HB TYR 61 -6.797 3.934 -12.159 440 2HB TYR 61 1HB TYR 61 -5.577 3.016 -11.276 441 HD1 TYR 61 1HD TYR 61 -6.050 5.665 -13.517 442 HD2 TYR 61 2HD TYR 61 -3.474 2.300 -12.807 443 HE1 TYR 61 1HE TYR 61 -4.270 6.739 -14.872 444 HE2 TYR 61 2HE TYR 61 -1.697 3.375 -14.161 445 HH TYR 61 HH TYR 61 -1.364 5.028 -15.775 446 H SER 62 H SER 62 -5.984 -0.370 -12.066 447 HA SER 62 HA SER 62 -8.514 -0.447 -10.456 448 1HB SER 62 2HB SER 62 -7.147 -2.462 -12.187 449 2HB SER 62 1HB SER 62 -7.979 -3.049 -10.750 450 HG SER 62 HG SER 62 -9.615 -2.950 -12.110 451 H TYR 63 H TYR 63 -5.048 -1.171 -10.487 452 HA TYR 63 HA TYR 63 -5.277 -1.994 -7.631 453 1HB TYR 63 2HB TYR 63 -3.167 -2.444 -9.729 454 2HB TYR 63 1HB TYR 63 -2.850 -2.723 -8.017 455 HD1 TYR 63 1HD TYR 63 -5.507 -3.480 -10.565 456 HD2 TYR 63 2HD TYR 63 -3.233 -4.869 -7.198 457 HE1 TYR 63 1HE TYR 63 -6.628 -5.686 -10.715 458 HE2 TYR 63 2HE TYR 63 -4.347 -7.077 -7.354 459 HH TYR 63 HH TYR 63 -6.293 -7.964 -10.062 460 H VAL 64 H VAL 64 -3.592 -1.205 -6.149 461 HA VAL 64 HA VAL 64 -2.427 1.446 -6.892 462 HB VAL 64 HB VAL 64 -4.140 0.862 -4.449 463 1HG1 VAL 64 1HG1 VAL 64 -3.062 3.551 -5.263 464 2HG1 VAL 64 2HG1 VAL 64 -2.152 2.482 -4.193 465 3HG1 VAL 64 3HG1 VAL 64 -3.744 3.062 -3.714 466 1HG2 VAL 64 1HG2 VAL 64 -5.503 1.135 -6.434 467 2HG2 VAL 64 2HG2 VAL 64 -4.597 2.573 -6.904 468 3HG2 VAL 64 3HG2 VAL 64 -5.624 2.606 -5.471 469 H TRP 65 H TRP 65 -0.433 1.827 -5.853 470 HA TRP 65 HA TRP 65 0.813 -0.498 -4.596 471 1HB TRP 65 2HB TRP 65 1.697 2.115 -5.646 472 2HB TRP 65 1HB TRP 65 2.619 1.552 -4.264 473 HD1 TRP 65 HD TRP 65 3.414 1.783 -7.466 474 HE1 TRP 65 1HE TRP 65 4.582 -0.249 -8.523 475 HE3 TRP 65 3HE TRP 65 2.077 -1.861 -4.127 476 HZ2 TRP 65 2HZ TRP 65 4.880 -3.033 -8.046 477 HZ3 TRP 65 3HZ TRP 65 2.820 -4.191 -4.474 478 HH2 TRP 65 HH TRP 65 4.220 -4.785 -6.423 479 H ILE 66 H ILE 66 1.586 -0.603 -2.413 480 HA ILE 66 HA ILE 66 0.835 1.671 -0.638 481 HB ILE 66 HB ILE 66 -0.004 0.028 1.070 482 1HG1 ILE 66 2HG1 ILE 66 0.130 -1.873 -1.283 483 2HG1 ILE 66 1HG1 ILE 66 1.042 -2.006 0.220 484 1HG2 ILE 66 1HG2 ILE 66 -2.202 -0.090 0.149 485 2HG2 ILE 66 2HG2 ILE 66 -1.581 -0.173 -1.499 486 3HG2 ILE 66 3HG2 ILE 66 -1.465 1.332 -0.589 487 1HD1 ILE 66 1HD1 ILE 66 -1.235 -2.032 1.411 488 2HD1 ILE 66 2HD1 ILE 66 -0.815 -3.478 0.492 489 3HD1 ILE 66 3HD1 ILE 66 -1.942 -2.301 -0.181 490 H GLY 67 H GLY 67 1.841 1.063 1.674 491 1HA GLY 67 2HA GLY 67 4.660 0.513 1.141 492 2HA GLY 67 1HA GLY 67 3.985 1.085 2.666 493 H LEU 68 H LEU 68 3.612 -1.819 0.614 494 HA LEU 68 HA LEU 68 4.207 -3.445 3.048 495 1HB LEU 68 2HB LEU 68 1.707 -3.357 2.241 496 2HB LEU 68 1HB LEU 68 2.277 -4.430 0.970 497 HG LEU 68 HG LEU 68 1.593 -5.954 2.606 498 1HD1 LEU 68 1HD1 LEU 68 4.444 -5.451 3.488 499 2HD1 LEU 68 2HD1 LEU 68 4.012 -6.312 2.010 500 3HD1 LEU 68 3HD1 LEU 68 3.550 -6.958 3.578 501 1HD2 LEU 68 1HD2 LEU 68 0.957 -4.730 4.449 502 2HD2 LEU 68 2HD2 LEU 68 2.469 -3.827 4.519 503 3HD2 LEU 68 3HD2 LEU 68 2.411 -5.497 5.083 504 H HIS 69 H HIS 69 5.838 -4.898 2.694 505 HA HIS 69 HA HIS 69 6.324 -5.824 -0.084 506 1HB HIS 69 2HB HIS 69 8.712 -5.379 0.079 507 2HB HIS 69 1HB HIS 69 7.826 -3.876 0.332 508 HD1 HIS 69 1HD HIS 69 10.492 -5.754 1.783 509 HD2 HIS 69 2HD HIS 69 7.318 -3.554 3.328 510 HE1 HIS 69 1HE HIS 69 11.088 -5.233 4.189 511 H ASP 70 H ASP 70 8.325 -7.410 0.129 512 HA ASP 70 HA ASP 70 7.609 -9.327 2.310 513 1HB ASP 70 2HB ASP 70 8.850 -9.852 -0.405 514 2HB ASP 70 1HB ASP 70 8.456 -11.081 0.797 515 HA PRO 71 HA PRO 71 11.873 -7.835 3.295 516 1HB PRO 71 2HB PRO 71 11.422 -8.801 5.973 517 2HB PRO 71 1HB PRO 71 11.537 -7.130 5.419 518 1HG PRO 71 2HG PRO 71 9.215 -8.507 6.309 519 2HG PRO 71 1HG PRO 71 9.318 -6.863 5.677 520 1HD PRO 71 2HD PRO 71 8.201 -9.214 4.398 521 2HD PRO 71 1HD PRO 71 8.209 -7.534 3.810 522 H THR 72 H THR 72 10.594 -10.731 2.692 523 HA THR 72 HA THR 72 12.779 -12.345 3.914 524 HB THR 72 HB THR 72 10.627 -13.342 4.229 525 HG1 THR 72 1HG THR 72 10.838 -15.226 2.922 526 1HG2 THR 72 1HG2 THR 72 9.223 -13.854 2.130 527 2HG2 THR 72 2HG2 THR 72 10.229 -12.652 1.321 528 3HG2 THR 72 3HG2 THR 72 9.238 -12.188 2.704 529 H GLN 73 H GLN 73 11.667 -11.029 0.884 530 HA GLN 73 HA GLN 73 12.496 -11.264 -1.309 531 1HB GLN 73 2HB GLN 73 14.970 -11.386 0.426 532 2HB GLN 73 1HB GLN 73 15.055 -11.344 -1.336 533 1HG GLN 73 2HG GLN 73 13.733 -9.243 -1.333 534 2HG GLN 73 1HG GLN 73 13.720 -9.273 0.432 535 1HE2 GLN 73 1HE2 GLN 73 15.564 -8.465 1.518 536 2HE2 GLN 73 2HE2 GLN 73 16.973 -7.947 0.725 537 H GLY 74 H GLY 74 11.586 -13.752 -0.047 538 1HA GLY 74 2HA GLY 74 11.504 -15.941 -1.029 539 2HA GLY 74 1HA GLY 74 13.056 -15.626 -1.806 540 H THR 75 H THR 75 12.084 -15.381 1.622 541 HA THR 75 HA THR 75 13.828 -17.671 2.295 542 HB THR 75 HB THR 75 15.123 -16.349 3.938 543 HG1 THR 75 1HG THR 75 13.315 -14.681 3.868 544 1HG2 THR 75 1HG2 THR 75 15.868 -16.674 1.523 545 2HG2 THR 75 2HG2 THR 75 16.603 -15.313 2.372 546 3HG2 THR 75 3HG2 THR 75 15.297 -15.032 1.222 547 H GLU 76 H GLU 76 11.182 -17.824 2.569 548 HA GLU 76 HA GLU 76 10.812 -17.823 5.491 549 1HB GLU 76 2HB GLU 76 10.035 -15.552 4.570 550 2HB GLU 76 1HB GLU 76 8.737 -16.445 3.778 551 1HG GLU 76 2HG GLU 76 7.876 -15.685 5.890 552 2HG GLU 76 1HG GLU 76 8.163 -17.419 6.048 553 HA PRO 77 HA PRO 77 8.952 -21.340 3.010 554 1HB PRO 77 2HB PRO 77 10.036 -23.107 5.014 555 2HB PRO 77 1HB PRO 77 10.491 -22.970 3.314 556 1HG PRO 77 2HG PRO 77 12.012 -22.157 5.586 557 2HG PRO 77 1HG PRO 77 12.422 -21.937 3.882 558 1HD PRO 77 2HD PRO 77 11.565 -19.931 5.805 559 2HD PRO 77 1HD PRO 77 12.103 -19.691 4.124 560 H ASN 78 H ASN 78 7.657 -19.607 4.971 561 HA ASN 78 HA ASN 78 5.845 -21.623 6.188 562 1HB ASN 78 2HB ASN 78 6.939 -19.261 7.746 563 2HB ASN 78 1HB ASN 78 5.859 -20.519 8.348 564 1HD2 ASN 78 1HD2 ASN 78 8.972 -19.636 8.655 565 2HD2 ASN 78 2HD2 ASN 78 9.725 -21.153 8.762 566 H GLY 79 H GLY 79 6.487 -18.268 5.270 567 1HA GLY 79 2HA GLY 79 4.896 -16.933 4.041 568 2HA GLY 79 1HA GLY 79 3.598 -17.965 4.643 569 H GLU 80 H GLU 80 6.189 -16.051 6.208 570 HA GLU 80 HA GLU 80 4.176 -14.369 7.536 571 1HB GLU 80 2HB GLU 80 5.925 -16.324 9.050 572 2HB GLU 80 1HB GLU 80 5.129 -14.949 9.816 573 1HG GLU 80 2HG GLU 80 2.947 -15.845 8.818 574 2HG GLU 80 1HG GLU 80 3.841 -17.323 8.457 575 H GLY 81 H GLY 81 5.690 -13.105 5.950 576 1HA GLY 81 2HA GLY 81 7.902 -11.959 7.595 577 2HA GLY 81 1HA GLY 81 8.211 -12.400 5.916 578 H TRP 82 H TRP 82 5.655 -11.589 4.885 579 HA TRP 82 HA TRP 82 5.962 -9.093 3.906 580 1HB TRP 82 2HB TRP 82 3.284 -8.937 4.580 581 2HB TRP 82 1HB TRP 82 3.924 -9.775 3.166 582 HD1 TRP 82 HD TRP 82 4.419 -12.443 3.470 583 HE1 TRP 82 1HE TRP 82 3.216 -14.185 4.939 584 HE3 TRP 82 3HE TRP 82 2.031 -9.336 6.744 585 HZ2 TRP 82 2HZ TRP 82 1.470 -14.253 7.204 586 HZ3 TRP 82 3HZ TRP 82 0.607 -10.266 8.546 587 HH2 TRP 82 HH TRP 82 0.323 -12.717 8.780 588 H GLU 83 H GLU 83 6.454 -7.114 4.779 589 HA GLU 83 HA GLU 83 5.180 -6.401 7.391 590 1HB GLU 83 2HB GLU 83 7.748 -7.143 7.408 591 2HB GLU 83 1HB GLU 83 7.982 -5.481 6.867 592 1HG GLU 83 2HG GLU 83 6.455 -4.811 8.828 593 2HG GLU 83 1HG GLU 83 6.705 -6.450 9.427 594 H TRP 84 H TRP 84 4.783 -4.118 7.596 595 HA TRP 84 HA TRP 84 4.516 -2.784 5.023 596 1HB TRP 84 2HB TRP 84 3.983 -1.148 7.382 597 2HB TRP 84 1HB TRP 84 2.905 -1.568 6.053 598 HD1 TRP 84 HD TRP 84 4.381 -3.189 9.228 599 HE1 TRP 84 1HE TRP 84 2.634 -4.807 10.196 600 HE3 TRP 84 3HE TRP 84 0.743 -2.778 5.678 601 HZ2 TRP 84 2HZ TRP 84 0.040 -5.802 9.554 602 HZ3 TRP 84 3HZ TRP 84 -1.362 -4.073 5.882 603 HH2 TRP 84 HH TRP 84 -1.716 -5.584 7.816 604 H SER 85 H SER 85 5.738 -1.062 4.299 605 HA SER 85 HA SER 85 8.247 -0.582 5.758 606 1HB SER 85 2HB SER 85 8.928 0.670 3.766 607 2HB SER 85 1HB SER 85 8.253 -0.883 3.281 608 HG SER 85 HG SER 85 6.190 0.566 3.322 609 H SER 86 H SER 86 5.216 0.595 5.979 610 HA SER 86 HA SER 86 6.198 3.185 7.060 611 1HB SER 86 2HB SER 86 4.949 3.120 4.658 612 2HB SER 86 1HB SER 86 3.544 3.204 5.712 613 HG SER 86 HG SER 86 4.849 5.219 4.970 614 H SER 87 H SER 87 4.695 0.323 7.722 615 HA SER 87 HA SER 87 2.916 1.659 9.745 616 1HB SER 87 2HB SER 87 2.147 -0.123 7.719 617 2HB SER 87 1HB SER 87 2.096 -1.061 9.209 618 HG SER 87 HG SER 87 0.152 0.067 8.865 619 H ASP 88 H ASP 88 5.784 0.206 9.623 620 HA ASP 88 HA ASP 88 7.057 -0.536 11.484 621 1HB ASP 88 2HB ASP 88 4.954 0.361 12.822 622 2HB ASP 88 1HB ASP 88 4.592 -1.355 12.996 623 H VAL 89 H VAL 89 5.520 -2.823 13.060 624 HA VAL 89 HA VAL 89 6.471 -4.945 11.233 625 HB VAL 89 HB VAL 89 5.856 -6.352 13.360 626 1HG1 VAL 89 1HG1 VAL 89 8.102 -4.324 13.240 627 2HG1 VAL 89 2HG1 VAL 89 8.150 -6.003 12.699 628 3HG1 VAL 89 3HG1 VAL 89 8.035 -5.633 14.419 629 1HG2 VAL 89 1HG2 VAL 89 5.684 -5.147 15.403 630 2HG2 VAL 89 2HG2 VAL 89 4.582 -4.322 14.302 631 3HG2 VAL 89 3HG2 VAL 89 6.171 -3.634 14.642 632 H MET 90 H MET 90 4.988 -7.060 11.579 633 HA MET 90 HA MET 90 2.476 -6.450 10.275 634 1HB MET 90 2HB MET 90 3.644 -9.005 11.390 635 2HB MET 90 1HB MET 90 2.096 -8.938 10.550 636 1HG MET 90 2HG MET 90 3.106 -8.236 8.519 637 2HG MET 90 1HG MET 90 4.625 -7.835 9.321 638 1HE MET 90 1HE MET 90 6.526 -9.200 9.445 639 2HE MET 90 2HE MET 90 6.551 -10.936 9.745 640 3HE MET 90 3HE MET 90 5.796 -9.859 10.917 641 H ASN 91 H ASN 91 1.257 -5.156 11.803 642 HA ASN 91 HA ASN 91 0.445 -6.614 14.287 643 1HB ASN 91 2HB ASN 91 1.154 -3.905 13.837 644 2HB ASN 91 1HB ASN 91 -0.587 -3.908 14.119 645 1HD2 ASN 91 1HD2 ASN 91 -1.062 -5.743 16.033 646 2HD2 ASN 91 2HD2 ASN 91 -0.132 -5.474 17.427 647 H TYR 92 H TYR 92 -0.462 -6.464 11.207 648 HA TYR 92 HA TYR 92 -3.242 -7.087 11.840 649 1HB TYR 92 2HB TYR 92 -3.412 -4.673 11.636 650 2HB TYR 92 1HB TYR 92 -2.550 -4.716 10.102 651 HD1 TYR 92 1HD TYR 92 -5.410 -6.670 11.582 652 HD2 TYR 92 2HD TYR 92 -3.952 -4.319 8.293 653 HE1 TYR 92 1HE TYR 92 -7.542 -7.034 10.378 654 HE2 TYR 92 2HE TYR 92 -6.089 -4.685 7.090 655 HH TYR 92 HH TYR 92 -8.828 -6.237 8.639 656 H PHE 93 H PHE 93 -4.356 -8.050 9.942 657 HA PHE 93 HA PHE 93 -2.511 -8.762 7.698 658 1HB PHE 93 2HB PHE 93 -3.524 -11.100 7.822 659 2HB PHE 93 1HB PHE 93 -2.406 -10.683 9.120 660 HD1 PHE 93 1HD PHE 93 -5.845 -11.506 8.258 661 HD2 PHE 93 2HD PHE 93 -3.289 -9.988 11.358 662 HE1 PHE 93 1HE PHE 93 -7.627 -11.925 9.932 663 HE2 PHE 93 2HE PHE 93 -5.071 -10.406 13.033 664 HZ PHE 93 HZ PHE 93 -7.240 -11.375 12.319 665 H ALA 94 H ALA 94 -3.557 -9.086 5.695 666 HA ALA 94 HA ALA 94 -6.403 -9.333 5.401 667 1HB ALA 94 1HB ALA 94 -5.652 -6.662 4.357 668 2HB ALA 94 2HB ALA 94 -5.745 -6.781 6.114 669 3HB ALA 94 3HB ALA 94 -7.147 -7.191 5.129 670 H TRP 95 H TRP 95 -3.702 -10.204 4.308 671 HA TRP 95 HA TRP 95 -3.598 -9.293 1.561 672 1HB TRP 95 2HB TRP 95 -2.288 -11.707 1.535 673 2HB TRP 95 1HB TRP 95 -1.540 -10.182 2.005 674 HD1 TRP 95 HD TRP 95 -0.707 -9.972 4.414 675 HE1 TRP 95 1HE TRP 95 -0.862 -11.433 6.532 676 HE3 TRP 95 3HE TRP 95 -4.008 -13.519 2.799 677 HZ2 TRP 95 2HZ TRP 95 -2.210 -13.793 7.424 678 HZ3 TRP 95 3HZ TRP 95 -4.709 -15.359 4.303 679 HH2 TRP 95 HH TRP 95 -3.816 -15.502 6.611 680 H GLU 96 H GLU 96 -4.133 -10.609 -0.323 681 HA GLU 96 HA GLU 96 -6.711 -11.886 -0.093 682 1HB GLU 96 2HB GLU 96 -5.737 -10.673 -2.138 683 2HB GLU 96 1HB GLU 96 -4.826 -12.152 -2.442 684 1HG GLU 96 2HG GLU 96 -6.854 -12.308 -3.725 685 2HG GLU 96 1HG GLU 96 -7.028 -13.406 -2.355 686 H ARG 97 H ARG 97 -3.397 -13.107 -0.523 687 HA ARG 97 HA ARG 97 -4.277 -15.720 0.540 688 1HB ARG 97 2HB ARG 97 -4.455 -15.618 -2.070 689 2HB ARG 97 1HB ARG 97 -2.695 -15.713 -2.025 690 1HG ARG 97 2HG ARG 97 -2.803 -17.793 -0.748 691 2HG ARG 97 1HG ARG 97 -4.561 -17.683 -0.671 692 1HD ARG 97 2HD ARG 97 -2.862 -18.073 -3.148 693 2HD ARG 97 1HD ARG 97 -4.018 -19.212 -2.455 694 HE ARG 97 HE ARG 97 -5.592 -17.029 -2.971 695 1HH1 ARG 97 1HH1 ARG 97 -5.922 -19.411 -4.665 696 2HH1 ARG 97 2HH1 ARG 97 -5.506 -18.832 -6.243 697 1HH2 ARG 97 1HH2 ARG 97 -3.898 -15.993 -5.067 698 2HH2 ARG 97 2HH2 ARG 97 -4.360 -16.898 -6.471 699 H ASN 98 H ASN 98 -2.390 -17.070 1.140 700 HA ASN 98 HA ASN 98 -0.206 -15.406 2.121 701 1HB ASN 98 2HB ASN 98 -0.261 -18.419 2.224 702 2HB ASN 98 1HB ASN 98 0.470 -17.294 3.369 703 1HD2 ASN 98 1HD2 ASN 98 -2.265 -15.697 2.833 704 2HD2 ASN 98 2HD2 ASN 98 -3.310 -16.429 3.952 705 HA PRO 99 HA PRO 99 2.499 -15.918 -1.375 706 1HB PRO 99 2HB PRO 99 4.853 -16.176 0.265 707 2HB PRO 99 1HB PRO 99 4.290 -14.758 -0.624 708 1HG PRO 99 2HG PRO 99 4.234 -15.225 2.225 709 2HG PRO 99 1HG PRO 99 3.773 -13.767 1.342 710 1HD PRO 99 2HD PRO 99 2.026 -15.589 2.678 711 2HD PRO 99 1HD PRO 99 1.559 -14.218 1.638 712 H SER 100 H SER 100 2.550 -18.175 1.306 713 HA SER 100 HA SER 100 4.281 -20.145 0.133 714 1HB SER 100 2HB SER 100 3.237 -21.695 1.774 715 2HB SER 100 1HB SER 100 3.737 -20.180 2.521 716 HG SER 100 HG SER 100 1.388 -21.225 2.643 717 H THR 101 H THR 101 1.101 -19.157 -0.642 718 HA THR 101 HA THR 101 0.319 -21.752 -1.804 719 HB THR 101 HB THR 101 -1.707 -20.492 -2.543 720 HG1 THR 101 1HG THR 101 -0.975 -18.462 -2.828 721 1HG2 THR 101 1HG2 THR 101 -2.659 -20.317 -0.377 722 2HG2 THR 101 2HG2 THR 101 -1.117 -19.873 0.352 723 3HG2 THR 101 3HG2 THR 101 -1.385 -21.523 -0.210 724 H ILE 102 H ILE 102 2.322 -19.254 -2.718 725 HA ILE 102 HA ILE 102 1.960 -19.932 -5.609 726 HB ILE 102 HB ILE 102 2.548 -17.197 -4.436 727 1HG1 ILE 102 2HG1 ILE 102 0.183 -18.116 -6.094 728 2HG1 ILE 102 1HG1 ILE 102 0.156 -18.044 -4.332 729 1HG2 ILE 102 1HG2 ILE 102 2.407 -18.219 -7.285 730 2HG2 ILE 102 2HG2 ILE 102 3.779 -17.447 -6.490 731 3HG2 ILE 102 3HG2 ILE 102 2.335 -16.506 -6.866 732 1HD1 ILE 102 1HD1 ILE 102 -0.778 -15.987 -5.411 733 2HD1 ILE 102 2HD1 ILE 102 0.806 -15.688 -6.126 734 3HD1 ILE 102 3HD1 ILE 102 0.610 -15.655 -4.373 735 H SER 103 H SER 103 3.957 -19.797 -6.845 736 HA SER 103 HA SER 103 6.252 -20.754 -5.404 737 1HB SER 103 2HB SER 103 6.179 -19.599 -8.204 738 2HB SER 103 1HB SER 103 7.398 -20.684 -7.543 739 HG SER 103 HG SER 103 5.466 -21.512 -8.859 740 H SER 104 H SER 104 5.979 -18.683 -3.902 741 HA SER 104 HA SER 104 6.959 -16.693 -3.133 742 1HB SER 104 2HB SER 104 8.999 -18.128 -3.733 743 2HB SER 104 1HB SER 104 9.090 -17.184 -5.217 744 HG SER 104 HG SER 104 9.678 -16.491 -2.616 745 HA PRO 105 HA PRO 105 5.195 -14.364 -6.730 746 1HB PRO 105 2HB PRO 105 4.138 -12.496 -4.808 747 2HB PRO 105 1HB PRO 105 3.255 -13.651 -5.811 748 1HG PRO 105 2HG PRO 105 3.660 -13.765 -2.993 749 2HG PRO 105 1HG PRO 105 2.867 -14.966 -4.012 750 1HD PRO 105 2HD PRO 105 5.477 -15.118 -2.734 751 2HD PRO 105 1HD PRO 105 4.613 -16.388 -3.636 752 H GLY 106 H GLY 106 5.064 -11.564 -6.454 753 1HA GLY 106 2HA GLY 106 7.795 -10.800 -6.833 754 2HA GLY 106 1HA GLY 106 6.451 -9.677 -6.625 755 H HIS 107 H HIS 107 7.361 -8.273 -5.119 756 HA HIS 107 HA HIS 107 7.735 -9.397 -2.403 757 1HB HIS 107 2HB HIS 107 9.780 -7.418 -3.362 758 2HB HIS 107 1HB HIS 107 9.907 -8.626 -2.084 759 HD1 HIS 107 1HD HIS 107 10.763 -10.929 -2.723 760 HD2 HIS 107 2HD HIS 107 9.997 -8.550 -6.045 761 HE1 HIS 107 1HE HIS 107 11.669 -12.163 -4.737 762 H CYS 108 H CYS 108 5.879 -7.559 -4.006 763 HA CYS 108 HA CYS 108 5.726 -5.455 -1.920 764 1HB CYS 108 2HB CYS 108 5.864 -4.954 -4.897 765 2HB CYS 108 1HB CYS 108 5.223 -3.768 -3.759 766 H ALA 109 H ALA 109 3.574 -4.822 -1.497 767 HA ALA 109 HA ALA 109 1.514 -6.425 -2.953 768 1HB ALA 109 1HB ALA 109 2.043 -6.344 -0.249 769 2HB ALA 109 2HB ALA 109 0.524 -6.875 -0.967 770 3HB ALA 109 3HB ALA 109 0.698 -5.215 -0.402 771 H SER 110 H SER 110 -0.452 -5.449 -3.498 772 HA SER 110 HA SER 110 -0.647 -2.485 -3.316 773 1HB SER 110 2HB SER 110 -1.549 -2.760 -5.809 774 2HB SER 110 1HB SER 110 0.170 -2.549 -5.494 775 HG SER 110 HG SER 110 -0.359 -5.117 -5.237 776 H LEU 111 H LEU 111 -2.943 -1.804 -3.910 777 HA LEU 111 HA LEU 111 -4.837 -3.734 -2.736 778 1HB LEU 111 2HB LEU 111 -5.228 -0.905 -3.766 779 2HB LEU 111 1HB LEU 111 -6.459 -1.852 -2.947 780 HG LEU 111 HG LEU 111 -3.961 -1.794 -1.423 781 1HD1 LEU 111 1HD1 LEU 111 -3.594 0.402 -2.304 782 2HD1 LEU 111 2HD1 LEU 111 -4.317 0.628 -0.713 783 3HD1 LEU 111 3HD1 LEU 111 -5.301 0.816 -2.163 784 1HD2 LEU 111 1HD2 LEU 111 -6.751 -0.788 -0.777 785 2HD2 LEU 111 2HD2 LEU 111 -5.486 -1.198 0.382 786 3HD2 LEU 111 3HD2 LEU 111 -6.230 -2.464 -0.596 787 H SER 112 H SER 112 -6.636 -4.575 -3.899 788 HA SER 112 HA SER 112 -6.362 -4.436 -6.883 789 1HB SER 112 2HB SER 112 -7.749 -6.639 -5.355 790 2HB SER 112 1HB SER 112 -7.118 -6.677 -6.998 791 HG SER 112 HG SER 112 -5.531 -6.319 -4.670 792 H ARG 113 H ARG 113 -7.947 -3.183 -7.766 793 HA ARG 113 HA ARG 113 -10.256 -2.251 -6.435 794 1HB ARG 113 2HB ARG 113 -9.563 -1.235 -8.523 795 2HB ARG 113 1HB ARG 113 -9.810 -2.748 -9.392 796 1HG ARG 113 2HG ARG 113 -12.193 -2.646 -9.044 797 2HG ARG 113 1HG ARG 113 -12.025 -1.279 -7.941 798 1HD ARG 113 2HD ARG 113 -12.721 -0.417 -10.092 799 2HD ARG 113 1HD ARG 113 -11.035 0.038 -9.845 800 HE ARG 113 HE ARG 113 -10.732 -2.277 -11.216 801 1HH1 ARG 113 1HH2 ARG 113 -13.715 -1.149 -11.815 802 2HH1 ARG 113 2HH2 ARG 113 -13.448 -0.648 -13.451 803 1HH2 ARG 113 1HH1 ARG 113 -10.000 -0.967 -13.267 804 2HH2 ARG 113 2HH1 ARG 113 -11.345 -0.546 -14.274 805 H SER 114 H SER 114 -9.835 -5.193 -8.382 806 HA SER 114 HA SER 114 -12.544 -6.017 -8.460 807 1HB SER 114 2HB SER 114 -10.856 -7.159 -9.782 808 2HB SER 114 1HB SER 114 -10.008 -7.673 -8.325 809 HG SER 114 HG SER 114 -12.332 -8.548 -7.883 810 H THR 115 H THR 115 -10.282 -5.979 -5.825 811 HA THR 115 HA THR 115 -12.092 -7.700 -4.187 812 HB THR 115 HB THR 115 -10.241 -7.922 -2.644 813 HG1 THR 115 1HG THR 115 -9.452 -5.804 -2.823 814 1HG2 THR 115 1HG2 THR 115 -8.443 -8.771 -4.254 815 2HG2 THR 115 2HG2 THR 115 -9.485 -8.200 -5.557 816 3HG2 THR 115 3HG2 THR 115 -10.055 -9.456 -4.458 817 H ALA 116 H ALA 116 -12.610 -4.849 -4.951 818 HA ALA 116 HA ALA 116 -13.409 -2.904 -3.912 819 1HB ALA 116 1HB ALA 116 -13.419 -4.464 -1.326 820 2HB ALA 116 2HB ALA 116 -14.607 -4.780 -2.591 821 3HB ALA 116 3HB ALA 116 -14.520 -3.186 -1.841 822 H PHE 117 H PHE 117 -10.486 -3.600 -3.912 823 HA PHE 117 HA PHE 117 -8.495 -2.725 -3.047 824 1HB PHE 117 2HB PHE 117 -10.310 -0.571 -1.924 825 2HB PHE 117 1HB PHE 117 -8.584 -0.436 -2.250 826 HD1 PHE 117 1HD PHE 117 -7.735 -0.218 -4.524 827 HD2 PHE 117 2HD PHE 117 -11.941 -0.625 -3.758 828 HE1 PHE 117 1HE PHE 117 -8.229 0.498 -6.847 829 HE2 PHE 117 2HE PHE 117 -12.434 0.089 -6.079 830 HZ PHE 117 HZ PHE 117 -10.578 0.652 -7.625 831 H LEU 118 H LEU 118 -10.192 -4.549 -1.362 832 HA LEU 118 HA LEU 118 -9.342 -3.639 1.356 833 1HB LEU 118 2HB LEU 118 -11.446 -5.584 0.398 834 2HB LEU 118 1HB LEU 118 -10.906 -5.552 2.076 835 HG LEU 118 HG LEU 118 -12.018 -3.164 0.571 836 1HD1 LEU 118 1HD1 LEU 118 -13.297 -4.912 2.695 837 2HD1 LEU 118 2HD1 LEU 118 -13.719 -4.915 0.981 838 3HD1 LEU 118 3HD1 LEU 118 -14.020 -3.480 1.962 839 1HD2 LEU 118 1HD2 LEU 118 -12.248 -2.530 3.185 840 2HD2 LEU 118 2HD2 LEU 118 -10.807 -2.145 2.249 841 3HD2 LEU 118 3HD2 LEU 118 -10.828 -3.573 3.281 842 H ARG 119 H ARG 119 -8.753 -5.993 -1.115 843 HA ARG 119 HA ARG 119 -7.128 -7.629 0.793 844 1HB ARG 119 2HB ARG 119 -8.012 -8.312 -2.025 845 2HB ARG 119 1HB ARG 119 -7.215 -9.394 -0.885 846 1HG ARG 119 2HG ARG 119 -9.886 -8.067 -0.346 847 2HG ARG 119 1HG ARG 119 -9.722 -9.688 -1.018 848 1HD ARG 119 2HD ARG 119 -8.194 -10.141 1.045 849 2HD ARG 119 1HD ARG 119 -8.955 -8.700 1.722 850 HE ARG 119 HE ARG 119 -11.114 -10.190 0.908 851 1HH1 ARG 119 1HH1 ARG 119 -9.700 -9.846 3.746 852 2HH1 ARG 119 2HH1 ARG 119 -9.825 -11.483 4.299 853 1HH2 ARG 119 1HH2 ARG 119 -10.672 -12.748 1.182 854 2HH2 ARG 119 2HH2 ARG 119 -10.376 -13.125 2.847 855 H TRP 120 H TRP 120 -4.919 -7.892 0.413 856 HA TRP 120 HA TRP 120 -3.732 -5.974 -1.525 857 1HB TRP 120 2HB TRP 120 -2.333 -7.646 0.579 858 2HB TRP 120 1HB TRP 120 -1.678 -6.255 -0.282 859 HD1 TRP 120 HD TRP 120 -3.914 -4.170 -0.046 860 HE1 TRP 120 1HE TRP 120 -4.606 -3.189 2.236 861 HE3 TRP 120 3HE TRP 120 -2.172 -7.834 3.052 862 HZ2 TRP 120 2HZ TRP 120 -4.441 -3.870 5.010 863 HZ3 TRP 120 3HZ TRP 120 -2.451 -7.644 5.506 864 HH2 TRP 120 HH TRP 120 -3.585 -5.671 6.485 865 H LYS 121 H LYS 121 -2.573 -6.640 -3.299 866 HA LYS 121 HA LYS 121 -2.195 -9.592 -3.667 867 1HB LYS 121 2HB LYS 121 -3.924 -8.432 -5.167 868 2HB LYS 121 1HB LYS 121 -2.560 -7.589 -5.902 869 1HG LYS 121 2HG LYS 121 -1.524 -9.725 -6.505 870 2HG LYS 121 1HG LYS 121 -2.832 -10.604 -5.710 871 1HD LYS 121 2HD LYS 121 -4.437 -9.418 -7.280 872 2HD LYS 121 1HD LYS 121 -3.023 -8.845 -8.167 873 1HE LYS 121 2HE LYS 121 -3.807 -11.734 -7.684 874 2HE LYS 121 1HE LYS 121 -3.827 -10.879 -9.227 875 1HZ LYS 121 1HZ LYS 121 -1.647 -12.135 -7.889 876 2HZ LYS 121 2HZ LYS 121 -1.295 -10.513 -8.254 877 3HZ LYS 121 3HZ LYS 121 -1.755 -11.585 -9.490 878 H ASP 122 H ASP 122 -0.215 -10.272 -4.451 879 HA ASP 122 HA ASP 122 1.986 -8.445 -4.035 880 1HB ASP 122 2HB ASP 122 2.216 -11.136 -5.379 881 2HB ASP 122 1HB ASP 122 3.399 -10.315 -4.360 882 H TYR 123 H TYR 123 3.480 -7.677 -5.638 883 HA TYR 123 HA TYR 123 2.934 -8.197 -8.473 884 1HB TYR 123 2HB TYR 123 1.660 -5.998 -7.174 885 2HB TYR 123 1HB TYR 123 2.912 -5.328 -8.216 886 HD1 TYR 123 1HD TYR 123 2.852 -5.654 -10.640 887 HD2 TYR 123 2HD TYR 123 -0.207 -7.276 -8.100 888 HE1 TYR 123 1HE TYR 123 1.423 -6.063 -12.626 889 HE2 TYR 123 2HE TYR 123 -1.637 -7.688 -10.085 890 HH TYR 123 HH TYR 123 -0.918 -8.058 -12.821 891 H ASN 124 H ASN 124 4.607 -7.232 -9.858 892 HA ASN 124 HA ASN 124 7.225 -7.429 -8.823 893 1HB ASN 124 2HB ASN 124 6.118 -6.059 -11.276 894 2HB ASN 124 1HB ASN 124 7.846 -6.070 -10.926 895 1HD2 ASN 124 1HD2 ASN 124 8.564 -8.504 -10.204 896 2HD2 ASN 124 2HD2 ASN 124 8.026 -9.715 -11.263 897 H CYS 125 H CYS 125 8.143 -6.147 -7.319 898 HA CYS 125 HA CYS 125 7.222 -3.701 -6.347 899 1HB CYS 125 2HB CYS 125 10.051 -4.761 -6.522 900 2HB CYS 125 1HB CYS 125 9.615 -3.315 -5.613 901 H ASN 126 H ASN 126 8.400 -4.187 -9.479 902 HA ASN 126 HA ASN 126 9.449 -1.403 -9.662 903 1HB ASN 126 2HB ASN 126 9.543 -3.739 -11.594 904 2HB ASN 126 1HB ASN 126 10.145 -2.126 -11.979 905 1HD2 ASN 126 1HD2 ASN 126 10.385 -3.951 -8.885 906 2HD2 ASN 126 2HD2 ASN 126 12.082 -3.934 -8.834 907 H VAL 127 H VAL 127 6.775 -3.420 -10.834 908 HA VAL 127 HA VAL 127 5.812 -1.712 -12.889 909 HB VAL 127 HB VAL 127 4.370 -3.498 -10.909 910 1HG1 VAL 127 1HG1 VAL 127 3.236 -1.762 -13.112 911 2HG1 VAL 127 2HG1 VAL 127 2.729 -1.842 -11.426 912 3HG1 VAL 127 3HG1 VAL 127 2.393 -3.191 -12.512 913 1HG2 VAL 127 1HG2 VAL 127 4.579 -3.767 -13.911 914 2HG2 VAL 127 2HG2 VAL 127 4.220 -5.017 -12.722 915 3HG2 VAL 127 3HG2 VAL 127 5.853 -4.363 -12.846 916 H ARG 128 H ARG 128 5.040 0.410 -12.750 917 HA ARG 128 HA ARG 128 4.913 1.583 -10.078 918 1HB ARG 128 2HB ARG 128 4.232 2.967 -12.663 919 2HB ARG 128 1HB ARG 128 4.934 3.654 -11.205 920 1HG ARG 128 2HG ARG 128 6.966 2.217 -11.599 921 2HG ARG 128 1HG ARG 128 6.273 1.781 -13.160 922 1HD ARG 128 2HD ARG 128 6.946 4.591 -12.236 923 2HD ARG 128 1HD ARG 128 7.840 3.650 -13.431 924 HE ARG 128 HE ARG 128 5.017 3.986 -14.103 925 1HH1 ARG 128 1HH2 ARG 128 8.115 4.253 -15.242 926 2HH1 ARG 128 2HH2 ARG 128 7.856 5.677 -16.192 927 1HH2 ARG 128 1HH1 ARG 128 4.700 6.289 -14.894 928 2HH2 ARG 128 2HH1 ARG 128 5.922 6.831 -15.994 929 H LEU 129 H LEU 129 2.973 2.549 -9.126 930 HA LEU 129 HA LEU 129 0.498 2.059 -10.746 931 1HB LEU 129 2HB LEU 129 1.180 0.813 -8.091 932 2HB LEU 129 1HB LEU 129 -0.497 1.138 -8.490 933 HG LEU 129 HG LEU 129 0.711 -0.134 -10.763 934 1HD1 LEU 129 1HD1 LEU 129 1.177 -1.525 -8.111 935 2HD1 LEU 129 2HD1 LEU 129 2.408 -1.042 -9.277 936 3HD1 LEU 129 3HD1 LEU 129 1.266 -2.324 -9.681 937 1HD2 LEU 129 1HD2 LEU 129 -1.294 -1.042 -8.684 938 2HD2 LEU 129 2HD2 LEU 129 -1.011 -1.850 -10.227 939 3HD2 LEU 129 3HD2 LEU 129 -1.657 -0.209 -10.196 940 HA PRO 130 HA PRO 130 -0.751 5.858 -8.840 941 1HB PRO 130 2HB PRO 130 -3.393 4.942 -8.097 942 2HB PRO 130 1HB PRO 130 -2.955 5.984 -9.455 943 1HG PRO 130 2HG PRO 130 -3.778 3.215 -9.524 944 2HG PRO 130 1HG PRO 130 -3.428 4.289 -10.882 945 1HD PRO 130 2HD PRO 130 -1.854 2.079 -9.990 946 2HD PRO 130 1HD PRO 130 -1.418 3.265 -11.245 947 H TYR 131 H TYR 131 -0.478 6.472 -6.555 948 HA TYR 131 HA TYR 131 -1.021 4.275 -4.595 949 1HB TYR 131 2HB TYR 131 1.194 4.479 -3.643 950 2HB TYR 131 1HB TYR 131 1.345 4.182 -5.374 951 HD1 TYR 131 1HD TYR 131 1.496 6.276 -6.918 952 HD2 TYR 131 2HD TYR 131 2.274 6.341 -2.694 953 HE1 TYR 131 1HE TYR 131 2.771 8.386 -7.185 954 HE2 TYR 131 2HE TYR 131 3.552 8.450 -2.964 955 HH TYR 131 HH TYR 131 3.829 10.253 -4.448 956 H VAL 132 H VAL 132 -0.451 5.053 -2.293 957 HA VAL 132 HA VAL 132 -1.423 7.876 -1.949 958 HB VAL 132 HB VAL 132 -1.900 5.443 -0.192 959 1HG1 VAL 132 1HG1 VAL 132 -2.674 8.357 0.144 960 2HG1 VAL 132 2HG1 VAL 132 -1.619 7.419 1.200 961 3HG1 VAL 132 3HG1 VAL 132 -3.340 7.042 1.111 962 1HG2 VAL 132 1HG2 VAL 132 -4.146 5.521 -0.907 963 2HG2 VAL 132 2HG2 VAL 132 -3.239 5.813 -2.390 964 3HG2 VAL 132 3HG2 VAL 132 -3.984 7.162 -1.533 965 H CYS 133 H CYS 133 -0.487 8.927 0.030 966 HA CYS 133 HA CYS 133 2.007 7.616 1.010 967 1HB CYS 133 2HB CYS 133 2.794 8.947 -0.830 968 2HB CYS 133 1HB CYS 133 1.816 10.324 -0.330 969 H LYS 134 H LYS 134 2.323 7.956 3.176 970 HA LYS 134 HA LYS 134 0.504 9.906 4.525 971 1HB LYS 134 2HB LYS 134 0.538 8.523 6.374 972 2HB LYS 134 1HB LYS 134 0.863 7.317 5.132 973 1HG LYS 134 2HG LYS 134 3.355 7.824 5.527 974 2HG LYS 134 1HG LYS 134 2.834 8.664 6.989 975 1HD LYS 134 2HD LYS 134 1.526 6.464 7.499 976 2HD LYS 134 1HD LYS 134 2.615 5.737 6.316 977 1HE LYS 134 2HE LYS 134 3.458 7.261 8.799 978 2HE LYS 134 1HE LYS 134 3.539 5.513 8.585 979 1HZ LYS 134 1HZ LYS 134 5.606 6.995 8.109 980 2HZ LYS 134 2HZ LYS 134 4.843 7.251 6.613 981 3HZ LYS 134 3HZ LYS 134 5.253 5.676 7.103 982 H PHE 135 H PHE 135 1.431 11.327 6.195 983 HA PHE 135 HA PHE 135 4.253 11.543 6.675 984 1HB PHE 135 2HB PHE 135 4.666 13.639 5.330 985 2HB PHE 135 1HB PHE 135 4.495 12.177 4.361 986 HD1 PHE 135 1HD PHE 135 2.545 11.813 2.947 987 HD2 PHE 135 2HD PHE 135 2.869 15.321 5.406 988 HE1 PHE 135 1HE PHE 135 0.656 12.849 1.719 989 HE2 PHE 135 2HE PHE 135 0.980 16.357 4.178 990 HZ PHE 135 HZ PHE 135 -0.126 15.122 2.335 991 H THR 136 H THR 136 4.323 12.636 8.586 992 HA THR 136 HA THR 136 2.049 14.386 9.313 993 HB THR 136 HB THR 136 4.407 13.867 11.108 994 HG1 THR 136 1HG THR 136 4.023 11.829 10.565 995 1HG2 THR 136 1HG2 THR 136 1.424 14.231 11.484 996 2HG2 THR 136 2HG2 THR 136 2.713 15.318 12.001 997 3HG2 THR 136 3HG2 THR 136 2.511 13.754 12.787 998 H ASP 137 H ASP 137 2.844 16.415 10.679 999 HA ASP 137 HA ASP 137 3.749 18.574 10.456 1000 1HB ASP 137 2HB ASP 137 6.139 16.796 9.916 1001 2HB ASP 137 1HB ASP 137 6.266 18.549 10.064 Start of MODEL 17 1 1H ARG 1 1HT ARG 1 -3.131 20.358 10.343 2 2H ARG 1 2HT ARG 1 -4.007 19.004 9.809 3 3H ARG 1 3HT ARG 1 -4.826 20.391 10.350 4 HA ARG 1 HA ARG 1 -4.965 20.965 8.214 5 1HB ARG 1 2HB ARG 1 -3.077 22.387 9.198 6 2HB ARG 1 1HB ARG 1 -1.961 21.306 8.360 7 1HG ARG 1 2HG ARG 1 -2.953 21.857 6.213 8 2HG ARG 1 1HG ARG 1 -4.210 22.814 6.997 9 1HD ARG 1 2HD ARG 1 -2.466 24.337 7.894 10 2HD ARG 1 1HD ARG 1 -1.236 23.403 7.041 11 HE ARG 1 HE ARG 1 -3.012 24.100 5.042 12 1HH1 ARG 1 1HH1 ARG 1 -0.376 25.389 6.626 13 2HH1 ARG 1 2HH1 ARG 1 -0.636 27.025 6.120 14 1HH2 ARG 1 1HH2 ARG 1 -3.761 26.388 4.760 15 2HH2 ARG 1 2HH2 ARG 1 -2.553 27.591 5.064 16 H CYS 2 H CYS 2 -5.002 20.048 6.187 17 HA CYS 2 HA CYS 2 -2.941 18.105 5.426 18 1HB CYS 2 2HB CYS 2 -5.170 17.151 6.693 19 2HB CYS 2 1HB CYS 2 -5.684 17.074 5.010 20 HA PRO 3 HA PRO 3 -3.682 20.186 1.556 21 1HB PRO 3 2HB PRO 3 -3.012 17.857 -0.001 22 2HB PRO 3 1HB PRO 3 -2.018 19.280 0.326 23 1HG PRO 3 2HG PRO 3 -1.758 16.625 1.430 24 2HG PRO 3 1HG PRO 3 -0.703 18.019 1.663 25 1HD PRO 3 2HD PRO 3 -2.456 16.857 3.588 26 2HD PRO 3 1HD PRO 3 -1.533 18.370 3.757 27 H LYS 4 H LYS 4 -5.100 20.037 -0.362 28 HA LYS 4 HA LYS 4 -7.676 18.992 0.210 29 1HB LYS 4 2HB LYS 4 -6.535 19.739 -2.497 30 2HB LYS 4 1HB LYS 4 -8.244 19.642 -2.071 31 1HG LYS 4 2HG LYS 4 -8.108 21.526 -0.632 32 2HG LYS 4 1HG LYS 4 -6.345 21.467 -0.590 33 1HD LYS 4 2HD LYS 4 -7.268 23.287 -2.067 34 2HD LYS 4 1HD LYS 4 -6.201 22.159 -2.904 35 1HE LYS 4 2HE LYS 4 -7.970 21.108 -4.020 36 2HE LYS 4 1HE LYS 4 -9.165 21.651 -2.842 37 1HZ LYS 4 1HZ LYS 4 -8.403 23.987 -3.689 38 2HZ LYS 4 2HZ LYS 4 -9.565 23.091 -4.545 39 3HZ LYS 4 3HZ LYS 4 -7.950 23.115 -5.072 40 H GLY 5 H GLY 5 -8.672 17.088 -0.454 41 1HA GLY 5 2HA GLY 5 -8.860 14.935 -1.407 42 2HA GLY 5 1HA GLY 5 -7.412 15.283 -2.363 43 H SER 6 H SER 6 -6.405 16.219 0.482 44 HA SER 6 HA SER 6 -5.131 13.602 1.076 45 1HB SER 6 2HB SER 6 -3.447 14.809 2.107 46 2HB SER 6 1HB SER 6 -4.041 16.044 1.002 47 HG SER 6 HG SER 6 -5.022 15.672 3.637 48 H LYS 7 H LYS 7 -5.408 12.513 3.071 49 HA LYS 7 HA LYS 7 -7.430 13.690 4.944 50 1HB LYS 7 2HB LYS 7 -7.315 10.753 4.219 51 2HB LYS 7 1HB LYS 7 -8.562 11.582 5.147 52 1HG LYS 7 2HG LYS 7 -7.975 12.381 2.295 53 2HG LYS 7 1HG LYS 7 -9.046 11.031 2.652 54 1HD LYS 7 2HD LYS 7 -10.633 12.389 3.711 55 2HD LYS 7 1HD LYS 7 -9.471 13.678 4.022 56 1HE LYS 7 2HE LYS 7 -10.984 14.340 2.212 57 2HE LYS 7 1HE LYS 7 -9.347 14.133 1.585 58 1HZ LYS 7 1HZ LYS 7 -10.278 12.777 0.107 59 2HZ LYS 7 2HZ LYS 7 -11.738 12.673 0.972 60 3HZ LYS 7 3HZ LYS 7 -10.437 11.656 1.370 61 H ALA 8 H ALA 8 -6.883 13.477 7.093 62 HA ALA 8 HA ALA 8 -4.243 12.296 7.674 63 1HB ALA 8 1HB ALA 8 -4.584 13.285 9.930 64 2HB ALA 8 2HB ALA 8 -6.194 13.806 9.436 65 3HB ALA 8 3HB ALA 8 -4.768 14.478 8.646 66 H TYR 9 H TYR 9 -3.966 10.784 9.471 67 HA TYR 9 HA TYR 9 -6.196 9.423 10.678 68 1HB TYR 9 2HB TYR 9 -6.182 8.645 8.188 69 2HB TYR 9 1HB TYR 9 -4.753 7.720 8.646 70 HD1 TYR 9 1HD TYR 9 -8.380 8.133 9.141 71 HD2 TYR 9 2HD TYR 9 -4.900 5.858 10.220 72 HE1 TYR 9 1HE TYR 9 -9.831 6.385 10.138 73 HE2 TYR 9 2HE TYR 9 -6.350 4.111 11.216 74 HH TYR 9 HH TYR 9 -9.536 4.577 11.969 75 H GLY 10 H GLY 10 -5.420 8.331 12.463 76 1HA GLY 10 2HA GLY 10 -3.862 7.365 13.939 77 2HA GLY 10 1HA GLY 10 -2.826 7.065 12.541 78 H SER 11 H SER 11 -1.651 9.049 11.681 79 HA SER 11 HA SER 11 -1.375 11.413 13.274 80 1HB SER 11 2HB SER 11 -0.359 10.094 14.977 81 2HB SER 11 1HB SER 11 0.579 9.169 13.808 82 HG SER 11 HG SER 11 1.155 11.513 15.016 83 H HIS 12 H HIS 12 -1.479 10.653 10.457 84 HA HIS 12 HA HIS 12 0.876 12.153 9.548 85 1HB HIS 12 2HB HIS 12 0.243 9.419 8.398 86 2HB HIS 12 1HB HIS 12 1.578 10.474 7.945 87 HD1 HIS 12 1HD HIS 12 3.678 10.390 9.364 88 HD2 HIS 12 2HD HIS 12 0.519 8.270 11.062 89 HE1 HIS 12 1HE HIS 12 4.644 9.120 11.332 90 H CYS 13 H CYS 13 0.465 13.145 7.505 91 HA CYS 13 HA CYS 13 -2.391 13.248 6.783 92 1HB CYS 13 2HB CYS 13 -0.038 14.949 6.423 93 2HB CYS 13 1HB CYS 13 -0.966 14.792 4.932 94 H TYR 14 H TYR 14 -3.235 12.015 5.153 95 HA TYR 14 HA TYR 14 -1.314 10.512 3.461 96 1HB TYR 14 2HB TYR 14 -4.277 10.105 3.936 97 2HB TYR 14 1HB TYR 14 -3.269 9.080 2.918 98 HD1 TYR 14 1HD TYR 14 -3.375 10.486 6.401 99 HD2 TYR 14 2HD TYR 14 -2.226 7.211 3.870 100 HE1 TYR 14 1HE TYR 14 -2.681 9.195 8.390 101 HE2 TYR 14 2HE TYR 14 -1.527 5.922 5.872 102 HH TYR 14 HH TYR 14 -1.028 7.278 8.854 103 H ALA 15 H ALA 15 -1.360 10.650 1.213 104 HA ALA 15 HA ALA 15 -3.363 12.481 -0.017 105 1HB ALA 15 1HB ALA 15 -0.350 12.697 -0.256 106 2HB ALA 15 2HB ALA 15 -1.464 13.921 0.350 107 3HB ALA 15 3HB ALA 15 -1.469 13.496 -1.360 108 H LEU 16 H LEU 16 -4.112 11.681 -1.917 109 HA LEU 16 HA LEU 16 -2.922 9.169 -2.931 110 1HB LEU 16 2HB LEU 16 -5.302 9.105 -2.691 111 2HB LEU 16 1HB LEU 16 -5.496 10.660 -3.497 112 HG LEU 16 HG LEU 16 -4.705 9.672 -5.610 113 1HD1 LEU 16 1HD1 LEU 16 -4.262 7.301 -3.823 114 2HD1 LEU 16 2HD1 LEU 16 -3.232 7.942 -5.100 115 3HD1 LEU 16 3HD1 LEU 16 -4.679 7.028 -5.514 116 1HD2 LEU 16 1HD2 LEU 16 -7.131 9.597 -4.942 117 2HD2 LEU 16 2HD2 LEU 16 -6.864 7.954 -4.358 118 3HD2 LEU 16 3HD2 LEU 16 -6.663 8.325 -6.071 119 H PHE 17 H PHE 17 -1.845 9.033 -4.885 120 HA PHE 17 HA PHE 17 -1.688 11.508 -6.547 121 1HB PHE 17 2HB PHE 17 0.459 9.533 -5.744 122 2HB PHE 17 1HB PHE 17 0.639 10.582 -7.149 123 HD1 PHE 17 1HD PHE 17 0.584 10.405 -3.499 124 HD2 PHE 17 2HD PHE 17 0.678 13.052 -6.881 125 HE1 PHE 17 1HE PHE 17 1.276 12.271 -2.019 126 HE2 PHE 17 2HE PHE 17 1.371 14.917 -5.402 127 HZ PHE 17 HZ PHE 17 1.669 14.528 -2.972 128 H LEU 18 H LEU 18 -2.683 11.095 -8.439 129 HA LEU 18 HA LEU 18 -3.273 8.397 -9.319 130 1HB LEU 18 2HB LEU 18 -3.431 10.820 -11.109 131 2HB LEU 18 1HB LEU 18 -4.486 9.407 -11.064 132 HG LEU 18 HG LEU 18 -4.321 11.618 -8.997 133 1HD1 LEU 18 1HD1 LEU 18 -6.657 10.665 -10.676 134 2HD1 LEU 18 2HD1 LEU 18 -5.621 12.016 -11.134 135 3HD1 LEU 18 3HD1 LEU 18 -6.588 12.105 -9.661 136 1HD2 LEU 18 1HD2 LEU 18 -4.636 9.536 -7.815 137 2HD2 LEU 18 2HD2 LEU 18 -5.816 8.982 -8.997 138 3HD2 LEU 18 3HD2 LEU 18 -6.211 10.319 -7.918 139 H SER 19 H SER 19 -0.454 9.721 -9.040 140 HA SER 19 HA SER 19 0.527 9.202 -11.796 141 1HB SER 19 2HB SER 19 2.721 9.787 -10.137 142 2HB SER 19 1HB SER 19 1.942 10.855 -11.300 143 HG SER 19 HG SER 19 0.482 11.451 -9.631 144 HA PRO 20 HA PRO 20 1.508 5.016 -10.458 145 1HB PRO 20 2HB PRO 20 3.078 4.663 -12.836 146 2HB PRO 20 1HB PRO 20 1.455 4.056 -12.504 147 1HG PRO 20 2HG PRO 20 2.221 6.156 -14.302 148 2HG PRO 20 1HG PRO 20 0.596 5.548 -13.969 149 1HD PRO 20 2HD PRO 20 1.754 8.060 -13.176 150 2HD PRO 20 1HD PRO 20 0.108 7.454 -12.858 151 H LYS 21 H LYS 21 3.384 3.991 -9.556 152 HA LYS 21 HA LYS 21 6.058 5.046 -10.086 153 1HB LYS 21 2HB LYS 21 4.566 5.760 -7.571 154 2HB LYS 21 1HB LYS 21 6.316 5.556 -7.517 155 1HG LYS 21 2HG LYS 21 6.297 7.175 -9.591 156 2HG LYS 21 1HG LYS 21 4.694 7.611 -8.999 157 1HD LYS 21 2HD LYS 21 5.644 8.160 -6.795 158 2HD LYS 21 1HD LYS 21 7.249 7.708 -7.369 159 1HE LYS 21 2HE LYS 21 5.539 9.894 -8.588 160 2HE LYS 21 1HE LYS 21 6.866 10.170 -7.461 161 1HZ LYS 21 1HZ LYS 21 6.957 9.204 -10.236 162 2HZ LYS 21 2HZ LYS 21 8.188 8.753 -9.155 163 3HZ LYS 21 3HZ LYS 21 7.900 10.396 -9.483 164 H SER 22 H SER 22 7.440 3.333 -9.845 165 HA SER 22 HA SER 22 6.692 0.744 -9.111 166 1HB SER 22 2HB SER 22 9.391 2.072 -8.776 167 2HB SER 22 1HB SER 22 9.115 0.340 -8.659 168 HG SER 22 HG SER 22 9.274 1.962 -10.853 169 H TRP 23 H TRP 23 6.870 -0.472 -7.136 170 HA TRP 23 HA TRP 23 6.045 0.892 -4.777 171 1HB TRP 23 2HB TRP 23 5.660 -1.503 -5.004 172 2HB TRP 23 1HB TRP 23 7.393 -1.809 -5.098 173 HD1 TRP 23 HD TRP 23 4.591 -1.315 -2.669 174 HE1 TRP 23 1HE TRP 23 5.493 -1.433 -0.256 175 HE3 TRP 23 3HE TRP 23 9.612 -1.190 -3.596 176 HZ2 TRP 23 2HZ TRP 23 8.010 -1.469 1.100 177 HZ3 TRP 23 3HZ TRP 23 11.237 -1.267 -1.726 178 HH2 TRP 23 HH TRP 23 10.444 -1.405 0.617 179 H THR 24 H THR 24 9.126 0.413 -6.207 180 HA THR 24 HA THR 24 10.587 1.093 -3.726 181 HB THR 24 HB THR 24 11.378 -0.635 -5.447 182 HG1 THR 24 1HG THR 24 12.870 0.012 -4.013 183 1HG2 THR 24 1HG2 THR 24 10.838 1.065 -7.344 184 2HG2 THR 24 2HG2 THR 24 12.284 0.069 -7.487 185 3HG2 THR 24 3HG2 THR 24 12.416 1.747 -6.959 186 H ASP 25 H ASP 25 9.255 2.571 -6.490 187 HA ASP 25 HA ASP 25 10.990 4.951 -6.383 188 1HB ASP 25 2HB ASP 25 8.650 4.130 -8.107 189 2HB ASP 25 1HB ASP 25 9.276 5.778 -8.136 190 H ALA 26 H ALA 26 7.609 4.060 -5.629 191 HA ALA 26 HA ALA 26 7.002 6.747 -4.679 192 1HB ALA 26 1HB ALA 26 5.020 5.430 -3.622 193 2HB ALA 26 2HB ALA 26 5.618 4.076 -4.582 194 3HB ALA 26 3HB ALA 26 5.094 5.558 -5.375 195 H ASP 27 H ASP 27 8.201 3.724 -3.401 196 HA ASP 27 HA ASP 27 7.914 4.286 -0.622 197 1HB ASP 27 2HB ASP 27 8.481 2.060 -1.376 198 2HB ASP 27 1HB ASP 27 9.936 2.653 -2.176 199 H LEU 28 H LEU 28 10.555 4.919 -2.920 200 HA LEU 28 HA LEU 28 12.228 6.253 -0.964 201 1HB LEU 28 2HB LEU 28 13.023 5.163 -3.117 202 2HB LEU 28 1HB LEU 28 12.345 6.545 -3.974 203 HG LEU 28 HG LEU 28 13.771 7.938 -2.226 204 1HD1 LEU 28 1HD1 LEU 28 15.896 6.764 -1.692 205 2HD1 LEU 28 2HD1 LEU 28 15.220 5.273 -2.346 206 3HD1 LEU 28 3HD1 LEU 28 14.512 6.007 -0.907 207 1HD2 LEU 28 1HD2 LEU 28 14.091 7.957 -4.674 208 2HD2 LEU 28 2HD2 LEU 28 15.012 6.457 -4.569 209 3HD2 LEU 28 3HD2 LEU 28 15.644 7.934 -3.841 210 H ALA 29 H ALA 29 9.843 7.335 -3.354 211 HA ALA 29 HA ALA 29 10.439 10.151 -3.007 212 1HB ALA 29 1HB ALA 29 9.291 9.210 -5.011 213 2HB ALA 29 2HB ALA 29 8.407 10.544 -4.267 214 3HB ALA 29 3HB ALA 29 7.882 8.880 -4.003 215 H CYS 30 H CYS 30 7.616 8.190 -1.925 216 HA CYS 30 HA CYS 30 6.564 10.240 -0.248 217 1HB CYS 30 2HB CYS 30 5.238 8.270 -0.880 218 2HB CYS 30 1HB CYS 30 6.338 7.224 0.014 219 H GLN 31 H GLN 31 9.365 8.323 0.016 220 HA GLN 31 HA GLN 31 9.505 8.365 2.931 221 1HB GLN 31 2HB GLN 31 10.707 6.577 1.930 222 2HB GLN 31 1HB GLN 31 11.467 7.644 0.749 223 1HG GLN 31 2HG GLN 31 12.895 8.610 2.379 224 2HG GLN 31 1HG GLN 31 11.935 7.973 3.715 225 1HE2 GLN 31 1HE2 GLN 31 14.884 7.522 2.702 226 2HE2 GLN 31 2HE2 GLN 31 15.039 5.832 2.748 227 H LYS 32 H LYS 32 10.525 10.389 0.259 228 HA LYS 32 HA LYS 32 12.401 11.984 1.712 229 1HB LYS 32 2HB LYS 32 12.474 13.337 -0.176 230 2HB LYS 32 1HB LYS 32 11.826 11.856 -0.878 231 1HG LYS 32 2HG LYS 32 9.497 12.871 -0.298 232 2HG LYS 32 1HG LYS 32 10.371 14.397 -0.162 233 1HD LYS 32 2HD LYS 32 11.231 14.122 -2.453 234 2HD LYS 32 1HD LYS 32 10.378 12.584 -2.594 235 1HE LYS 32 2HE LYS 32 9.178 14.588 -3.608 236 2HE LYS 32 1HE LYS 32 8.238 13.653 -2.444 237 1HZ LYS 32 1HZ LYS 32 8.375 16.232 -2.260 238 2HZ LYS 32 2HZ LYS 32 9.852 15.909 -1.485 239 3HZ LYS 32 3HZ LYS 32 8.406 15.273 -0.861 240 H ARG 33 H ARG 33 9.185 11.533 2.248 241 HA ARG 33 HA ARG 33 8.534 14.302 3.010 242 1HB ARG 33 2HB ARG 33 7.038 11.702 2.920 243 2HB ARG 33 1HB ARG 33 6.375 13.066 3.804 244 1HG ARG 33 2HG ARG 33 7.335 13.455 0.980 245 2HG ARG 33 1HG ARG 33 5.754 12.733 1.268 246 1HD ARG 33 2HD ARG 33 5.216 14.719 2.745 247 2HD ARG 33 1HD ARG 33 6.713 15.459 2.175 248 HE ARG 33 HE ARG 33 4.369 14.820 0.435 249 1HH1 ARG 33 1HH2 ARG 33 5.226 17.643 1.238 250 2HH1 ARG 33 2HH2 ARG 33 6.064 18.152 -0.190 251 1HH2 ARG 33 1HH1 ARG 33 6.362 14.946 -1.478 252 2HH2 ARG 33 2HH1 ARG 33 6.707 16.625 -1.727 253 HA PRO 34 HA PRO 34 9.631 14.227 7.262 254 1HB PRO 34 2HB PRO 34 6.950 14.567 8.292 255 2HB PRO 34 1HB PRO 34 8.232 15.772 8.153 256 1HG PRO 34 2HG PRO 34 5.875 15.395 6.468 257 2HG PRO 34 1HG PRO 34 6.989 16.766 6.532 258 1HD PRO 34 2HD PRO 34 6.815 14.959 4.420 259 2HD PRO 34 1HD PRO 34 8.229 15.985 4.753 260 H SER 35 H SER 35 10.079 11.901 7.026 261 HA SER 35 HA SER 35 9.909 9.705 7.787 262 1HB SER 35 2HB SER 35 9.246 11.060 9.930 263 2HB SER 35 1HB SER 35 7.614 10.512 9.559 264 HG SER 35 HG SER 35 9.466 9.185 10.817 265 H GLY 36 H GLY 36 7.981 11.044 5.733 266 1HA GLY 36 2HA GLY 36 5.587 9.397 5.881 267 2HA GLY 36 1HA GLY 36 6.082 10.375 4.501 268 H ASN 37 H ASN 37 5.104 8.105 3.712 269 HA ASN 37 HA ASN 37 6.969 6.786 2.149 270 1HB ASN 37 2HB ASN 37 7.131 5.908 4.949 271 2HB ASN 37 1HB ASN 37 6.810 4.572 3.846 272 1HD2 ASN 37 1HD2 ASN 37 9.287 6.594 5.080 273 2HD2 ASN 37 2HD2 ASN 37 10.502 6.170 3.975 274 H LEU 38 H LEU 38 5.940 5.070 0.941 275 HA LEU 38 HA LEU 38 3.404 5.058 0.216 276 1HB LEU 38 2HB LEU 38 4.921 2.587 1.045 277 2HB LEU 38 1HB LEU 38 3.365 2.509 0.224 278 HG LEU 38 HG LEU 38 5.666 4.120 -0.882 279 1HD1 LEU 38 1HD1 LEU 38 4.963 1.261 -1.605 280 2HD1 LEU 38 2HD1 LEU 38 6.321 1.706 -0.571 281 3HD1 LEU 38 3HD1 LEU 38 6.288 2.226 -2.255 282 1HD2 LEU 38 1HD2 LEU 38 4.298 3.385 -3.012 283 2HD2 LEU 38 2HD2 LEU 38 3.724 4.723 -2.020 284 3HD2 LEU 38 3HD2 LEU 38 3.003 3.125 -1.851 285 H VAL 39 H VAL 39 1.365 4.844 1.009 286 HA VAL 39 HA VAL 39 0.623 5.195 3.618 287 HB VAL 39 HB VAL 39 -1.040 5.248 1.897 288 1HG1 VAL 39 1HG1 VAL 39 -0.034 3.530 0.434 289 2HG1 VAL 39 2HG1 VAL 39 -1.747 3.203 0.707 290 3HG1 VAL 39 3HG1 VAL 39 -0.523 2.276 1.575 291 1HG2 VAL 39 1HG2 VAL 39 -2.823 4.155 2.989 292 2HG2 VAL 39 2HG2 VAL 39 -1.635 4.365 4.273 293 3HG2 VAL 39 3HG2 VAL 39 -1.809 2.801 3.484 294 H SER 40 H SER 40 -0.045 3.884 5.350 295 HA SER 40 HA SER 40 1.126 1.122 5.374 296 1HB SER 40 2HB SER 40 1.080 3.339 7.355 297 2HB SER 40 1HB SER 40 0.860 1.716 7.998 298 HG SER 40 HG SER 40 2.769 1.421 6.328 299 H VAL 41 H VAL 41 -0.118 -0.162 7.337 300 HA VAL 41 HA VAL 41 -2.950 0.486 7.555 301 HB VAL 41 HB VAL 41 -2.978 -2.139 6.363 302 1HG1 VAL 41 1HG1 VAL 41 -4.477 -0.965 4.722 303 2HG1 VAL 41 2HG1 VAL 41 -4.073 0.554 5.523 304 3HG1 VAL 41 3HG1 VAL 41 -4.917 -0.715 6.412 305 1HG2 VAL 41 1HG2 VAL 41 -0.846 -1.155 5.249 306 2HG2 VAL 41 2HG2 VAL 41 -1.956 -0.072 4.410 307 3HG2 VAL 41 3HG2 VAL 41 -2.094 -1.814 4.197 308 H LEU 42 H LEU 42 -2.532 0.190 9.819 309 HA LEU 42 HA LEU 42 -1.935 -2.636 10.633 310 1HB LEU 42 2HB LEU 42 -1.412 -0.025 12.061 311 2HB LEU 42 1HB LEU 42 -1.302 -1.593 12.854 312 HG LEU 42 HG LEU 42 0.226 -0.904 10.341 313 1HD1 LEU 42 1HD1 LEU 42 0.910 0.593 12.184 314 2HD1 LEU 42 2HD1 LEU 42 2.176 -0.588 11.847 315 3HD1 LEU 42 3HD1 LEU 42 1.120 -0.802 13.242 316 1HD2 LEU 42 1HD2 LEU 42 0.296 -3.153 12.355 317 2HD2 LEU 42 2HD2 LEU 42 1.644 -2.834 11.271 318 3HD2 LEU 42 3HD2 LEU 42 0.070 -3.265 10.614 319 H SER 43 H SER 43 -4.579 -0.924 10.100 320 HA SER 43 HA SER 43 -5.956 -2.087 12.478 321 1HB SER 43 2HB SER 43 -5.469 0.410 12.776 322 2HB SER 43 1HB SER 43 -6.603 0.684 11.457 323 HG SER 43 HG SER 43 -7.592 -1.054 13.282 324 H GLY 44 H GLY 44 -8.109 -2.711 12.076 325 1HA GLY 44 2HA GLY 44 -8.745 -3.414 9.366 326 2HA GLY 44 1HA GLY 44 -9.856 -3.525 10.733 327 H ALA 45 H ALA 45 -9.220 -0.560 11.235 328 HA ALA 45 HA ALA 45 -11.404 0.464 9.551 329 1HB ALA 45 1HB ALA 45 -11.007 2.571 10.901 330 2HB ALA 45 2HB ALA 45 -9.752 1.690 11.774 331 3HB ALA 45 3HB ALA 45 -11.429 1.152 11.861 332 H GLU 46 H GLU 46 -7.909 0.798 9.876 333 HA GLU 46 HA GLU 46 -7.666 3.049 8.079 334 1HB GLU 46 2HB GLU 46 -5.928 2.220 9.772 335 2HB GLU 46 1HB GLU 46 -5.542 0.959 8.600 336 1HG GLU 46 2HG GLU 46 -5.006 2.643 6.911 337 2HG GLU 46 1HG GLU 46 -5.481 3.935 8.015 338 H GLY 47 H GLY 47 -7.472 -0.479 7.674 339 1HA GLY 47 2HA GLY 47 -6.690 -0.466 4.928 340 2HA GLY 47 1HA GLY 47 -7.561 -1.781 5.718 341 H SER 48 H SER 48 -9.837 -0.148 6.496 342 HA SER 48 HA SER 48 -11.285 -0.224 3.947 343 1HB SER 48 2HB SER 48 -12.552 -1.013 5.790 344 2HB SER 48 1HB SER 48 -12.062 0.335 6.812 345 HG SER 48 HG SER 48 -13.208 1.318 4.630 346 H PHE 49 H PHE 49 -9.953 2.184 6.135 347 HA PHE 49 HA PHE 49 -11.311 4.448 4.964 348 1HB PHE 49 2HB PHE 49 -10.112 4.328 7.242 349 2HB PHE 49 1HB PHE 49 -8.618 4.555 6.332 350 HD1 PHE 49 1HD PHE 49 -8.360 6.598 4.864 351 HD2 PHE 49 2HD PHE 49 -11.586 6.151 7.666 352 HE1 PHE 49 1HE PHE 49 -8.795 9.036 4.754 353 HE2 PHE 49 2HE PHE 49 -12.020 8.592 7.556 354 HZ PHE 49 HZ PHE 49 -10.623 10.034 6.100 355 H VAL 50 H VAL 50 -8.000 3.130 4.543 356 HA VAL 50 HA VAL 50 -7.200 4.974 2.528 357 HB VAL 50 HB VAL 50 -6.368 2.065 2.806 358 1HG1 VAL 50 1HG1 VAL 50 -4.321 2.816 1.659 359 2HG1 VAL 50 2HG1 VAL 50 -4.984 4.445 1.529 360 3HG1 VAL 50 3HG1 VAL 50 -5.739 3.114 0.653 361 1HG2 VAL 50 1HG2 VAL 50 -6.127 3.599 4.858 362 2HG2 VAL 50 2HG2 VAL 50 -4.958 4.508 3.903 363 3HG2 VAL 50 3HG2 VAL 50 -4.655 2.813 4.289 364 H SER 51 H SER 51 -9.052 1.980 2.399 365 HA SER 51 HA SER 51 -9.080 1.565 -0.403 366 1HB SER 51 2HB SER 51 -10.199 -0.194 0.512 367 2HB SER 51 1HB SER 51 -10.688 0.748 1.916 368 HG SER 51 HG SER 51 -12.208 0.006 -0.037 369 H SER 52 H SER 52 -11.368 3.426 1.622 370 HA SER 52 HA SER 52 -12.943 4.398 -0.553 371 1HB SER 52 2HB SER 52 -12.442 5.587 2.187 372 2HB SER 52 1HB SER 52 -13.682 6.149 1.070 373 HG SER 52 HG SER 52 -13.485 3.742 2.499 374 H LEU 53 H LEU 53 -9.838 5.356 0.671 375 HA LEU 53 HA LEU 53 -9.888 8.016 -0.530 376 1HB LEU 53 2HB LEU 53 -8.461 7.838 1.341 377 2HB LEU 53 1HB LEU 53 -7.806 6.297 0.807 378 HG LEU 53 HG LEU 53 -6.699 7.471 -1.106 379 1HD1 LEU 53 1HD1 LEU 53 -8.177 9.417 -1.281 380 2HD1 LEU 53 2HD1 LEU 53 -6.544 9.974 -0.922 381 3HD1 LEU 53 3HD1 LEU 53 -7.758 9.920 0.355 382 1HD2 LEU 53 1HD2 LEU 53 -4.910 8.392 0.217 383 2HD2 LEU 53 2HD2 LEU 53 -5.591 7.049 1.136 384 3HD2 LEU 53 3HD2 LEU 53 -5.995 8.710 1.571 385 H VAL 54 H VAL 54 -9.123 4.792 -1.576 386 HA VAL 54 HA VAL 54 -7.986 5.926 -4.104 387 HB VAL 54 HB VAL 54 -6.680 3.855 -4.305 388 1HG1 VAL 54 1HG1 VAL 54 -5.900 5.889 -2.962 389 2HG1 VAL 54 2HG1 VAL 54 -5.090 4.367 -2.591 390 3HG1 VAL 54 3HG1 VAL 54 -6.345 4.984 -1.516 391 1HG2 VAL 54 1HG2 VAL 54 -7.921 2.166 -3.240 392 2HG2 VAL 54 2HG2 VAL 54 -8.236 3.160 -1.820 393 3HG2 VAL 54 3HG2 VAL 54 -6.635 2.469 -2.073 394 H LYS 55 H LYS 55 -10.853 4.999 -3.202 395 HA LYS 55 HA LYS 55 -11.278 2.932 -5.305 396 1HB LYS 55 2HB LYS 55 -13.353 2.450 -4.290 397 2HB LYS 55 1HB LYS 55 -12.280 2.759 -2.929 398 1HG LYS 55 2HG LYS 55 -13.132 5.051 -2.743 399 2HG LYS 55 1HG LYS 55 -14.157 4.808 -4.155 400 1HD LYS 55 2HD LYS 55 -15.497 3.183 -3.034 401 2HD LYS 55 1HD LYS 55 -14.357 3.063 -1.695 402 1HE LYS 55 2HE LYS 55 -16.144 4.432 -0.899 403 2HE LYS 55 1HE LYS 55 -14.823 5.542 -1.261 404 1HZ LYS 55 1HZ LYS 55 -16.857 6.390 -2.172 405 2HZ LYS 55 2HZ LYS 55 -17.150 4.937 -3.002 406 3HZ LYS 55 3HZ LYS 55 -15.841 5.924 -3.448 407 H SER 56 H SER 56 -11.943 6.296 -4.573 408 HA SER 56 HA SER 56 -13.810 6.543 -6.846 409 1HB SER 56 2HB SER 56 -12.743 8.510 -4.814 410 2HB SER 56 1HB SER 56 -13.774 8.994 -6.157 411 HG SER 56 HG SER 56 -14.339 7.328 -3.955 412 H ILE 57 H ILE 57 -10.628 6.139 -6.814 413 HA ILE 57 HA ILE 57 -9.491 8.362 -8.135 414 HB ILE 57 HB ILE 57 -8.001 6.718 -7.350 415 1HG1 ILE 57 2HG1 ILE 57 -8.144 6.058 -10.301 416 2HG1 ILE 57 1HG1 ILE 57 -7.514 7.594 -9.696 417 1HG2 ILE 57 1HG2 ILE 57 -8.151 4.338 -7.999 418 2HG2 ILE 57 2HG2 ILE 57 -9.591 4.691 -8.947 419 3HG2 ILE 57 3HG2 ILE 57 -9.624 4.876 -7.197 420 1HD1 ILE 57 1HD1 ILE 57 -5.807 5.713 -10.092 421 2HD1 ILE 57 2HD1 ILE 57 -6.504 4.947 -8.663 422 3HD1 ILE 57 3HD1 ILE 57 -5.746 6.534 -8.532 423 H GLY 58 H GLY 58 -11.006 5.434 -9.539 424 1HA GLY 58 2HA GLY 58 -12.568 6.158 -11.504 425 2HA GLY 58 1HA GLY 58 -11.084 6.832 -12.177 426 H ASN 59 H ASN 59 -12.888 4.510 -13.010 427 HA ASN 59 HA ASN 59 -11.861 1.989 -12.694 428 1HB ASN 59 2HB ASN 59 -12.535 3.169 -15.403 429 2HB ASN 59 1HB ASN 59 -12.613 1.469 -14.941 430 1HD2 ASN 59 1HD2 ASN 59 -14.597 4.069 -15.441 431 2HD2 ASN 59 2HD2 ASN 59 -15.851 3.688 -14.363 432 H SER 60 H SER 60 -10.212 4.691 -14.073 433 HA SER 60 HA SER 60 -8.273 3.254 -15.640 434 1HB SER 60 2HB SER 60 -6.916 5.346 -15.405 435 2HB SER 60 1HB SER 60 -8.565 5.655 -15.942 436 HG SER 60 HG SER 60 -7.826 5.681 -13.211 437 H TYR 61 H TYR 61 -8.855 2.346 -12.781 438 HA TYR 61 HA TYR 61 -6.008 2.021 -12.013 439 1HB TYR 61 2HB TYR 61 -6.202 3.082 -10.016 440 2HB TYR 61 1HB TYR 61 -7.677 3.795 -10.666 441 HD1 TYR 61 1HD TYR 61 -9.891 2.738 -10.193 442 HD2 TYR 61 2HD TYR 61 -6.275 1.373 -8.326 443 HE1 TYR 61 1HE TYR 61 -11.229 1.538 -8.486 444 HE2 TYR 61 2HE TYR 61 -7.616 0.171 -6.617 445 HH TYR 61 HH TYR 61 -11.143 0.006 -6.834 446 H SER 62 H SER 62 -5.662 -0.104 -11.878 447 HA SER 62 HA SER 62 -7.949 -1.918 -11.233 448 1HB SER 62 2HB SER 62 -5.268 -2.614 -12.471 449 2HB SER 62 1HB SER 62 -6.669 -3.672 -12.324 450 HG SER 62 HG SER 62 -6.366 -2.587 -14.409 451 H TYR 63 H TYR 63 -4.691 -0.969 -10.318 452 HA TYR 63 HA TYR 63 -5.080 -2.399 -7.740 453 1HB TYR 63 2HB TYR 63 -2.839 -2.816 -9.691 454 2HB TYR 63 1HB TYR 63 -2.516 -2.952 -7.966 455 HD1 TYR 63 1HD TYR 63 -4.884 -4.175 -10.608 456 HD2 TYR 63 2HD TYR 63 -2.933 -4.971 -6.866 457 HE1 TYR 63 1HE TYR 63 -5.817 -6.469 -10.606 458 HE2 TYR 63 2HE TYR 63 -3.858 -7.268 -6.876 459 HH TYR 63 HH TYR 63 -6.369 -8.231 -8.801 460 H VAL 64 H VAL 64 -3.367 -1.620 -6.125 461 HA VAL 64 HA VAL 64 -2.343 1.116 -6.767 462 HB VAL 64 HB VAL 64 -3.904 0.419 -4.264 463 1HG1 VAL 64 1HG1 VAL 64 -3.081 3.130 -5.300 464 2HG1 VAL 64 2HG1 VAL 64 -2.121 2.214 -4.137 465 3HG1 VAL 64 3HG1 VAL 64 -3.750 2.737 -3.717 466 1HG2 VAL 64 1HG2 VAL 64 -5.372 0.457 -6.235 467 2HG2 VAL 64 2HG2 VAL 64 -4.725 2.030 -6.695 468 3HG2 VAL 64 3HG2 VAL 64 -5.672 1.864 -5.216 469 H TRP 65 H TRP 65 -0.404 1.605 -5.676 470 HA TRP 65 HA TRP 65 0.935 -0.706 -4.441 471 1HB TRP 65 2HB TRP 65 1.755 1.872 -5.615 472 2HB TRP 65 1HB TRP 65 2.710 1.388 -4.224 473 HD1 TRP 65 HD TRP 65 3.445 1.480 -7.451 474 HE1 TRP 65 1HE TRP 65 4.630 -0.581 -8.428 475 HE3 TRP 65 3HE TRP 65 2.229 -2.019 -3.915 476 HZ2 TRP 65 2HZ TRP 65 4.980 -3.335 -7.827 477 HZ3 TRP 65 3HZ TRP 65 3.002 -4.353 -4.162 478 HH2 TRP 65 HH TRP 65 4.378 -5.018 -6.110 479 H ILE 66 H ILE 66 1.604 -0.796 -2.259 480 HA ILE 66 HA ILE 66 0.923 1.556 -0.552 481 HB ILE 66 HB ILE 66 0.039 -0.027 1.190 482 1HG1 ILE 66 2HG1 ILE 66 0.182 -1.990 -1.115 483 2HG1 ILE 66 1HG1 ILE 66 1.056 -2.103 0.412 484 1HG2 ILE 66 1HG2 ILE 66 -1.510 -0.260 -1.394 485 2HG2 ILE 66 2HG2 ILE 66 -1.384 1.258 -0.507 486 3HG2 ILE 66 3HG2 ILE 66 -2.150 -0.141 0.245 487 1HD1 ILE 66 1HD1 ILE 66 -1.921 -2.361 -0.053 488 2HD1 ILE 66 2HD1 ILE 66 -1.248 -2.068 1.550 489 3HD1 ILE 66 3HD1 ILE 66 -0.829 -3.538 0.673 490 H GLY 67 H GLY 67 1.988 1.146 1.717 491 1HA GLY 67 2HA GLY 67 4.768 0.463 1.207 492 2HA GLY 67 1HA GLY 67 4.118 1.107 2.714 493 H LEU 68 H LEU 68 3.617 -1.865 0.790 494 HA LEU 68 HA LEU 68 4.191 -3.393 3.295 495 1HB LEU 68 2HB LEU 68 1.708 -3.323 2.384 496 2HB LEU 68 1HB LEU 68 2.321 -4.492 1.221 497 HG LEU 68 HG LEU 68 1.586 -5.902 2.930 498 1HD1 LEU 68 1HD1 LEU 68 3.498 -6.776 4.123 499 2HD1 LEU 68 2HD1 LEU 68 4.383 -5.273 3.920 500 3HD1 LEU 68 3HD1 LEU 68 4.031 -6.288 2.520 501 1HD2 LEU 68 1HD2 LEU 68 1.991 -5.339 5.370 502 2HD2 LEU 68 2HD2 LEU 68 0.868 -4.281 4.517 503 3HD2 LEU 68 3HD2 LEU 68 2.519 -3.745 4.828 504 H HIS 69 H HIS 69 5.848 -4.814 3.027 505 HA HIS 69 HA HIS 69 6.377 -5.904 0.313 506 1HB HIS 69 2HB HIS 69 8.740 -5.373 0.450 507 2HB HIS 69 1HB HIS 69 7.822 -3.880 0.669 508 HD1 HIS 69 1HD HIS 69 10.416 -5.864 2.251 509 HD2 HIS 69 2HD HIS 69 7.393 -3.338 3.579 510 HE1 HIS 69 1HE HIS 69 10.980 -5.271 4.650 511 H ASP 70 H ASP 70 8.388 -7.435 0.615 512 HA ASP 70 HA ASP 70 7.602 -9.352 2.728 513 1HB ASP 70 2HB ASP 70 7.890 -10.127 0.372 514 2HB ASP 70 1HB ASP 70 9.595 -9.683 0.471 515 HA PRO 71 HA PRO 71 11.069 -7.557 5.034 516 1HB PRO 71 2HB PRO 71 10.777 -9.626 7.012 517 2HB PRO 71 1HB PRO 71 10.292 -7.932 7.126 518 1HG PRO 71 2HG PRO 71 8.606 -10.231 6.860 519 2HG PRO 71 1HG PRO 71 8.123 -8.543 6.980 520 1HD PRO 71 2HD PRO 71 8.021 -10.247 4.660 521 2HD PRO 71 1HD PRO 71 7.536 -8.536 4.782 522 H THR 72 H THR 72 10.685 -10.732 3.777 523 HA THR 72 HA THR 72 13.589 -11.327 4.227 524 HB THR 72 HB THR 72 13.068 -13.551 4.429 525 HG1 THR 72 1HG THR 72 10.886 -13.111 2.674 526 1HG2 THR 72 1HG2 THR 72 11.132 -13.850 5.715 527 2HG2 THR 72 2HG2 THR 72 10.206 -12.685 4.770 528 3HG2 THR 72 3HG2 THR 72 11.442 -12.124 5.895 529 H GLN 73 H GLN 73 11.675 -9.975 1.958 530 HA GLN 73 HA GLN 73 11.854 -9.719 -0.367 531 1HB GLN 73 2HB GLN 73 14.612 -10.919 -0.023 532 2HB GLN 73 1HB GLN 73 14.074 -9.785 -1.263 533 1HG GLN 73 2HG GLN 73 13.589 -8.140 0.612 534 2HG GLN 73 1HG GLN 73 14.433 -9.249 1.693 535 1HE2 GLN 73 1HE2 GLN 73 14.895 -6.656 -0.492 536 2HE2 GLN 73 2HE2 GLN 73 16.581 -6.781 -0.649 537 H GLY 74 H GLY 74 10.536 -12.053 0.395 538 1HA GLY 74 2HA GLY 74 9.767 -14.014 -0.656 539 2HA GLY 74 1HA GLY 74 10.891 -13.683 -1.975 540 H THR 75 H THR 75 11.709 -14.079 1.456 541 HA THR 75 HA THR 75 12.898 -16.735 0.887 542 HB THR 75 HB THR 75 15.096 -16.130 1.586 543 HG1 THR 75 1HG THR 75 15.134 -13.615 2.043 544 1HG2 THR 75 1HG2 THR 75 14.110 -13.811 -0.094 545 2HG2 THR 75 2HG2 THR 75 14.454 -15.420 -0.732 546 3HG2 THR 75 3HG2 THR 75 15.752 -14.452 -0.034 547 H GLU 76 H GLU 76 10.674 -16.363 2.423 548 HA GLU 76 HA GLU 76 11.533 -16.114 5.242 549 1HB GLU 76 2HB GLU 76 8.789 -16.938 5.016 550 2HB GLU 76 1HB GLU 76 9.413 -15.372 5.528 551 1HG GLU 76 2HG GLU 76 9.610 -14.709 3.127 552 2HG GLU 76 1HG GLU 76 8.869 -16.245 2.675 553 HA PRO 77 HA PRO 77 11.924 -20.429 6.080 554 1HB PRO 77 2HB PRO 77 10.061 -20.523 8.274 555 2HB PRO 77 1HB PRO 77 11.823 -20.443 8.342 556 1HG PRO 77 2HG PRO 77 9.914 -18.360 8.934 557 2HG PRO 77 1HG PRO 77 11.672 -18.318 9.101 558 1HD PRO 77 2HD PRO 77 10.095 -16.930 7.162 559 2HD PRO 77 1HD PRO 77 11.871 -17.027 7.232 560 H ASN 78 H ASN 78 8.554 -19.977 7.136 561 HA ASN 78 HA ASN 78 7.767 -22.183 5.321 562 1HB ASN 78 2HB ASN 78 6.424 -20.797 7.648 563 2HB ASN 78 1HB ASN 78 5.531 -21.880 6.578 564 1HD2 ASN 78 1HD2 ASN 78 8.908 -22.606 7.064 565 2HD2 ASN 78 2HD2 ASN 78 8.682 -23.923 8.112 566 H GLY 79 H GLY 79 7.501 -18.741 5.684 567 1HA GLY 79 2HA GLY 79 6.995 -17.464 3.606 568 2HA GLY 79 1HA GLY 79 5.736 -18.652 3.264 569 H GLU 80 H GLU 80 6.681 -16.308 5.799 570 HA GLU 80 HA GLU 80 4.001 -15.187 5.838 571 1HB GLU 80 2HB GLU 80 3.697 -15.800 8.327 572 2HB GLU 80 1HB GLU 80 3.384 -17.069 7.143 573 1HG GLU 80 2HG GLU 80 5.523 -18.079 7.531 574 2HG GLU 80 1HG GLU 80 6.071 -16.700 8.484 575 H GLY 81 H GLY 81 5.724 -13.495 5.371 576 1HA GLY 81 2HA GLY 81 6.876 -12.414 7.920 577 2HA GLY 81 1HA GLY 81 7.577 -12.136 6.324 578 H TRP 82 H TRP 82 6.400 -10.796 4.827 579 HA TRP 82 HA TRP 82 5.272 -8.812 4.302 580 1HB TRP 82 2HB TRP 82 3.077 -9.426 6.215 581 2HB TRP 82 1HB TRP 82 2.995 -9.002 4.508 582 HD1 TRP 82 HD TRP 82 5.013 -11.385 3.550 583 HE1 TRP 82 1HE TRP 82 4.073 -13.780 3.455 584 HE3 TRP 82 3HE TRP 82 1.001 -10.882 6.667 585 HZ2 TRP 82 2HZ TRP 82 1.903 -15.287 4.553 586 HZ3 TRP 82 3HZ TRP 82 -0.484 -12.811 7.126 587 HH2 TRP 82 HH TRP 82 -0.039 -15.012 6.072 588 H GLU 83 H GLU 83 6.225 -6.977 5.089 589 HA GLU 83 HA GLU 83 5.469 -6.115 7.846 590 1HB GLU 83 2HB GLU 83 7.697 -6.764 8.249 591 2HB GLU 83 1HB GLU 83 8.233 -6.268 6.642 592 1HG GLU 83 2HG GLU 83 8.186 -3.971 7.213 593 2HG GLU 83 1HG GLU 83 7.186 -4.259 8.636 594 H TRP 84 H TRP 84 5.027 -3.882 7.962 595 HA TRP 84 HA TRP 84 4.569 -2.563 5.413 596 1HB TRP 84 2HB TRP 84 4.361 -1.035 7.953 597 2HB TRP 84 1HB TRP 84 3.228 -1.128 6.603 598 HD1 TRP 84 HD TRP 84 4.424 -3.186 9.623 599 HE1 TRP 84 1HE TRP 84 2.534 -4.795 10.313 600 HE3 TRP 84 3HE TRP 84 1.067 -2.248 5.900 601 HZ2 TRP 84 2HZ TRP 84 -0.059 -5.584 9.404 602 HZ3 TRP 84 3HZ TRP 84 -1.106 -3.440 5.836 603 HH2 TRP 84 HH TRP 84 -1.671 -5.106 7.582 604 H SER 85 H SER 85 5.779 -0.901 4.541 605 HA SER 85 HA SER 85 8.432 -0.497 5.727 606 1HB SER 85 2HB SER 85 8.861 0.845 3.662 607 2HB SER 85 1HB SER 85 8.303 -0.789 3.308 608 HG SER 85 HG SER 85 6.429 -0.014 2.632 609 H SER 86 H SER 86 5.499 0.822 6.312 610 HA SER 86 HA SER 86 6.757 3.304 7.322 611 1HB SER 86 2HB SER 86 5.616 4.711 5.965 612 2HB SER 86 1HB SER 86 5.254 3.306 4.971 613 HG SER 86 HG SER 86 3.408 2.998 6.374 614 H SER 87 H SER 87 5.240 0.619 8.197 615 HA SER 87 HA SER 87 3.446 2.106 10.108 616 1HB SER 87 2HB SER 87 2.587 0.256 8.303 617 2HB SER 87 1HB SER 87 2.874 -0.762 9.709 618 HG SER 87 HG SER 87 1.706 1.559 10.418 619 H ASP 88 H ASP 88 5.282 -0.962 9.827 620 HA ASP 88 HA ASP 88 7.064 -0.871 11.842 621 1HB ASP 88 2HB ASP 88 4.321 -0.873 13.068 622 2HB ASP 88 1HB ASP 88 5.568 -1.837 13.849 623 H VAL 89 H VAL 89 4.753 -3.101 13.011 624 HA VAL 89 HA VAL 89 6.005 -5.279 11.378 625 HB VAL 89 HB VAL 89 6.641 -5.357 13.766 626 1HG1 VAL 89 1HG1 VAL 89 4.552 -4.205 14.571 627 2HG1 VAL 89 2HG1 VAL 89 4.967 -5.652 15.492 628 3HG1 VAL 89 3HG1 VAL 89 3.676 -5.710 14.291 629 1HG2 VAL 89 1HG2 VAL 89 4.616 -7.540 13.239 630 2HG2 VAL 89 2HG2 VAL 89 6.152 -7.662 14.097 631 3HG2 VAL 89 3HG2 VAL 89 6.134 -7.447 12.347 632 H MET 90 H MET 90 4.558 -7.191 11.091 633 HA MET 90 HA MET 90 2.027 -6.426 10.017 634 1HB MET 90 2HB MET 90 3.503 -8.516 9.530 635 2HB MET 90 1HB MET 90 2.649 -9.241 10.892 636 1HG MET 90 2HG MET 90 0.545 -8.202 9.518 637 2HG MET 90 1HG MET 90 1.646 -8.545 8.183 638 1HE MET 90 1HE MET 90 -0.697 -11.386 10.811 639 2HE MET 90 2HE MET 90 -1.046 -9.736 10.305 640 3HE MET 90 3HE MET 90 0.196 -10.033 11.519 641 H ASN 91 H ASN 91 0.926 -5.287 11.772 642 HA ASN 91 HA ASN 91 0.076 -7.037 14.041 643 1HB ASN 91 2HB ASN 91 0.938 -4.453 14.120 644 2HB ASN 91 1HB ASN 91 -0.800 -4.193 13.959 645 1HD2 ASN 91 1HD2 ASN 91 1.134 -6.677 15.737 646 2HD2 ASN 91 2HD2 ASN 91 0.369 -6.408 17.229 647 H TYR 92 H TYR 92 -0.900 -5.956 11.012 648 HA TYR 92 HA TYR 92 -3.735 -6.631 11.640 649 1HB TYR 92 2HB TYR 92 -3.560 -4.223 11.203 650 2HB TYR 92 1HB TYR 92 -2.740 -4.550 9.677 651 HD1 TYR 92 1HD TYR 92 -5.803 -5.916 11.399 652 HD2 TYR 92 2HD TYR 92 -4.117 -4.208 7.833 653 HE1 TYR 92 1HE TYR 92 -7.988 -6.142 10.256 654 HE2 TYR 92 2HE TYR 92 -6.308 -4.434 6.693 655 HH TYR 92 HH TYR 92 -8.508 -4.840 7.007 656 H PHE 93 H PHE 93 -4.877 -7.675 9.816 657 HA PHE 93 HA PHE 93 -3.046 -8.784 7.730 658 1HB PHE 93 2HB PHE 93 -4.215 -10.993 8.026 659 2HB PHE 93 1HB PHE 93 -3.227 -10.518 9.407 660 HD1 PHE 93 1HD PHE 93 -6.689 -10.770 8.115 661 HD2 PHE 93 2HD PHE 93 -4.215 -9.958 11.532 662 HE1 PHE 93 1HE PHE 93 -8.681 -10.891 9.587 663 HE2 PHE 93 2HE PHE 93 -6.209 -10.080 13.002 664 HZ PHE 93 HZ PHE 93 -8.442 -10.545 12.030 665 H ALA 94 H ALA 94 -4.018 -9.123 5.719 666 HA ALA 94 HA ALA 94 -6.847 -9.192 5.272 667 1HB ALA 94 1HB ALA 94 -5.953 -6.644 4.100 668 2HB ALA 94 2HB ALA 94 -5.984 -6.627 5.862 669 3HB ALA 94 3HB ALA 94 -7.446 -7.021 4.960 670 H TRP 95 H TRP 95 -4.193 -10.322 4.396 671 HA TRP 95 HA TRP 95 -3.869 -9.550 1.608 672 1HB TRP 95 2HB TRP 95 -2.500 -11.787 1.629 673 2HB TRP 95 1HB TRP 95 -1.896 -10.408 2.547 674 HD1 TRP 95 HD TRP 95 -1.711 -10.642 5.107 675 HE1 TRP 95 1HE TRP 95 -2.234 -12.524 6.788 676 HE3 TRP 95 3HE TRP 95 -4.234 -13.870 2.059 677 HZ2 TRP 95 2HZ TRP 95 -3.549 -15.064 6.834 678 HZ3 TRP 95 3HZ TRP 95 -5.110 -16.012 2.947 679 HH2 TRP 95 HH TRP 95 -4.770 -16.613 5.328 680 H GLU 96 H GLU 96 -4.339 -10.969 -0.220 681 HA GLU 96 HA GLU 96 -6.887 -12.408 0.147 682 1HB GLU 96 2HB GLU 96 -6.396 -10.833 -1.797 683 2HB GLU 96 1HB GLU 96 -5.311 -12.078 -2.415 684 1HG GLU 96 2HG GLU 96 -7.249 -13.699 -2.288 685 2HG GLU 96 1HG GLU 96 -8.290 -12.320 -1.933 686 H ARG 97 H ARG 97 -3.597 -13.134 -1.047 687 HA ARG 97 HA ARG 97 -4.117 -16.009 -0.403 688 1HB ARG 97 2HB ARG 97 -3.181 -14.770 -2.954 689 2HB ARG 97 1HB ARG 97 -2.403 -16.276 -2.465 690 1HG ARG 97 2HG ARG 97 -5.404 -16.085 -2.382 691 2HG ARG 97 1HG ARG 97 -4.601 -16.341 -3.931 692 1HD ARG 97 2HD ARG 97 -3.411 -18.301 -2.959 693 2HD ARG 97 1HD ARG 97 -4.304 -18.072 -1.457 694 HE ARG 97 HE ARG 97 -6.071 -18.302 -3.752 695 1HH1 ARG 97 1HH2 ARG 97 -4.390 -20.739 -4.007 696 2HH1 ARG 97 2HH2 ARG 97 -5.204 -21.870 -2.978 697 1HH2 ARG 97 1HH1 ARG 97 -7.031 -19.439 -1.310 698 2HH2 ARG 97 2HH1 ARG 97 -6.700 -21.133 -1.450 699 H ASN 98 H ASN 98 -2.239 -17.169 0.291 700 HA ASN 98 HA ASN 98 -0.188 -15.427 1.492 701 1HB ASN 98 2HB ASN 98 -0.721 -18.403 1.706 702 2HB ASN 98 1HB ASN 98 0.580 -17.573 2.560 703 1HD2 ASN 98 1HD2 ASN 98 -2.950 -17.905 2.359 704 2HD2 ASN 98 2HD2 ASN 98 -3.279 -17.129 3.831 705 HA PRO 99 HA PRO 99 2.776 -16.021 -1.763 706 1HB PRO 99 2HB PRO 99 4.987 -16.336 0.055 707 2HB PRO 99 1HB PRO 99 4.533 -14.907 -0.875 708 1HG PRO 99 2HG PRO 99 4.226 -15.375 1.962 709 2HG PRO 99 1HG PRO 99 3.902 -13.899 1.047 710 1HD PRO 99 2HD PRO 99 1.974 -15.627 2.229 711 2HD PRO 99 1HD PRO 99 1.653 -14.270 1.120 712 H SER 100 H SER 100 2.285 -18.338 0.743 713 HA SER 100 HA SER 100 4.156 -20.329 -0.263 714 1HB SER 100 2HB SER 100 3.232 -20.197 2.116 715 2HB SER 100 1HB SER 100 1.725 -20.838 1.467 716 HG SER 100 HG SER 100 3.246 -22.435 2.282 717 H THR 101 H THR 101 1.207 -19.151 -1.382 718 HA THR 101 HA THR 101 0.776 -21.641 -2.990 719 HB THR 101 HB THR 101 -1.661 -21.065 -2.972 720 HG1 THR 101 1HG THR 101 -1.461 -19.520 -0.746 721 1HG2 THR 101 1HG2 THR 101 -2.080 -21.903 -0.732 722 2HG2 THR 101 2HG2 THR 101 -0.473 -21.402 -0.207 723 3HG2 THR 101 3HG2 THR 101 -0.651 -22.708 -1.380 724 H ILE 102 H ILE 102 2.298 -19.124 -3.556 725 HA ILE 102 HA ILE 102 0.806 -18.359 -6.036 726 HB ILE 102 HB ILE 102 2.263 -16.530 -4.106 727 1HG1 ILE 102 2HG1 ILE 102 -0.547 -16.317 -5.210 728 2HG1 ILE 102 1HG1 ILE 102 -0.186 -17.215 -3.735 729 1HG2 ILE 102 1HG2 ILE 102 1.313 -16.096 -6.945 730 2HG2 ILE 102 2HG2 ILE 102 2.913 -15.782 -6.275 731 3HG2 ILE 102 3HG2 ILE 102 1.552 -14.757 -5.821 732 1HD1 ILE 102 1HD1 ILE 102 0.679 -14.345 -4.130 733 2HD1 ILE 102 2HD1 ILE 102 0.621 -15.264 -2.626 734 3HD1 ILE 102 3HD1 ILE 102 -0.877 -14.774 -3.417 735 H SER 103 H SER 103 2.074 -18.319 -7.867 736 HA SER 103 HA SER 103 4.651 -19.572 -7.814 737 1HB SER 103 2HB SER 103 3.324 -19.707 -9.825 738 2HB SER 103 1HB SER 103 3.238 -17.952 -9.948 739 HG SER 103 HG SER 103 5.200 -17.911 -10.747 740 H SER 104 H SER 104 6.389 -18.600 -6.884 741 HA SER 104 HA SER 104 7.868 -16.890 -6.209 742 1HB SER 104 2HB SER 104 7.286 -16.064 -9.066 743 2HB SER 104 1HB SER 104 8.644 -15.489 -8.102 744 HG SER 104 HG SER 104 8.122 -18.049 -9.147 745 HA PRO 105 HA PRO 105 4.477 -13.854 -5.356 746 1HB PRO 105 2HB PRO 105 5.547 -13.629 -2.692 747 2HB PRO 105 1HB PRO 105 4.026 -14.369 -3.198 748 1HG PRO 105 2HG PRO 105 6.305 -15.710 -2.191 749 2HG PRO 105 1HG PRO 105 4.867 -16.452 -2.902 750 1HD PRO 105 2HD PRO 105 7.555 -16.159 -4.059 751 2HD PRO 105 1HD PRO 105 6.203 -17.182 -4.607 752 H GLY 106 H GLY 106 4.759 -11.660 -5.671 753 1HA GLY 106 2HA GLY 106 7.374 -10.537 -6.026 754 2HA GLY 106 1HA GLY 106 5.876 -9.608 -5.935 755 H HIS 107 H HIS 107 8.346 -8.795 -4.698 756 HA HIS 107 HA HIS 107 7.977 -9.373 -1.817 757 1HB HIS 107 2HB HIS 107 10.005 -7.544 -3.135 758 2HB HIS 107 1HB HIS 107 10.050 -8.162 -1.486 759 HD1 HIS 107 1HD HIS 107 12.472 -8.911 -2.964 760 HD2 HIS 107 2HD HIS 107 9.003 -11.173 -3.329 761 HE1 HIS 107 1HE HIS 107 13.169 -11.202 -3.775 762 H CYS 108 H CYS 108 5.985 -7.798 -3.413 763 HA CYS 108 HA CYS 108 5.774 -5.553 -1.514 764 1HB CYS 108 2HB CYS 108 5.950 -5.172 -4.507 765 2HB CYS 108 1HB CYS 108 5.321 -3.945 -3.408 766 H ALA 109 H ALA 109 3.601 -4.887 -1.228 767 HA ALA 109 HA ALA 109 1.603 -6.600 -2.652 768 1HB ALA 109 1HB ALA 109 0.551 -6.980 -0.679 769 2HB ALA 109 2HB ALA 109 0.728 -5.307 -0.155 770 3HB ALA 109 3HB ALA 109 2.061 -6.442 0.053 771 H SER 110 H SER 110 -0.393 -5.658 -3.236 772 HA SER 110 HA SER 110 -0.602 -2.693 -3.165 773 1HB SER 110 2HB SER 110 -1.454 -3.136 -5.696 774 2HB SER 110 1HB SER 110 0.220 -2.741 -5.322 775 HG SER 110 HG SER 110 -0.762 -4.953 -6.417 776 H LEU 111 H LEU 111 -2.897 -2.037 -3.824 777 HA LEU 111 HA LEU 111 -4.797 -3.985 -2.671 778 1HB LEU 111 2HB LEU 111 -5.200 -1.150 -3.680 779 2HB LEU 111 1HB LEU 111 -6.448 -2.123 -2.915 780 HG LEU 111 HG LEU 111 -3.982 -2.036 -1.320 781 1HD1 LEU 111 1HD1 LEU 111 -3.636 0.191 -2.045 782 2HD1 LEU 111 2HD1 LEU 111 -4.546 0.368 -0.548 783 3HD1 LEU 111 3HD1 LEU 111 -5.363 0.534 -2.101 784 1HD2 LEU 111 1HD2 LEU 111 -6.229 -2.824 -0.558 785 2HD2 LEU 111 2HD2 LEU 111 -6.831 -1.174 -0.730 786 3HD2 LEU 111 3HD2 LEU 111 -5.579 -1.537 0.459 787 H SER 112 H SER 112 -6.206 -5.175 -3.898 788 HA SER 112 HA SER 112 -6.006 -4.914 -6.856 789 1HB SER 112 2HB SER 112 -5.706 -7.140 -5.661 790 2HB SER 112 1HB SER 112 -7.412 -7.063 -5.250 791 HG SER 112 HG SER 112 -6.905 -8.215 -7.227 792 H ARG 113 H ARG 113 -7.584 -3.810 -7.906 793 HA ARG 113 HA ARG 113 -9.950 -2.839 -6.606 794 1HB ARG 113 2HB ARG 113 -8.941 -1.779 -8.616 795 2HB ARG 113 1HB ARG 113 -9.424 -3.175 -9.578 796 1HG ARG 113 2HG ARG 113 -11.618 -1.981 -7.991 797 2HG ARG 113 1HG ARG 113 -10.962 -0.917 -9.232 798 1HD ARG 113 2HD ARG 113 -11.275 -2.710 -10.917 799 2HD ARG 113 1HD ARG 113 -11.978 -3.743 -9.672 800 HE ARG 113 HE ARG 113 -13.214 -1.131 -10.462 801 1HH1 ARG 113 1HH2 ARG 113 -13.846 -4.011 -11.601 802 2HH1 ARG 113 2HH2 ARG 113 -15.344 -4.307 -10.782 803 1HH2 ARG 113 1HH1 ARG 113 -14.936 -1.699 -8.532 804 2HH2 ARG 113 2HH1 ARG 113 -15.960 -2.999 -9.044 805 H SER 114 H SER 114 -9.339 -5.677 -8.648 806 HA SER 114 HA SER 114 -12.039 -6.488 -9.017 807 1HB SER 114 2HB SER 114 -9.738 -8.400 -8.590 808 2HB SER 114 1HB SER 114 -11.172 -8.635 -9.584 809 HG SER 114 HG SER 114 -9.120 -7.982 -10.656 810 H THR 115 H THR 115 -10.021 -6.508 -6.213 811 HA THR 115 HA THR 115 -11.903 -8.316 -4.768 812 HB THR 115 HB THR 115 -10.204 -8.532 -3.085 813 HG1 THR 115 1HG THR 115 -9.606 -6.286 -3.175 814 1HG2 THR 115 1HG2 THR 115 -8.190 -9.190 -4.488 815 2HG2 THR 115 2HG2 THR 115 -9.062 -8.566 -5.887 816 3HG2 THR 115 3HG2 THR 115 -9.718 -9.922 -4.972 817 H ALA 116 H ALA 116 -12.493 -5.514 -5.560 818 HA ALA 116 HA ALA 116 -13.557 -3.661 -4.595 819 1HB ALA 116 1HB ALA 116 -13.416 -5.015 -1.909 820 2HB ALA 116 2HB ALA 116 -14.507 -5.627 -3.152 821 3HB ALA 116 3HB ALA 116 -14.682 -3.976 -2.561 822 H PHE 117 H PHE 117 -10.585 -4.051 -4.592 823 HA PHE 117 HA PHE 117 -8.654 -3.094 -3.648 824 1HB PHE 117 2HB PHE 117 -9.123 -0.598 -3.041 825 2HB PHE 117 1HB PHE 117 -9.338 -1.117 -4.709 826 HD1 PHE 117 1HD PHE 117 -10.993 0.054 -1.676 827 HD2 PHE 117 2HD PHE 117 -11.621 -1.538 -5.614 828 HE1 PHE 117 1HE PHE 117 -13.367 0.767 -1.586 829 HE2 PHE 117 2HE PHE 117 -13.993 -0.825 -5.525 830 HZ PHE 117 HZ PHE 117 -14.867 0.327 -3.510 831 H LEU 118 H LEU 118 -9.957 -4.726 -1.801 832 HA LEU 118 HA LEU 118 -9.451 -3.236 0.744 833 1HB LEU 118 2HB LEU 118 -11.710 -5.059 -0.031 834 2HB LEU 118 1HB LEU 118 -11.177 -5.027 1.648 835 HG LEU 118 HG LEU 118 -11.796 -2.480 0.145 836 1HD1 LEU 118 1HD1 LEU 118 -13.842 -3.692 -0.031 837 2HD1 LEU 118 2HD1 LEU 118 -14.043 -2.631 1.362 838 3HD1 LEU 118 3HD1 LEU 118 -13.684 -4.340 1.601 839 1HD2 LEU 118 1HD2 LEU 118 -12.361 -1.824 2.592 840 2HD2 LEU 118 2HD2 LEU 118 -10.660 -2.020 2.177 841 3HD2 LEU 118 3HD2 LEU 118 -11.509 -3.299 3.043 842 H ARG 119 H ARG 119 -8.424 -5.603 -1.298 843 HA ARG 119 HA ARG 119 -7.227 -7.199 0.940 844 1HB ARG 119 2HB ARG 119 -8.777 -8.061 -1.316 845 2HB ARG 119 1HB ARG 119 -7.133 -8.647 -1.538 846 1HG ARG 119 2HG ARG 119 -8.251 -10.341 -0.285 847 2HG ARG 119 1HG ARG 119 -7.254 -9.477 0.883 848 1HD ARG 119 2HD ARG 119 -9.140 -8.240 1.706 849 2HD ARG 119 1HD ARG 119 -10.159 -8.790 0.378 850 HE ARG 119 HE ARG 119 -9.113 -10.977 2.001 851 1HH1 ARG 119 1HH2 ARG 119 -11.420 -8.428 1.919 852 2HH1 ARG 119 2HH2 ARG 119 -12.668 -9.348 2.693 853 1HH2 ARG 119 1HH1 ARG 119 -10.783 -12.252 2.871 854 2HH2 ARG 119 2HH1 ARG 119 -12.307 -11.513 3.231 855 H TRP 120 H TRP 120 -5.052 -8.146 0.297 856 HA TRP 120 HA TRP 120 -3.567 -6.167 -1.393 857 1HB TRP 120 2HB TRP 120 -2.379 -7.965 0.728 858 2HB TRP 120 1HB TRP 120 -1.649 -6.546 -0.022 859 HD1 TRP 120 HD TRP 120 -4.017 -4.510 0.219 860 HE1 TRP 120 1HE TRP 120 -4.711 -3.607 2.533 861 HE3 TRP 120 3HE TRP 120 -2.089 -8.170 3.206 862 HZ2 TRP 120 2HZ TRP 120 -4.476 -4.345 5.290 863 HZ3 TRP 120 3HZ TRP 120 -2.338 -8.049 5.665 864 HH2 TRP 120 HH TRP 120 -3.530 -6.146 6.712 865 H LYS 121 H LYS 121 -2.073 -6.965 -2.916 866 HA LYS 121 HA LYS 121 -1.940 -9.927 -3.265 867 1HB LYS 121 2HB LYS 121 -3.627 -8.640 -4.827 868 2HB LYS 121 1HB LYS 121 -2.161 -8.130 -5.665 869 1HG LYS 121 2HG LYS 121 -1.489 -10.526 -5.869 870 2HG LYS 121 1HG LYS 121 -3.027 -10.988 -5.139 871 1HD LYS 121 2HD LYS 121 -4.276 -10.087 -6.968 872 2HD LYS 121 1HD LYS 121 -2.859 -9.258 -7.614 873 1HE LYS 121 2HE LYS 121 -2.961 -12.263 -7.329 874 2HE LYS 121 1HE LYS 121 -3.532 -11.441 -8.781 875 1HZ LYS 121 1HZ LYS 121 -1.140 -12.193 -8.783 876 2HZ LYS 121 2HZ LYS 121 -0.838 -10.966 -7.647 877 3HZ LYS 121 3HZ LYS 121 -1.410 -10.572 -9.197 878 H ASP 122 H ASP 122 0.050 -10.664 -3.930 879 HA ASP 122 HA ASP 122 2.265 -8.853 -3.619 880 1HB ASP 122 2HB ASP 122 2.254 -11.673 -4.731 881 2HB ASP 122 1HB ASP 122 3.666 -10.795 -4.143 882 H TYR 123 H TYR 123 3.599 -7.943 -5.206 883 HA TYR 123 HA TYR 123 3.163 -8.637 -8.039 884 1HB TYR 123 2HB TYR 123 1.800 -6.441 -6.841 885 2HB TYR 123 1HB TYR 123 3.066 -5.757 -7.858 886 HD1 TYR 123 1HD TYR 123 2.961 -5.895 -10.249 887 HD2 TYR 123 2HD TYR 123 0.128 -8.030 -7.825 888 HE1 TYR 123 1HE TYR 123 1.605 -6.387 -12.266 889 HE2 TYR 123 2HE TYR 123 -1.227 -8.521 -9.844 890 HH TYR 123 HH TYR 123 -0.129 -8.313 -12.889 891 H ASN 124 H ASN 124 4.855 -7.714 -9.422 892 HA ASN 124 HA ASN 124 7.443 -7.768 -8.276 893 1HB ASN 124 2HB ASN 124 6.746 -7.967 -10.761 894 2HB ASN 124 1HB ASN 124 6.802 -6.204 -10.782 895 1HD2 ASN 124 1HD2 ASN 124 8.921 -5.172 -10.336 896 2HD2 ASN 124 2HD2 ASN 124 10.360 -6.050 -10.541 897 H CYS 125 H CYS 125 8.348 -6.334 -6.926 898 HA CYS 125 HA CYS 125 7.278 -3.866 -6.137 899 1HB CYS 125 2HB CYS 125 10.175 -4.753 -6.156 900 2HB CYS 125 1HB CYS 125 9.560 -3.365 -5.260 901 H ASN 126 H ASN 126 8.408 -4.470 -9.218 902 HA ASN 126 HA ASN 126 9.546 -1.734 -9.530 903 1HB ASN 126 2HB ASN 126 10.734 -3.783 -10.463 904 2HB ASN 126 1HB ASN 126 9.419 -3.909 -11.633 905 1HD2 ASN 126 1HD2 ASN 126 12.435 -2.410 -11.041 906 2HD2 ASN 126 2HD2 ASN 126 12.359 -1.237 -12.268 907 H VAL 127 H VAL 127 6.813 -3.716 -10.655 908 HA VAL 127 HA VAL 127 5.876 -1.999 -12.713 909 HB VAL 127 HB VAL 127 4.323 -3.662 -10.700 910 1HG1 VAL 127 1HG1 VAL 127 2.427 -3.449 -12.302 911 2HG1 VAL 127 2HG1 VAL 127 3.369 -2.282 -13.229 912 3HG1 VAL 127 3HG1 VAL 127 2.865 -1.900 -11.586 913 1HG2 VAL 127 1HG2 VAL 127 5.922 -4.752 -12.388 914 2HG2 VAL 127 2HG2 VAL 127 4.813 -4.187 -13.638 915 3HG2 VAL 127 3HG2 VAL 127 4.253 -5.322 -12.409 916 H ARG 128 H ARG 128 5.017 0.105 -12.604 917 HA ARG 128 HA ARG 128 4.917 1.293 -9.919 918 1HB ARG 128 2HB ARG 128 4.291 3.337 -11.560 919 2HB ARG 128 1HB ARG 128 5.953 2.825 -11.288 920 1HG ARG 128 2HG ARG 128 5.935 1.471 -13.290 921 2HG ARG 128 1HG ARG 128 4.208 1.752 -13.520 922 1HD ARG 128 2HD ARG 128 4.542 3.834 -14.409 923 2HD ARG 128 1HD ARG 128 5.871 4.201 -13.310 924 HE ARG 128 HE ARG 128 6.117 3.001 -15.962 925 1HH1 ARG 128 1HH2 ARG 128 8.065 4.972 -14.889 926 2HH1 ARG 128 2HH2 ARG 128 9.426 3.977 -14.489 927 1HH2 ARG 128 1HH1 ARG 128 7.622 1.018 -14.555 928 2HH2 ARG 128 2HH1 ARG 128 9.175 1.739 -14.300 929 H LEU 129 H LEU 129 2.980 2.357 -9.046 930 HA LEU 129 HA LEU 129 0.527 1.860 -10.693 931 1HB LEU 129 2HB LEU 129 1.128 0.671 -7.986 932 2HB LEU 129 1HB LEU 129 -0.529 0.921 -8.511 933 HG LEU 129 HG LEU 129 0.620 -0.337 -10.709 934 1HD1 LEU 129 1HD1 LEU 129 1.706 -2.359 -9.691 935 2HD1 LEU 129 2HD1 LEU 129 1.721 -1.520 -8.142 936 3HD1 LEU 129 3HD1 LEU 129 2.658 -0.888 -9.495 937 1HD2 LEU 129 1HD2 LEU 129 -1.560 -0.875 -9.912 938 2HD2 LEU 129 2HD2 LEU 129 -0.936 -1.362 -8.334 939 3HD2 LEU 129 3HD2 LEU 129 -0.611 -2.354 -9.756 940 HA PRO 130 HA PRO 130 -0.780 5.646 -8.796 941 1HB PRO 130 2HB PRO 130 -3.406 4.700 -8.038 942 2HB PRO 130 1HB PRO 130 -2.990 5.741 -9.402 943 1HG PRO 130 2HG PRO 130 -3.770 2.956 -9.448 944 2HG PRO 130 1HG PRO 130 -3.461 4.030 -10.815 945 1HD PRO 130 2HD PRO 130 -1.834 1.853 -9.949 946 2HD PRO 130 1HD PRO 130 -1.426 3.056 -11.195 947 H TYR 131 H TYR 131 -0.586 6.285 -6.492 948 HA TYR 131 HA TYR 131 -1.111 4.097 -4.530 949 1HB TYR 131 2HB TYR 131 1.125 4.254 -3.589 950 2HB TYR 131 1HB TYR 131 1.239 3.895 -5.311 951 HD1 TYR 131 1HD TYR 131 1.659 5.790 -6.945 952 HD2 TYR 131 2HD TYR 131 2.080 6.242 -2.695 953 HE1 TYR 131 1HE TYR 131 3.015 7.836 -7.297 954 HE2 TYR 131 2HE TYR 131 3.436 8.290 -3.047 955 HH TYR 131 HH TYR 131 4.975 9.131 -5.160 956 H VAL 132 H VAL 132 -0.415 4.919 -2.233 957 HA VAL 132 HA VAL 132 -1.326 7.768 -1.939 958 HB VAL 132 HB VAL 132 -1.905 5.381 -0.155 959 1HG1 VAL 132 1HG1 VAL 132 -3.248 7.037 1.158 960 2HG1 VAL 132 2HG1 VAL 132 -2.569 8.324 0.164 961 3HG1 VAL 132 3HG1 VAL 132 -1.519 7.371 1.210 962 1HG2 VAL 132 1HG2 VAL 132 -3.877 7.199 -1.542 963 2HG2 VAL 132 2HG2 VAL 132 -4.163 5.604 -0.848 964 3HG2 VAL 132 3HG2 VAL 132 -3.231 5.763 -2.337 965 H CYS 133 H CYS 133 -0.337 8.882 -0.089 966 HA CYS 133 HA CYS 133 2.119 7.546 0.973 967 1HB CYS 133 2HB CYS 133 2.960 8.866 -0.826 968 2HB CYS 133 1HB CYS 133 1.902 10.218 -0.425 969 H LYS 134 H LYS 134 2.334 7.834 3.161 970 HA LYS 134 HA LYS 134 0.520 9.814 4.472 971 1HB LYS 134 2HB LYS 134 0.533 8.436 6.351 972 2HB LYS 134 1HB LYS 134 0.721 7.245 5.068 973 1HG LYS 134 2HG LYS 134 3.275 7.612 5.398 974 2HG LYS 134 1HG LYS 134 2.818 8.342 6.937 975 1HD LYS 134 2HD LYS 134 2.140 5.534 6.014 976 2HD LYS 134 1HD LYS 134 3.297 5.969 7.271 977 1HE LYS 134 2HE LYS 134 1.221 7.223 8.323 978 2HE LYS 134 1HE LYS 134 0.300 6.091 7.332 979 1HZ LYS 134 1HZ LYS 134 2.295 4.613 8.538 980 2HZ LYS 134 2HZ LYS 134 0.635 4.589 8.902 981 3HZ LYS 134 3HZ LYS 134 1.682 5.619 9.757 982 H PHE 135 H PHE 135 1.413 11.220 6.169 983 HA PHE 135 HA PHE 135 4.241 11.352 6.732 984 1HB PHE 135 2HB PHE 135 4.750 13.439 5.432 985 2HB PHE 135 1HB PHE 135 4.507 12.018 4.421 986 HD1 PHE 135 1HD PHE 135 2.497 11.766 3.044 987 HD2 PHE 135 2HD PHE 135 3.087 15.233 5.508 988 HE1 PHE 135 1HE PHE 135 0.670 12.932 1.840 989 HE2 PHE 135 2HE PHE 135 1.259 16.399 4.306 990 HZ PHE 135 HZ PHE 135 0.049 15.247 2.471 991 H THR 136 H THR 136 4.238 12.344 8.699 992 HA THR 136 HA THR 136 2.020 14.151 9.415 993 HB THR 136 HB THR 136 4.346 13.681 11.245 994 HG1 THR 136 1HG THR 136 2.777 11.736 10.096 995 1HG2 THR 136 1HG2 THR 136 2.488 13.491 12.890 996 2HG2 THR 136 2HG2 THR 136 1.332 13.714 11.578 997 3HG2 THR 136 3HG2 THR 136 2.443 15.015 12.003 998 H ASP 137 H ASP 137 2.775 16.193 10.734 999 HA ASP 137 HA ASP 137 4.288 17.853 8.906 1000 1HB ASP 137 2HB ASP 137 3.405 18.422 11.754 1001 2HB ASP 137 1HB ASP 137 3.947 19.621 10.579 Start of MODEL 18 1 1H ARG 1 1HT ARG 1 -3.743 19.408 10.496 2 2H ARG 1 2HT ARG 1 -5.302 18.763 10.299 3 3H ARG 1 3HT ARG 1 -5.096 20.297 11.000 4 HA ARG 1 HA ARG 1 -5.857 20.486 8.711 5 1HB ARG 1 2HB ARG 1 -4.252 22.148 9.790 6 2HB ARG 1 1HB ARG 1 -2.955 21.319 8.928 7 1HG ARG 1 2HG ARG 1 -3.984 21.812 6.787 8 2HG ARG 1 1HG ARG 1 -5.406 22.490 7.582 9 1HD ARG 1 2HD ARG 1 -2.637 23.599 8.059 10 2HD ARG 1 1HD ARG 1 -3.651 24.166 6.733 11 HE ARG 1 HE ARG 1 -5.183 24.261 9.133 12 1HH1 ARG 1 1HH2 ARG 1 -3.483 26.134 6.947 13 2HH1 ARG 1 2HH2 ARG 1 -3.225 27.473 8.015 14 1HH2 ARG 1 1HH1 ARG 1 -4.414 25.810 10.816 15 2HH2 ARG 1 2HH1 ARG 1 -3.752 27.290 10.205 16 H CYS 2 H CYS 2 -5.692 19.789 6.596 17 HA CYS 2 HA CYS 2 -3.367 18.208 5.762 18 1HB CYS 2 2HB CYS 2 -5.418 16.835 6.876 19 2HB CYS 2 1HB CYS 2 -5.981 16.899 5.209 20 HA PRO 3 HA PRO 3 -4.269 20.507 2.051 21 1HB PRO 3 2HB PRO 3 -3.262 18.425 0.335 22 2HB PRO 3 1HB PRO 3 -2.475 19.933 0.808 23 1HG PRO 3 2HG PRO 3 -1.895 17.249 1.707 24 2HG PRO 3 1HG PRO 3 -1.032 18.744 2.080 25 1HD PRO 3 2HD PRO 3 -2.648 17.220 3.857 26 2HD PRO 3 1HD PRO 3 -1.952 18.829 4.166 27 H LYS 4 H LYS 4 -5.605 20.333 0.078 28 HA LYS 4 HA LYS 4 -8.041 18.934 0.486 29 1HB LYS 4 2HB LYS 4 -6.893 20.143 -2.045 30 2HB LYS 4 1HB LYS 4 -8.560 19.604 -1.857 31 1HG LYS 4 2HG LYS 4 -8.967 21.744 -1.184 32 2HG LYS 4 1HG LYS 4 -8.257 21.233 0.346 33 1HD LYS 4 2HD LYS 4 -5.994 21.896 -0.631 34 2HD LYS 4 1HD LYS 4 -6.890 22.661 -1.944 35 1HE LYS 4 2HE LYS 4 -6.571 24.414 -0.396 36 2HE LYS 4 1HE LYS 4 -8.213 23.862 -0.065 37 1HZ LYS 4 1HZ LYS 4 -7.484 22.649 1.798 38 2HZ LYS 4 2HZ LYS 4 -6.733 24.169 1.923 39 3HZ LYS 4 3HZ LYS 4 -5.849 22.821 1.384 40 H GLY 5 H GLY 5 -8.781 16.994 -0.358 41 1HA GLY 5 2HA GLY 5 -8.696 14.941 -1.530 42 2HA GLY 5 1HA GLY 5 -7.222 15.505 -2.332 43 H SER 6 H SER 6 -6.443 16.307 0.588 44 HA SER 6 HA SER 6 -5.104 13.700 1.140 45 1HB SER 6 2HB SER 6 -4.592 16.220 2.703 46 2HB SER 6 1HB SER 6 -3.488 14.899 2.335 47 HG SER 6 HG SER 6 -3.045 15.793 0.475 48 H LYS 7 H LYS 7 -5.466 12.539 3.057 49 HA LYS 7 HA LYS 7 -7.538 13.670 4.912 50 1HB LYS 7 2HB LYS 7 -7.259 10.771 4.065 51 2HB LYS 7 1HB LYS 7 -8.483 11.427 5.149 52 1HG LYS 7 2HG LYS 7 -8.351 12.814 2.547 53 2HG LYS 7 1HG LYS 7 -8.792 11.115 2.418 54 1HD LYS 7 2HD LYS 7 -10.818 12.432 2.686 55 2HD LYS 7 1HD LYS 7 -10.558 11.488 4.152 56 1HE LYS 7 2HE LYS 7 -9.795 13.371 5.368 57 2HE LYS 7 1HE LYS 7 -9.522 14.312 3.901 58 1HZ LYS 7 1HZ LYS 7 -12.209 13.365 4.702 59 2HZ LYS 7 2HZ LYS 7 -11.815 14.556 3.556 60 3HZ LYS 7 3HZ LYS 7 -11.585 14.858 5.212 61 H ALA 8 H ALA 8 -6.979 13.574 7.057 62 HA ALA 8 HA ALA 8 -4.335 12.467 7.724 63 1HB ALA 8 1HB ALA 8 -5.192 14.685 8.603 64 2HB ALA 8 2HB ALA 8 -4.587 13.579 9.837 65 3HB ALA 8 3HB ALA 8 -6.324 13.767 9.597 66 H TYR 9 H TYR 9 -4.048 10.989 9.548 67 HA TYR 9 HA TYR 9 -6.264 9.558 10.708 68 1HB TYR 9 2HB TYR 9 -6.208 8.727 8.270 69 2HB TYR 9 1HB TYR 9 -4.687 7.940 8.699 70 HD1 TYR 9 1HD TYR 9 -8.325 8.045 9.328 71 HD2 TYR 9 2HD TYR 9 -4.627 6.050 10.222 72 HE1 TYR 9 1HE TYR 9 -9.583 6.174 10.361 73 HE2 TYR 9 2HE TYR 9 -5.885 4.179 11.253 74 HH TYR 9 HH TYR 9 -9.058 4.376 12.153 75 H GLY 10 H GLY 10 -5.503 8.604 12.557 76 1HA GLY 10 2HA GLY 10 -3.975 7.751 14.126 77 2HA GLY 10 1HA GLY 10 -2.920 7.350 12.771 78 H SER 11 H SER 11 -1.704 9.244 11.807 79 HA SER 11 HA SER 11 -1.422 11.712 13.233 80 1HB SER 11 2HB SER 11 0.913 11.190 14.149 81 2HB SER 11 1HB SER 11 -0.445 10.505 15.037 82 HG SER 11 HG SER 11 0.044 8.547 14.304 83 H HIS 12 H HIS 12 -1.578 10.915 10.508 84 HA HIS 12 HA HIS 12 0.841 12.211 9.484 85 1HB HIS 12 2HB HIS 12 0.051 9.427 8.569 86 2HB HIS 12 1HB HIS 12 1.368 10.397 7.913 87 HD1 HIS 12 1HD HIS 12 3.420 10.856 9.541 88 HD2 HIS 12 2HD HIS 12 0.674 8.040 10.917 89 HE1 HIS 12 1HE HIS 12 4.555 9.615 11.434 90 H CYS 13 H CYS 13 0.374 13.235 7.497 91 HA CYS 13 HA CYS 13 -2.482 13.302 6.775 92 1HB CYS 13 2HB CYS 13 -0.151 15.030 6.399 93 2HB CYS 13 1HB CYS 13 -1.076 14.847 4.909 94 H TYR 14 H TYR 14 -3.316 12.054 5.163 95 HA TYR 14 HA TYR 14 -1.391 10.548 3.480 96 1HB TYR 14 2HB TYR 14 -4.346 10.135 4.000 97 2HB TYR 14 1HB TYR 14 -3.364 9.117 2.947 98 HD1 TYR 14 1HD TYR 14 -3.398 10.491 6.442 99 HD2 TYR 14 2HD TYR 14 -2.273 7.252 3.854 100 HE1 TYR 14 1HE TYR 14 -2.642 9.187 8.406 101 HE2 TYR 14 2HE TYR 14 -1.516 5.950 5.826 102 HH TYR 14 HH TYR 14 -1.934 7.199 9.126 103 H ALA 15 H ALA 15 -1.560 10.551 1.202 104 HA ALA 15 HA ALA 15 -3.540 12.382 -0.029 105 1HB ALA 15 1HB ALA 15 -1.741 13.519 -1.325 106 2HB ALA 15 2HB ALA 15 -0.537 12.656 -0.369 107 3HB ALA 15 3HB ALA 15 -1.608 13.822 0.407 108 H LEU 16 H LEU 16 -4.323 11.447 -1.840 109 HA LEU 16 HA LEU 16 -3.009 9.014 -2.871 110 1HB LEU 16 2HB LEU 16 -5.382 8.839 -2.594 111 2HB LEU 16 1HB LEU 16 -5.660 10.370 -3.419 112 HG LEU 16 HG LEU 16 -4.864 9.397 -5.530 113 1HD1 LEU 16 1HD1 LEU 16 -3.245 7.790 -4.876 114 2HD1 LEU 16 2HD1 LEU 16 -4.579 6.829 -5.507 115 3HD1 LEU 16 3HD1 LEU 16 -4.361 6.999 -3.766 116 1HD2 LEU 16 1HD2 LEU 16 -7.213 9.183 -5.197 117 2HD2 LEU 16 2HD2 LEU 16 -7.001 7.880 -4.026 118 3HD2 LEU 16 3HD2 LEU 16 -6.673 7.593 -5.735 119 H PHE 17 H PHE 17 -1.898 8.934 -4.793 120 HA PHE 17 HA PHE 17 -1.924 11.368 -6.521 121 1HB PHE 17 2HB PHE 17 0.333 9.695 -5.466 122 2HB PHE 17 1HB PHE 17 0.487 10.362 -7.091 123 HD1 PHE 17 1HD PHE 17 0.173 12.868 -7.420 124 HD2 PHE 17 2HD PHE 17 0.642 11.064 -3.550 125 HE1 PHE 17 1HE PHE 17 0.772 15.076 -6.464 126 HE2 PHE 17 2HE PHE 17 1.241 13.273 -2.594 127 HZ PHE 17 HZ PHE 17 1.307 15.278 -4.051 128 H LEU 18 H LEU 18 -2.916 10.823 -8.385 129 HA LEU 18 HA LEU 18 -3.285 8.068 -9.198 130 1HB LEU 18 2HB LEU 18 -3.637 10.427 -11.045 131 2HB LEU 18 1HB LEU 18 -4.575 8.934 -10.967 132 HG LEU 18 HG LEU 18 -4.588 11.192 -8.945 133 1HD1 LEU 18 1HD1 LEU 18 -6.661 10.067 -10.848 134 2HD1 LEU 18 2HD1 LEU 18 -5.942 11.677 -10.893 135 3HD1 LEU 18 3HD1 LEU 18 -7.024 11.232 -9.575 136 1HD2 LEU 18 1HD2 LEU 18 -6.365 9.777 -7.834 137 2HD2 LEU 18 2HD2 LEU 18 -4.740 9.104 -7.732 138 3HD2 LEU 18 3HD2 LEU 18 -5.891 8.453 -8.898 139 H SER 19 H SER 19 -0.578 9.615 -8.962 140 HA SER 19 HA SER 19 0.449 9.151 -11.702 141 1HB SER 19 2HB SER 19 2.583 9.817 -9.968 142 2HB SER 19 1HB SER 19 1.816 10.838 -11.179 143 HG SER 19 HG SER 19 0.130 10.913 -9.287 144 HA PRO 20 HA PRO 20 1.623 4.996 -10.437 145 1HB PRO 20 2HB PRO 20 3.270 4.772 -12.775 146 2HB PRO 20 1HB PRO 20 1.671 4.082 -12.499 147 1HG PRO 20 2HG PRO 20 2.381 6.258 -14.230 148 2HG PRO 20 1HG PRO 20 0.783 5.559 -13.963 149 1HD PRO 20 2HD PRO 20 1.777 8.110 -13.081 150 2HD PRO 20 1HD PRO 20 0.160 7.407 -12.817 151 H LYS 21 H LYS 21 3.532 4.034 -9.516 152 HA LYS 21 HA LYS 21 6.155 5.250 -9.952 153 1HB LYS 21 2HB LYS 21 4.612 5.741 -7.404 154 2HB LYS 21 1HB LYS 21 6.376 5.734 -7.409 155 1HG LYS 21 2HG LYS 21 6.101 7.404 -9.427 156 2HG LYS 21 1HG LYS 21 4.485 7.642 -8.761 157 1HD LYS 21 2HD LYS 21 5.457 8.221 -6.575 158 2HD LYS 21 1HD LYS 21 7.078 7.968 -7.225 159 1HE LYS 21 2HE LYS 21 5.084 9.999 -8.275 160 2HE LYS 21 1HE LYS 21 6.446 10.372 -7.218 161 1HZ LYS 21 1HZ LYS 21 7.930 9.450 -8.922 162 2HZ LYS 21 2HZ LYS 21 7.045 10.783 -9.496 163 3HZ LYS 21 3HZ LYS 21 6.599 9.206 -9.945 164 H SER 22 H SER 22 7.627 3.616 -9.736 165 HA SER 22 HA SER 22 7.029 0.962 -9.123 166 1HB SER 22 2HB SER 22 9.655 2.319 -8.485 167 2HB SER 22 1HB SER 22 9.404 0.607 -8.810 168 HG SER 22 HG SER 22 9.027 2.793 -10.583 169 H TRP 23 H TRP 23 6.996 -0.281 -7.203 170 HA TRP 23 HA TRP 23 6.124 0.930 -4.814 171 1HB TRP 23 2HB TRP 23 5.922 -1.497 -5.225 172 2HB TRP 23 1HB TRP 23 7.673 -1.665 -5.104 173 HD1 TRP 23 HD TRP 23 4.556 -1.423 -3.036 174 HE1 TRP 23 1HE TRP 23 5.157 -1.548 -0.534 175 HE3 TRP 23 3HE TRP 23 9.635 -0.967 -3.326 176 HZ2 TRP 23 2HZ TRP 23 7.485 -1.466 1.127 177 HZ3 TRP 23 3HZ TRP 23 11.018 -0.993 -1.270 178 HH2 TRP 23 HH TRP 23 9.951 -1.242 0.954 179 H THR 24 H THR 24 9.309 0.541 -6.104 180 HA THR 24 HA THR 24 10.615 1.254 -3.551 181 HB THR 24 HB THR 24 11.556 -0.439 -5.187 182 HG1 THR 24 1HG THR 24 12.752 0.946 -3.594 183 1HG2 THR 24 1HG2 THR 24 12.597 0.313 -7.198 184 2HG2 THR 24 2HG2 THR 24 12.365 2.006 -6.766 185 3HG2 THR 24 3HG2 THR 24 10.977 1.005 -7.192 186 H ASP 25 H ASP 25 9.392 2.726 -6.364 187 HA ASP 25 HA ASP 25 11.065 5.142 -6.169 188 1HB ASP 25 2HB ASP 25 10.419 4.466 -8.396 189 2HB ASP 25 1HB ASP 25 8.717 4.404 -7.935 190 H ALA 26 H ALA 26 7.708 4.144 -5.510 191 HA ALA 26 HA ALA 26 6.928 6.791 -4.601 192 1HB ALA 26 1HB ALA 26 5.610 4.179 -3.863 193 2HB ALA 26 2HB ALA 26 5.408 4.882 -5.462 194 3HB ALA 26 3HB ALA 26 4.861 5.765 -4.039 195 H ASP 27 H ASP 27 8.305 3.866 -3.304 196 HA ASP 27 HA ASP 27 7.967 4.450 -0.519 197 1HB ASP 27 2HB ASP 27 8.572 2.220 -1.317 198 2HB ASP 27 1HB ASP 27 10.074 2.848 -1.994 199 H LEU 28 H LEU 28 10.592 5.100 -2.829 200 HA LEU 28 HA LEU 28 12.249 6.471 -0.887 201 1HB LEU 28 2HB LEU 28 13.052 5.387 -3.043 202 2HB LEU 28 1HB LEU 28 12.349 6.759 -3.898 203 HG LEU 28 HG LEU 28 13.757 8.184 -2.181 204 1HD1 LEU 28 1HD1 LEU 28 14.532 6.335 -0.796 205 2HD1 LEU 28 2HD1 LEU 28 15.914 7.023 -1.649 206 3HD1 LEU 28 3HD1 LEU 28 15.197 5.513 -2.209 207 1HD2 LEU 28 1HD2 LEU 28 14.157 8.281 -4.561 208 2HD2 LEU 28 2HD2 LEU 28 14.899 6.681 -4.553 209 3HD2 LEU 28 3HD2 LEU 28 15.717 8.034 -3.774 210 H ALA 29 H ALA 29 9.769 7.473 -3.191 211 HA ALA 29 HA ALA 29 10.330 10.311 -2.882 212 1HB ALA 29 1HB ALA 29 8.177 10.618 -4.058 213 2HB ALA 29 2HB ALA 29 7.877 8.884 -3.931 214 3HB ALA 29 3HB ALA 29 9.228 9.477 -4.897 215 H CYS 30 H CYS 30 7.558 8.280 -1.791 216 HA CYS 30 HA CYS 30 6.470 10.304 -0.105 217 1HB CYS 30 2HB CYS 30 5.208 8.281 -0.746 218 2HB CYS 30 1HB CYS 30 6.314 7.288 0.197 219 H GLN 31 H GLN 31 9.328 8.492 0.119 220 HA GLN 31 HA GLN 31 9.502 8.508 3.035 221 1HB GLN 31 2HB GLN 31 10.745 6.766 1.998 222 2HB GLN 31 1HB GLN 31 11.454 7.868 0.819 223 1HG GLN 31 2HG GLN 31 12.875 8.861 2.440 224 2HG GLN 31 1HG GLN 31 11.952 8.181 3.782 225 1HE2 GLN 31 1HE2 GLN 31 13.603 6.872 0.837 226 2HE2 GLN 31 2HE2 GLN 31 14.355 5.590 1.657 227 H LYS 32 H LYS 32 10.468 10.564 0.358 228 HA LYS 32 HA LYS 32 12.285 12.208 1.834 229 1HB LYS 32 2HB LYS 32 12.373 13.550 -0.054 230 2HB LYS 32 1HB LYS 32 11.774 12.049 -0.760 231 1HG LYS 32 2HG LYS 32 9.410 13.007 -0.253 232 2HG LYS 32 1HG LYS 32 10.236 14.554 -0.076 233 1HD LYS 32 2HD LYS 32 10.493 12.779 -2.518 234 2HD LYS 32 1HD LYS 32 9.359 14.123 -2.397 235 1HE LYS 32 2HE LYS 32 11.367 15.593 -1.826 236 2HE LYS 32 1HE LYS 32 12.379 14.239 -2.325 237 1HZ LYS 32 1HZ LYS 32 12.178 15.302 -4.302 238 2HZ LYS 32 2HZ LYS 32 10.661 15.971 -3.932 239 3HZ LYS 32 3HZ LYS 32 10.783 14.342 -4.401 240 H ARG 33 H ARG 33 9.064 11.693 2.297 241 HA ARG 33 HA ARG 33 8.325 14.448 3.003 242 1HB ARG 33 2HB ARG 33 6.924 11.792 2.979 243 2HB ARG 33 1HB ARG 33 6.209 13.156 3.823 244 1HG ARG 33 2HG ARG 33 7.166 13.497 0.992 245 2HG ARG 33 1HG ARG 33 5.608 12.734 1.296 246 1HD ARG 33 2HD ARG 33 5.010 14.746 2.720 247 2HD ARG 33 1HD ARG 33 6.480 15.515 2.121 248 HE ARG 33 HE ARG 33 4.048 14.952 0.539 249 1HH1 ARG 33 1HH1 ARG 33 7.383 14.999 0.067 250 2HH1 ARG 33 2HH1 ARG 33 7.360 16.184 -1.196 251 1HH2 ARG 33 1HH2 ARG 33 3.987 16.896 -0.828 252 2HH2 ARG 33 2HH2 ARG 33 5.439 17.258 -1.702 253 HA PRO 34 HA PRO 34 9.431 14.517 7.251 254 1HB PRO 34 2HB PRO 34 6.747 14.857 8.272 255 2HB PRO 34 1HB PRO 34 8.014 16.074 8.090 256 1HG PRO 34 2HG PRO 34 5.659 15.619 6.426 257 2HG PRO 34 1HG PRO 34 6.764 16.997 6.435 258 1HD PRO 34 2HD PRO 34 6.593 15.103 4.395 259 2HD PRO 34 1HD PRO 34 7.992 16.166 4.673 260 H SER 35 H SER 35 9.897 12.181 7.068 261 HA SER 35 HA SER 35 9.765 10.017 7.927 262 1HB SER 35 2HB SER 35 7.430 10.815 9.644 263 2HB SER 35 1HB SER 35 8.753 9.712 10.013 264 HG SER 35 HG SER 35 8.559 12.271 10.606 265 H GLY 36 H GLY 36 7.838 11.252 5.803 266 1HA GLY 36 2HA GLY 36 5.484 9.545 5.982 267 2HA GLY 36 1HA GLY 36 5.953 10.512 4.586 268 H ASN 37 H ASN 37 5.052 8.213 3.817 269 HA ASN 37 HA ASN 37 6.982 6.905 2.310 270 1HB ASN 37 2HB ASN 37 7.036 6.048 5.131 271 2HB ASN 37 1HB ASN 37 6.829 4.712 4.002 272 1HD2 ASN 37 1HD2 ASN 37 8.469 4.656 2.137 273 2HD2 ASN 37 2HD2 ASN 37 10.047 5.187 2.464 274 H LEU 38 H LEU 38 6.007 5.137 1.114 275 HA LEU 38 HA LEU 38 3.479 5.110 0.334 276 1HB LEU 38 2HB LEU 38 5.026 2.662 1.177 277 2HB LEU 38 1HB LEU 38 3.471 2.553 0.355 278 HG LEU 38 HG LEU 38 5.764 4.185 -0.733 279 1HD1 LEU 38 1HD1 LEU 38 6.420 1.784 -0.493 280 2HD1 LEU 38 2HD1 LEU 38 6.321 2.304 -2.176 281 3HD1 LEU 38 3HD1 LEU 38 5.021 1.340 -1.473 282 1HD2 LEU 38 1HD2 LEU 38 4.085 3.137 -2.751 283 2HD2 LEU 38 2HD2 LEU 38 4.181 4.808 -2.198 284 3HD2 LEU 38 3HD2 LEU 38 3.008 3.713 -1.481 285 H VAL 39 H VAL 39 1.440 4.911 1.098 286 HA VAL 39 HA VAL 39 0.615 5.294 3.654 287 HB VAL 39 HB VAL 39 -1.027 5.246 1.950 288 1HG1 VAL 39 1HG1 VAL 39 0.078 3.638 0.458 289 2HG1 VAL 39 2HG1 VAL 39 -1.599 3.161 0.727 290 3HG1 VAL 39 3HG1 VAL 39 -0.299 2.325 1.576 291 1HG2 VAL 39 1HG2 VAL 39 -2.771 3.995 2.952 292 2HG2 VAL 39 2HG2 VAL 39 -1.656 4.315 4.278 293 3HG2 VAL 39 3HG2 VAL 39 -1.667 2.735 3.500 294 H SER 40 H SER 40 -0.127 4.015 5.397 295 HA SER 40 HA SER 40 1.209 1.341 5.630 296 1HB SER 40 2HB SER 40 0.711 1.989 8.188 297 2HB SER 40 1HB SER 40 2.168 2.531 7.364 298 HG SER 40 HG SER 40 0.281 4.238 6.742 299 H VAL 41 H VAL 41 -0.067 0.004 7.480 300 HA VAL 41 HA VAL 41 -2.942 0.448 7.556 301 HB VAL 41 HB VAL 41 -2.713 -2.181 6.382 302 1HG1 VAL 41 1HG1 VAL 41 -3.973 0.368 5.341 303 2HG1 VAL 41 2HG1 VAL 41 -4.736 -0.772 6.451 304 3HG1 VAL 41 3HG1 VAL 41 -4.345 -1.271 4.804 305 1HG2 VAL 41 1HG2 VAL 41 -1.832 -0.031 4.452 306 2HG2 VAL 41 2HG2 VAL 41 -1.803 -1.779 4.242 307 3HG2 VAL 41 3HG2 VAL 41 -0.648 -1.005 5.322 308 H LEU 42 H LEU 42 -2.490 0.231 9.844 309 HA LEU 42 HA LEU 42 -1.790 -2.556 10.702 310 1HB LEU 42 2HB LEU 42 -1.369 0.096 12.081 311 2HB LEU 42 1HB LEU 42 -1.209 -1.451 12.910 312 HG LEU 42 HG LEU 42 0.295 -0.795 10.375 313 1HD1 LEU 42 1HD1 LEU 42 1.227 -0.544 13.255 314 2HD1 LEU 42 2HD1 LEU 42 0.888 0.812 12.179 315 3HD1 LEU 42 3HD1 LEU 42 2.222 -0.284 11.822 316 1HD2 LEU 42 1HD2 LEU 42 1.793 -2.614 11.388 317 2HD2 LEU 42 2HD2 LEU 42 0.234 -3.147 10.771 318 3HD2 LEU 42 3HD2 LEU 42 0.469 -2.935 12.500 319 H SER 43 H SER 43 -4.501 -0.955 10.146 320 HA SER 43 HA SER 43 -5.833 -2.159 12.527 321 1HB SER 43 2HB SER 43 -6.351 0.644 11.496 322 2HB SER 43 1HB SER 43 -7.268 -0.161 12.766 323 HG SER 43 HG SER 43 -4.846 1.081 12.866 324 H GLY 44 H GLY 44 -7.950 -2.886 12.123 325 1HA GLY 44 2HA GLY 44 -8.543 -3.648 9.420 326 2HA GLY 44 1HA GLY 44 -9.658 -3.783 10.781 327 H ALA 45 H ALA 45 -9.189 -0.805 11.273 328 HA ALA 45 HA ALA 45 -11.376 0.110 9.529 329 1HB ALA 45 1HB ALA 45 -11.093 2.244 10.885 330 2HB ALA 45 2HB ALA 45 -9.853 1.393 11.809 331 3HB ALA 45 3HB ALA 45 -11.517 0.811 11.822 332 H GLU 46 H GLU 46 -7.910 0.609 9.940 333 HA GLU 46 HA GLU 46 -7.735 2.874 8.150 334 1HB GLU 46 2HB GLU 46 -5.985 2.260 9.846 335 2HB GLU 46 1HB GLU 46 -5.570 0.869 8.845 336 1HG GLU 46 2HG GLU 46 -5.050 2.372 6.960 337 2HG GLU 46 1HG GLU 46 -5.469 3.767 7.956 338 H GLY 47 H GLY 47 -7.356 -0.640 7.751 339 1HA GLY 47 2HA GLY 47 -6.525 -0.571 5.013 340 2HA GLY 47 1HA GLY 47 -7.319 -1.943 5.790 341 H SER 48 H SER 48 -9.679 -0.374 6.555 342 HA SER 48 HA SER 48 -11.123 -0.573 4.006 343 1HB SER 48 2HB SER 48 -13.079 -0.469 5.289 344 2HB SER 48 1HB SER 48 -11.951 -1.214 6.419 345 HG SER 48 HG SER 48 -13.039 1.352 6.375 346 H PHE 49 H PHE 49 -9.881 1.913 6.149 347 HA PHE 49 HA PHE 49 -11.313 4.116 4.947 348 1HB PHE 49 2HB PHE 49 -10.156 4.128 7.216 349 2HB PHE 49 1HB PHE 49 -8.627 4.254 6.342 350 HD1 PHE 49 1HD PHE 49 -7.901 6.322 5.421 351 HD2 PHE 49 2HD PHE 49 -11.927 5.910 6.860 352 HE1 PHE 49 1HE PHE 49 -8.239 8.767 5.178 353 HE2 PHE 49 2HE PHE 49 -12.265 8.355 6.616 354 HZ PHE 49 HZ PHE 49 -10.421 9.783 5.776 355 H VAL 50 H VAL 50 -7.978 2.870 4.542 356 HA VAL 50 HA VAL 50 -7.190 4.679 2.504 357 HB VAL 50 HB VAL 50 -6.384 1.768 2.810 358 1HG1 VAL 50 1HG1 VAL 50 -5.220 4.112 1.295 359 2HG1 VAL 50 2HG1 VAL 50 -5.673 2.530 0.664 360 3HG1 VAL 50 3HG1 VAL 50 -4.263 2.689 1.710 361 1HG2 VAL 50 1HG2 VAL 50 -4.646 2.525 4.251 362 2HG2 VAL 50 2HG2 VAL 50 -6.090 3.365 4.815 363 3HG2 VAL 50 3HG2 VAL 50 -4.912 4.213 3.815 364 H SER 51 H SER 51 -8.979 1.627 2.353 365 HA SER 51 HA SER 51 -9.046 1.334 -0.473 366 1HB SER 51 2HB SER 51 -9.851 -0.517 0.743 367 2HB SER 51 1HB SER 51 -10.888 0.482 1.754 368 HG SER 51 HG SER 51 -12.362 0.523 0.218 369 H SER 52 H SER 52 -11.141 3.170 1.737 370 HA SER 52 HA SER 52 -12.948 4.046 -0.353 371 1HB SER 52 2HB SER 52 -13.873 5.516 1.333 372 2HB SER 52 1HB SER 52 -13.513 3.973 2.100 373 HG SER 52 HG SER 52 -11.323 5.239 2.367 374 H LEU 53 H LEU 53 -9.857 5.110 0.817 375 HA LEU 53 HA LEU 53 -10.071 7.812 -0.266 376 1HB LEU 53 2HB LEU 53 -8.547 7.650 1.520 377 2HB LEU 53 1HB LEU 53 -7.873 6.137 0.929 378 HG LEU 53 HG LEU 53 -6.886 7.385 -1.010 379 1HD1 LEU 53 1HD1 LEU 53 -7.861 9.790 0.574 380 2HD1 LEU 53 2HD1 LEU 53 -8.448 9.297 -1.013 381 3HD1 LEU 53 3HD1 LEU 53 -6.789 9.863 -0.824 382 1HD2 LEU 53 1HD2 LEU 53 -5.596 6.911 1.070 383 2HD2 LEU 53 2HD2 LEU 53 -6.115 8.467 1.719 384 3HD2 LEU 53 3HD2 LEU 53 -5.083 8.408 0.290 385 H VAL 54 H VAL 54 -9.145 4.667 -1.432 386 HA VAL 54 HA VAL 54 -8.269 5.923 -4.006 387 HB VAL 54 HB VAL 54 -6.781 4.030 -4.337 388 1HG1 VAL 54 1HG1 VAL 54 -6.202 6.037 -2.787 389 2HG1 VAL 54 2HG1 VAL 54 -5.159 4.616 -2.728 390 3HG1 VAL 54 3HG1 VAL 54 -6.367 4.876 -1.471 391 1HG2 VAL 54 1HG2 VAL 54 -8.167 3.008 -1.862 392 2HG2 VAL 54 2HG2 VAL 54 -6.530 2.478 -2.243 393 3HG2 VAL 54 3HG2 VAL 54 -7.843 2.163 -3.375 394 H LYS 55 H LYS 55 -10.961 4.783 -2.898 395 HA LYS 55 HA LYS 55 -11.523 2.475 -4.556 396 1HB LYS 55 2HB LYS 55 -12.836 3.123 -2.500 397 2HB LYS 55 1HB LYS 55 -13.514 4.463 -3.425 398 1HG LYS 55 2HG LYS 55 -14.330 2.808 -5.121 399 2HG LYS 55 1HG LYS 55 -13.771 1.511 -4.064 400 1HD LYS 55 2HD LYS 55 -15.790 3.639 -3.285 401 2HD LYS 55 1HD LYS 55 -16.194 1.989 -3.757 402 1HE LYS 55 2HE LYS 55 -14.502 1.320 -1.859 403 2HE LYS 55 1HE LYS 55 -14.805 2.957 -1.273 404 1HZ LYS 55 1HZ LYS 55 -16.609 0.669 -1.418 405 2HZ LYS 55 2HZ LYS 55 -17.281 2.201 -1.714 406 3HZ LYS 55 3HZ LYS 55 -16.492 1.887 -0.242 407 H SER 56 H SER 56 -11.623 5.935 -5.027 408 HA SER 56 HA SER 56 -12.986 5.617 -7.652 409 1HB SER 56 2HB SER 56 -13.134 8.050 -7.656 410 2HB SER 56 1HB SER 56 -13.695 7.457 -6.096 411 HG SER 56 HG SER 56 -11.122 7.749 -5.839 412 H ILE 57 H ILE 57 -10.374 4.523 -7.273 413 HA ILE 57 HA ILE 57 -8.219 6.118 -8.050 414 HB ILE 57 HB ILE 57 -7.613 3.974 -7.423 415 1HG1 ILE 57 2HG1 ILE 57 -6.679 2.796 -9.312 416 2HG1 ILE 57 1HG1 ILE 57 -7.839 3.536 -10.410 417 1HG2 ILE 57 1HG2 ILE 57 -8.816 1.935 -8.463 418 2HG2 ILE 57 2HG2 ILE 57 -10.022 3.100 -9.006 419 3HG2 ILE 57 3HG2 ILE 57 -9.704 2.901 -7.287 420 1HD1 ILE 57 1HD1 ILE 57 -6.268 5.492 -8.870 421 2HD1 ILE 57 2HD1 ILE 57 -6.606 5.439 -10.597 422 3HD1 ILE 57 3HD1 ILE 57 -5.292 4.481 -9.924 423 H GLY 58 H GLY 58 -10.208 4.101 -10.260 424 1HA GLY 58 2HA GLY 58 -11.031 5.678 -12.225 425 2HA GLY 58 1HA GLY 58 -9.297 5.817 -12.513 426 H ASN 59 H ASN 59 -11.230 4.663 -14.338 427 HA ASN 59 HA ASN 59 -11.250 1.830 -14.262 428 1HB ASN 59 2HB ASN 59 -11.226 3.508 -16.776 429 2HB ASN 59 1HB ASN 59 -11.969 1.925 -16.545 430 1HD2 ASN 59 1HD2 ASN 59 -12.755 5.156 -16.737 431 2HD2 ASN 59 2HD2 ASN 59 -14.178 5.153 -15.811 432 H SER 60 H SER 60 -9.044 4.078 -15.954 433 HA SER 60 HA SER 60 -7.366 1.995 -17.022 434 1HB SER 60 2HB SER 60 -7.185 4.092 -18.100 435 2HB SER 60 1HB SER 60 -7.004 4.957 -16.577 436 HG SER 60 HG SER 60 -5.035 4.556 -17.866 437 H TYR 61 H TYR 61 -7.967 2.108 -14.006 438 HA TYR 61 HA TYR 61 -5.303 1.268 -13.153 439 1HB TYR 61 2HB TYR 61 -6.580 3.767 -12.068 440 2HB TYR 61 1HB TYR 61 -5.320 2.882 -11.209 441 HD1 TYR 61 1HD TYR 61 -5.911 5.519 -13.436 442 HD2 TYR 61 2HD TYR 61 -3.225 2.231 -12.777 443 HE1 TYR 61 1HE TYR 61 -4.187 6.648 -14.818 444 HE2 TYR 61 2HE TYR 61 -1.503 3.359 -14.158 445 HH TYR 61 HH TYR 61 -1.968 6.645 -15.350 446 H SER 62 H SER 62 -5.737 -0.529 -11.981 447 HA SER 62 HA SER 62 -8.278 -0.598 -10.386 448 1HB SER 62 2HB SER 62 -7.712 -3.205 -10.672 449 2HB SER 62 1HB SER 62 -8.631 -2.315 -11.882 450 HG SER 62 HG SER 62 -7.059 -2.691 -13.208 451 H TYR 63 H TYR 63 -4.814 -1.327 -10.389 452 HA TYR 63 HA TYR 63 -5.064 -2.141 -7.533 453 1HB TYR 63 2HB TYR 63 -2.932 -2.567 -9.614 454 2HB TYR 63 1HB TYR 63 -2.618 -2.838 -7.900 455 HD1 TYR 63 1HD TYR 63 -5.237 -3.639 -10.472 456 HD2 TYR 63 2HD TYR 63 -2.995 -4.983 -7.064 457 HE1 TYR 63 1HE TYR 63 -6.331 -5.856 -10.624 458 HE2 TYR 63 2HE TYR 63 -4.089 -7.203 -7.222 459 HH TYR 63 HH TYR 63 -5.204 -8.569 -9.141 460 H VAL 64 H VAL 64 -3.330 -1.351 -6.055 461 HA VAL 64 HA VAL 64 -2.202 1.307 -6.789 462 HB VAL 64 HB VAL 64 -3.982 0.750 -4.389 463 1HG1 VAL 64 1HG1 VAL 64 -1.974 2.357 -4.088 464 2HG1 VAL 64 2HG1 VAL 64 -3.572 2.928 -3.617 465 3HG1 VAL 64 3HG1 VAL 64 -2.874 3.439 -5.151 466 1HG2 VAL 64 1HG2 VAL 64 -4.333 2.370 -6.915 467 2HG2 VAL 64 2HG2 VAL 64 -5.349 2.600 -5.491 468 3HG2 VAL 64 3HG2 VAL 64 -5.342 1.048 -6.327 469 H TRP 65 H TRP 65 -0.208 1.670 -5.768 470 HA TRP 65 HA TRP 65 1.012 -0.618 -4.443 471 1HB TRP 65 2HB TRP 65 1.900 2.011 -5.458 472 2HB TRP 65 1HB TRP 65 2.811 1.412 -4.083 473 HD1 TRP 65 HD TRP 65 3.635 1.712 -7.264 474 HE1 TRP 65 1HE TRP 65 4.800 -0.299 -8.362 475 HE3 TRP 65 3HE TRP 65 2.234 -2.008 -4.032 476 HZ2 TRP 65 2HZ TRP 65 5.068 -3.097 -7.955 477 HZ3 TRP 65 3HZ TRP 65 2.961 -4.334 -4.432 478 HH2 TRP 65 HH TRP 65 4.382 -4.886 -6.383 479 H ILE 66 H ILE 66 1.769 -0.707 -2.256 480 HA ILE 66 HA ILE 66 0.968 1.560 -0.494 481 HB ILE 66 HB ILE 66 0.132 -0.084 1.212 482 1HG1 ILE 66 2HG1 ILE 66 0.312 -2.002 -1.126 483 2HG1 ILE 66 1HG1 ILE 66 1.223 -2.107 0.379 484 1HG2 ILE 66 1HG2 ILE 66 -1.412 -0.318 -1.375 485 2HG2 ILE 66 2HG2 ILE 66 -1.332 1.187 -0.461 486 3HG2 ILE 66 3HG2 ILE 66 -2.052 -0.250 0.266 487 1HD1 ILE 66 1HD1 ILE 66 -1.036 -2.179 1.579 488 2HD1 ILE 66 2HD1 ILE 66 -0.621 -3.611 0.638 489 3HD1 ILE 66 3HD1 ILE 66 -1.761 -2.431 -0.008 490 H GLY 67 H GLY 67 2.034 1.131 1.766 491 1HA GLY 67 2HA GLY 67 4.834 0.503 1.253 492 2HA GLY 67 1HA GLY 67 4.175 1.166 2.749 493 H LEU 68 H LEU 68 3.783 -1.842 0.863 494 HA LEU 68 HA LEU 68 4.355 -3.338 3.389 495 1HB LEU 68 2HB LEU 68 1.861 -3.272 2.568 496 2HB LEU 68 1HB LEU 68 2.421 -4.406 1.353 497 HG LEU 68 HG LEU 68 1.755 -5.878 3.025 498 1HD1 LEU 68 1HD1 LEU 68 4.185 -6.256 2.584 499 2HD1 LEU 68 2HD1 LEU 68 3.686 -6.757 4.192 500 3HD1 LEU 68 3HD1 LEU 68 4.561 -5.252 3.984 501 1HD2 LEU 68 1HD2 LEU 68 2.667 -3.749 4.956 502 2HD2 LEU 68 2HD2 LEU 68 2.215 -5.372 5.480 503 3HD2 LEU 68 3HD2 LEU 68 1.033 -4.344 4.672 504 H HIS 69 H HIS 69 5.992 -4.796 3.103 505 HA HIS 69 HA HIS 69 6.453 -5.900 0.382 506 1HB HIS 69 2HB HIS 69 8.807 -5.401 0.434 507 2HB HIS 69 1HB HIS 69 7.942 -3.894 0.742 508 HD1 HIS 69 1HD HIS 69 10.539 -6.013 2.147 509 HD2 HIS 69 2HD HIS 69 7.695 -3.394 3.676 510 HE1 HIS 69 1HE HIS 69 11.259 -5.478 4.515 511 H ASP 70 H ASP 70 8.453 -7.480 0.668 512 HA ASP 70 HA ASP 70 7.646 -9.363 2.814 513 1HB ASP 70 2HB ASP 70 9.351 -9.727 0.338 514 2HB ASP 70 1HB ASP 70 9.003 -11.005 1.502 515 HA PRO 71 HA PRO 71 11.381 -7.767 4.858 516 1HB PRO 71 2HB PRO 71 10.977 -9.678 6.969 517 2HB PRO 71 1HB PRO 71 10.670 -7.941 6.997 518 1HG PRO 71 2HG PRO 71 8.751 -10.057 6.965 519 2HG PRO 71 1HG PRO 71 8.447 -8.325 6.966 520 1HD PRO 71 2HD PRO 71 8.093 -10.190 4.789 521 2HD PRO 71 1HD PRO 71 7.739 -8.442 4.810 522 H THR 72 H THR 72 10.673 -10.918 3.720 523 HA THR 72 HA THR 72 13.418 -11.906 4.343 524 HB THR 72 HB THR 72 12.604 -14.066 4.078 525 HG1 THR 72 1HG THR 72 10.370 -13.143 2.628 526 1HG2 THR 72 1HG2 THR 72 11.299 -12.671 5.827 527 2HG2 THR 72 2HG2 THR 72 10.622 -14.226 5.344 528 3HG2 THR 72 3HG2 THR 72 9.968 -12.733 4.672 529 H GLN 73 H GLN 73 11.699 -10.382 1.858 530 HA GLN 73 HA GLN 73 12.180 -10.032 -0.412 531 1HB GLN 73 2HB GLN 73 14.901 -10.757 0.697 532 2HB GLN 73 1HB GLN 73 14.660 -10.254 -0.976 533 1HG GLN 73 2HG GLN 73 13.712 -8.620 1.391 534 2HG GLN 73 1HG GLN 73 15.283 -8.382 0.625 535 1HE2 GLN 73 1HE2 GLN 73 11.884 -7.710 0.350 536 2HE2 GLN 73 2HE2 GLN 73 11.951 -6.911 -1.146 537 H GLY 74 H GLY 74 10.835 -11.937 -0.949 538 1HA GLY 74 2HA GLY 74 10.488 -14.068 -1.896 539 2HA GLY 74 1HA GLY 74 11.929 -13.663 -2.829 540 H THR 75 H THR 75 11.823 -14.095 0.675 541 HA THR 75 HA THR 75 13.297 -16.673 0.383 542 HB THR 75 HB THR 75 14.177 -14.693 2.463 543 HG1 THR 75 1HG THR 75 14.410 -13.427 0.724 544 1HG2 THR 75 1HG2 THR 75 15.608 -16.799 0.820 545 2HG2 THR 75 2HG2 THR 75 15.044 -16.999 2.480 546 3HG2 THR 75 3HG2 THR 75 16.327 -15.844 2.117 547 H GLU 76 H GLU 76 10.655 -16.640 0.992 548 HA GLU 76 HA GLU 76 10.611 -17.161 3.942 549 1HB GLU 76 2HB GLU 76 8.024 -16.610 3.490 550 2HB GLU 76 1HB GLU 76 9.187 -15.345 3.883 551 1HG GLU 76 2HG GLU 76 7.754 -14.818 1.883 552 2HG GLU 76 1HG GLU 76 9.484 -14.797 1.545 553 HA PRO 77 HA PRO 77 9.518 -20.993 1.517 554 1HB PRO 77 2HB PRO 77 10.737 -22.493 3.655 555 2HB PRO 77 1HB PRO 77 11.293 -22.314 1.989 556 1HG PRO 77 2HG PRO 77 12.463 -21.191 4.335 557 2HG PRO 77 1HG PRO 77 12.961 -20.943 2.659 558 1HD PRO 77 2HD PRO 77 11.622 -19.075 4.435 559 2HD PRO 77 1HD PRO 77 12.233 -18.787 2.787 560 H ASN 78 H ASN 78 8.076 -19.403 3.743 561 HA ASN 78 HA ASN 78 6.242 -21.600 4.493 562 1HB ASN 78 2HB ASN 78 7.609 -19.776 6.494 563 2HB ASN 78 1HB ASN 78 6.199 -20.765 6.872 564 1HD2 ASN 78 1HD2 ASN 78 9.145 -20.939 7.785 565 2HD2 ASN 78 2HD2 ASN 78 9.569 -22.553 7.480 566 H GLY 79 H GLY 79 6.978 -18.129 4.483 567 1HA GLY 79 2HA GLY 79 5.492 -16.440 3.649 568 2HA GLY 79 1HA GLY 79 4.159 -17.590 3.757 569 H GLU 80 H GLU 80 6.445 -15.831 5.880 570 HA GLU 80 HA GLU 80 4.194 -15.075 7.623 571 1HB GLU 80 2HB GLU 80 6.443 -16.890 8.520 572 2HB GLU 80 1HB GLU 80 5.473 -15.952 9.654 573 1HG GLU 80 2HG GLU 80 3.418 -17.018 8.593 574 2HG GLU 80 1HG GLU 80 4.524 -18.111 7.760 575 H GLY 81 H GLY 81 5.384 -13.170 6.302 576 1HA GLY 81 2HA GLY 81 7.234 -11.909 8.275 577 2HA GLY 81 1HA GLY 81 7.678 -11.935 6.567 578 H TRP 82 H TRP 82 6.381 -10.737 5.073 579 HA TRP 82 HA TRP 82 5.379 -8.684 4.473 580 1HB TRP 82 2HB TRP 82 3.380 -10.018 6.306 581 2HB TRP 82 1HB TRP 82 3.001 -8.556 5.399 582 HD1 TRP 82 HD TRP 82 4.702 -11.928 4.512 583 HE1 TRP 82 1HE TRP 82 3.720 -12.750 2.276 584 HE3 TRP 82 3HE TRP 82 1.412 -8.143 3.550 585 HZ2 TRP 82 2HZ TRP 82 1.793 -11.915 0.335 586 HZ3 TRP 82 3HZ TRP 82 0.017 -8.181 1.502 587 HH2 TRP 82 HH TRP 82 0.203 -10.060 -0.106 588 H GLU 83 H GLU 83 6.464 -6.882 5.256 589 HA GLU 83 HA GLU 83 5.601 -5.897 7.954 590 1HB GLU 83 2HB GLU 83 8.360 -6.146 6.806 591 2HB GLU 83 1HB GLU 83 8.008 -4.748 7.818 592 1HG GLU 83 2HG GLU 83 7.527 -6.065 9.704 593 2HG GLU 83 1HG GLU 83 7.263 -7.519 8.742 594 H TRP 84 H TRP 84 5.094 -3.697 8.005 595 HA TRP 84 HA TRP 84 4.637 -2.434 5.434 596 1HB TRP 84 2HB TRP 84 4.375 -0.828 7.910 597 2HB TRP 84 1HB TRP 84 3.232 -1.033 6.581 598 HD1 TRP 84 HD TRP 84 4.533 -2.876 9.693 599 HE1 TRP 84 1HE TRP 84 2.723 -4.529 10.478 600 HE3 TRP 84 3HE TRP 84 1.128 -2.297 5.944 601 HZ2 TRP 84 2HZ TRP 84 0.167 -5.486 9.627 602 HZ3 TRP 84 3HZ TRP 84 -0.985 -3.593 5.952 603 HH2 TRP 84 HH TRP 84 -1.470 -5.183 7.789 604 H SER 85 H SER 85 5.904 -0.888 4.488 605 HA SER 85 HA SER 85 8.486 -0.320 5.756 606 1HB SER 85 2HB SER 85 7.334 0.567 3.095 607 2HB SER 85 1HB SER 85 8.984 0.875 3.628 608 HG SER 85 HG SER 85 8.779 -1.014 2.313 609 H SER 86 H SER 86 5.494 0.892 6.131 610 HA SER 86 HA SER 86 6.574 3.540 6.937 611 1HB SER 86 2HB SER 86 5.166 4.755 5.604 612 2HB SER 86 1HB SER 86 5.176 3.301 4.610 613 HG SER 86 HG SER 86 3.313 3.985 6.643 614 H SER 87 H SER 87 5.199 0.806 8.034 615 HA SER 87 HA SER 87 3.424 2.356 9.912 616 1HB SER 87 2HB SER 87 2.519 0.430 8.235 617 2HB SER 87 1HB SER 87 2.916 -0.546 9.648 618 HG SER 87 HG SER 87 1.774 1.437 10.706 619 H ASP 88 H ASP 88 5.311 -0.696 9.744 620 HA ASP 88 HA ASP 88 7.143 -0.455 11.705 621 1HB ASP 88 2HB ASP 88 4.434 -0.444 12.997 622 2HB ASP 88 1HB ASP 88 5.719 -1.339 13.800 623 H VAL 89 H VAL 89 4.952 -2.675 13.085 624 HA VAL 89 HA VAL 89 6.245 -4.910 11.571 625 HB VAL 89 HB VAL 89 6.802 -4.794 13.996 626 1HG1 VAL 89 1HG1 VAL 89 5.120 -5.025 15.671 627 2HG1 VAL 89 2HG1 VAL 89 3.883 -5.418 14.477 628 3HG1 VAL 89 3HG1 VAL 89 4.524 -3.778 14.575 629 1HG2 VAL 89 1HG2 VAL 89 6.428 -7.115 14.428 630 2HG2 VAL 89 2HG2 VAL 89 6.532 -6.974 12.673 631 3HG2 VAL 89 3HG2 VAL 89 4.958 -7.132 13.453 632 H MET 90 H MET 90 4.871 -6.848 11.294 633 HA MET 90 HA MET 90 2.323 -6.209 10.174 634 1HB MET 90 2HB MET 90 3.878 -8.238 9.723 635 2HB MET 90 1HB MET 90 3.073 -8.974 11.108 636 1HG MET 90 2HG MET 90 0.865 -8.382 9.943 637 2HG MET 90 1HG MET 90 1.837 -8.063 8.506 638 1HE MET 90 1HE MET 90 -0.538 -10.126 9.255 639 2HE MET 90 2HE MET 90 -0.118 -11.607 8.397 640 3HE MET 90 3HE MET 90 -0.003 -10.056 7.570 641 H ASN 91 H ASN 91 1.152 -5.087 11.887 642 HA ASN 91 HA ASN 91 0.309 -6.852 14.151 643 1HB ASN 91 2HB ASN 91 1.156 -4.248 14.242 644 2HB ASN 91 1HB ASN 91 -0.588 -4.024 14.119 645 1HD2 ASN 91 1HD2 ASN 91 1.615 -6.284 15.892 646 2HD2 ASN 91 2HD2 ASN 91 0.799 -6.139 17.373 647 H TYR 92 H TYR 92 -0.593 -6.049 11.103 648 HA TYR 92 HA TYR 92 -3.444 -6.619 11.702 649 1HB TYR 92 2HB TYR 92 -3.321 -4.217 11.298 650 2HB TYR 92 1HB TYR 92 -2.428 -4.492 9.804 651 HD1 TYR 92 1HD TYR 92 -5.529 -5.974 11.347 652 HD2 TYR 92 2HD TYR 92 -3.729 -4.113 7.915 653 HE1 TYR 92 1HE TYR 92 -7.659 -6.208 10.102 654 HE2 TYR 92 2HE TYR 92 -5.862 -4.347 6.674 655 HH TYR 92 HH TYR 92 -8.804 -5.352 8.246 656 H PHE 93 H PHE 93 -4.558 -7.660 9.865 657 HA PHE 93 HA PHE 93 -2.711 -8.716 7.762 658 1HB PHE 93 2HB PHE 93 -3.919 -10.936 8.033 659 2HB PHE 93 1HB PHE 93 -2.844 -10.500 9.362 660 HD1 PHE 93 1HD PHE 93 -6.372 -10.733 8.278 661 HD2 PHE 93 2HD PHE 93 -3.706 -9.921 11.546 662 HE1 PHE 93 1HE PHE 93 -8.276 -10.856 9.862 663 HE2 PHE 93 2HE PHE 93 -5.611 -10.044 13.130 664 HZ PHE 93 HZ PHE 93 -7.896 -10.512 12.288 665 H ALA 94 H ALA 94 -3.696 -9.060 5.748 666 HA ALA 94 HA ALA 94 -6.538 -9.122 5.338 667 1HB ALA 94 1HB ALA 94 -7.112 -6.952 4.926 668 2HB ALA 94 2HB ALA 94 -5.562 -6.583 4.170 669 3HB ALA 94 3HB ALA 94 -5.707 -6.583 5.925 670 H TRP 95 H TRP 95 -3.854 -10.237 4.418 671 HA TRP 95 HA TRP 95 -3.510 -9.500 1.655 672 1HB TRP 95 2HB TRP 95 -2.357 -11.849 1.616 673 2HB TRP 95 1HB TRP 95 -1.640 -10.566 2.591 674 HD1 TRP 95 HD TRP 95 -1.464 -10.942 5.128 675 HE1 TRP 95 1HE TRP 95 -2.200 -12.820 6.735 676 HE3 TRP 95 3HE TRP 95 -4.350 -13.732 1.968 677 HZ2 TRP 95 2HZ TRP 95 -3.801 -15.189 6.688 678 HZ3 TRP 95 3HZ TRP 95 -5.468 -15.791 2.774 679 HH2 TRP 95 HH TRP 95 -5.198 -16.523 5.128 680 H GLU 96 H GLU 96 -4.095 -10.805 -0.215 681 HA GLU 96 HA GLU 96 -6.795 -11.910 0.011 682 1HB GLU 96 2HB GLU 96 -5.875 -10.535 -1.954 683 2HB GLU 96 1HB GLU 96 -5.011 -11.998 -2.429 684 1HG GLU 96 2HG GLU 96 -7.172 -13.230 -2.471 685 2HG GLU 96 1HG GLU 96 -8.012 -11.728 -2.085 686 H ARG 97 H ARG 97 -3.522 -13.147 -0.532 687 HA ARG 97 HA ARG 97 -4.451 -15.837 0.239 688 1HB ARG 97 2HB ARG 97 -4.554 -15.401 -2.383 689 2HB ARG 97 1HB ARG 97 -2.818 -15.685 -2.277 690 1HG ARG 97 2HG ARG 97 -3.356 -17.819 -1.010 691 2HG ARG 97 1HG ARG 97 -5.045 -17.561 -1.447 692 1HD ARG 97 2HD ARG 97 -4.156 -17.354 -3.882 693 2HD ARG 97 1HD ARG 97 -2.702 -18.132 -3.254 694 HE ARG 97 HE ARG 97 -3.940 -20.147 -2.990 695 1HH1 ARG 97 1HH1 ARG 97 -5.520 -18.188 -5.098 696 2HH1 ARG 97 2HH1 ARG 97 -7.113 -18.802 -4.806 697 1HH2 ARG 97 1HH2 ARG 97 -6.183 -20.632 -2.009 698 2HH2 ARG 97 2HH2 ARG 97 -7.488 -20.185 -3.056 699 H ASN 98 H ASN 98 -2.743 -17.085 1.114 700 HA ASN 98 HA ASN 98 -0.439 -15.573 1.997 701 1HB ASN 98 2HB ASN 98 -1.068 -18.530 2.208 702 2HB ASN 98 1HB ASN 98 0.258 -17.721 3.045 703 1HD2 ASN 98 1HD2 ASN 98 -1.097 -18.616 4.994 704 2HD2 ASN 98 2HD2 ASN 98 -2.310 -17.592 5.599 705 HA PRO 99 HA PRO 99 2.231 -16.345 -1.483 706 1HB PRO 99 2HB PRO 99 4.574 -16.588 0.172 707 2HB PRO 99 1HB PRO 99 4.055 -15.201 -0.789 708 1HG PRO 99 2HG PRO 99 3.992 -15.510 2.076 709 2HG PRO 99 1HG PRO 99 3.563 -14.091 1.115 710 1HD PRO 99 2HD PRO 99 1.780 -15.806 2.550 711 2HD PRO 99 1HD PRO 99 1.344 -14.468 1.456 712 H SER 100 H SER 100 1.921 -18.507 1.181 713 HA SER 100 HA SER 100 3.736 -20.564 0.327 714 1HB SER 100 2HB SER 100 2.493 -22.013 1.857 715 2HB SER 100 1HB SER 100 2.755 -20.443 2.610 716 HG SER 100 HG SER 100 0.650 -19.880 2.076 717 H THR 101 H THR 101 0.708 -19.498 -0.899 718 HA THR 101 HA THR 101 0.555 -21.960 -2.602 719 HB THR 101 HB THR 101 -1.325 -22.149 -1.175 720 HG1 THR 101 1HG THR 101 -1.663 -21.867 -3.624 721 1HG2 THR 101 1HG2 THR 101 -1.509 -19.156 -1.501 722 2HG2 THR 101 2HG2 THR 101 -1.345 -20.090 -0.013 723 3HG2 THR 101 3HG2 THR 101 -2.870 -20.103 -0.899 724 H ILE 102 H ILE 102 1.944 -19.486 -3.217 725 HA ILE 102 HA ILE 102 0.294 -18.603 -5.553 726 HB ILE 102 HB ILE 102 2.094 -16.860 -3.845 727 1HG1 ILE 102 2HG1 ILE 102 -0.926 -16.910 -4.166 728 2HG1 ILE 102 1HG1 ILE 102 -0.040 -17.443 -2.738 729 1HG2 ILE 102 1HG2 ILE 102 2.071 -16.235 -6.241 730 2HG2 ILE 102 2HG2 ILE 102 1.236 -15.030 -5.263 731 3HG2 ILE 102 3HG2 ILE 102 0.310 -16.193 -6.209 732 1HD1 ILE 102 1HD1 ILE 102 1.005 -14.990 -2.922 733 2HD1 ILE 102 2HD1 ILE 102 -0.524 -15.279 -2.091 734 3HD1 ILE 102 3HD1 ILE 102 -0.521 -14.672 -3.746 735 H SER 103 H SER 103 1.380 -18.721 -7.478 736 HA SER 103 HA SER 103 3.914 -20.013 -7.668 737 1HB SER 103 2HB SER 103 3.849 -19.349 -10.046 738 2HB SER 103 1HB SER 103 2.285 -19.966 -9.524 739 HG SER 103 HG SER 103 2.332 -17.379 -9.002 740 H SER 104 H SER 104 5.667 -19.064 -6.692 741 HA SER 104 HA SER 104 7.239 -17.405 -6.116 742 1HB SER 104 2HB SER 104 7.865 -17.786 -8.447 743 2HB SER 104 1HB SER 104 6.618 -16.667 -8.991 744 HG SER 104 HG SER 104 7.742 -14.995 -8.126 745 HA PRO 105 HA PRO 105 3.977 -14.230 -5.278 746 1HB PRO 105 2HB PRO 105 5.112 -13.969 -2.644 747 2HB PRO 105 1HB PRO 105 3.557 -14.669 -3.096 748 1HG PRO 105 2HG PRO 105 5.812 -16.060 -2.102 749 2HG PRO 105 1HG PRO 105 4.333 -16.771 -2.760 750 1HD PRO 105 2HD PRO 105 7.002 -16.604 -3.983 751 2HD PRO 105 1HD PRO 105 5.604 -17.593 -4.473 752 H GLY 106 H GLY 106 4.393 -12.124 -5.855 753 1HA GLY 106 2HA GLY 106 6.965 -11.057 -6.283 754 2HA GLY 106 1HA GLY 106 5.519 -10.070 -6.051 755 H HIS 107 H HIS 107 8.138 -9.400 -5.026 756 HA HIS 107 HA HIS 107 7.962 -9.970 -2.121 757 1HB HIS 107 2HB HIS 107 10.009 -8.090 -3.228 758 2HB HIS 107 1HB HIS 107 10.178 -9.330 -1.984 759 HD1 HIS 107 1HD HIS 107 10.262 -11.863 -2.870 760 HD2 HIS 107 2HD HIS 107 10.696 -8.942 -5.796 761 HE1 HIS 107 1HE HIS 107 11.186 -13.012 -4.925 762 H CYS 108 H CYS 108 5.920 -8.322 -3.472 763 HA CYS 108 HA CYS 108 6.068 -5.999 -1.660 764 1HB CYS 108 2HB CYS 108 5.175 -4.989 -4.186 765 2HB CYS 108 1HB CYS 108 6.580 -4.483 -3.250 766 H ALA 109 H ALA 109 3.896 -4.784 -1.743 767 HA ALA 109 HA ALA 109 1.697 -6.607 -2.621 768 1HB ALA 109 1HB ALA 109 0.960 -6.956 -0.523 769 2HB ALA 109 2HB ALA 109 1.020 -5.235 -0.151 770 3HB ALA 109 3HB ALA 109 2.461 -6.233 0.049 771 H SER 110 H SER 110 -0.141 -5.622 -3.307 772 HA SER 110 HA SER 110 -0.356 -2.658 -3.184 773 1HB SER 110 2HB SER 110 -1.190 -3.727 -5.775 774 2HB SER 110 1HB SER 110 -0.105 -2.385 -5.425 775 HG SER 110 HG SER 110 0.437 -5.100 -5.813 776 H LEU 111 H LEU 111 -2.642 -1.991 -3.809 777 HA LEU 111 HA LEU 111 -4.553 -3.912 -2.652 778 1HB LEU 111 2HB LEU 111 -4.892 -1.081 -3.685 779 2HB LEU 111 1HB LEU 111 -6.177 -2.020 -2.944 780 HG LEU 111 HG LEU 111 -3.731 -1.969 -1.313 781 1HD1 LEU 111 1HD1 LEU 111 -3.467 0.277 -2.181 782 2HD1 LEU 111 2HD1 LEU 111 -4.133 0.401 -0.554 783 3HD1 LEU 111 3HD1 LEU 111 -5.182 0.615 -1.955 784 1HD2 LEU 111 1HD2 LEU 111 -5.320 -1.561 0.454 785 2HD2 LEU 111 2HD2 LEU 111 -6.053 -2.732 -0.642 786 3HD2 LEU 111 3HD2 LEU 111 -6.549 -1.040 -0.699 787 H SER 112 H SER 112 -6.392 -4.694 -3.823 788 HA SER 112 HA SER 112 -6.093 -4.575 -6.808 789 1HB SER 112 2HB SER 112 -6.890 -6.821 -6.917 790 2HB SER 112 1HB SER 112 -5.706 -6.810 -5.613 791 HG SER 112 HG SER 112 -8.535 -6.743 -5.442 792 H ARG 113 H ARG 113 -7.697 -3.324 -7.681 793 HA ARG 113 HA ARG 113 -10.006 -2.426 -6.328 794 1HB ARG 113 2HB ARG 113 -9.351 -1.349 -8.380 795 2HB ARG 113 1HB ARG 113 -9.515 -2.850 -9.289 796 1HG ARG 113 2HG ARG 113 -11.957 -2.025 -7.827 797 2HG ARG 113 1HG ARG 113 -11.469 -0.930 -9.118 798 1HD ARG 113 2HD ARG 113 -11.655 -2.592 -10.772 799 2HD ARG 113 1HD ARG 113 -11.585 -3.903 -9.597 800 HE ARG 113 HE ARG 113 -13.901 -3.545 -9.103 801 1HH1 ARG 113 1HH1 ARG 113 -12.792 -0.604 -10.297 802 2HH1 ARG 113 2HH1 ARG 113 -14.220 -0.236 -11.204 803 1HH2 ARG 113 1HH2 ARG 113 -15.667 -3.345 -10.697 804 2HH2 ARG 113 2HH2 ARG 113 -15.848 -1.787 -11.430 805 H SER 114 H SER 114 -9.457 -5.421 -8.101 806 HA SER 114 HA SER 114 -12.132 -6.296 -8.393 807 1HB SER 114 2HB SER 114 -10.572 -7.669 -9.461 808 2HB SER 114 1HB SER 114 -9.499 -7.707 -8.064 809 HG SER 114 HG SER 114 -11.073 -9.574 -8.667 810 H THR 115 H THR 115 -10.012 -6.318 -5.573 811 HA THR 115 HA THR 115 -12.085 -7.745 -3.989 812 HB THR 115 HB THR 115 -10.377 -7.883 -2.248 813 HG1 THR 115 1HG THR 115 -9.423 -5.770 -3.535 814 1HG2 THR 115 1HG2 THR 115 -10.225 -9.609 -3.915 815 2HG2 THR 115 2HG2 THR 115 -8.580 -9.075 -3.571 816 3HG2 THR 115 3HG2 THR 115 -9.395 -8.530 -5.037 817 H ALA 116 H ALA 116 -12.304 -4.908 -5.002 818 HA ALA 116 HA ALA 116 -13.103 -2.861 -4.182 819 1HB ALA 116 1HB ALA 116 -14.526 -4.592 -2.861 820 2HB ALA 116 2HB ALA 116 -14.457 -2.939 -2.252 821 3HB ALA 116 3HB ALA 116 -13.474 -4.196 -1.501 822 H PHE 117 H PHE 117 -10.242 -3.704 -3.834 823 HA PHE 117 HA PHE 117 -8.300 -2.827 -2.865 824 1HB PHE 117 2HB PHE 117 -10.060 -0.608 -1.802 825 2HB PHE 117 1HB PHE 117 -8.346 -0.534 -2.203 826 HD1 PHE 117 1HD PHE 117 -11.756 -0.401 -3.499 827 HD2 PHE 117 2HD PHE 117 -7.605 -0.627 -4.579 828 HE1 PHE 117 1HE PHE 117 -12.322 0.272 -5.817 829 HE2 PHE 117 2HE PHE 117 -8.171 0.046 -6.897 830 HZ PHE 117 HZ PHE 117 -10.529 0.496 -7.516 831 H LEU 118 H LEU 118 -10.360 -4.478 -1.285 832 HA LEU 118 HA LEU 118 -9.586 -3.660 1.476 833 1HB LEU 118 2HB LEU 118 -11.704 -5.539 0.404 834 2HB LEU 118 1HB LEU 118 -11.315 -5.414 2.118 835 HG LEU 118 HG LEU 118 -12.166 -3.079 0.379 836 1HD1 LEU 118 1HD1 LEU 118 -13.919 -4.882 0.791 837 2HD1 LEU 118 2HD1 LEU 118 -14.340 -3.266 1.360 838 3HD1 LEU 118 3HD1 LEU 118 -13.791 -4.489 2.507 839 1HD2 LEU 118 1HD2 LEU 118 -11.073 -2.047 2.137 840 2HD2 LEU 118 2HD2 LEU 118 -11.329 -3.402 3.235 841 3HD2 LEU 118 3HD2 LEU 118 -12.646 -2.279 2.898 842 H ARG 119 H ARG 119 -8.058 -5.264 -0.754 843 HA ARG 119 HA ARG 119 -6.961 -7.240 1.159 844 1HB ARG 119 2HB ARG 119 -7.957 -7.958 -1.614 845 2HB ARG 119 1HB ARG 119 -7.004 -9.025 -0.583 846 1HG ARG 119 2HG ARG 119 -8.787 -8.796 1.181 847 2HG ARG 119 1HG ARG 119 -9.763 -7.917 0.003 848 1HD ARG 119 2HD ARG 119 -9.430 -9.945 -1.541 849 2HD ARG 119 1HD ARG 119 -8.853 -10.795 -0.108 850 HE ARG 119 HE ARG 119 -11.293 -9.692 0.662 851 1HH1 ARG 119 1HH2 ARG 119 -10.246 -11.492 -2.074 852 2HH1 ARG 119 2HH2 ARG 119 -11.661 -12.490 -2.131 853 1HH2 ARG 119 1HH1 ARG 119 -13.085 -11.092 0.705 854 2HH2 ARG 119 2HH1 ARG 119 -13.268 -12.263 -0.557 855 H TRP 120 H TRP 120 -4.844 -8.117 0.335 856 HA TRP 120 HA TRP 120 -3.493 -6.085 -1.407 857 1HB TRP 120 2HB TRP 120 -2.197 -7.875 0.665 858 2HB TRP 120 1HB TRP 120 -1.472 -6.498 -0.163 859 HD1 TRP 120 HD TRP 120 -3.603 -4.310 0.139 860 HE1 TRP 120 1HE TRP 120 -4.224 -3.350 2.450 861 HE3 TRP 120 3HE TRP 120 -2.022 -8.131 3.130 862 HZ2 TRP 120 2HZ TRP 120 -4.069 -4.108 5.207 863 HZ3 TRP 120 3HZ TRP 120 -2.269 -7.988 5.589 864 HH2 TRP 120 HH TRP 120 -3.291 -5.987 6.631 865 H LYS 121 H LYS 121 -2.350 -6.815 -3.167 866 HA LYS 121 HA LYS 121 -2.197 -9.780 -3.574 867 1HB LYS 121 2HB LYS 121 -3.787 -8.416 -5.087 868 2HB LYS 121 1HB LYS 121 -2.323 -7.735 -5.795 869 1HG LYS 121 2HG LYS 121 -2.658 -9.555 -7.201 870 2HG LYS 121 1HG LYS 121 -1.605 -10.279 -5.987 871 1HD LYS 121 2HD LYS 121 -3.553 -11.180 -4.798 872 2HD LYS 121 1HD LYS 121 -4.636 -10.405 -5.952 873 1HE LYS 121 2HE LYS 121 -3.947 -11.817 -7.722 874 2HE LYS 121 1HE LYS 121 -2.502 -12.338 -6.856 875 1HZ LYS 121 1HZ LYS 121 -5.298 -12.946 -6.062 876 2HZ LYS 121 2HZ LYS 121 -3.899 -13.468 -5.254 877 3HZ LYS 121 3HZ LYS 121 -4.236 -14.029 -6.822 878 H ASP 122 H ASP 122 -0.286 -10.576 -4.538 879 HA ASP 122 HA ASP 122 2.067 -9.005 -3.909 880 1HB ASP 122 2HB ASP 122 3.321 -10.970 -4.717 881 2HB ASP 122 1HB ASP 122 2.033 -11.460 -3.616 882 H TYR 123 H TYR 123 3.614 -8.180 -5.411 883 HA TYR 123 HA TYR 123 3.103 -8.398 -8.291 884 1HB TYR 123 2HB TYR 123 2.269 -6.034 -6.699 885 2HB TYR 123 1HB TYR 123 3.165 -5.669 -8.173 886 HD1 TYR 123 1HD TYR 123 2.306 -6.359 -10.380 887 HD2 TYR 123 2HD TYR 123 0.067 -7.050 -6.781 888 HE1 TYR 123 1HE TYR 123 0.274 -6.801 -11.730 889 HE2 TYR 123 2HE TYR 123 -1.964 -7.493 -8.131 890 HH TYR 123 HH TYR 123 -2.294 -8.363 -10.724 891 H ASN 124 H ASN 124 4.814 -7.127 -9.527 892 HA ASN 124 HA ASN 124 7.409 -7.579 -8.319 893 1HB ASN 124 2HB ASN 124 6.743 -6.044 -10.851 894 2HB ASN 124 1HB ASN 124 8.309 -6.728 -10.419 895 1HD2 ASN 124 1HD2 ASN 124 8.696 -8.707 -11.407 896 2HD2 ASN 124 2HD2 ASN 124 7.503 -9.832 -11.844 897 H CYS 125 H CYS 125 8.424 -6.207 -6.977 898 HA CYS 125 HA CYS 125 7.446 -3.729 -6.107 899 1HB CYS 125 2HB CYS 125 10.337 -4.630 -6.198 900 2HB CYS 125 1HB CYS 125 9.703 -3.327 -5.196 901 H ASN 126 H ASN 126 8.699 -4.338 -9.185 902 HA ASN 126 HA ASN 126 9.772 -1.577 -9.456 903 1HB ASN 126 2HB ASN 126 9.689 -3.686 -11.625 904 2HB ASN 126 1HB ASN 126 10.760 -2.287 -11.499 905 1HD2 ASN 126 1HD2 ASN 126 12.788 -2.703 -10.603 906 2HD2 ASN 126 2HD2 ASN 126 13.170 -4.057 -9.653 907 H VAL 127 H VAL 127 7.078 -3.590 -10.612 908 HA VAL 127 HA VAL 127 6.124 -1.878 -12.667 909 HB VAL 127 HB VAL 127 4.670 -3.661 -10.691 910 1HG1 VAL 127 1HG1 VAL 127 3.036 -2.001 -11.226 911 2HG1 VAL 127 2HG1 VAL 127 2.701 -3.354 -12.303 912 3HG1 VAL 127 3HG1 VAL 127 3.550 -1.933 -12.911 913 1HG2 VAL 127 1HG2 VAL 127 4.481 -5.159 -12.545 914 2HG2 VAL 127 2HG2 VAL 127 6.145 -4.577 -12.575 915 3HG2 VAL 127 3HG2 VAL 127 4.958 -3.911 -13.694 916 H ARG 128 H ARG 128 5.275 0.223 -12.539 917 HA ARG 128 HA ARG 128 5.136 1.378 -9.843 918 1HB ARG 128 2HB ARG 128 4.513 3.446 -11.439 919 2HB ARG 128 1HB ARG 128 6.175 2.928 -11.197 920 1HG ARG 128 2HG ARG 128 6.050 1.535 -13.226 921 2HG ARG 128 1HG ARG 128 4.377 2.042 -13.471 922 1HD ARG 128 2HD ARG 128 5.464 4.471 -13.321 923 2HD ARG 128 1HD ARG 128 6.909 3.600 -13.829 924 HE ARG 128 HE ARG 128 4.541 4.102 -15.469 925 1HH1 ARG 128 1HH2 ARG 128 5.831 1.152 -15.019 926 2HH1 ARG 128 2HH2 ARG 128 6.582 0.992 -16.573 927 1HH2 ARG 128 1HH1 ARG 128 6.141 4.324 -17.426 928 2HH2 ARG 128 2HH1 ARG 128 6.757 2.787 -17.934 929 H LEU 129 H LEU 129 3.189 2.376 -8.945 930 HA LEU 129 HA LEU 129 0.746 1.886 -10.613 931 1HB LEU 129 2HB LEU 129 1.381 0.647 -7.944 932 2HB LEU 129 1HB LEU 129 -0.289 0.969 -8.374 933 HG LEU 129 HG LEU 129 0.958 -0.306 -10.624 934 1HD1 LEU 129 1HD1 LEU 129 2.635 -1.199 -9.097 935 2HD1 LEU 129 2HD1 LEU 129 1.513 -2.487 -9.532 936 3HD1 LEU 129 3HD1 LEU 129 1.382 -1.697 -7.962 937 1HD2 LEU 129 1HD2 LEU 129 -1.417 -0.390 -10.094 938 2HD2 LEU 129 2HD2 LEU 129 -1.076 -1.210 -8.571 939 3HD2 LEU 129 3HD2 LEU 129 -0.764 -2.028 -10.102 940 HA PRO 130 HA PRO 130 -0.554 5.689 -8.747 941 1HB PRO 130 2HB PRO 130 -3.197 4.756 -8.021 942 2HB PRO 130 1HB PRO 130 -2.754 5.792 -9.381 943 1HG PRO 130 2HG PRO 130 -3.547 3.012 -9.435 944 2HG PRO 130 1HG PRO 130 -3.210 4.083 -10.799 945 1HD PRO 130 2HD PRO 130 -1.608 1.900 -9.904 946 2HD PRO 130 1HD PRO 130 -1.176 3.099 -11.145 947 H TYR 131 H TYR 131 -0.237 6.304 -6.483 948 HA TYR 131 HA TYR 131 -0.793 4.125 -4.500 949 1HB TYR 131 2HB TYR 131 1.407 4.393 -3.523 950 2HB TYR 131 1HB TYR 131 1.585 4.078 -5.248 951 HD1 TYR 131 1HD TYR 131 1.727 6.140 -6.821 952 HD2 TYR 131 2HD TYR 131 2.410 6.306 -2.583 953 HE1 TYR 131 1HE TYR 131 2.957 8.274 -7.103 954 HE2 TYR 131 2HE TYR 131 3.643 8.440 -2.867 955 HH TYR 131 HH TYR 131 3.497 10.394 -4.856 956 H VAL 132 H VAL 132 -0.252 4.952 -2.198 957 HA VAL 132 HA VAL 132 -1.296 7.754 -1.909 958 HB VAL 132 HB VAL 132 -1.765 5.337 -0.132 959 1HG1 VAL 132 1HG1 VAL 132 -3.232 6.916 1.149 960 2HG1 VAL 132 2HG1 VAL 132 -2.602 8.237 0.165 961 3HG1 VAL 132 3HG1 VAL 132 -1.524 7.345 1.235 962 1HG2 VAL 132 1HG2 VAL 132 -3.079 5.648 -2.342 963 2HG2 VAL 132 2HG2 VAL 132 -3.837 7.023 -1.536 964 3HG2 VAL 132 3HG2 VAL 132 -4.011 5.402 -0.866 965 H CYS 133 H CYS 133 -0.403 8.878 0.023 966 HA CYS 133 HA CYS 133 2.100 7.641 1.082 967 1HB CYS 133 2HB CYS 133 2.898 8.969 -0.741 968 2HB CYS 133 1HB CYS 133 1.840 10.312 -0.314 969 H LYS 134 H LYS 134 2.300 7.955 3.261 970 HA LYS 134 HA LYS 134 0.435 9.903 4.550 971 1HB LYS 134 2HB LYS 134 0.653 8.605 6.537 972 2HB LYS 134 1HB LYS 134 0.523 7.430 5.230 973 1HG LYS 134 2HG LYS 134 3.078 7.418 5.168 974 2HG LYS 134 1HG LYS 134 3.026 8.310 6.686 975 1HD LYS 134 2HD LYS 134 1.576 5.684 6.294 976 2HD LYS 134 1HD LYS 134 3.227 5.778 6.906 977 1HE LYS 134 2HE LYS 134 2.344 7.393 8.672 978 2HE LYS 134 1HE LYS 134 0.724 6.924 8.157 979 1HZ LYS 134 1HZ LYS 134 2.543 4.731 8.664 980 2HZ LYS 134 2HZ LYS 134 0.911 4.917 9.102 981 3HZ LYS 134 3HZ LYS 134 2.132 5.646 10.032 982 H PHE 135 H PHE 135 1.286 11.374 6.201 983 HA PHE 135 HA PHE 135 4.101 11.559 6.803 984 1HB PHE 135 2HB PHE 135 4.659 13.565 5.455 985 2HB PHE 135 1HB PHE 135 4.332 12.160 4.442 986 HD1 PHE 135 1HD PHE 135 2.188 11.966 3.205 987 HD2 PHE 135 2HD PHE 135 3.184 15.478 5.469 988 HE1 PHE 135 1HE PHE 135 0.395 13.226 2.041 989 HE2 PHE 135 2HE PHE 135 1.392 16.737 4.306 990 HZ PHE 135 HZ PHE 135 -0.002 15.610 2.592 991 H THR 136 H THR 136 4.015 12.560 8.760 992 HA THR 136 HA THR 136 1.772 14.328 9.426 993 HB THR 136 HB THR 136 4.148 14.092 11.228 994 HG1 THR 136 1HG THR 136 2.847 12.007 11.801 995 1HG2 THR 136 1HG2 THR 136 2.356 13.866 12.914 996 2HG2 THR 136 2HG2 THR 136 1.151 13.863 11.628 997 3HG2 THR 136 3HG2 THR 136 2.123 15.305 11.923 998 H ASP 137 H ASP 137 2.429 16.475 10.611 999 HA ASP 137 HA ASP 137 3.215 18.662 10.247 1000 1HB ASP 137 2HB ASP 137 5.792 17.139 9.746 1001 2HB ASP 137 1HB ASP 137 5.662 18.848 10.164 Start of MODEL 19 1 1H ARG 1 1HT ARG 1 -5.995 18.740 10.800 2 2H ARG 1 2HT ARG 1 -4.680 19.724 11.234 3 3H ARG 1 3HT ARG 1 -4.418 18.287 10.366 4 HA ARG 1 HA ARG 1 -6.245 19.892 8.945 5 1HB ARG 1 2HB ARG 1 -4.989 21.661 10.342 6 2HB ARG 1 1HB ARG 1 -3.572 21.232 9.383 7 1HG ARG 1 2HG ARG 1 -4.734 21.805 7.321 8 2HG ARG 1 1HG ARG 1 -6.229 22.102 8.208 9 1HD ARG 1 2HD ARG 1 -4.881 23.847 9.545 10 2HD ARG 1 1HD ARG 1 -3.672 23.704 8.270 11 HE ARG 1 HE ARG 1 -5.146 24.845 6.803 12 1HH1 ARG 1 1HH2 ARG 1 -6.814 23.559 9.524 13 2HH1 ARG 1 2HH2 ARG 1 -8.216 24.551 9.306 14 1HH2 ARG 1 1HH1 ARG 1 -6.913 26.255 6.581 15 2HH2 ARG 1 2HH1 ARG 1 -8.272 26.077 7.640 16 H CYS 2 H CYS 2 -5.900 19.343 6.823 17 HA CYS 2 HA CYS 2 -3.244 18.443 5.955 18 1HB CYS 2 2HB CYS 2 -5.690 16.668 6.028 19 2HB CYS 2 1HB CYS 2 -4.321 16.330 4.975 20 HA PRO 3 HA PRO 3 -4.385 20.495 2.211 21 1HB PRO 3 2HB PRO 3 -3.499 18.374 0.472 22 2HB PRO 3 1HB PRO 3 -2.679 19.889 0.860 23 1HG PRO 3 2HG PRO 3 -2.083 17.209 1.808 24 2HG PRO 3 1HG PRO 3 -1.151 18.694 2.028 25 1HD PRO 3 2HD PRO 3 -2.581 17.321 4.036 26 2HD PRO 3 1HD PRO 3 -1.932 18.973 4.161 27 H LYS 4 H LYS 4 -5.846 20.306 0.336 28 HA LYS 4 HA LYS 4 -8.237 18.862 0.919 29 1HB LYS 4 2HB LYS 4 -7.426 20.069 -1.738 30 2HB LYS 4 1HB LYS 4 -9.066 19.739 -1.180 31 1HG LYS 4 2HG LYS 4 -8.737 21.353 0.681 32 2HG LYS 4 1HG LYS 4 -7.128 21.718 0.055 33 1HD LYS 4 2HD LYS 4 -8.205 22.374 -2.125 34 2HD LYS 4 1HD LYS 4 -9.775 22.187 -1.343 35 1HE LYS 4 2HE LYS 4 -8.950 23.820 0.428 36 2HE LYS 4 1HE LYS 4 -7.579 24.144 -0.633 37 1HZ LYS 4 1HZ LYS 4 -10.408 24.802 -0.991 38 2HZ LYS 4 2HZ LYS 4 -9.493 24.448 -2.378 39 3HZ LYS 4 3HZ LYS 4 -9.031 25.721 -1.353 40 H GLY 5 H GLY 5 -9.062 16.990 -0.070 41 1HA GLY 5 2HA GLY 5 -9.007 14.999 -1.346 42 2HA GLY 5 1HA GLY 5 -7.562 15.611 -2.163 43 H SER 6 H SER 6 -6.692 16.267 0.759 44 HA SER 6 HA SER 6 -5.383 13.611 1.184 45 1HB SER 6 2HB SER 6 -4.664 16.109 2.698 46 2HB SER 6 1HB SER 6 -3.639 14.747 2.262 47 HG SER 6 HG SER 6 -4.747 16.694 0.510 48 H LYS 7 H LYS 7 -5.584 12.522 3.195 49 HA LYS 7 HA LYS 7 -7.565 13.719 5.110 50 1HB LYS 7 2HB LYS 7 -7.346 10.832 4.212 51 2HB LYS 7 1HB LYS 7 -8.404 11.406 5.500 52 1HG LYS 7 2HG LYS 7 -9.340 13.055 3.745 53 2HG LYS 7 1HG LYS 7 -8.540 12.038 2.549 54 1HD LYS 7 2HD LYS 7 -10.379 10.834 4.617 55 2HD LYS 7 1HD LYS 7 -11.018 11.520 3.126 56 1HE LYS 7 2HE LYS 7 -9.711 10.002 1.780 57 2HE LYS 7 1HE LYS 7 -8.841 9.416 3.197 58 1HZ LYS 7 1HZ LYS 7 -11.487 9.086 3.811 59 2HZ LYS 7 2HZ LYS 7 -10.400 7.867 3.345 60 3HZ LYS 7 3HZ LYS 7 -11.382 8.622 2.183 61 H ALA 8 H ALA 8 -6.979 13.611 7.254 62 HA ALA 8 HA ALA 8 -4.263 12.696 7.856 63 1HB ALA 8 1HB ALA 8 -6.227 13.602 9.945 64 2HB ALA 8 2HB ALA 8 -5.536 14.771 8.821 65 3HB ALA 8 3HB ALA 8 -4.481 13.840 9.884 66 H TYR 9 H TYR 9 -3.801 11.193 9.614 67 HA TYR 9 HA TYR 9 -5.840 9.502 10.752 68 1HB TYR 9 2HB TYR 9 -5.492 8.812 8.192 69 2HB TYR 9 1HB TYR 9 -4.107 7.951 8.860 70 HD1 TYR 9 1HD TYR 9 -4.731 6.743 11.241 71 HD2 TYR 9 2HD TYR 9 -7.456 7.566 8.024 72 HE1 TYR 9 1HE TYR 9 -6.233 4.946 12.053 73 HE2 TYR 9 2HE TYR 9 -8.957 5.768 8.837 74 HH TYR 9 HH TYR 9 -8.134 3.860 11.738 75 H GLY 10 H GLY 10 -4.945 8.789 12.639 76 1HA GLY 10 2HA GLY 10 -3.300 8.015 14.144 77 2HA GLY 10 1HA GLY 10 -2.208 7.813 12.770 78 H SER 11 H SER 11 -1.495 10.033 11.783 79 HA SER 11 HA SER 11 -1.504 12.412 13.326 80 1HB SER 11 2HB SER 11 0.987 12.164 14.103 81 2HB SER 11 1HB SER 11 -0.291 11.451 15.083 82 HG SER 11 HG SER 11 1.761 10.247 13.922 83 H HIS 12 H HIS 12 -1.333 11.293 10.513 84 HA HIS 12 HA HIS 12 0.709 13.214 9.559 85 1HB HIS 12 2HB HIS 12 0.535 10.380 8.501 86 2HB HIS 12 1HB HIS 12 1.710 11.614 8.050 87 HD1 HIS 12 1HD HIS 12 3.859 11.550 9.305 88 HD2 HIS 12 2HD HIS 12 0.789 9.700 11.433 89 HE1 HIS 12 1HE HIS 12 4.915 10.586 11.395 90 H CYS 13 H CYS 13 0.284 13.892 7.349 91 HA CYS 13 HA CYS 13 -2.577 13.713 6.662 92 1HB CYS 13 2HB CYS 13 -0.255 15.269 5.496 93 2HB CYS 13 1HB CYS 13 -1.875 15.302 4.806 94 H TYR 14 H TYR 14 -3.346 12.279 5.183 95 HA TYR 14 HA TYR 14 -1.374 10.748 3.577 96 1HB TYR 14 2HB TYR 14 -4.288 10.246 4.226 97 2HB TYR 14 1HB TYR 14 -3.347 9.238 3.128 98 HD1 TYR 14 1HD TYR 14 -3.044 10.743 6.559 99 HD2 TYR 14 2HD TYR 14 -2.305 7.354 4.025 100 HE1 TYR 14 1HE TYR 14 -2.114 9.502 8.489 101 HE2 TYR 14 2HE TYR 14 -1.380 6.111 5.960 102 HH TYR 14 HH TYR 14 -1.037 6.124 8.157 103 H ALA 15 H ALA 15 -1.338 10.870 1.351 104 HA ALA 15 HA ALA 15 -3.490 12.472 0.026 105 1HB ALA 15 1HB ALA 15 -1.471 13.881 0.359 106 2HB ALA 15 2HB ALA 15 -1.792 13.583 -1.350 107 3HB ALA 15 3HB ALA 15 -0.515 12.691 -0.525 108 H LEU 16 H LEU 16 -4.070 11.741 -2.011 109 HA LEU 16 HA LEU 16 -2.904 9.116 -2.822 110 1HB LEU 16 2HB LEU 16 -5.239 8.882 -2.551 111 2HB LEU 16 1HB LEU 16 -5.571 10.464 -3.247 112 HG LEU 16 HG LEU 16 -4.896 9.646 -5.470 113 1HD1 LEU 16 1HD1 LEU 16 -3.234 8.007 -4.952 114 2HD1 LEU 16 2HD1 LEU 16 -4.570 7.121 -5.681 115 3HD1 LEU 16 3HD1 LEU 16 -4.348 7.099 -3.933 116 1HD2 LEU 16 1HD2 LEU 16 -6.955 8.049 -3.942 117 2HD2 LEU 16 2HD2 LEU 16 -6.710 7.829 -5.675 118 3HD2 LEU 16 3HD2 LEU 16 -7.218 9.397 -5.047 119 H PHE 17 H PHE 17 -1.543 9.142 -4.564 120 HA PHE 17 HA PHE 17 -1.656 11.478 -6.409 121 1HB PHE 17 2HB PHE 17 0.527 9.598 -5.534 122 2HB PHE 17 1HB PHE 17 0.646 10.386 -7.109 123 HD1 PHE 17 1HD PHE 17 -0.475 11.408 -3.667 124 HD2 PHE 17 2HD PHE 17 1.969 12.303 -7.086 125 HE1 PHE 17 1HE PHE 17 0.308 13.487 -2.565 126 HE2 PHE 17 2HE PHE 17 2.751 14.381 -5.982 127 HZ PHE 17 HZ PHE 17 1.919 14.973 -3.722 128 H LEU 18 H LEU 18 -2.847 10.990 -8.181 129 HA LEU 18 HA LEU 18 -3.381 8.276 -9.019 130 1HB LEU 18 2HB LEU 18 -3.934 11.017 -10.139 131 2HB LEU 18 1HB LEU 18 -4.123 9.618 -11.190 132 HG LEU 18 HG LEU 18 -6.202 10.433 -9.893 133 1HD1 LEU 18 1HD1 LEU 18 -5.197 7.596 -10.003 134 2HD1 LEU 18 2HD1 LEU 18 -6.434 8.376 -10.985 135 3HD1 LEU 18 3HD1 LEU 18 -6.776 7.956 -9.307 136 1HD2 LEU 18 1HD2 LEU 18 -4.783 10.541 -7.716 137 2HD2 LEU 18 2HD2 LEU 18 -5.033 8.798 -7.642 138 3HD2 LEU 18 3HD2 LEU 18 -6.416 9.887 -7.612 139 H SER 19 H SER 19 -0.597 9.693 -8.874 140 HA SER 19 HA SER 19 0.299 9.182 -11.657 141 1HB SER 19 2HB SER 19 2.503 9.853 -9.990 142 2HB SER 19 1HB SER 19 1.737 10.840 -11.230 143 HG SER 19 HG SER 19 1.086 12.021 -9.623 144 HA PRO 20 HA PRO 20 1.503 5.041 -10.387 145 1HB PRO 20 2HB PRO 20 3.138 4.794 -12.730 146 2HB PRO 20 1HB PRO 20 1.535 4.111 -12.442 147 1HG PRO 20 2HG PRO 20 2.244 6.266 -14.197 148 2HG PRO 20 1HG PRO 20 0.643 5.583 -13.909 149 1HD PRO 20 2HD PRO 20 1.667 8.137 -13.051 150 2HD PRO 20 1HD PRO 20 0.044 7.452 -12.779 151 H LYS 21 H LYS 21 3.377 4.108 -9.427 152 HA LYS 21 HA LYS 21 6.035 5.231 -9.901 153 1HB LYS 21 2HB LYS 21 4.526 5.826 -7.351 154 2HB LYS 21 1HB LYS 21 6.284 5.733 -7.355 155 1HG LYS 21 2HG LYS 21 4.592 7.616 -9.031 156 2HG LYS 21 1HG LYS 21 5.561 8.055 -7.634 157 1HD LYS 21 2HD LYS 21 7.481 6.861 -9.100 158 2HD LYS 21 1HD LYS 21 6.434 7.406 -10.410 159 1HE LYS 21 2HE LYS 21 7.631 9.129 -8.223 160 2HE LYS 21 1HE LYS 21 8.061 9.149 -9.932 161 1HZ LYS 21 1HZ LYS 21 6.561 10.814 -9.952 162 2HZ LYS 21 2HZ LYS 21 5.725 10.246 -8.587 163 3HZ LYS 21 3HZ LYS 21 5.454 9.540 -10.108 164 H SER 22 H SER 22 7.435 3.523 -9.657 165 HA SER 22 HA SER 22 6.713 0.919 -8.982 166 1HB SER 22 2HB SER 22 9.385 2.238 -8.451 167 2HB SER 22 1HB SER 22 9.101 0.503 -8.519 168 HG SER 22 HG SER 22 9.638 0.910 -10.552 169 H TRP 23 H TRP 23 6.829 -0.330 -7.025 170 HA TRP 23 HA TRP 23 5.947 1.009 -4.660 171 1HB TRP 23 2HB TRP 23 5.485 -1.356 -4.924 172 2HB TRP 23 1HB TRP 23 7.203 -1.727 -5.042 173 HD1 TRP 23 HD TRP 23 4.440 -1.221 -2.578 174 HE1 TRP 23 1HE TRP 23 5.351 -1.437 -0.175 175 HE3 TRP 23 3HE TRP 23 9.457 -1.215 -3.533 176 HZ2 TRP 23 2HZ TRP 23 7.876 -1.590 1.162 177 HZ3 TRP 23 3HZ TRP 23 11.090 -1.397 -1.679 178 HH2 TRP 23 HH TRP 23 10.308 -1.584 0.665 179 H THR 24 H THR 24 9.062 0.443 -6.009 180 HA THR 24 HA THR 24 10.466 1.026 -3.473 181 HB THR 24 HB THR 24 11.254 -0.682 -5.214 182 HG1 THR 24 1HG THR 24 13.237 1.244 -4.809 183 1HG2 THR 24 1HG2 THR 24 10.827 1.049 -7.095 184 2HG2 THR 24 2HG2 THR 24 12.281 0.058 -7.196 185 3HG2 THR 24 3HG2 THR 24 12.386 1.724 -6.627 186 H ASP 25 H ASP 25 9.279 2.615 -6.251 187 HA ASP 25 HA ASP 25 11.087 4.930 -6.013 188 1HB ASP 25 2HB ASP 25 10.363 4.268 -8.251 189 2HB ASP 25 1HB ASP 25 8.671 4.444 -7.780 190 H ALA 26 H ALA 26 7.656 4.129 -5.405 191 HA ALA 26 HA ALA 26 7.062 6.804 -4.430 192 1HB ALA 26 1HB ALA 26 5.379 5.082 -5.328 193 2HB ALA 26 2HB ALA 26 4.927 5.906 -3.839 194 3HB ALA 26 3HB ALA 26 5.560 4.262 -3.782 195 H ASP 27 H ASP 27 8.227 3.767 -3.177 196 HA ASP 27 HA ASP 27 7.903 4.296 -0.389 197 1HB ASP 27 2HB ASP 27 8.401 2.065 -1.177 198 2HB ASP 27 1HB ASP 27 9.900 2.619 -1.925 199 H LEU 28 H LEU 28 10.542 4.993 -2.669 200 HA LEU 28 HA LEU 28 12.282 6.131 -0.652 201 1HB LEU 28 2HB LEU 28 12.977 5.194 -2.926 202 2HB LEU 28 1HB LEU 28 12.366 6.692 -3.621 203 HG LEU 28 HG LEU 28 13.882 7.835 -1.797 204 1HD1 LEU 28 1HD1 LEU 28 15.093 5.067 -2.065 205 2HD1 LEU 28 2HD1 LEU 28 14.545 5.849 -0.583 206 3HD1 LEU 28 3HD1 LEU 28 15.964 6.461 -1.428 207 1HD2 LEU 28 1HD2 LEU 28 14.962 6.471 -4.282 208 2HD2 LEU 28 2HD2 LEU 28 15.802 7.751 -3.408 209 3HD2 LEU 28 3HD2 LEU 28 14.258 8.086 -4.190 210 H ALA 29 H ALA 29 10.173 7.577 -3.158 211 HA ALA 29 HA ALA 29 10.747 10.293 -2.422 212 1HB ALA 29 1HB ALA 29 8.781 10.871 -3.738 213 2HB ALA 29 2HB ALA 29 8.213 9.203 -3.681 214 3HB ALA 29 3HB ALA 29 9.680 9.604 -4.574 215 H CYS 30 H CYS 30 7.981 8.160 -1.540 216 HA CYS 30 HA CYS 30 6.787 10.094 0.197 217 1HB CYS 30 2HB CYS 30 6.634 7.066 0.210 218 2HB CYS 30 1HB CYS 30 5.583 8.127 1.152 219 H GLN 31 H GLN 31 9.566 8.084 0.486 220 HA GLN 31 HA GLN 31 9.643 8.156 3.417 221 1HB GLN 31 2HB GLN 31 10.759 6.292 2.351 222 2HB GLN 31 1HB GLN 31 11.693 7.375 1.323 223 1HG GLN 31 2HG GLN 31 12.973 8.183 3.164 224 2HG GLN 31 1HG GLN 31 11.869 7.466 4.339 225 1HE2 GLN 31 1HE2 GLN 31 12.703 5.603 1.485 226 2HE2 GLN 31 2HE2 GLN 31 13.723 4.497 2.271 227 H LYS 32 H LYS 32 10.759 10.032 0.708 228 HA LYS 32 HA LYS 32 12.652 11.640 2.149 229 1HB LYS 32 2HB LYS 32 12.887 11.583 -0.223 230 2HB LYS 32 1HB LYS 32 11.186 11.973 -0.471 231 1HG LYS 32 2HG LYS 32 11.486 14.221 0.223 232 2HG LYS 32 1HG LYS 32 13.062 13.873 0.937 233 1HD LYS 32 2HD LYS 32 13.299 15.038 -1.234 234 2HD LYS 32 1HD LYS 32 13.985 13.415 -1.300 235 1HE LYS 32 2HE LYS 32 12.188 12.570 -2.562 236 2HE LYS 32 1HE LYS 32 11.121 13.899 -2.105 237 1HZ LYS 32 1HZ LYS 32 11.854 15.128 -3.784 238 2HZ LYS 32 2HZ LYS 32 12.601 13.728 -4.392 239 3HZ LYS 32 3HZ LYS 32 13.483 14.814 -3.425 240 H ARG 33 H ARG 33 9.326 11.389 2.315 241 HA ARG 33 HA ARG 33 8.761 14.222 2.834 242 1HB ARG 33 2HB ARG 33 7.200 11.699 2.624 243 2HB ARG 33 1HB ARG 33 6.521 12.954 3.653 244 1HG ARG 33 2HG ARG 33 6.646 14.566 1.801 245 2HG ARG 33 1HG ARG 33 7.383 13.339 0.770 246 1HD ARG 33 2HD ARG 33 5.370 11.954 0.927 247 2HD ARG 33 1HD ARG 33 4.633 13.117 2.028 248 HE ARG 33 HE ARG 33 5.340 14.516 -0.333 249 1HH1 ARG 33 1HH1 ARG 33 3.066 12.333 1.026 250 2HH1 ARG 33 2HH1 ARG 33 1.933 12.484 -0.276 251 1HH2 ARG 33 1HH2 ARG 33 3.963 14.579 -2.151 252 2HH2 ARG 33 2HH2 ARG 33 2.440 13.755 -2.074 253 HA PRO 34 HA PRO 34 9.494 14.494 7.151 254 1HB PRO 34 2HB PRO 34 6.748 14.951 7.937 255 2HB PRO 34 1HB PRO 34 8.059 16.126 7.797 256 1HG PRO 34 2HG PRO 34 5.831 15.634 5.971 257 2HG PRO 34 1HG PRO 34 6.962 16.993 6.006 258 1HD PRO 34 2HD PRO 34 6.917 15.014 4.044 259 2HD PRO 34 1HD PRO 34 8.319 16.049 4.399 260 H SER 35 H SER 35 9.898 12.132 7.088 261 HA SER 35 HA SER 35 9.620 9.996 7.987 262 1HB SER 35 2HB SER 35 8.916 11.515 10.000 263 2HB SER 35 1HB SER 35 7.280 11.011 9.589 264 HG SER 35 HG SER 35 9.207 9.662 10.887 265 H GLY 36 H GLY 36 7.904 11.178 5.708 266 1HA GLY 36 2HA GLY 36 5.417 9.656 5.884 267 2HA GLY 36 1HA GLY 36 6.000 10.517 4.462 268 H ASN 37 H ASN 37 5.000 8.258 3.718 269 HA ASN 37 HA ASN 37 6.914 6.752 2.393 270 1HB ASN 37 2HB ASN 37 6.794 6.043 5.255 271 2HB ASN 37 1HB ASN 37 6.565 4.665 4.186 272 1HD2 ASN 37 1HD2 ASN 37 8.275 4.418 2.409 273 2HD2 ASN 37 2HD2 ASN 37 9.867 4.872 2.784 274 H LEU 38 H LEU 38 5.878 5.094 1.151 275 HA LEU 38 HA LEU 38 3.349 5.087 0.360 276 1HB LEU 38 2HB LEU 38 4.865 2.623 1.211 277 2HB LEU 38 1HB LEU 38 3.317 2.533 0.372 278 HG LEU 38 HG LEU 38 5.639 4.144 -0.692 279 1HD1 LEU 38 1HD1 LEU 38 6.227 1.701 -0.424 280 2HD1 LEU 38 2HD1 LEU 38 6.251 2.277 -2.091 281 3HD1 LEU 38 3HD1 LEU 38 4.885 1.325 -1.506 282 1HD2 LEU 38 1HD2 LEU 38 4.047 4.788 -2.144 283 2HD2 LEU 38 2HD2 LEU 38 2.886 3.645 -1.482 284 3HD2 LEU 38 3HD2 LEU 38 4.003 3.132 -2.743 285 H VAL 39 H VAL 39 1.298 4.917 1.127 286 HA VAL 39 HA VAL 39 0.487 5.309 3.688 287 HB VAL 39 HB VAL 39 -1.140 5.265 1.934 288 1HG1 VAL 39 1HG1 VAL 39 -0.045 3.463 0.602 289 2HG1 VAL 39 2HG1 VAL 39 -1.782 3.218 0.775 290 3HG1 VAL 39 3HG1 VAL 39 -0.658 2.279 1.755 291 1HG2 VAL 39 1HG2 VAL 39 -2.931 4.138 3.015 292 2HG2 VAL 39 2HG2 VAL 39 -1.806 4.537 4.312 293 3HG2 VAL 39 3HG2 VAL 39 -1.862 2.898 3.668 294 H SER 40 H SER 40 -0.413 3.968 5.374 295 HA SER 40 HA SER 40 0.949 1.306 5.632 296 1HB SER 40 2HB SER 40 1.909 2.418 7.402 297 2HB SER 40 1HB SER 40 0.617 3.611 7.479 298 HG SER 40 HG SER 40 0.316 2.372 9.245 299 H VAL 41 H VAL 41 -0.341 -0.032 7.452 300 HA VAL 41 HA VAL 41 -3.194 0.451 7.618 301 HB VAL 41 HB VAL 41 -3.238 -2.069 6.324 302 1HG1 VAL 41 1HG1 VAL 41 -4.043 0.686 5.360 303 2HG1 VAL 41 2HG1 VAL 41 -5.043 -0.447 6.267 304 3HG1 VAL 41 3HG1 VAL 41 -4.554 -0.829 4.615 305 1HG2 VAL 41 1HG2 VAL 41 -0.957 -1.184 5.396 306 2HG2 VAL 41 2HG2 VAL 41 -1.961 -0.098 4.436 307 3HG2 VAL 41 3HG2 VAL 41 -2.137 -1.844 4.268 308 H LEU 42 H LEU 42 -2.681 0.080 9.865 309 HA LEU 42 HA LEU 42 -2.019 -2.770 10.532 310 1HB LEU 42 2HB LEU 42 -1.511 -0.209 12.056 311 2HB LEU 42 1HB LEU 42 -1.344 -1.809 12.778 312 HG LEU 42 HG LEU 42 0.072 -1.033 10.228 313 1HD1 LEU 42 1HD1 LEU 42 0.833 0.515 11.943 314 2HD1 LEU 42 2HD1 LEU 42 2.082 -0.707 11.707 315 3HD1 LEU 42 3HD1 LEU 42 1.011 -0.800 13.103 316 1HD2 LEU 42 1HD2 LEU 42 -0.031 -3.413 10.574 317 2HD2 LEU 42 2HD2 LEU 42 0.380 -3.241 12.275 318 3HD2 LEU 42 3HD2 LEU 42 1.587 -2.905 11.039 319 H SER 43 H SER 43 -4.695 -1.096 10.124 320 HA SER 43 HA SER 43 -6.025 -2.405 12.446 321 1HB SER 43 2HB SER 43 -5.611 0.013 12.996 322 2HB SER 43 1HB SER 43 -6.599 0.450 11.605 323 HG SER 43 HG SER 43 -7.838 -1.396 13.136 324 H GLY 44 H GLY 44 -8.178 -3.033 12.021 325 1HA GLY 44 2HA GLY 44 -8.824 -3.614 9.297 326 2HA GLY 44 1HA GLY 44 -9.947 -3.746 10.651 327 H ALA 45 H ALA 45 -9.238 -0.794 11.214 328 HA ALA 45 HA ALA 45 -11.427 0.300 9.583 329 1HB ALA 45 1HB ALA 45 -11.293 0.913 11.950 330 2HB ALA 45 2HB ALA 45 -11.053 2.347 10.953 331 3HB ALA 45 3HB ALA 45 -9.671 1.560 11.713 332 H GLU 46 H GLU 46 -7.918 0.572 9.840 333 HA GLU 46 HA GLU 46 -7.677 2.821 8.038 334 1HB GLU 46 2HB GLU 46 -5.737 0.706 8.995 335 2HB GLU 46 1HB GLU 46 -5.266 1.964 7.852 336 1HG GLU 46 2HG GLU 46 -5.796 3.705 9.429 337 2HG GLU 46 1HG GLU 46 -6.546 2.552 10.533 338 H GLY 47 H GLY 47 -7.505 -0.711 7.632 339 1HA GLY 47 2HA GLY 47 -6.786 -0.715 4.872 340 2HA GLY 47 1HA GLY 47 -7.665 -2.014 5.678 341 H SER 48 H SER 48 -9.874 -0.259 6.497 342 HA SER 48 HA SER 48 -11.371 -0.323 3.964 343 1HB SER 48 2HB SER 48 -12.347 -1.085 6.168 344 2HB SER 48 1HB SER 48 -12.311 0.594 6.699 345 HG SER 48 HG SER 48 -14.011 0.962 5.524 346 H PHE 49 H PHE 49 -9.922 2.022 6.132 347 HA PHE 49 HA PHE 49 -11.261 4.340 5.044 348 1HB PHE 49 2HB PHE 49 -9.885 4.062 7.266 349 2HB PHE 49 1HB PHE 49 -8.502 4.453 6.246 350 HD1 PHE 49 1HD PHE 49 -8.110 6.685 5.501 351 HD2 PHE 49 2HD PHE 49 -11.831 5.664 7.387 352 HE1 PHE 49 1HE PHE 49 -8.703 9.089 5.633 353 HE2 PHE 49 2HE PHE 49 -12.425 8.068 7.518 354 HZ PHE 49 HZ PHE 49 -10.860 9.781 6.641 355 H VAL 50 H VAL 50 -8.014 2.926 4.488 356 HA VAL 50 HA VAL 50 -7.222 4.761 2.466 357 HB VAL 50 HB VAL 50 -6.479 1.830 2.729 358 1HG1 VAL 50 1HG1 VAL 50 -5.881 2.696 0.540 359 2HG1 VAL 50 2HG1 VAL 50 -4.417 2.586 1.516 360 3HG1 VAL 50 3HG1 VAL 50 -5.192 4.150 1.261 361 1HG2 VAL 50 1HG2 VAL 50 -6.028 3.184 4.769 362 2HG2 VAL 50 2HG2 VAL 50 -5.118 4.331 3.788 363 3HG2 VAL 50 3HG2 VAL 50 -4.536 2.676 3.978 364 H SER 51 H SER 51 -8.971 1.668 2.266 365 HA SER 51 HA SER 51 -9.148 1.468 -0.548 366 1HB SER 51 2HB SER 51 -9.956 -0.405 0.608 367 2HB SER 51 1HB SER 51 -10.914 0.571 1.717 368 HG SER 51 HG SER 51 -11.468 0.648 -1.032 369 H SER 52 H SER 52 -11.152 3.296 1.750 370 HA SER 52 HA SER 52 -13.014 4.222 -0.267 371 1HB SER 52 2HB SER 52 -13.701 4.193 2.061 372 2HB SER 52 1HB SER 52 -12.362 5.245 2.511 373 HG SER 52 HG SER 52 -13.334 6.919 1.522 374 H LEU 53 H LEU 53 -9.875 5.252 0.826 375 HA LEU 53 HA LEU 53 -10.107 7.959 -0.250 376 1HB LEU 53 2HB LEU 53 -8.554 7.822 1.504 377 2HB LEU 53 1HB LEU 53 -7.909 6.286 0.939 378 HG LEU 53 HG LEU 53 -6.923 7.484 -1.039 379 1HD1 LEU 53 1HD1 LEU 53 -7.746 9.960 0.523 380 2HD1 LEU 53 2HD1 LEU 53 -8.497 9.429 -0.981 381 3HD1 LEU 53 3HD1 LEU 53 -6.809 9.936 -0.970 382 1HD2 LEU 53 1HD2 LEU 53 -5.052 8.343 0.178 383 2HD2 LEU 53 2HD2 LEU 53 -5.715 7.039 1.164 384 3HD2 LEU 53 3HD2 LEU 53 -6.049 8.719 1.583 385 H VAL 54 H VAL 54 -9.236 4.814 -1.442 386 HA VAL 54 HA VAL 54 -8.359 6.069 -4.017 387 HB VAL 54 HB VAL 54 -6.942 4.120 -4.382 388 1HG1 VAL 54 1HG1 VAL 54 -5.276 4.608 -2.751 389 2HG1 VAL 54 2HG1 VAL 54 -6.483 5.037 -1.537 390 3HG1 VAL 54 3HG1 VAL 54 -6.206 6.098 -2.919 391 1HG2 VAL 54 1HG2 VAL 54 -8.277 3.166 -1.851 392 2HG2 VAL 54 2HG2 VAL 54 -6.687 2.557 -2.310 393 3HG2 VAL 54 3HG2 VAL 54 -8.069 2.306 -3.376 394 H LYS 55 H LYS 55 -11.061 4.985 -2.875 395 HA LYS 55 HA LYS 55 -11.701 2.702 -4.538 396 1HB LYS 55 2HB LYS 55 -13.036 4.338 -2.561 397 2HB LYS 55 1HB LYS 55 -14.089 4.134 -3.959 398 1HG LYS 55 2HG LYS 55 -13.710 1.674 -3.847 399 2HG LYS 55 1HG LYS 55 -12.748 1.912 -2.388 400 1HD LYS 55 2HD LYS 55 -14.719 2.980 -1.301 401 2HD LYS 55 1HD LYS 55 -15.672 2.631 -2.743 402 1HE LYS 55 2HE LYS 55 -14.257 0.539 -1.066 403 2HE LYS 55 1HE LYS 55 -15.978 0.910 -0.966 404 1HZ LYS 55 1HZ LYS 55 -15.910 0.496 -3.499 405 2HZ LYS 55 2HZ LYS 55 -15.936 -0.834 -2.441 406 3HZ LYS 55 3HZ LYS 55 -14.477 -0.347 -3.162 407 H SER 56 H SER 56 -11.725 6.165 -4.996 408 HA SER 56 HA SER 56 -13.132 5.883 -7.604 409 1HB SER 56 2HB SER 56 -12.204 8.366 -6.127 410 2HB SER 56 1HB SER 56 -13.155 8.348 -7.609 411 HG SER 56 HG SER 56 -14.672 8.461 -6.080 412 H ILE 57 H ILE 57 -10.516 4.761 -7.231 413 HA ILE 57 HA ILE 57 -8.359 6.329 -8.053 414 HB ILE 57 HB ILE 57 -7.775 4.180 -7.411 415 1HG1 ILE 57 2HG1 ILE 57 -6.849 2.996 -9.306 416 2HG1 ILE 57 1HG1 ILE 57 -7.999 3.753 -10.401 417 1HG2 ILE 57 1HG2 ILE 57 -8.982 2.147 -8.432 418 2HG2 ILE 57 2HG2 ILE 57 -10.170 3.306 -9.022 419 3HG2 ILE 57 3HG2 ILE 57 -9.892 3.134 -7.293 420 1HD1 ILE 57 1HD1 ILE 57 -5.445 4.672 -9.909 421 2HD1 ILE 57 2HD1 ILE 57 -6.409 5.682 -8.846 422 3HD1 ILE 57 3HD1 ILE 57 -6.751 5.647 -10.574 423 H GLY 58 H GLY 58 -10.435 4.343 -10.215 424 1HA GLY 58 2HA GLY 58 -11.252 5.909 -12.179 425 2HA GLY 58 1HA GLY 58 -9.520 6.028 -12.494 426 H ASN 59 H ASN 59 -11.315 4.941 -14.386 427 HA ASN 59 HA ASN 59 -11.438 2.090 -14.267 428 1HB ASN 59 2HB ASN 59 -11.608 4.033 -16.576 429 2HB ASN 59 1HB ASN 59 -11.854 2.296 -16.757 430 1HD2 ASN 59 1HD2 ASN 59 -12.909 4.522 -14.124 431 2HD2 ASN 59 2HD2 ASN 59 -14.560 4.157 -14.277 432 H SER 60 H SER 60 -9.222 4.306 -15.991 433 HA SER 60 HA SER 60 -7.568 2.201 -17.048 434 1HB SER 60 2HB SER 60 -6.894 5.107 -16.504 435 2HB SER 60 1HB SER 60 -5.938 4.009 -17.495 436 HG SER 60 HG SER 60 -8.303 3.764 -18.453 437 H TYR 61 H TYR 61 -8.162 2.363 -14.029 438 HA TYR 61 HA TYR 61 -5.504 1.493 -13.171 439 1HB TYR 61 2HB TYR 61 -6.776 3.989 -12.059 440 2HB TYR 61 1HB TYR 61 -5.471 3.116 -11.257 441 HD1 TYR 61 1HD TYR 61 -6.194 5.753 -13.452 442 HD2 TYR 61 2HD TYR 61 -3.424 2.515 -12.899 443 HE1 TYR 61 1HE TYR 61 -4.543 6.917 -14.893 444 HE2 TYR 61 2HE TYR 61 -1.775 3.679 -14.340 445 HH TYR 61 HH TYR 61 -2.129 5.586 -16.366 446 H SER 62 H SER 62 -5.963 -0.299 -12.003 447 HA SER 62 HA SER 62 -8.499 -0.328 -10.400 448 1HB SER 62 2HB SER 62 -7.984 -2.948 -10.713 449 2HB SER 62 1HB SER 62 -8.911 -2.027 -11.896 450 HG SER 62 HG SER 62 -6.378 -1.641 -12.462 451 H TYR 63 H TYR 63 -5.054 -1.159 -10.437 452 HA TYR 63 HA TYR 63 -5.309 -1.995 -7.589 453 1HB TYR 63 2HB TYR 63 -3.190 -2.430 -9.681 454 2HB TYR 63 1HB TYR 63 -2.871 -2.719 -7.971 455 HD1 TYR 63 1HD TYR 63 -5.505 -3.467 -10.544 456 HD2 TYR 63 2HD TYR 63 -3.287 -4.858 -7.141 457 HE1 TYR 63 1HE TYR 63 -6.631 -5.668 -10.707 458 HE2 TYR 63 2HE TYR 63 -4.407 -7.063 -7.309 459 HH TYR 63 HH TYR 63 -6.912 -7.662 -9.772 460 H VAL 64 H VAL 64 -3.531 -1.269 -6.117 461 HA VAL 64 HA VAL 64 -2.381 1.388 -6.804 462 HB VAL 64 HB VAL 64 -4.160 0.814 -4.411 463 1HG1 VAL 64 1HG1 VAL 64 -2.131 2.415 -4.126 464 2HG1 VAL 64 2HG1 VAL 64 -3.721 2.963 -3.601 465 3HG1 VAL 64 3HG1 VAL 64 -3.066 3.514 -5.141 466 1HG2 VAL 64 1HG2 VAL 64 -4.508 2.461 -6.919 467 2HG2 VAL 64 2HG2 VAL 64 -5.520 2.682 -5.494 468 3HG2 VAL 64 3HG2 VAL 64 -5.521 1.138 -6.345 469 H TRP 65 H TRP 65 -0.377 1.713 -5.774 470 HA TRP 65 HA TRP 65 0.804 -0.620 -4.477 471 1HB TRP 65 2HB TRP 65 1.748 1.967 -5.534 472 2HB TRP 65 1HB TRP 65 2.646 1.396 -4.140 473 HD1 TRP 65 HD TRP 65 3.486 1.598 -7.325 474 HE1 TRP 65 1HE TRP 65 4.630 -0.454 -8.361 475 HE3 TRP 65 3HE TRP 65 2.031 -2.016 -3.998 476 HZ2 TRP 65 2HZ TRP 65 4.866 -3.245 -7.877 477 HZ3 TRP 65 3HZ TRP 65 2.736 -4.361 -4.332 478 HH2 TRP 65 HH TRP 65 4.152 -4.982 -6.261 479 H ILE 66 H ILE 66 1.606 -0.713 -2.299 480 HA ILE 66 HA ILE 66 0.871 1.564 -0.527 481 HB ILE 66 HB ILE 66 0.079 -0.098 1.206 482 1HG1 ILE 66 2HG1 ILE 66 0.065 -1.954 -1.188 483 2HG1 ILE 66 1HG1 ILE 66 1.066 -2.129 0.254 484 1HG2 ILE 66 1HG2 ILE 66 -1.590 -0.217 -1.311 485 2HG2 ILE 66 2HG2 ILE 66 -1.411 1.266 -0.377 486 3HG2 ILE 66 3HG2 ILE 66 -2.149 -0.155 0.361 487 1HD1 ILE 66 1HD1 ILE 66 -1.110 -2.158 1.595 488 2HD1 ILE 66 2HD1 ILE 66 -0.813 -3.576 0.589 489 3HD1 ILE 66 3HD1 ILE 66 -1.948 -2.338 0.052 490 H GLY 67 H GLY 67 1.925 1.006 1.762 491 1HA GLY 67 2HA GLY 67 4.731 0.438 1.178 492 2HA GLY 67 1HA GLY 67 4.092 1.066 2.696 493 H LEU 68 H LEU 68 3.686 -1.929 0.771 494 HA LEU 68 HA LEU 68 4.362 -3.433 3.263 495 1HB LEU 68 2HB LEU 68 1.820 -3.367 2.437 496 2HB LEU 68 1HB LEU 68 2.400 -4.624 1.352 497 HG LEU 68 HG LEU 68 1.622 -5.766 3.298 498 1HD1 LEU 68 1HD1 LEU 68 3.961 -6.360 2.420 499 2HD1 LEU 68 2HD1 LEU 68 3.555 -6.919 4.039 500 3HD1 LEU 68 3HD1 LEU 68 4.580 -5.507 3.833 501 1HD2 LEU 68 1HD2 LEU 68 3.338 -4.582 5.332 502 2HD2 LEU 68 2HD2 LEU 68 1.598 -4.854 5.352 503 3HD2 LEU 68 3HD2 LEU 68 2.252 -3.384 4.630 504 H HIS 69 H HIS 69 5.919 -4.984 2.927 505 HA HIS 69 HA HIS 69 6.317 -5.987 0.161 506 1HB HIS 69 2HB HIS 69 8.668 -5.553 0.164 507 2HB HIS 69 1HB HIS 69 7.885 -4.042 0.624 508 HD1 HIS 69 1HD HIS 69 10.456 -6.345 1.725 509 HD2 HIS 69 2HD HIS 69 7.787 -3.768 3.607 510 HE1 HIS 69 1HE HIS 69 11.335 -5.997 4.076 511 H ASP 70 H ASP 70 8.233 -7.667 0.346 512 HA ASP 70 HA ASP 70 7.438 -9.539 2.526 513 1HB ASP 70 2HB ASP 70 8.711 -10.020 -0.178 514 2HB ASP 70 1HB ASP 70 8.442 -11.283 1.024 515 HA PRO 71 HA PRO 71 11.613 -8.293 3.919 516 1HB PRO 71 2HB PRO 71 11.164 -9.843 6.304 517 2HB PRO 71 1HB PRO 71 11.178 -8.087 6.129 518 1HG PRO 71 2HG PRO 71 8.930 -9.766 6.614 519 2HG PRO 71 1HG PRO 71 8.940 -8.023 6.360 520 1HD PRO 71 2HD PRO 71 8.014 -10.095 4.555 521 2HD PRO 71 1HD PRO 71 7.916 -8.327 4.355 522 H THR 72 H THR 72 10.258 -11.355 3.259 523 HA THR 72 HA THR 72 12.516 -13.003 4.017 524 HB THR 72 HB THR 72 11.370 -14.775 2.966 525 HG1 THR 72 1HG THR 72 10.111 -12.778 1.397 526 1HG2 THR 72 1HG2 THR 72 10.063 -13.709 4.811 527 2HG2 THR 72 2HG2 THR 72 9.043 -14.521 3.623 528 3HG2 THR 72 3HG2 THR 72 9.195 -12.764 3.600 529 H GLN 73 H GLN 73 11.617 -11.180 1.131 530 HA GLN 73 HA GLN 73 12.769 -10.876 -0.902 531 1HB GLN 73 2HB GLN 73 14.955 -10.997 1.184 532 2HB GLN 73 1HB GLN 73 15.308 -10.664 -0.512 533 1HG GLN 73 2HG GLN 73 13.856 -8.716 -0.487 534 2HG GLN 73 1HG GLN 73 13.326 -9.087 1.153 535 1HE2 GLN 73 1HE2 GLN 73 14.366 -6.625 1.042 536 2HE2 GLN 73 2HE2 GLN 73 15.966 -6.563 1.602 537 H GLY 74 H GLY 74 12.200 -13.702 0.014 538 1HA GLY 74 2HA GLY 74 12.518 -15.703 -1.277 539 2HA GLY 74 1HA GLY 74 14.008 -15.017 -1.932 540 H THR 75 H THR 75 12.705 -15.894 1.292 541 HA THR 75 HA THR 75 15.104 -17.553 1.769 542 HB THR 75 HB THR 75 15.489 -16.400 3.982 543 HG1 THR 75 1HG THR 75 14.283 -14.116 3.037 544 1HG2 THR 75 1HG2 THR 75 16.819 -15.959 1.870 545 2HG2 THR 75 2HG2 THR 75 16.823 -14.640 3.041 546 3HG2 THR 75 3HG2 THR 75 15.796 -14.547 1.611 547 H GLU 76 H GLU 76 12.492 -16.093 3.742 548 HA GLU 76 HA GLU 76 11.982 -18.152 5.492 549 1HB GLU 76 2HB GLU 76 10.750 -15.932 5.287 550 2HB GLU 76 1HB GLU 76 9.741 -16.712 4.068 551 1HG GLU 76 2HG GLU 76 8.579 -16.958 6.149 552 2HG GLU 76 1HG GLU 76 9.288 -18.534 5.791 553 HA PRO 77 HA PRO 77 11.121 -21.358 2.352 554 1HB PRO 77 2HB PRO 77 10.862 -23.266 4.495 555 2HB PRO 77 1HB PRO 77 12.183 -23.095 3.336 556 1HG PRO 77 2HG PRO 77 12.226 -22.469 6.119 557 2HG PRO 77 1HG PRO 77 13.517 -22.221 4.939 558 1HD PRO 77 2HD PRO 77 11.828 -20.228 6.206 559 2HD PRO 77 1HD PRO 77 13.206 -19.971 5.107 560 H ASN 78 H ASN 78 9.034 -19.626 3.668 561 HA ASN 78 HA ASN 78 6.751 -21.390 3.140 562 1HB ASN 78 2HB ASN 78 7.125 -20.122 5.873 563 2HB ASN 78 1HB ASN 78 5.673 -20.964 5.327 564 1HD2 ASN 78 1HD2 ASN 78 6.228 -23.310 4.413 565 2HD2 ASN 78 2HD2 ASN 78 7.325 -24.208 5.348 566 H GLY 79 H GLY 79 7.862 -18.225 4.337 567 1HA GLY 79 2HA GLY 79 7.294 -16.129 3.308 568 2HA GLY 79 1HA GLY 79 5.963 -16.927 2.468 569 H GLU 80 H GLU 80 6.993 -15.637 5.597 570 HA GLU 80 HA GLU 80 4.164 -15.062 6.221 571 1HB GLU 80 2HB GLU 80 5.944 -16.858 7.874 572 2HB GLU 80 1HB GLU 80 4.575 -16.000 8.584 573 1HG GLU 80 2HG GLU 80 3.090 -17.038 6.861 574 2HG GLU 80 1HG GLU 80 4.469 -17.974 6.285 575 H GLY 81 H GLY 81 6.312 -13.334 5.533 576 1HA GLY 81 2HA GLY 81 7.027 -12.057 8.139 577 2HA GLY 81 1HA GLY 81 7.858 -11.773 6.611 578 H TRP 82 H TRP 82 6.392 -10.821 4.849 579 HA TRP 82 HA TRP 82 5.300 -8.837 4.203 580 1HB TRP 82 2HB TRP 82 3.077 -9.388 6.099 581 2HB TRP 82 1HB TRP 82 3.029 -9.102 4.364 582 HD1 TRP 82 HD TRP 82 5.118 -11.477 3.616 583 HE1 TRP 82 1HE TRP 82 4.257 -13.903 3.694 584 HE3 TRP 82 3HE TRP 82 1.062 -10.877 6.659 585 HZ2 TRP 82 2HZ TRP 82 2.129 -15.395 4.888 586 HZ3 TRP 82 3HZ TRP 82 -0.363 -12.815 7.250 587 HH2 TRP 82 HH TRP 82 0.163 -15.071 6.368 588 H GLU 83 H GLU 83 6.541 -7.107 5.071 589 HA GLU 83 HA GLU 83 5.579 -6.112 7.744 590 1HB GLU 83 2HB GLU 83 7.907 -6.819 7.919 591 2HB GLU 83 1HB GLU 83 8.334 -5.857 6.502 592 1HG GLU 83 2HG GLU 83 7.877 -3.806 7.645 593 2HG GLU 83 1HG GLU 83 7.099 -4.650 8.983 594 H TRP 84 H TRP 84 5.040 -3.915 7.849 595 HA TRP 84 HA TRP 84 4.579 -2.602 5.295 596 1HB TRP 84 2HB TRP 84 4.192 -1.060 7.795 597 2HB TRP 84 1HB TRP 84 3.107 -1.268 6.420 598 HD1 TRP 84 HD TRP 84 4.428 -3.331 9.412 599 HE1 TRP 84 1HE TRP 84 2.570 -4.957 10.140 600 HE3 TRP 84 3HE TRP 84 0.896 -2.263 5.893 601 HZ2 TRP 84 2HZ TRP 84 -0.070 -5.713 9.333 602 HZ3 TRP 84 3HZ TRP 84 -1.281 -3.447 5.892 603 HH2 TRP 84 HH TRP 84 -1.768 -5.167 7.608 604 H SER 85 H SER 85 5.859 -1.052 4.409 605 HA SER 85 HA SER 85 8.365 -0.410 5.788 606 1HB SER 85 2HB SER 85 8.956 0.758 3.705 607 2HB SER 85 1HB SER 85 8.346 -0.854 3.343 608 HG SER 85 HG SER 85 7.110 1.657 3.032 609 H SER 86 H SER 86 5.322 0.710 6.058 610 HA SER 86 HA SER 86 6.288 3.390 6.911 611 1HB SER 86 2HB SER 86 4.789 4.552 5.610 612 2HB SER 86 1HB SER 86 4.982 3.146 4.566 613 HG SER 86 HG SER 86 2.808 4.012 5.906 614 H SER 87 H SER 87 4.974 0.590 7.967 615 HA SER 87 HA SER 87 3.145 2.080 9.846 616 1HB SER 87 2HB SER 87 2.727 -0.839 9.488 617 2HB SER 87 1HB SER 87 1.559 0.452 9.732 618 HG SER 87 HG SER 87 1.270 0.124 7.658 619 H ASP 88 H ASP 88 5.114 -0.910 9.647 620 HA ASP 88 HA ASP 88 6.912 -0.664 11.639 621 1HB ASP 88 2HB ASP 88 4.185 -0.752 12.887 622 2HB ASP 88 1HB ASP 88 5.467 -1.658 13.680 623 H VAL 89 H VAL 89 4.616 -2.965 12.792 624 HA VAL 89 HA VAL 89 6.014 -5.126 11.256 625 HB VAL 89 HB VAL 89 6.703 -5.163 13.598 626 1HG1 VAL 89 1HG1 VAL 89 5.056 -5.406 15.397 627 2HG1 VAL 89 2HG1 VAL 89 3.741 -5.370 14.223 628 3HG1 VAL 89 3HG1 VAL 89 4.729 -3.933 14.484 629 1HG2 VAL 89 1HG2 VAL 89 6.086 -7.312 12.302 630 2HG2 VAL 89 2HG2 VAL 89 4.623 -7.335 13.286 631 3HG2 VAL 89 3HG2 VAL 89 6.206 -7.439 14.057 632 H MET 90 H MET 90 4.671 -7.128 11.051 633 HA MET 90 HA MET 90 2.102 -6.548 9.955 634 1HB MET 90 2HB MET 90 3.712 -8.587 9.589 635 2HB MET 90 1HB MET 90 2.832 -9.294 10.942 636 1HG MET 90 2HG MET 90 0.744 -8.395 9.459 637 2HG MET 90 1HG MET 90 1.907 -8.721 8.175 638 1HE MET 90 1HE MET 90 3.658 -10.976 9.544 639 2HE MET 90 2HE MET 90 3.158 -10.933 7.855 640 3HE MET 90 3HE MET 90 2.915 -12.399 8.801 641 H ASN 91 H ASN 91 0.906 -5.414 11.633 642 HA ASN 91 HA ASN 91 0.122 -7.138 13.953 643 1HB ASN 91 2HB ASN 91 0.972 -4.559 14.042 644 2HB ASN 91 1HB ASN 91 -0.761 -4.294 13.841 645 1HD2 ASN 91 1HD2 ASN 91 -2.154 -5.758 15.404 646 2HD2 ASN 91 2HD2 ASN 91 -1.571 -5.906 16.992 647 H TYR 92 H TYR 92 -0.844 -6.155 10.911 648 HA TYR 92 HA TYR 92 -3.663 -6.879 11.527 649 1HB TYR 92 2HB TYR 92 -3.554 -4.440 11.201 650 2HB TYR 92 1HB TYR 92 -2.770 -4.685 9.643 651 HD1 TYR 92 1HD TYR 92 -5.752 -6.160 11.412 652 HD2 TYR 92 2HD TYR 92 -4.195 -4.357 7.834 653 HE1 TYR 92 1HE TYR 92 -7.962 -6.408 10.323 654 HE2 TYR 92 2HE TYR 92 -6.411 -4.606 6.749 655 HH TYR 92 HH TYR 92 -9.216 -5.798 8.549 656 H PHE 93 H PHE 93 -4.769 -7.913 9.702 657 HA PHE 93 HA PHE 93 -2.944 -8.818 7.513 658 1HB PHE 93 2HB PHE 93 -3.855 -11.105 7.732 659 2HB PHE 93 1HB PHE 93 -3.039 -10.601 9.214 660 HD1 PHE 93 1HD PHE 93 -4.257 -10.247 11.262 661 HD2 PHE 93 2HD PHE 93 -6.340 -11.116 7.608 662 HE1 PHE 93 1HE PHE 93 -6.346 -10.626 12.544 663 HE2 PHE 93 2HE PHE 93 -8.429 -11.494 8.888 664 HZ PHE 93 HZ PHE 93 -8.432 -11.249 11.357 665 H ALA 94 H ALA 94 -3.969 -9.111 5.516 666 HA ALA 94 HA ALA 94 -6.805 -9.306 5.164 667 1HB ALA 94 1HB ALA 94 -6.127 -6.673 4.069 668 2HB ALA 94 2HB ALA 94 -6.005 -6.720 5.826 669 3HB ALA 94 3HB ALA 94 -7.519 -7.157 5.038 670 H TRP 95 H TRP 95 -4.135 -10.256 4.138 671 HA TRP 95 HA TRP 95 -3.935 -9.323 1.392 672 1HB TRP 95 2HB TRP 95 -2.550 -11.577 1.255 673 2HB TRP 95 1HB TRP 95 -1.906 -10.193 2.137 674 HD1 TRP 95 HD TRP 95 -1.627 -10.396 4.704 675 HE1 TRP 95 1HE TRP 95 -1.962 -12.312 6.395 676 HE3 TRP 95 3HE TRP 95 -4.096 -13.750 1.751 677 HZ2 TRP 95 2HZ TRP 95 -3.126 -14.924 6.481 678 HZ3 TRP 95 3HZ TRP 95 -4.806 -15.942 2.663 679 HH2 TRP 95 HH TRP 95 -4.325 -16.534 5.022 680 H GLU 96 H GLU 96 -4.581 -10.487 -0.497 681 HA GLU 96 HA GLU 96 -7.105 -11.838 -0.292 682 1HB GLU 96 2HB GLU 96 -6.281 -10.563 -2.305 683 2HB GLU 96 1HB GLU 96 -5.185 -11.905 -2.636 684 1HG GLU 96 2HG GLU 96 -7.087 -13.445 -2.810 685 2HG GLU 96 1HG GLU 96 -8.201 -12.134 -2.422 686 H ARG 97 H ARG 97 -3.804 -13.032 -0.944 687 HA ARG 97 HA ARG 97 -4.658 -15.692 0.073 688 1HB ARG 97 2HB ARG 97 -4.784 -15.564 -2.500 689 2HB ARG 97 1HB ARG 97 -3.023 -15.459 -2.459 690 1HG ARG 97 2HG ARG 97 -2.988 -17.568 -1.097 691 2HG ARG 97 1HG ARG 97 -4.730 -17.699 -1.337 692 1HD ARG 97 2HD ARG 97 -2.653 -17.617 -3.546 693 2HD ARG 97 1HD ARG 97 -3.509 -19.058 -2.997 694 HE ARG 97 HE ARG 97 -4.552 -17.112 -4.830 695 1HH1 ARG 97 1HH1 ARG 97 -5.268 -19.882 -3.110 696 2HH1 ARG 97 2HH1 ARG 97 -6.982 -19.644 -3.077 697 1HH2 ARG 97 1HH2 ARG 97 -6.824 -16.427 -4.362 698 2HH2 ARG 97 2HH2 ARG 97 -7.864 -17.686 -3.787 699 H ASN 98 H ASN 98 -2.849 -16.965 0.840 700 HA ASN 98 HA ASN 98 -0.690 -15.316 1.879 701 1HB ASN 98 2HB ASN 98 -1.899 -17.480 2.872 702 2HB ASN 98 1HB ASN 98 -0.586 -18.304 2.032 703 1HD2 ASN 98 1HD2 ASN 98 1.078 -18.703 3.494 704 2HD2 ASN 98 2HD2 ASN 98 1.612 -17.618 4.685 705 HA PRO 99 HA PRO 99 2.052 -15.867 -1.607 706 1HB PRO 99 2HB PRO 99 4.392 -15.834 0.074 707 2HB PRO 99 1HB PRO 99 3.752 -14.536 -0.935 708 1HG PRO 99 2HG PRO 99 3.683 -14.762 1.939 709 2HG PRO 99 1HG PRO 99 3.127 -13.424 0.931 710 1HD PRO 99 2HD PRO 99 1.509 -15.260 2.403 711 2HD PRO 99 1HD PRO 99 0.952 -14.011 1.262 712 H SER 100 H SER 100 2.240 -17.905 1.244 713 HA SER 100 HA SER 100 4.107 -19.832 0.216 714 1HB SER 100 2HB SER 100 3.590 -21.099 2.105 715 2HB SER 100 1HB SER 100 3.143 -19.482 2.642 716 HG SER 100 HG SER 100 1.045 -19.964 2.387 717 H THR 101 H THR 101 0.869 -19.126 -0.620 718 HA THR 101 HA THR 101 0.267 -21.853 -1.569 719 HB THR 101 HB THR 101 -1.855 -20.843 -2.349 720 HG1 THR 101 1HG THR 101 -1.097 -18.436 -1.144 721 1HG2 THR 101 1HG2 THR 101 -1.580 -21.591 0.016 722 2HG2 THR 101 2HG2 THR 101 -2.740 -20.273 -0.153 723 3HG2 THR 101 3HG2 THR 101 -1.116 -19.945 0.449 724 H ILE 102 H ILE 102 2.059 -19.269 -2.693 725 HA ILE 102 HA ILE 102 1.726 -20.181 -5.527 726 HB ILE 102 HB ILE 102 2.294 -17.359 -4.579 727 1HG1 ILE 102 2HG1 ILE 102 -0.174 -18.431 -5.971 728 2HG1 ILE 102 1HG1 ILE 102 -0.068 -18.227 -4.223 729 1HG2 ILE 102 1HG2 ILE 102 3.367 -17.747 -6.694 730 2HG2 ILE 102 2HG2 ILE 102 1.875 -16.871 -7.036 731 3HG2 ILE 102 3HG2 ILE 102 1.961 -18.609 -7.315 732 1HD1 ILE 102 1HD1 ILE 102 -1.117 -16.270 -5.417 733 2HD1 ILE 102 2HD1 ILE 102 0.434 -15.994 -6.210 734 3HD1 ILE 102 3HD1 ILE 102 0.300 -15.847 -4.458 735 H SER 103 H SER 103 3.703 -20.035 -6.797 736 HA SER 103 HA SER 103 6.039 -20.884 -5.390 737 1HB SER 103 2HB SER 103 5.652 -19.840 -8.203 738 2HB SER 103 1HB SER 103 7.193 -20.452 -7.609 739 HG SER 103 HG SER 103 6.200 -22.194 -8.471 740 H SER 104 H SER 104 5.851 -18.923 -3.816 741 HA SER 104 HA SER 104 6.680 -16.849 -3.067 742 1HB SER 104 2HB SER 104 8.773 -18.120 -3.324 743 2HB SER 104 1HB SER 104 8.864 -17.637 -5.015 744 HG SER 104 HG SER 104 9.652 -15.798 -4.393 745 HA PRO 105 HA PRO 105 5.089 -14.577 -6.781 746 1HB PRO 105 2HB PRO 105 3.927 -12.688 -4.943 747 2HB PRO 105 1HB PRO 105 3.101 -13.860 -5.973 748 1HG PRO 105 2HG PRO 105 3.359 -13.932 -3.139 749 2HG PRO 105 1HG PRO 105 2.626 -15.152 -4.182 750 1HD PRO 105 2HD PRO 105 5.166 -15.272 -2.766 751 2HD PRO 105 1HD PRO 105 4.355 -16.561 -3.690 752 H GLY 106 H GLY 106 4.905 -11.740 -6.425 753 1HA GLY 106 2HA GLY 106 7.635 -10.962 -6.772 754 2HA GLY 106 1HA GLY 106 6.289 -9.846 -6.529 755 H HIS 107 H HIS 107 7.245 -8.494 -4.993 756 HA HIS 107 HA HIS 107 7.590 -9.692 -2.303 757 1HB HIS 107 2HB HIS 107 9.663 -7.713 -3.196 758 2HB HIS 107 1HB HIS 107 9.776 -8.973 -1.964 759 HD1 HIS 107 1HD HIS 107 10.665 -11.227 -2.687 760 HD2 HIS 107 2HD HIS 107 9.810 -8.770 -5.929 761 HE1 HIS 107 1HE HIS 107 11.544 -12.398 -4.749 762 H CYS 108 H CYS 108 5.784 -7.760 -3.887 763 HA CYS 108 HA CYS 108 5.690 -5.697 -1.749 764 1HB CYS 108 2HB CYS 108 5.818 -5.184 -4.718 765 2HB CYS 108 1HB CYS 108 5.135 -4.008 -3.596 766 H ALA 109 H ALA 109 3.569 -4.957 -1.318 767 HA ALA 109 HA ALA 109 1.431 -6.570 -2.648 768 1HB ALA 109 1HB ALA 109 0.800 -5.152 -0.122 769 2HB ALA 109 2HB ALA 109 2.002 -6.437 0.009 770 3HB ALA 109 3HB ALA 109 0.398 -6.793 -0.627 771 H SER 110 H SER 110 -0.443 -5.575 -3.335 772 HA SER 110 HA SER 110 -0.610 -2.605 -3.235 773 1HB SER 110 2HB SER 110 -1.437 -3.696 -5.824 774 2HB SER 110 1HB SER 110 -0.347 -2.357 -5.481 775 HG SER 110 HG SER 110 1.159 -3.693 -6.062 776 H LEU 111 H LEU 111 -2.888 -1.910 -3.856 777 HA LEU 111 HA LEU 111 -4.821 -3.832 -2.728 778 1HB LEU 111 2HB LEU 111 -5.175 -0.983 -3.711 779 2HB LEU 111 1HB LEU 111 -6.419 -1.933 -2.912 780 HG LEU 111 HG LEU 111 -3.921 -1.921 -1.381 781 1HD1 LEU 111 1HD1 LEU 111 -4.195 0.470 -0.628 782 2HD1 LEU 111 2HD1 LEU 111 -5.274 0.719 -2.000 783 3HD1 LEU 111 3HD1 LEU 111 -3.583 0.302 -2.272 784 1HD2 LEU 111 1HD2 LEU 111 -5.421 -1.437 0.439 785 2HD2 LEU 111 2HD2 LEU 111 -6.255 -2.571 -0.624 786 3HD2 LEU 111 3HD2 LEU 111 -6.667 -0.857 -0.667 787 H SER 112 H SER 112 -6.697 -4.531 -3.904 788 HA SER 112 HA SER 112 -6.393 -4.383 -6.888 789 1HB SER 112 2HB SER 112 -7.236 -6.607 -7.029 790 2HB SER 112 1HB SER 112 -6.055 -6.643 -5.725 791 HG SER 112 HG SER 112 -7.713 -6.565 -4.250 792 H ARG 113 H ARG 113 -7.968 -3.100 -7.751 793 HA ARG 113 HA ARG 113 -10.257 -2.158 -6.381 794 1HB ARG 113 2HB ARG 113 -9.547 -1.077 -8.427 795 2HB ARG 113 1HB ARG 113 -9.807 -2.554 -9.353 796 1HG ARG 113 2HG ARG 113 -12.191 -2.433 -9.019 797 2HG ARG 113 1HG ARG 113 -12.013 -1.118 -7.857 798 1HD ARG 113 2HD ARG 113 -12.666 -0.097 -9.922 799 2HD ARG 113 1HD ARG 113 -10.944 0.231 -9.737 800 HE ARG 113 HE ARG 113 -10.544 -1.120 -11.630 801 1HH1 ARG 113 1HH2 ARG 113 -13.783 -0.602 -11.518 802 2HH1 ARG 113 2HH2 ARG 113 -14.263 -2.083 -12.276 803 1HH2 ARG 113 1HH1 ARG 113 -11.106 -3.505 -12.095 804 2HH2 ARG 113 2HH1 ARG 113 -12.745 -3.727 -12.603 805 H SER 114 H SER 114 -9.813 -5.119 -8.261 806 HA SER 114 HA SER 114 -12.516 -5.900 -8.534 807 1HB SER 114 2HB SER 114 -11.692 -8.140 -8.836 808 2HB SER 114 1HB SER 114 -10.496 -7.052 -9.531 809 HG SER 114 HG SER 114 -9.124 -7.631 -8.038 810 H THR 115 H THR 115 -10.394 -6.012 -5.734 811 HA THR 115 HA THR 115 -12.476 -7.475 -4.182 812 HB THR 115 HB THR 115 -10.763 -7.758 -2.483 813 HG1 THR 115 1HG THR 115 -9.876 -5.558 -3.162 814 1HG2 THR 115 1HG2 THR 115 -8.953 -8.856 -3.890 815 2HG2 THR 115 2HG2 THR 115 -9.802 -8.243 -5.309 816 3HG2 THR 115 3HG2 THR 115 -10.601 -9.386 -4.229 817 H ALA 116 H ALA 116 -12.675 -4.620 -5.085 818 HA ALA 116 HA ALA 116 -13.384 -2.574 -4.183 819 1HB ALA 116 1HB ALA 116 -14.678 -2.673 -2.200 820 2HB ALA 116 2HB ALA 116 -13.749 -4.030 -1.561 821 3HB ALA 116 3HB ALA 116 -14.856 -4.277 -2.913 822 H PHE 117 H PHE 117 -10.547 -3.521 -3.912 823 HA PHE 117 HA PHE 117 -8.560 -2.742 -2.953 824 1HB PHE 117 2HB PHE 117 -10.236 -0.493 -1.816 825 2HB PHE 117 1HB PHE 117 -8.518 -0.467 -2.210 826 HD1 PHE 117 1HD PHE 117 -7.768 -0.500 -4.579 827 HD2 PHE 117 2HD PHE 117 -11.919 -0.204 -3.518 828 HE1 PHE 117 1HE PHE 117 -8.302 0.257 -6.878 829 HE2 PHE 117 2HE PHE 117 -12.454 0.552 -5.818 830 HZ PHE 117 HZ PHE 117 -10.645 0.783 -7.498 831 H LEU 118 H LEU 118 -10.656 -4.358 -1.372 832 HA LEU 118 HA LEU 118 -9.808 -3.630 1.390 833 1HB LEU 118 2HB LEU 118 -11.990 -5.434 0.317 834 2HB LEU 118 1HB LEU 118 -11.571 -5.346 2.027 835 HG LEU 118 HG LEU 118 -12.434 -2.990 0.321 836 1HD1 LEU 118 1HD1 LEU 118 -14.222 -4.692 0.808 837 2HD1 LEU 118 2HD1 LEU 118 -14.539 -3.105 1.508 838 3HD1 LEU 118 3HD1 LEU 118 -13.944 -4.417 2.528 839 1HD2 LEU 118 1HD2 LEU 118 -11.425 -3.292 3.122 840 2HD2 LEU 118 2HD2 LEU 118 -12.751 -2.159 2.862 841 3HD2 LEU 118 3HD2 LEU 118 -11.232 -1.948 1.996 842 H ARG 119 H ARG 119 -8.369 -5.220 -0.905 843 HA ARG 119 HA ARG 119 -7.302 -7.287 0.941 844 1HB ARG 119 2HB ARG 119 -8.278 -7.841 -1.878 845 2HB ARG 119 1HB ARG 119 -7.322 -8.966 -0.915 846 1HG ARG 119 2HG ARG 119 -9.107 -8.849 0.859 847 2HG ARG 119 1HG ARG 119 -10.084 -7.906 -0.265 848 1HD ARG 119 2HD ARG 119 -9.527 -9.938 -1.900 849 2HD ARG 119 1HD ARG 119 -9.333 -10.800 -0.374 850 HE ARG 119 HE ARG 119 -11.857 -9.642 -1.406 851 1HH1 ARG 119 1HH2 ARG 119 -11.800 -9.087 1.488 852 2HH1 ARG 119 2HH2 ARG 119 -12.440 -10.541 2.178 853 1HH2 ARG 119 1HH1 ARG 119 -11.944 -12.433 -0.686 854 2HH2 ARG 119 2HH1 ARG 119 -12.521 -12.436 0.947 855 H TRP 120 H TRP 120 -5.159 -8.093 0.162 856 HA TRP 120 HA TRP 120 -3.808 -6.026 -1.538 857 1HB TRP 120 2HB TRP 120 -2.434 -7.762 0.516 858 2HB TRP 120 1HB TRP 120 -1.850 -6.271 -0.221 859 HD1 TRP 120 HD TRP 120 -4.344 -4.429 0.156 860 HE1 TRP 120 1HE TRP 120 -5.034 -3.642 2.512 861 HE3 TRP 120 3HE TRP 120 -2.065 -8.017 2.981 862 HZ2 TRP 120 2HZ TRP 120 -4.665 -4.435 5.238 863 HZ3 TRP 120 3HZ TRP 120 -2.250 -7.980 5.450 864 HH2 TRP 120 HH TRP 120 -3.547 -6.197 6.582 865 H LYS 121 H LYS 121 -2.696 -6.730 -3.302 866 HA LYS 121 HA LYS 121 -2.370 -9.689 -3.659 867 1HB LYS 121 2HB LYS 121 -4.032 -8.429 -5.191 868 2HB LYS 121 1HB LYS 121 -2.603 -7.694 -5.914 869 1HG LYS 121 2HG LYS 121 -2.826 -9.551 -7.284 870 2HG LYS 121 1HG LYS 121 -1.779 -10.224 -6.034 871 1HD LYS 121 2HD LYS 121 -3.851 -11.022 -4.838 872 2HD LYS 121 1HD LYS 121 -4.790 -10.506 -6.239 873 1HE LYS 121 2HE LYS 121 -4.308 -12.869 -6.484 874 2HE LYS 121 1HE LYS 121 -3.347 -11.985 -7.669 875 1HZ LYS 121 1HZ LYS 121 -2.026 -12.267 -5.142 876 2HZ LYS 121 2HZ LYS 121 -1.461 -12.615 -6.706 877 3HZ LYS 121 3HZ LYS 121 -2.385 -13.762 -5.859 878 H ASP 122 H ASP 122 -0.389 -10.408 -4.461 879 HA ASP 122 HA ASP 122 1.848 -8.662 -3.930 880 1HB ASP 122 2HB ASP 122 2.035 -11.282 -5.414 881 2HB ASP 122 1HB ASP 122 3.220 -10.546 -4.334 882 H TYR 123 H TYR 123 3.359 -7.812 -5.460 883 HA TYR 123 HA TYR 123 2.822 -8.163 -8.334 884 1HB TYR 123 2HB TYR 123 1.862 -5.848 -6.818 885 2HB TYR 123 1HB TYR 123 2.917 -5.375 -8.148 886 HD1 TYR 123 1HD TYR 123 2.323 -5.853 -10.471 887 HD2 TYR 123 2HD TYR 123 -0.254 -7.004 -7.232 888 HE1 TYR 123 1HE TYR 123 0.480 -6.257 -12.081 889 HE2 TYR 123 2HE TYR 123 -2.097 -7.408 -8.842 890 HH TYR 123 HH TYR 123 -1.563 -7.337 -12.301 891 H ASN 124 H ASN 124 4.548 -7.195 -9.654 892 HA ASN 124 HA ASN 124 7.149 -7.547 -8.557 893 1HB ASN 124 2HB ASN 124 6.545 -5.801 -10.950 894 2HB ASN 124 1HB ASN 124 7.979 -6.783 -10.652 895 1HD2 ASN 124 1HD2 ASN 124 7.296 -9.273 -10.246 896 2HD2 ASN 124 2HD2 ASN 124 6.193 -9.887 -11.379 897 H CYS 125 H CYS 125 8.069 -6.274 -7.043 898 HA CYS 125 HA CYS 125 7.220 -3.798 -6.112 899 1HB CYS 125 2HB CYS 125 10.037 -4.894 -6.270 900 2HB CYS 125 1HB CYS 125 9.592 -3.464 -5.340 901 H ASN 126 H ASN 126 8.422 -4.330 -9.234 902 HA ASN 126 HA ASN 126 9.517 -1.567 -9.422 903 1HB ASN 126 2HB ASN 126 10.230 -2.312 -11.725 904 2HB ASN 126 1HB ASN 126 10.938 -3.252 -10.410 905 1HD2 ASN 126 1HD2 ASN 126 10.804 -5.472 -10.724 906 2HD2 ASN 126 2HD2 ASN 126 9.614 -6.259 -11.643 907 H VAL 127 H VAL 127 6.826 -3.545 -10.631 908 HA VAL 127 HA VAL 127 5.924 -1.822 -12.697 909 HB VAL 127 HB VAL 127 4.451 -3.621 -10.757 910 1HG1 VAL 127 1HG1 VAL 127 2.814 -1.950 -11.193 911 2HG1 VAL 127 2HG1 VAL 127 2.465 -3.237 -12.346 912 3HG1 VAL 127 3HG1 VAL 127 3.317 -1.784 -12.874 913 1HG2 VAL 127 1HG2 VAL 127 4.245 -5.073 -12.625 914 2HG2 VAL 127 2HG2 VAL 127 5.894 -4.453 -12.729 915 3HG2 VAL 127 3HG2 VAL 127 4.635 -3.789 -13.769 916 H ARG 128 H ARG 128 5.004 0.263 -12.597 917 HA ARG 128 HA ARG 128 4.947 1.479 -9.931 918 1HB ARG 128 2HB ARG 128 4.272 2.817 -12.545 919 2HB ARG 128 1HB ARG 128 4.954 3.539 -11.094 920 1HG ARG 128 2HG ARG 128 6.972 2.007 -11.459 921 2HG ARG 128 1HG ARG 128 6.312 1.706 -13.066 922 1HD ARG 128 2HD ARG 128 6.211 4.293 -13.274 923 2HD ARG 128 1HD ARG 128 7.319 4.298 -11.902 924 HE ARG 128 HE ARG 128 9.018 3.418 -13.317 925 1HH1 ARG 128 1HH2 ARG 128 6.006 2.549 -14.634 926 2HH1 ARG 128 2HH2 ARG 128 6.549 2.552 -16.279 927 1HH2 ARG 128 1HH1 ARG 128 9.695 3.796 -15.517 928 2HH2 ARG 128 2HH1 ARG 128 8.638 3.256 -16.780 929 H LEU 129 H LEU 129 3.010 2.442 -8.968 930 HA LEU 129 HA LEU 129 0.534 1.968 -10.592 931 1HB LEU 129 2HB LEU 129 1.204 0.702 -7.947 932 2HB LEU 129 1HB LEU 129 -0.471 1.042 -8.345 933 HG LEU 129 HG LEU 129 0.777 -0.231 -10.614 934 1HD1 LEU 129 1HD1 LEU 129 1.074 -1.668 -7.962 935 2HD1 LEU 129 2HD1 LEU 129 2.379 -1.195 -9.048 936 3HD1 LEU 129 3HD1 LEU 129 1.229 -2.438 -9.540 937 1HD2 LEU 129 1HD2 LEU 129 -1.348 -1.072 -8.628 938 2HD2 LEU 129 2HD2 LEU 129 -1.018 -1.900 -10.150 939 3HD2 LEU 129 3HD2 LEU 129 -1.611 -0.239 -10.160 940 HA PRO 130 HA PRO 130 -0.682 5.783 -8.699 941 1HB PRO 130 2HB PRO 130 -3.348 4.898 -8.005 942 2HB PRO 130 1HB PRO 130 -2.874 5.941 -9.349 943 1HG PRO 130 2HG PRO 130 -3.724 3.177 -9.441 944 2HG PRO 130 1HG PRO 130 -3.354 4.257 -10.790 945 1HD PRO 130 2HD PRO 130 -1.805 2.030 -9.909 946 2HD PRO 130 1HD PRO 130 -1.339 3.235 -11.134 947 H TYR 131 H TYR 131 -0.336 6.350 -6.422 948 HA TYR 131 HA TYR 131 -0.989 4.159 -4.481 949 1HB TYR 131 2HB TYR 131 1.217 4.412 -3.459 950 2HB TYR 131 1HB TYR 131 1.372 4.004 -5.167 951 HD1 TYR 131 1HD TYR 131 1.935 5.753 -6.841 952 HD2 TYR 131 2HD TYR 131 1.919 6.559 -2.625 953 HE1 TYR 131 1HE TYR 131 3.219 7.837 -7.234 954 HE2 TYR 131 2HE TYR 131 3.208 8.642 -3.020 955 HH TYR 131 HH TYR 131 4.684 9.601 -4.689 956 H VAL 132 H VAL 132 -0.297 4.948 -2.161 957 HA VAL 132 HA VAL 132 -1.211 7.784 -1.796 958 HB VAL 132 HB VAL 132 -2.019 5.360 -0.150 959 1HG1 VAL 132 1HG1 VAL 132 -1.704 7.353 1.261 960 2HG1 VAL 132 2HG1 VAL 132 -3.417 6.990 1.096 961 3HG1 VAL 132 3HG1 VAL 132 -2.703 8.302 0.162 962 1HG2 VAL 132 1HG2 VAL 132 -4.214 5.684 -1.020 963 2HG2 VAL 132 2HG2 VAL 132 -3.142 5.772 -2.418 964 3HG2 VAL 132 3HG2 VAL 132 -3.789 7.252 -1.707 965 H CYS 133 H CYS 133 -0.383 8.700 0.303 966 HA CYS 133 HA CYS 133 1.751 7.133 1.606 967 1HB CYS 133 2HB CYS 133 2.302 9.594 -0.056 968 2HB CYS 133 1HB CYS 133 3.403 9.045 1.211 969 H LYS 134 H LYS 134 2.276 7.902 3.656 970 HA LYS 134 HA LYS 134 0.467 10.033 4.695 971 1HB LYS 134 2HB LYS 134 0.536 8.947 6.748 972 2HB LYS 134 1HB LYS 134 0.767 7.576 5.667 973 1HG LYS 134 2HG LYS 134 3.292 8.042 5.903 974 2HG LYS 134 1HG LYS 134 2.849 9.053 7.278 975 1HD LYS 134 2HD LYS 134 1.528 7.011 8.131 976 2HD LYS 134 1HD LYS 134 2.430 6.082 6.934 977 1HE LYS 134 2HE LYS 134 4.553 6.872 7.929 978 2HE LYS 134 1HE LYS 134 3.643 7.774 9.140 979 1HZ LYS 134 1HZ LYS 134 3.539 5.943 10.350 980 2HZ LYS 134 2HZ LYS 134 4.360 5.060 9.154 981 3HZ LYS 134 3HZ LYS 134 2.666 5.167 9.122 982 H PHE 135 H PHE 135 1.400 11.677 6.143 983 HA PHE 135 HA PHE 135 4.225 11.947 6.586 984 1HB PHE 135 2HB PHE 135 4.678 13.790 4.942 985 2HB PHE 135 1HB PHE 135 4.425 12.220 4.180 986 HD1 PHE 135 1HD PHE 135 2.426 11.752 2.873 987 HD2 PHE 135 2HD PHE 135 2.942 15.536 4.841 988 HE1 PHE 135 1HE PHE 135 0.539 12.688 1.567 989 HE2 PHE 135 2HE PHE 135 1.055 16.473 3.532 990 HZ PHE 135 HZ PHE 135 -0.146 15.049 1.894 991 H THR 136 H THR 136 4.407 13.423 8.223 992 HA THR 136 HA THR 136 2.117 14.958 9.088 993 HB THR 136 HB THR 136 4.041 16.090 10.530 994 HG1 THR 136 1HG THR 136 5.864 15.371 9.725 995 1HG2 THR 136 1HG2 THR 136 2.509 14.710 11.656 996 2HG2 THR 136 2HG2 THR 136 4.053 13.906 11.940 997 3HG2 THR 136 3HG2 THR 136 2.951 13.289 10.711 998 H ASP 137 H ASP 137 5.116 16.711 8.989 999 HA ASP 137 HA ASP 137 4.594 18.203 6.574 1000 1HB ASP 137 2HB ASP 137 2.733 19.064 7.973 1001 2HB ASP 137 1HB ASP 137 3.904 19.572 9.192 Start of MODEL 20 1 1H ARG 1 1HT ARG 1 -6.114 17.667 11.026 2 2H ARG 1 2HT ARG 1 -5.617 18.862 12.125 3 3H ARG 1 3HT ARG 1 -4.464 17.876 11.363 4 HA ARG 1 HA ARG 1 -6.261 19.571 9.756 5 1HB ARG 1 2HB ARG 1 -3.875 20.385 11.391 6 2HB ARG 1 1HB ARG 1 -4.139 21.151 9.824 7 1HG ARG 1 2HG ARG 1 -6.149 22.132 10.487 8 2HG ARG 1 1HG ARG 1 -6.429 20.943 11.758 9 1HD ARG 1 2HD ARG 1 -4.700 21.906 13.141 10 2HD ARG 1 1HD ARG 1 -4.182 22.972 11.835 11 HE ARG 1 HE ARG 1 -6.522 23.372 13.561 12 1HH1 ARG 1 1HH1 ARG 1 -7.444 23.655 10.713 13 2HH1 ARG 1 2HH1 ARG 1 -7.156 25.335 10.410 14 1HH2 ARG 1 1HH2 ARG 1 -5.050 25.740 13.134 15 2HH2 ARG 1 2HH2 ARG 1 -5.802 26.516 11.781 16 H CYS 2 H CYS 2 -5.817 19.148 7.651 17 HA CYS 2 HA CYS 2 -3.114 18.336 6.847 18 1HB CYS 2 2HB CYS 2 -5.531 16.553 6.734 19 2HB CYS 2 1HB CYS 2 -4.283 16.397 5.502 20 HA PRO 3 HA PRO 3 -3.993 20.779 3.277 21 1HB PRO 3 2HB PRO 3 -3.094 18.811 1.370 22 2HB PRO 3 1HB PRO 3 -2.244 20.245 1.950 23 1HG PRO 3 2HG PRO 3 -1.796 17.459 2.651 24 2HG PRO 3 1HG PRO 3 -0.817 18.875 3.054 25 1HD PRO 3 2HD PRO 3 -2.383 17.382 4.860 26 2HD PRO 3 1HD PRO 3 -1.696 18.993 5.165 27 H LYS 4 H LYS 4 -5.356 20.826 1.312 28 HA LYS 4 HA LYS 4 -7.803 19.366 1.637 29 1HB LYS 4 2HB LYS 4 -6.791 21.141 -0.595 30 2HB LYS 4 1HB LYS 4 -8.427 20.482 -0.529 31 1HG LYS 4 2HG LYS 4 -8.775 21.588 1.658 32 2HG LYS 4 1HG LYS 4 -7.153 22.272 1.564 33 1HD LYS 4 2HD LYS 4 -9.100 22.727 -0.688 34 2HD LYS 4 1HD LYS 4 -9.204 23.712 0.771 35 1HE LYS 4 2HE LYS 4 -6.788 24.296 0.501 36 2HE LYS 4 1HE LYS 4 -6.777 23.407 -1.022 37 1HZ LYS 4 1HZ LYS 4 -8.810 24.921 -1.531 38 2HZ LYS 4 2HZ LYS 4 -7.231 25.515 -1.735 39 3HZ LYS 4 3HZ LYS 4 -8.125 25.926 -0.349 40 H GLY 5 H GLY 5 -8.633 17.720 0.279 41 1HA GLY 5 2HA GLY 5 -8.540 15.981 -1.325 42 2HA GLY 5 1HA GLY 5 -7.010 16.653 -1.910 43 H SER 6 H SER 6 -6.334 16.786 1.113 44 HA SER 6 HA SER 6 -5.251 13.989 1.230 45 1HB SER 6 2HB SER 6 -3.366 15.264 1.543 46 2HB SER 6 1HB SER 6 -4.276 16.649 2.132 47 HG SER 6 HG SER 6 -2.988 14.785 3.527 48 H LYS 7 H LYS 7 -5.672 12.696 3.046 49 HA LYS 7 HA LYS 7 -7.674 13.814 4.985 50 1HB LYS 7 2HB LYS 7 -7.382 10.875 4.369 51 2HB LYS 7 1HB LYS 7 -8.770 11.730 5.042 52 1HG LYS 7 2HG LYS 7 -7.736 12.092 2.213 53 2HG LYS 7 1HG LYS 7 -9.106 11.077 2.657 54 1HD LYS 7 2HD LYS 7 -10.184 13.107 3.689 55 2HD LYS 7 1HD LYS 7 -8.877 14.076 3.008 56 1HE LYS 7 2HE LYS 7 -10.861 14.077 1.530 57 2HE LYS 7 1HE LYS 7 -9.473 13.323 0.745 58 1HZ LYS 7 1HZ LYS 7 -11.272 11.609 2.287 59 2HZ LYS 7 2HZ LYS 7 -10.393 11.267 0.875 60 3HZ LYS 7 3HZ LYS 7 -11.825 12.178 0.788 61 H ALA 8 H ALA 8 -7.063 13.775 7.107 62 HA ALA 8 HA ALA 8 -4.436 12.655 7.785 63 1HB ALA 8 1HB ALA 8 -5.748 14.839 8.690 64 2HB ALA 8 2HB ALA 8 -4.513 14.008 9.637 65 3HB ALA 8 3HB ALA 8 -6.221 13.683 9.934 66 H TYR 9 H TYR 9 -4.077 10.910 9.181 67 HA TYR 9 HA TYR 9 -6.302 9.556 10.500 68 1HB TYR 9 2HB TYR 9 -6.074 8.864 7.904 69 2HB TYR 9 1HB TYR 9 -4.868 7.770 8.581 70 HD1 TYR 9 1HD TYR 9 -8.436 8.707 8.563 71 HD2 TYR 9 2HD TYR 9 -5.500 5.977 10.102 72 HE1 TYR 9 1HE TYR 9 -10.246 7.207 9.353 73 HE2 TYR 9 2HE TYR 9 -7.309 4.478 10.894 74 HH TYR 9 HH TYR 9 -10.700 5.127 10.127 75 H GLY 10 H GLY 10 -5.507 8.431 12.254 76 1HA GLY 10 2HA GLY 10 -3.932 7.463 13.709 77 2HA GLY 10 1HA GLY 10 -2.879 7.232 12.310 78 H SER 11 H SER 11 -1.884 9.372 11.467 79 HA SER 11 HA SER 11 -1.637 11.669 13.109 80 1HB SER 11 2HB SER 11 0.784 11.100 13.918 81 2HB SER 11 1HB SER 11 -0.583 10.484 14.839 82 HG SER 11 HG SER 11 0.513 8.680 14.502 83 H HIS 12 H HIS 12 -1.706 10.966 10.298 84 HA HIS 12 HA HIS 12 0.612 12.522 9.410 85 1HB HIS 12 2HB HIS 12 0.096 9.741 8.313 86 2HB HIS 12 1HB HIS 12 1.353 10.854 7.784 87 HD1 HIS 12 1HD HIS 12 3.482 10.989 9.171 88 HD2 HIS 12 2HD HIS 12 0.535 8.652 10.968 89 HE1 HIS 12 1HE HIS 12 4.586 9.832 11.136 90 H CYS 13 H CYS 13 0.221 13.428 7.297 91 HA CYS 13 HA CYS 13 -2.641 13.510 6.597 92 1HB CYS 13 2HB CYS 13 -0.220 14.951 5.479 93 2HB CYS 13 1HB CYS 13 -1.861 15.192 4.890 94 H TYR 14 H TYR 14 -3.508 12.244 5.030 95 HA TYR 14 HA TYR 14 -1.687 10.566 3.428 96 1HB TYR 14 2HB TYR 14 -4.691 10.577 3.809 97 2HB TYR 14 1HB TYR 14 -3.877 9.511 2.668 98 HD1 TYR 14 1HD TYR 14 -3.297 10.625 6.225 99 HD2 TYR 14 2HD TYR 14 -3.553 7.350 3.454 100 HE1 TYR 14 1HE TYR 14 -2.793 9.037 8.055 101 HE2 TYR 14 2HE TYR 14 -3.052 5.764 5.292 102 HH TYR 14 HH TYR 14 -1.762 6.657 8.191 103 H ALA 15 H ALA 15 -1.958 10.412 1.077 104 HA ALA 15 HA ALA 15 -3.472 12.541 -0.270 105 1HB ALA 15 1HB ALA 15 -1.466 13.784 0.228 106 2HB ALA 15 2HB ALA 15 -1.396 13.345 -1.478 107 3HB ALA 15 3HB ALA 15 -0.442 12.449 -0.296 108 H LEU 16 H LEU 16 -4.248 11.687 -2.124 109 HA LEU 16 HA LEU 16 -3.082 9.141 -3.108 110 1HB LEU 16 2HB LEU 16 -5.463 9.075 -2.782 111 2HB LEU 16 1HB LEU 16 -5.686 10.587 -3.660 112 HG LEU 16 HG LEU 16 -4.966 9.524 -5.739 113 1HD1 LEU 16 1HD1 LEU 16 -3.349 7.926 -5.104 114 2HD1 LEU 16 2HD1 LEU 16 -4.716 6.939 -5.615 115 3HD1 LEU 16 3HD1 LEU 16 -4.409 7.201 -3.900 116 1HD2 LEU 16 1HD2 LEU 16 -7.082 8.066 -4.148 117 2HD2 LEU 16 2HD2 LEU 16 -6.788 7.723 -5.853 118 3HD2 LEU 16 3HD2 LEU 16 -7.310 9.332 -5.354 119 H PHE 17 H PHE 17 -1.962 9.038 -5.014 120 HA PHE 17 HA PHE 17 -1.992 11.432 -6.798 121 1HB PHE 17 2HB PHE 17 0.311 9.698 -5.876 122 2HB PHE 17 1HB PHE 17 0.411 10.665 -7.347 123 HD1 PHE 17 1HD PHE 17 0.401 13.112 -7.260 124 HD2 PHE 17 2HD PHE 17 0.190 10.754 -3.676 125 HE1 PHE 17 1HE PHE 17 0.929 15.123 -5.906 126 HE2 PHE 17 2HE PHE 17 0.719 12.764 -2.323 127 HZ PHE 17 HZ PHE 17 1.088 14.948 -3.438 128 H LEU 18 H LEU 18 -2.998 10.806 -8.632 129 HA LEU 18 HA LEU 18 -3.319 8.031 -9.372 130 1HB LEU 18 2HB LEU 18 -3.680 10.347 -11.276 131 2HB LEU 18 1HB LEU 18 -4.583 8.833 -11.200 132 HG LEU 18 HG LEU 18 -4.698 11.126 -9.223 133 1HD1 LEU 18 1HD1 LEU 18 -7.126 11.061 -9.881 134 2HD1 LEU 18 2HD1 LEU 18 -6.707 9.875 -11.117 135 3HD1 LEU 18 3HD1 LEU 18 -6.045 11.509 -11.200 136 1HD2 LEU 18 1HD2 LEU 18 -5.871 8.334 -9.115 137 2HD2 LEU 18 2HD2 LEU 18 -6.455 9.664 -8.114 138 3HD2 LEU 18 3HD2 LEU 18 -4.798 9.090 -7.939 139 H SER 19 H SER 19 -0.632 9.639 -9.180 140 HA SER 19 HA SER 19 0.417 9.098 -11.891 141 1HB SER 19 2HB SER 19 2.498 9.816 -10.060 142 2HB SER 19 1HB SER 19 1.859 10.738 -11.417 143 HG SER 19 HG SER 19 1.472 11.921 -9.583 144 HA PRO 20 HA PRO 20 1.598 4.974 -10.523 145 1HB PRO 20 2HB PRO 20 3.269 4.710 -12.842 146 2HB PRO 20 1HB PRO 20 1.670 4.015 -12.566 147 1HG PRO 20 2HG PRO 20 2.385 6.160 -14.336 148 2HG PRO 20 1HG PRO 20 0.789 5.454 -14.072 149 1HD PRO 20 2HD PRO 20 1.750 8.032 -13.235 150 2HD PRO 20 1HD PRO 20 0.138 7.317 -12.966 151 H LYS 21 H LYS 21 3.503 4.043 -9.563 152 HA LYS 21 HA LYS 21 6.123 5.258 -10.014 153 1HB LYS 21 2HB LYS 21 4.575 5.802 -7.479 154 2HB LYS 21 1HB LYS 21 6.339 5.817 -7.493 155 1HG LYS 21 2HG LYS 21 6.044 7.431 -9.547 156 2HG LYS 21 1HG LYS 21 4.420 7.660 -8.898 157 1HD LYS 21 2HD LYS 21 5.342 8.352 -6.742 158 2HD LYS 21 1HD LYS 21 6.980 8.048 -7.322 159 1HE LYS 21 2HE LYS 21 6.139 10.486 -7.405 160 2HE LYS 21 1HE LYS 21 6.893 9.842 -8.864 161 1HZ LYS 21 1HZ LYS 21 4.657 9.291 -9.683 162 2HZ LYS 21 2HZ LYS 21 4.866 10.959 -9.437 163 3HZ LYS 21 3HZ LYS 21 3.983 10.038 -8.317 164 H SER 22 H SER 22 7.604 3.646 -9.746 165 HA SER 22 HA SER 22 7.017 1.004 -9.076 166 1HB SER 22 2HB SER 22 9.635 2.375 -8.433 167 2HB SER 22 1HB SER 22 9.385 0.664 -8.754 168 HG SER 22 HG SER 22 9.455 2.839 -10.489 169 H TRP 23 H TRP 23 7.012 -0.205 -7.131 170 HA TRP 23 HA TRP 23 6.114 1.065 -4.770 171 1HB TRP 23 2HB TRP 23 5.839 -1.343 -5.084 172 2HB TRP 23 1HB TRP 23 7.585 -1.573 -5.086 173 HD1 TRP 23 HD TRP 23 4.631 -1.147 -2.803 174 HE1 TRP 23 1HE TRP 23 5.398 -1.327 -0.349 175 HE3 TRP 23 3HE TRP 23 9.694 -1.045 -3.455 176 HZ2 TRP 23 2HZ TRP 23 7.839 -1.415 1.140 177 HZ3 TRP 23 3HZ TRP 23 11.216 -1.179 -1.503 178 HH2 TRP 23 HH TRP 23 10.295 -1.364 0.793 179 H THR 24 H THR 24 9.290 0.668 -6.059 180 HA THR 24 HA THR 24 10.600 1.376 -3.507 181 HB THR 24 HB THR 24 11.532 -0.326 -5.140 182 HG1 THR 24 1HG THR 24 13.158 0.223 -3.939 183 1HG2 THR 24 1HG2 THR 24 10.986 1.097 -7.155 184 2HG2 THR 24 2HG2 THR 24 12.616 0.433 -7.135 185 3HG2 THR 24 3HG2 THR 24 12.347 2.124 -6.711 186 H ASP 25 H ASP 25 9.400 2.859 -6.335 187 HA ASP 25 HA ASP 25 11.084 5.267 -6.098 188 1HB ASP 25 2HB ASP 25 8.836 4.456 -7.952 189 2HB ASP 25 1HB ASP 25 9.480 6.098 -7.934 190 H ALA 26 H ALA 26 7.705 4.286 -5.527 191 HA ALA 26 HA ALA 26 6.930 6.926 -4.597 192 1HB ALA 26 1HB ALA 26 4.844 5.918 -4.082 193 2HB ALA 26 2HB ALA 26 5.575 4.322 -3.905 194 3HB ALA 26 3HB ALA 26 5.408 5.040 -5.500 195 H ASP 27 H ASP 27 8.256 3.979 -3.266 196 HA ASP 27 HA ASP 27 7.861 4.517 -0.495 197 1HB ASP 27 2HB ASP 27 8.564 2.330 -1.260 198 2HB ASP 27 1HB ASP 27 10.023 3.008 -1.982 199 H LEU 28 H LEU 28 10.482 5.392 -2.735 200 HA LEU 28 HA LEU 28 12.056 6.733 -0.702 201 1HB LEU 28 2HB LEU 28 12.681 5.811 -3.132 202 2HB LEU 28 1HB LEU 28 12.305 7.469 -3.595 203 HG LEU 28 HG LEU 28 14.318 6.598 -1.500 204 1HD1 LEU 28 1HD1 LEU 28 14.547 7.822 -4.261 205 2HD1 LEU 28 2HD1 LEU 28 15.213 6.288 -3.704 206 3HD1 LEU 28 3HD1 LEU 28 15.880 7.807 -3.106 207 1HD2 LEU 28 1HD2 LEU 28 14.840 9.142 -1.609 208 2HD2 LEU 28 2HD2 LEU 28 13.433 8.630 -0.678 209 3HD2 LEU 28 3HD2 LEU 28 13.224 9.298 -2.298 210 H ALA 29 H ALA 29 9.897 7.894 -3.309 211 HA ALA 29 HA ALA 29 10.167 10.671 -2.701 212 1HB ALA 29 1HB ALA 29 9.189 10.023 -4.798 213 2HB ALA 29 2HB ALA 29 7.943 10.874 -3.884 214 3HB ALA 29 3HB ALA 29 7.916 9.113 -3.986 215 H CYS 30 H CYS 30 7.525 8.408 -1.750 216 HA CYS 30 HA CYS 30 6.228 10.300 -0.052 217 1HB CYS 30 2HB CYS 30 5.242 8.122 -0.855 218 2HB CYS 30 1HB CYS 30 6.275 7.290 0.306 219 H GLN 31 H GLN 31 9.119 8.444 0.311 220 HA GLN 31 HA GLN 31 9.195 8.674 3.233 221 1HB GLN 31 2HB GLN 31 10.363 6.788 2.263 222 2HB GLN 31 1HB GLN 31 11.271 7.845 1.186 223 1HG GLN 31 2HG GLN 31 12.512 8.785 2.996 224 2HG GLN 31 1HG GLN 31 11.429 8.080 4.196 225 1HE2 GLN 31 1HE2 GLN 31 13.262 6.764 1.366 226 2HE2 GLN 31 2HE2 GLN 31 13.933 5.462 2.226 227 H LYS 32 H LYS 32 10.337 10.398 0.419 228 HA LYS 32 HA LYS 32 12.189 12.127 1.725 229 1HB LYS 32 2HB LYS 32 12.179 11.916 -0.699 230 2HB LYS 32 1HB LYS 32 10.521 12.510 -0.774 231 1HG LYS 32 2HG LYS 32 11.137 14.701 -0.231 232 2HG LYS 32 1HG LYS 32 12.654 14.195 0.511 233 1HD LYS 32 2HD LYS 32 13.038 15.274 -1.686 234 2HD LYS 32 1HD LYS 32 13.551 13.585 -1.696 235 1HE LYS 32 2HE LYS 32 11.519 12.908 -2.825 236 2HE LYS 32 1HE LYS 32 10.837 14.525 -2.664 237 1HZ LYS 32 1HZ LYS 32 13.267 13.810 -4.213 238 2HZ LYS 32 2HZ LYS 32 12.628 15.376 -4.048 239 3HZ LYS 32 3HZ LYS 32 11.748 14.177 -4.868 240 H ARG 33 H ARG 33 8.939 11.769 2.206 241 HA ARG 33 HA ARG 33 8.338 14.623 2.668 242 1HB ARG 33 2HB ARG 33 6.794 12.095 2.476 243 2HB ARG 33 1HB ARG 33 6.140 13.311 3.568 244 1HG ARG 33 2HG ARG 33 5.184 13.643 1.354 245 2HG ARG 33 1HG ARG 33 6.277 14.982 1.701 246 1HD ARG 33 2HD ARG 33 8.079 13.747 0.454 247 2HD ARG 33 1HD ARG 33 6.869 12.551 -0.009 248 HE ARG 33 HE ARG 33 6.070 14.087 -1.605 249 1HH1 ARG 33 1HH2 ARG 33 8.861 15.392 -1.193 250 2HH1 ARG 33 2HH2 ARG 33 8.400 17.055 -1.055 251 1HH2 ARG 33 1HH1 ARG 33 5.042 16.356 -0.545 252 2HH2 ARG 33 2HH1 ARG 33 6.237 17.601 -0.687 253 HA PRO 34 HA PRO 34 9.204 14.891 6.961 254 1HB PRO 34 2HB PRO 34 6.485 15.347 7.832 255 2HB PRO 34 1HB PRO 34 7.788 16.523 7.650 256 1HG PRO 34 2HG PRO 34 5.503 16.033 5.898 257 2HG PRO 34 1HG PRO 34 6.639 17.387 5.891 258 1HD PRO 34 2HD PRO 34 6.519 15.395 3.942 259 2HD PRO 34 1HD PRO 34 7.930 16.438 4.236 260 H SER 35 H SER 35 9.618 12.538 6.923 261 HA SER 35 HA SER 35 9.387 10.432 7.904 262 1HB SER 35 2HB SER 35 8.298 10.311 9.947 263 2HB SER 35 1HB SER 35 8.443 12.060 9.803 264 HG SER 35 HG SER 35 6.344 11.961 10.014 265 H GLY 36 H GLY 36 7.671 11.578 5.574 266 1HA GLY 36 2HA GLY 36 5.235 10.023 5.636 267 2HA GLY 36 1HA GLY 36 5.923 10.787 4.204 268 H ASN 37 H ASN 37 4.976 8.523 3.494 269 HA ASN 37 HA ASN 37 6.943 6.898 2.424 270 1HB ASN 37 2HB ASN 37 6.559 6.364 5.309 271 2HB ASN 37 1HB ASN 37 6.431 4.929 4.297 272 1HD2 ASN 37 1HD2 ASN 37 8.674 6.866 5.916 273 2HD2 ASN 37 2HD2 ASN 37 10.068 6.403 5.067 274 H LEU 38 H LEU 38 5.939 5.270 1.151 275 HA LEU 38 HA LEU 38 3.433 5.293 0.271 276 1HB LEU 38 2HB LEU 38 4.971 2.846 1.124 277 2HB LEU 38 1HB LEU 38 3.423 2.719 0.294 278 HG LEU 38 HG LEU 38 5.703 4.376 -0.778 279 1HD1 LEU 38 1HD1 LEU 38 6.313 2.509 -2.203 280 2HD1 LEU 38 2HD1 LEU 38 5.001 1.530 -1.548 281 3HD1 LEU 38 3HD1 LEU 38 6.370 1.967 -0.525 282 1HD2 LEU 38 1HD2 LEU 38 4.135 4.976 -2.259 283 2HD2 LEU 38 2HD2 LEU 38 2.962 3.886 -1.533 284 3HD2 LEU 38 3HD2 LEU 38 4.039 3.302 -2.797 285 H VAL 39 H VAL 39 1.377 5.133 1.001 286 HA VAL 39 HA VAL 39 0.483 5.503 3.519 287 HB VAL 39 HB VAL 39 -1.148 5.438 1.842 288 1HG1 VAL 39 1HG1 VAL 39 -1.622 3.304 0.564 289 2HG1 VAL 39 2HG1 VAL 39 -0.165 2.627 1.292 290 3HG1 VAL 39 3HG1 VAL 39 -0.050 4.028 0.228 291 1HG2 VAL 39 1HG2 VAL 39 -1.748 4.310 4.115 292 2HG2 VAL 39 2HG2 VAL 39 -1.744 2.808 3.195 293 3HG2 VAL 39 3HG2 VAL 39 -2.860 4.103 2.763 294 H SER 40 H SER 40 -0.151 4.296 5.320 295 HA SER 40 HA SER 40 1.135 1.600 5.571 296 1HB SER 40 2HB SER 40 0.836 2.238 8.110 297 2HB SER 40 1HB SER 40 2.166 2.933 7.189 298 HG SER 40 HG SER 40 0.276 4.557 6.711 299 H VAL 41 H VAL 41 -0.077 0.093 7.112 300 HA VAL 41 HA VAL 41 -2.955 0.651 7.437 301 HB VAL 41 HB VAL 41 -2.445 -1.940 6.062 302 1HG1 VAL 41 1HG1 VAL 41 -4.499 0.194 5.474 303 2HG1 VAL 41 2HG1 VAL 41 -4.687 -0.959 6.794 304 3HG1 VAL 41 3HG1 VAL 41 -4.593 -1.533 5.131 305 1HG2 VAL 41 1HG2 VAL 41 -0.999 -0.326 4.778 306 2HG2 VAL 41 2HG2 VAL 41 -2.433 0.657 4.492 307 3HG2 VAL 41 3HG2 VAL 41 -2.340 -0.973 3.836 308 H LEU 42 H LEU 42 -2.593 0.318 9.705 309 HA LEU 42 HA LEU 42 -1.759 -2.461 10.477 310 1HB LEU 42 2HB LEU 42 -1.526 0.170 11.943 311 2HB LEU 42 1HB LEU 42 -1.334 -1.384 12.751 312 HG LEU 42 HG LEU 42 0.279 -0.456 10.366 313 1HD1 LEU 42 1HD1 LEU 42 1.767 -0.907 12.820 314 2HD1 LEU 42 2HD1 LEU 42 0.497 0.285 13.088 315 3HD1 LEU 42 3HD1 LEU 42 1.689 0.545 11.820 316 1HD2 LEU 42 1HD2 LEU 42 1.674 -2.505 11.514 317 2HD2 LEU 42 2HD2 LEU 42 0.539 -2.728 10.187 318 3HD2 LEU 42 3HD2 LEU 42 0.022 -3.024 11.842 319 H SER 43 H SER 43 -4.567 -0.996 9.927 320 HA SER 43 HA SER 43 -5.870 -2.443 12.168 321 1HB SER 43 2HB SER 43 -6.227 0.508 11.616 322 2HB SER 43 1HB SER 43 -7.362 -0.436 12.574 323 HG SER 43 HG SER 43 -5.680 -0.921 13.995 324 H GLY 44 H GLY 44 -8.013 -3.070 11.715 325 1HA GLY 44 2HA GLY 44 -8.666 -3.504 8.968 326 2HA GLY 44 1HA GLY 44 -9.785 -3.715 10.317 327 H ALA 45 H ALA 45 -9.055 -0.779 11.014 328 HA ALA 45 HA ALA 45 -11.280 0.387 9.494 329 1HB ALA 45 1HB ALA 45 -11.076 2.262 10.970 330 2HB ALA 45 2HB ALA 45 -9.429 1.815 11.419 331 3HB ALA 45 3HB ALA 45 -10.791 0.835 11.966 332 H GLU 46 H GLU 46 -7.764 0.594 9.619 333 HA GLU 46 HA GLU 46 -7.573 2.861 7.816 334 1HB GLU 46 2HB GLU 46 -5.601 0.750 8.726 335 2HB GLU 46 1HB GLU 46 -5.167 2.012 7.572 336 1HG GLU 46 2HG GLU 46 -5.835 3.738 9.210 337 2HG GLU 46 1HG GLU 46 -6.250 2.473 10.367 338 H GLY 47 H GLY 47 -7.436 -0.674 7.452 339 1HA GLY 47 2HA GLY 47 -6.770 -0.768 4.696 340 2HA GLY 47 1HA GLY 47 -7.718 -2.000 5.533 341 H SER 48 H SER 48 -9.801 -0.071 6.332 342 HA SER 48 HA SER 48 -11.322 -0.106 3.805 343 1HB SER 48 2HB SER 48 -12.504 -0.867 5.774 344 2HB SER 48 1HB SER 48 -12.074 0.594 6.657 345 HG SER 48 HG SER 48 -13.994 0.169 4.696 346 H PHE 49 H PHE 49 -9.959 2.216 6.096 347 HA PHE 49 HA PHE 49 -11.150 4.567 4.968 348 1HB PHE 49 2HB PHE 49 -9.886 4.337 7.196 349 2HB PHE 49 1HB PHE 49 -8.408 4.462 6.241 350 HD1 PHE 49 1HD PHE 49 -7.520 6.588 5.855 351 HD2 PHE 49 2HD PHE 49 -11.726 6.178 6.631 352 HE1 PHE 49 1HE PHE 49 -7.771 9.053 5.798 353 HE2 PHE 49 2HE PHE 49 -11.976 8.644 6.574 354 HZ PHE 49 HZ PHE 49 -9.999 10.081 6.157 355 H VAL 50 H VAL 50 -7.953 3.050 4.412 356 HA VAL 50 HA VAL 50 -7.130 4.872 2.374 357 HB VAL 50 HB VAL 50 -6.388 1.939 2.628 358 1HG1 VAL 50 1HG1 VAL 50 -4.291 2.716 1.527 359 2HG1 VAL 50 2HG1 VAL 50 -5.009 4.317 1.345 360 3HG1 VAL 50 3HG1 VAL 50 -5.710 2.936 0.502 361 1HG2 VAL 50 1HG2 VAL 50 -4.619 2.627 4.096 362 2HG2 VAL 50 2HG2 VAL 50 -6.087 3.382 4.718 363 3HG2 VAL 50 3HG2 VAL 50 -4.937 4.333 3.784 364 H SER 51 H SER 51 -8.840 1.747 2.211 365 HA SER 51 HA SER 51 -9.016 1.530 -0.603 366 1HB SER 51 2HB SER 51 -9.771 -0.358 0.566 367 2HB SER 51 1HB SER 51 -10.759 0.600 1.665 368 HG SER 51 HG SER 51 -11.447 0.912 -0.960 369 H SER 52 H SER 52 -11.044 3.337 1.689 370 HA SER 52 HA SER 52 -12.936 4.203 -0.333 371 1HB SER 52 2HB SER 52 -13.571 5.893 1.463 372 2HB SER 52 1HB SER 52 -13.690 4.202 1.942 373 HG SER 52 HG SER 52 -11.260 4.810 2.489 374 H LEU 53 H LEU 53 -9.819 5.297 0.743 375 HA LEU 53 HA LEU 53 -10.095 7.996 -0.338 376 1HB LEU 53 2HB LEU 53 -8.524 7.877 1.404 377 2HB LEU 53 1HB LEU 53 -7.863 6.350 0.830 378 HG LEU 53 HG LEU 53 -6.917 7.567 -1.156 379 1HD1 LEU 53 1HD1 LEU 53 -7.789 10.013 0.425 380 2HD1 LEU 53 2HD1 LEU 53 -8.492 9.490 -1.105 381 3HD1 LEU 53 3HD1 LEU 53 -6.816 10.032 -1.045 382 1HD2 LEU 53 1HD2 LEU 53 -5.678 7.130 1.037 383 2HD2 LEU 53 2HD2 LEU 53 -6.022 8.808 1.455 384 3HD2 LEU 53 3HD2 LEU 53 -5.039 8.436 0.040 385 H VAL 54 H VAL 54 -9.186 4.859 -1.523 386 HA VAL 54 HA VAL 54 -8.363 6.112 -4.117 387 HB VAL 54 HB VAL 54 -6.904 4.194 -4.482 388 1HG1 VAL 54 1HG1 VAL 54 -6.391 5.053 -1.637 389 2HG1 VAL 54 2HG1 VAL 54 -6.264 6.210 -2.962 390 3HG1 VAL 54 3HG1 VAL 54 -5.230 4.782 -2.936 391 1HG2 VAL 54 1HG2 VAL 54 -8.022 2.372 -3.454 392 2HG2 VAL 54 2HG2 VAL 54 -8.178 3.227 -1.921 393 3HG2 VAL 54 3HG2 VAL 54 -6.604 2.626 -2.437 394 H LYS 55 H LYS 55 -11.022 4.990 -2.927 395 HA LYS 55 HA LYS 55 -11.673 2.667 -4.502 396 1HB LYS 55 2HB LYS 55 -12.957 3.360 -2.492 397 2HB LYS 55 1HB LYS 55 -13.531 4.778 -3.367 398 1HG LYS 55 2HG LYS 55 -14.690 3.413 -4.977 399 2HG LYS 55 1HG LYS 55 -13.955 1.941 -4.341 400 1HD LYS 55 2HD LYS 55 -15.549 3.671 -2.476 401 2HD LYS 55 1HD LYS 55 -16.411 2.642 -3.618 402 1HE LYS 55 2HE LYS 55 -14.262 1.640 -1.730 403 2HE LYS 55 1HE LYS 55 -15.991 1.542 -1.400 404 1HZ LYS 55 1HZ LYS 55 -16.170 -0.220 -2.710 405 2HZ LYS 55 2HZ LYS 55 -14.475 -0.260 -2.820 406 3HZ LYS 55 3HZ LYS 55 -15.386 0.562 -3.996 407 H SER 56 H SER 56 -11.647 6.095 -5.144 408 HA SER 56 HA SER 56 -13.038 5.686 -7.749 409 1HB SER 56 2HB SER 56 -12.092 8.309 -6.574 410 2HB SER 56 1HB SER 56 -13.297 8.061 -7.835 411 HG SER 56 HG SER 56 -13.905 8.419 -5.446 412 H ILE 57 H ILE 57 -10.443 4.583 -7.343 413 HA ILE 57 HA ILE 57 -8.271 6.132 -8.158 414 HB ILE 57 HB ILE 57 -7.690 4.001 -7.473 415 1HG1 ILE 57 2HG1 ILE 57 -6.760 2.764 -9.324 416 2HG1 ILE 57 1HG1 ILE 57 -7.914 3.476 -10.447 417 1HG2 ILE 57 1HG2 ILE 57 -8.913 1.948 -8.463 418 2HG2 ILE 57 2HG2 ILE 57 -10.105 3.112 -9.041 419 3HG2 ILE 57 3HG2 ILE 57 -9.793 2.954 -7.316 420 1HD1 ILE 57 1HD1 ILE 57 -6.655 5.350 -10.709 421 2HD1 ILE 57 2HD1 ILE 57 -5.357 4.421 -9.968 422 3HD1 ILE 57 3HD1 ILE 57 -6.345 5.483 -8.981 423 H GLY 58 H GLY 58 -10.307 4.101 -10.315 424 1HA GLY 58 2HA GLY 58 -11.080 5.656 -12.319 425 2HA GLY 58 1HA GLY 58 -9.344 5.722 -12.614 426 H ASN 59 H ASN 59 -11.372 4.580 -14.374 427 HA ASN 59 HA ASN 59 -11.472 1.756 -14.232 428 1HB ASN 59 2HB ASN 59 -11.835 1.946 -16.763 429 2HB ASN 59 1HB ASN 59 -12.971 2.825 -15.739 430 1HD2 ASN 59 1HD2 ASN 59 -13.126 5.068 -16.069 431 2HD2 ASN 59 2HD2 ASN 59 -12.061 5.969 -17.038 432 H SER 60 H SER 60 -9.232 3.871 -16.054 433 HA SER 60 HA SER 60 -7.621 1.684 -17.025 434 1HB SER 60 2HB SER 60 -7.425 3.704 -18.243 435 2HB SER 60 1HB SER 60 -7.194 4.661 -16.783 436 HG SER 60 HG SER 60 -5.156 4.405 -17.261 437 H TYR 61 H TYR 61 -8.158 1.927 -14.034 438 HA TYR 61 HA TYR 61 -5.473 1.153 -13.179 439 1HB TYR 61 2HB TYR 61 -6.767 3.689 -12.197 440 2HB TYR 61 1HB TYR 61 -5.506 2.846 -11.295 441 HD1 TYR 61 1HD TYR 61 -6.100 5.370 -13.656 442 HD2 TYR 61 2HD TYR 61 -3.397 2.139 -12.808 443 HE1 TYR 61 1HE TYR 61 -4.374 6.440 -15.081 444 HE2 TYR 61 2HE TYR 61 -1.673 3.208 -14.234 445 HH TYR 61 HH TYR 61 -2.393 6.114 -16.120 446 H SER 62 H SER 62 -5.879 -0.606 -11.935 447 HA SER 62 HA SER 62 -8.388 -0.622 -10.290 448 1HB SER 62 2HB SER 62 -8.857 -2.438 -11.578 449 2HB SER 62 1HB SER 62 -7.191 -2.591 -12.123 450 HG SER 62 HG SER 62 -7.915 -4.332 -10.767 451 H TYR 63 H TYR 63 -4.922 -1.340 -10.341 452 HA TYR 63 HA TYR 63 -5.127 -2.132 -7.476 453 1HB TYR 63 2HB TYR 63 -3.001 -2.536 -9.571 454 2HB TYR 63 1HB TYR 63 -2.683 -2.809 -7.857 455 HD1 TYR 63 1HD TYR 63 -5.314 -3.623 -10.414 456 HD2 TYR 63 2HD TYR 63 -3.014 -4.971 -7.048 457 HE1 TYR 63 1HE TYR 63 -6.384 -5.850 -10.573 458 HE2 TYR 63 2HE TYR 63 -4.078 -7.204 -7.217 459 HH TYR 63 HH TYR 63 -6.722 -7.812 -9.473 460 H VAL 64 H VAL 64 -3.392 -1.299 -6.023 461 HA VAL 64 HA VAL 64 -2.291 1.351 -6.811 462 HB VAL 64 HB VAL 64 -4.062 0.844 -4.394 463 1HG1 VAL 64 1HG1 VAL 64 -2.948 3.511 -5.229 464 2HG1 VAL 64 2HG1 VAL 64 -2.060 2.459 -4.127 465 3HG1 VAL 64 3HG1 VAL 64 -3.658 3.049 -3.686 466 1HG2 VAL 64 1HG2 VAL 64 -5.399 1.088 -6.377 467 2HG2 VAL 64 2HG2 VAL 64 -4.426 2.451 -6.930 468 3HG2 VAL 64 3HG2 VAL 64 -5.466 2.626 -5.516 469 H TRP 65 H TRP 65 -0.299 1.740 -5.820 470 HA TRP 65 HA TRP 65 0.954 -0.499 -4.454 471 1HB TRP 65 2HB TRP 65 1.791 2.098 -5.565 472 2HB TRP 65 1HB TRP 65 2.714 1.597 -4.161 473 HD1 TRP 65 HD TRP 65 3.593 1.777 -7.313 474 HE1 TRP 65 1HE TRP 65 4.805 -0.255 -8.318 475 HE3 TRP 65 3HE TRP 65 2.162 -1.855 -3.997 476 HZ2 TRP 65 2HZ TRP 65 5.099 -3.034 -7.815 477 HZ3 TRP 65 3HZ TRP 65 2.927 -4.183 -4.305 478 HH2 TRP 65 HH TRP 65 4.394 -4.778 -6.204 479 H ILE 66 H ILE 66 1.730 -0.544 -2.281 480 HA ILE 66 HA ILE 66 0.992 1.754 -0.546 481 HB ILE 66 HB ILE 66 0.048 0.247 1.176 482 1HG1 ILE 66 2HG1 ILE 66 0.371 -1.877 -0.967 483 2HG1 ILE 66 1HG1 ILE 66 1.196 -1.833 0.593 484 1HG2 ILE 66 1HG2 ILE 66 -2.083 -0.039 0.148 485 2HG2 ILE 66 2HG2 ILE 66 -1.363 -0.251 -1.448 486 3HG2 ILE 66 3HG2 ILE 66 -1.344 1.334 -0.675 487 1HD1 ILE 66 1HD1 ILE 66 -1.133 -1.818 1.661 488 2HD1 ILE 66 2HD1 ILE 66 -0.647 -3.329 0.891 489 3HD1 ILE 66 3HD1 ILE 66 -1.758 -2.234 0.065 490 H GLY 67 H GLY 67 2.110 1.262 1.752 491 1HA GLY 67 2HA GLY 67 4.883 0.596 1.076 492 2HA GLY 67 1HA GLY 67 4.326 1.313 2.583 493 H LEU 68 H LEU 68 3.476 -1.814 0.988 494 HA LEU 68 HA LEU 68 4.634 -3.127 3.396 495 1HB LEU 68 2HB LEU 68 2.177 -3.067 3.692 496 2HB LEU 68 1HB LEU 68 1.981 -3.887 2.152 497 HG LEU 68 HG LEU 68 2.945 -5.903 2.969 498 1HD1 LEU 68 1HD1 LEU 68 3.927 -5.962 5.331 499 2HD1 LEU 68 2HD1 LEU 68 3.951 -4.206 5.250 500 3HD1 LEU 68 3HD1 LEU 68 4.908 -5.153 4.114 501 1HD2 LEU 68 1HD2 LEU 68 1.574 -6.493 4.815 502 2HD2 LEU 68 2HD2 LEU 68 0.675 -5.243 3.952 503 3HD2 LEU 68 3HD2 LEU 68 1.556 -4.839 5.426 504 H HIS 69 H HIS 69 5.989 -4.736 2.891 505 HA HIS 69 HA HIS 69 5.734 -5.978 0.188 506 1HB HIS 69 2HB HIS 69 8.206 -6.108 0.099 507 2HB HIS 69 1HB HIS 69 7.651 -4.434 0.185 508 HD1 HIS 69 1HD HIS 69 10.120 -6.505 1.645 509 HD2 HIS 69 2HD HIS 69 7.446 -3.715 3.179 510 HE1 HIS 69 1HE HIS 69 11.028 -5.818 3.910 511 H ASP 70 H ASP 70 7.396 -7.938 0.272 512 HA ASP 70 HA ASP 70 6.575 -9.586 2.622 513 1HB ASP 70 2HB ASP 70 7.450 -10.535 -0.118 514 2HB ASP 70 1HB ASP 70 6.752 -11.516 1.171 515 HA PRO 71 HA PRO 71 11.188 -8.786 2.957 516 1HB PRO 71 2HB PRO 71 10.853 -9.413 5.751 517 2HB PRO 71 1HB PRO 71 11.252 -7.859 5.017 518 1HG PRO 71 2HG PRO 71 8.745 -8.719 6.170 519 2HG PRO 71 1HG PRO 71 9.204 -7.119 5.582 520 1HD PRO 71 2HD PRO 71 7.359 -8.883 4.371 521 2HD PRO 71 1HD PRO 71 8.040 -7.406 3.652 522 H THR 72 H THR 72 9.413 -11.413 2.624 523 HA THR 72 HA THR 72 11.091 -13.361 4.057 524 HB THR 72 HB THR 72 9.599 -15.029 3.161 525 HG1 THR 72 1HG THR 72 9.242 -13.088 1.254 526 1HG2 THR 72 1HG2 THR 72 8.062 -12.497 3.804 527 2HG2 THR 72 2HG2 THR 72 8.665 -13.667 4.976 528 3HG2 THR 72 3HG2 THR 72 7.395 -14.129 3.844 529 H GLN 73 H GLN 73 10.799 -11.961 0.852 530 HA GLN 73 HA GLN 73 12.022 -12.362 -1.120 531 1HB GLN 73 2HB GLN 73 14.049 -12.791 1.083 532 2HB GLN 73 1HB GLN 73 14.494 -12.825 -0.623 533 1HG GLN 73 2HG GLN 73 13.638 -10.556 -0.928 534 2HG GLN 73 1HG GLN 73 13.085 -10.517 0.747 535 1HE2 GLN 73 1HE2 GLN 73 14.611 -9.932 2.346 536 2HE2 GLN 73 2HE2 GLN 73 16.257 -9.661 2.029 537 H GLY 74 H GLY 74 10.506 -14.637 -0.094 538 1HA GLY 74 2HA GLY 74 10.290 -16.929 -0.543 539 2HA GLY 74 1HA GLY 74 11.551 -16.703 -1.757 540 H THR 75 H THR 75 12.829 -15.585 1.068 541 HA THR 75 HA THR 75 14.516 -17.949 1.371 542 HB THR 75 HB THR 75 14.387 -15.473 3.118 543 HG1 THR 75 1HG THR 75 14.838 -14.806 1.070 544 1HG2 THR 75 1HG2 THR 75 15.617 -17.252 4.180 545 2HG2 THR 75 2HG2 THR 75 16.794 -16.114 3.523 546 3HG2 THR 75 3HG2 THR 75 16.467 -17.628 2.681 547 H GLU 76 H GLU 76 12.578 -16.137 3.784 548 HA GLU 76 HA GLU 76 12.541 -17.954 5.852 549 1HB GLU 76 2HB GLU 76 11.334 -15.711 5.705 550 2HB GLU 76 1HB GLU 76 10.013 -16.586 4.932 551 1HG GLU 76 2HG GLU 76 9.771 -18.032 6.876 552 2HG GLU 76 1HG GLU 76 11.179 -17.293 7.640 553 HA PRO 77 HA PRO 77 10.800 -21.455 3.496 554 1HB PRO 77 2HB PRO 77 11.095 -23.083 5.857 555 2HB PRO 77 1HB PRO 77 12.056 -23.118 4.377 556 1HG PRO 77 2HG PRO 77 12.856 -22.169 6.946 557 2HG PRO 77 1HG PRO 77 13.787 -22.132 5.445 558 1HD PRO 77 2HD PRO 77 12.543 -19.913 6.844 559 2HD PRO 77 1HD PRO 77 13.576 -19.866 5.392 560 H ASN 78 H ASN 78 9.080 -19.511 4.796 561 HA ASN 78 HA ASN 78 6.854 -21.326 5.529 562 1HB ASN 78 2HB ASN 78 8.265 -20.071 7.524 563 2HB ASN 78 1HB ASN 78 7.004 -18.883 7.200 564 1HD2 ASN 78 1HD2 ASN 78 6.931 -22.487 7.123 565 2HD2 ASN 78 2HD2 ASN 78 5.644 -22.631 8.221 566 H GLY 79 H GLY 79 7.716 -17.864 5.202 567 1HA GLY 79 2HA GLY 79 6.820 -16.386 3.529 568 2HA GLY 79 1HA GLY 79 5.561 -17.577 3.183 569 H GLU 80 H GLU 80 6.664 -15.377 5.777 570 HA GLU 80 HA GLU 80 3.906 -14.505 6.209 571 1HB GLU 80 2HB GLU 80 3.697 -15.294 8.481 572 2HB GLU 80 1HB GLU 80 4.110 -16.683 7.473 573 1HG GLU 80 2HG GLU 80 6.569 -16.136 8.078 574 2HG GLU 80 1HG GLU 80 5.886 -15.148 9.370 575 H GLY 81 H GLY 81 6.558 -13.315 5.572 576 1HA GLY 81 2HA GLY 81 7.416 -11.895 7.973 577 2HA GLY 81 1HA GLY 81 7.961 -11.568 6.326 578 H TRP 82 H TRP 82 6.205 -10.570 4.884 579 HA TRP 82 HA TRP 82 5.003 -8.580 4.502 580 1HB TRP 82 2HB TRP 82 3.273 -9.433 6.809 581 2HB TRP 82 1HB TRP 82 2.792 -8.725 5.269 582 HD1 TRP 82 HD TRP 82 4.814 -10.863 3.667 583 HE1 TRP 82 1HE TRP 82 3.870 -13.224 3.254 584 HE3 TRP 82 3HE TRP 82 1.092 -10.947 7.161 585 HZ2 TRP 82 2HZ TRP 82 1.809 -14.926 4.272 586 HZ3 TRP 82 3HZ TRP 82 -0.343 -12.950 7.420 587 HH2 TRP 82 HH TRP 82 0.009 -14.938 5.981 588 H GLU 83 H GLU 83 6.250 -6.787 5.122 589 HA GLU 83 HA GLU 83 5.666 -5.758 7.872 590 1HB GLU 83 2HB GLU 83 8.020 -6.956 7.505 591 2HB GLU 83 1HB GLU 83 8.443 -5.391 6.811 592 1HG GLU 83 2HG GLU 83 7.332 -4.439 9.000 593 2HG GLU 83 1HG GLU 83 7.633 -6.061 9.624 594 H TRP 84 H TRP 84 5.011 -3.655 7.765 595 HA TRP 84 HA TRP 84 4.957 -2.258 5.257 596 1HB TRP 84 2HB TRP 84 4.622 -0.806 7.845 597 2HB TRP 84 1HB TRP 84 3.684 -0.676 6.355 598 HD1 TRP 84 HD TRP 84 4.185 -3.015 9.364 599 HE1 TRP 84 1HE TRP 84 2.067 -4.458 9.635 600 HE3 TRP 84 3HE TRP 84 1.593 -1.562 5.216 601 HZ2 TRP 84 2HZ TRP 84 -0.398 -4.941 8.267 602 HZ3 TRP 84 3HZ TRP 84 -0.630 -2.537 4.718 603 HH2 TRP 84 HH TRP 84 -1.628 -4.215 6.239 604 H SER 85 H SER 85 6.037 -0.185 4.794 605 HA SER 85 HA SER 85 8.796 -0.275 5.817 606 1HB SER 85 2HB SER 85 7.612 1.500 3.672 607 2HB SER 85 1HB SER 85 9.326 1.291 4.017 608 HG SER 85 HG SER 85 7.538 -0.368 2.706 609 H SER 86 H SER 86 6.038 1.142 6.811 610 HA SER 86 HA SER 86 7.534 3.076 8.420 611 1HB SER 86 2HB SER 86 7.156 4.456 6.468 612 2HB SER 86 1HB SER 86 5.464 3.972 6.395 613 HG SER 86 HG SER 86 6.169 4.948 8.834 614 H SER 87 H SER 87 5.560 0.662 8.461 615 HA SER 87 HA SER 87 3.671 1.968 10.412 616 1HB SER 87 2HB SER 87 2.789 -0.591 9.254 617 2HB SER 87 1HB SER 87 1.885 0.884 9.550 618 HG SER 87 HG SER 87 3.812 1.150 7.629 619 H ASP 88 H ASP 88 6.358 0.234 10.428 620 HA ASP 88 HA ASP 88 7.297 -0.903 12.287 621 1HB ASP 88 2HB ASP 88 5.086 0.031 13.474 622 2HB ASP 88 1HB ASP 88 4.616 -1.668 13.388 623 H VAL 89 H VAL 89 5.752 -3.218 13.440 624 HA VAL 89 HA VAL 89 6.478 -5.139 11.351 625 HB VAL 89 HB VAL 89 5.608 -6.760 13.208 626 1HG1 VAL 89 1HG1 VAL 89 8.002 -4.942 13.594 627 2HG1 VAL 89 2HG1 VAL 89 7.975 -6.477 12.727 628 3HG1 VAL 89 3HG1 VAL 89 7.746 -6.447 14.476 629 1HG2 VAL 89 1HG2 VAL 89 6.029 -4.287 14.893 630 2HG2 VAL 89 2HG2 VAL 89 5.384 -5.847 15.395 631 3HG2 VAL 89 3HG2 VAL 89 4.425 -4.789 14.359 632 H MET 90 H MET 90 4.719 -7.130 11.466 633 HA MET 90 HA MET 90 2.389 -6.054 10.093 634 1HB MET 90 2HB MET 90 3.636 -8.268 9.614 635 2HB MET 90 1HB MET 90 2.748 -8.912 10.993 636 1HG MET 90 2HG MET 90 0.773 -7.622 9.521 637 2HG MET 90 1HG MET 90 1.800 -8.332 8.278 638 1HE MET 90 1HE MET 90 2.084 -11.930 9.019 639 2HE MET 90 2HE MET 90 2.717 -11.174 10.478 640 3HE MET 90 3HE MET 90 3.027 -10.436 8.909 641 H ASN 91 H ASN 91 1.280 -4.832 11.765 642 HA ASN 91 HA ASN 91 0.328 -6.397 14.105 643 1HB ASN 91 2HB ASN 91 1.070 -3.715 13.784 644 2HB ASN 91 1HB ASN 91 -0.689 -3.661 13.893 645 1HD2 ASN 91 1HD2 ASN 91 -1.625 -3.979 15.951 646 2HD2 ASN 91 2HD2 ASN 91 -0.741 -4.396 17.339 647 H TYR 92 H TYR 92 -0.559 -6.003 10.983 648 HA TYR 92 HA TYR 92 -3.377 -6.618 11.623 649 1HB TYR 92 2HB TYR 92 -3.347 -4.200 11.202 650 2HB TYR 92 1HB TYR 92 -2.558 -4.476 9.649 651 HD1 TYR 92 1HD TYR 92 -5.502 -5.908 11.512 652 HD2 TYR 92 2HD TYR 92 -3.978 -4.341 7.813 653 HE1 TYR 92 1HE TYR 92 -7.712 -6.265 10.450 654 HE2 TYR 92 2HE TYR 92 -6.191 -4.700 6.752 655 HH TYR 92 HH TYR 92 -8.323 -6.576 7.538 656 H PHE 93 H PHE 93 -4.440 -7.811 9.895 657 HA PHE 93 HA PHE 93 -2.623 -8.715 7.700 658 1HB PHE 93 2HB PHE 93 -3.318 -11.028 8.052 659 2HB PHE 93 1HB PHE 93 -2.627 -10.393 9.545 660 HD1 PHE 93 1HD PHE 93 -5.784 -11.251 7.806 661 HD2 PHE 93 2HD PHE 93 -3.973 -10.057 11.513 662 HE1 PHE 93 1HE PHE 93 -7.900 -11.748 9.000 663 HE2 PHE 93 2HE PHE 93 -6.089 -10.554 12.707 664 HZ PHE 93 HZ PHE 93 -8.053 -11.400 11.451 665 H ALA 94 H ALA 94 -3.663 -9.109 5.742 666 HA ALA 94 HA ALA 94 -6.493 -9.502 5.461 667 1HB ALA 94 1HB ALA 94 -6.150 -6.966 6.141 668 2HB ALA 94 2HB ALA 94 -7.302 -7.397 4.879 669 3HB ALA 94 3HB ALA 94 -5.705 -6.789 4.445 670 H TRP 95 H TRP 95 -3.787 -10.330 4.427 671 HA TRP 95 HA TRP 95 -3.644 -9.515 1.648 672 1HB TRP 95 2HB TRP 95 -2.172 -11.705 1.587 673 2HB TRP 95 1HB TRP 95 -1.590 -10.283 2.454 674 HD1 TRP 95 HD TRP 95 -1.678 -10.320 5.106 675 HE1 TRP 95 1HE TRP 95 -1.859 -12.256 6.797 676 HE3 TRP 95 3HE TRP 95 -3.193 -14.072 1.992 677 HZ2 TRP 95 2HZ TRP 95 -2.550 -15.032 6.826 678 HZ3 TRP 95 3HZ TRP 95 -3.604 -16.351 2.876 679 HH2 TRP 95 HH TRP 95 -3.286 -16.835 5.286 680 H GLU 96 H GLU 96 -4.185 -10.825 -0.198 681 HA GLU 96 HA GLU 96 -6.674 -12.255 0.039 682 1HB GLU 96 2HB GLU 96 -5.771 -11.017 -2.018 683 2HB GLU 96 1HB GLU 96 -4.755 -12.432 -2.292 684 1HG GLU 96 2HG GLU 96 -6.779 -13.863 -2.329 685 2HG GLU 96 1HG GLU 96 -7.783 -12.430 -2.106 686 H ARG 97 H ARG 97 -3.371 -13.381 -0.769 687 HA ARG 97 HA ARG 97 -3.956 -15.939 0.601 688 1HB ARG 97 2HB ARG 97 -3.376 -15.654 -2.347 689 2HB ARG 97 1HB ARG 97 -2.948 -17.127 -1.479 690 1HG ARG 97 2HG ARG 97 -5.298 -17.355 -0.727 691 2HG ARG 97 1HG ARG 97 -5.720 -15.905 -1.639 692 1HD ARG 97 2HD ARG 97 -4.357 -18.217 -3.007 693 2HD ARG 97 1HD ARG 97 -6.101 -18.230 -2.757 694 HE ARG 97 HE ARG 97 -5.317 -15.731 -3.928 695 1HH1 ARG 97 1HH2 ARG 97 -6.130 -19.020 -4.494 696 2HH1 ARG 97 2HH2 ARG 97 -6.260 -18.838 -6.212 697 1HH2 ARG 97 1HH1 ARG 97 -5.289 -15.509 -6.198 698 2HH2 ARG 97 2HH1 ARG 97 -5.783 -16.850 -7.177 699 H ASN 98 H ASN 98 -2.127 -16.679 1.624 700 HA ASN 98 HA ASN 98 0.193 -15.063 1.801 701 1HB ASN 98 2HB ASN 98 1.242 -17.147 2.829 702 2HB ASN 98 1HB ASN 98 -0.261 -16.606 3.579 703 1HD2 ASN 98 1HD2 ASN 98 -1.071 -17.846 0.569 704 2HD2 ASN 98 2HD2 ASN 98 -1.460 -19.433 1.032 705 HA PRO 99 HA PRO 99 2.359 -16.021 -1.962 706 1HB PRO 99 2HB PRO 99 4.937 -16.054 -0.677 707 2HB PRO 99 1HB PRO 99 4.216 -14.766 -1.645 708 1HG PRO 99 2HG PRO 99 4.592 -14.858 1.216 709 2HG PRO 99 1HG PRO 99 3.978 -13.528 0.232 710 1HD PRO 99 2HD PRO 99 2.483 -15.156 2.036 711 2HD PRO 99 1HD PRO 99 1.839 -13.941 0.902 712 H SER 100 H SER 100 2.573 -17.977 0.869 713 HA SER 100 HA SER 100 4.308 -20.040 -0.139 714 1HB SER 100 2HB SER 100 3.679 -19.722 2.279 715 2HB SER 100 1HB SER 100 2.074 -20.334 1.890 716 HG SER 100 HG SER 100 3.843 -22.001 0.852 717 H THR 101 H THR 101 0.906 -19.323 -0.559 718 HA THR 101 HA THR 101 0.510 -21.930 -1.962 719 HB THR 101 HB THR 101 -1.900 -21.386 -1.828 720 HG1 THR 101 1HG THR 101 -2.132 -19.275 -1.771 721 1HG2 THR 101 1HG2 THR 101 -0.678 -22.549 0.050 722 2HG2 THR 101 2HG2 THR 101 -2.142 -21.702 0.548 723 3HG2 THR 101 3HG2 THR 101 -0.560 -20.985 0.856 724 H ILE 102 H ILE 102 1.943 -19.451 -3.007 725 HA ILE 102 HA ILE 102 0.330 -19.198 -5.516 726 HB ILE 102 HB ILE 102 1.807 -16.985 -4.059 727 1HG1 ILE 102 2HG1 ILE 102 -1.119 -17.139 -4.817 728 2HG1 ILE 102 1HG1 ILE 102 -0.519 -17.703 -3.256 729 1HG2 ILE 102 1HG2 ILE 102 0.779 -15.596 -5.953 730 2HG2 ILE 102 2HG2 ILE 102 0.506 -17.127 -6.785 731 3HG2 ILE 102 3HG2 ILE 102 2.150 -16.619 -6.389 732 1HD1 ILE 102 1HD1 ILE 102 -1.366 -15.246 -3.441 733 2HD1 ILE 102 2HD1 ILE 102 0.171 -14.943 -4.248 734 3HD1 ILE 102 3HD1 ILE 102 0.149 -15.549 -2.592 735 H SER 103 H SER 103 1.598 -19.027 -7.430 736 HA SER 103 HA SER 103 4.103 -20.392 -7.416 737 1HB SER 103 2HB SER 103 2.927 -18.521 -9.494 738 2HB SER 103 1HB SER 103 4.316 -19.569 -9.761 739 HG SER 103 HG SER 103 1.609 -20.200 -9.412 740 H SER 104 H SER 104 6.211 -19.392 -8.141 741 HA SER 104 HA SER 104 7.567 -17.795 -6.563 742 1HB SER 104 2HB SER 104 8.657 -16.631 -8.501 743 2HB SER 104 1HB SER 104 8.519 -18.374 -8.706 744 HG SER 104 HG SER 104 7.398 -17.965 -10.422 745 HA PRO 105 HA PRO 105 4.510 -14.328 -6.387 746 1HB PRO 105 2HB PRO 105 5.306 -13.945 -3.645 747 2HB PRO 105 1HB PRO 105 3.773 -14.570 -4.258 748 1HG PRO 105 2HG PRO 105 5.756 -16.032 -2.870 749 2HG PRO 105 1HG PRO 105 4.332 -16.690 -3.684 750 1HD PRO 105 2HD PRO 105 7.153 -16.779 -4.527 751 2HD PRO 105 1HD PRO 105 5.771 -17.729 -5.126 752 H GLY 106 H GLY 106 4.933 -12.048 -6.331 753 1HA GLY 106 2HA GLY 106 7.627 -11.242 -6.909 754 2HA GLY 106 1HA GLY 106 6.283 -10.142 -6.597 755 H HIS 107 H HIS 107 7.279 -8.748 -5.133 756 HA HIS 107 HA HIS 107 7.741 -9.862 -2.440 757 1HB HIS 107 2HB HIS 107 9.905 -8.080 -3.527 758 2HB HIS 107 1HB HIS 107 9.979 -9.248 -2.209 759 HD1 HIS 107 1HD HIS 107 10.285 -11.752 -2.839 760 HD2 HIS 107 2HD HIS 107 10.271 -9.202 -6.119 761 HE1 HIS 107 1HE HIS 107 11.108 -13.096 -4.817 762 H CYS 108 H CYS 108 5.779 -8.089 -3.666 763 HA CYS 108 HA CYS 108 6.081 -5.817 -1.803 764 1HB CYS 108 2HB CYS 108 5.999 -5.584 -4.787 765 2HB CYS 108 1HB CYS 108 5.218 -4.341 -3.809 766 H ALA 109 H ALA 109 3.926 -4.611 -1.638 767 HA ALA 109 HA ALA 109 1.661 -6.436 -2.358 768 1HB ALA 109 1HB ALA 109 0.741 -6.265 -0.235 769 2HB ALA 109 2HB ALA 109 1.545 -4.733 0.105 770 3HB ALA 109 3HB ALA 109 2.461 -6.237 0.153 771 H SER 110 H SER 110 -0.209 -5.478 -3.048 772 HA SER 110 HA SER 110 -0.427 -2.519 -3.077 773 1HB SER 110 2HB SER 110 -1.212 -3.679 -5.647 774 2HB SER 110 1HB SER 110 -0.153 -2.311 -5.322 775 HG SER 110 HG SER 110 0.454 -5.063 -5.454 776 H LEU 111 H LEU 111 -2.706 -1.895 -3.759 777 HA LEU 111 HA LEU 111 -4.619 -3.807 -2.583 778 1HB LEU 111 2HB LEU 111 -5.018 -1.015 -3.702 779 2HB LEU 111 1HB LEU 111 -6.249 -1.951 -2.868 780 HG LEU 111 HG LEU 111 -3.777 -1.816 -1.308 781 1HD1 LEU 111 1HD1 LEU 111 -4.157 0.632 -0.693 782 2HD1 LEU 111 2HD1 LEU 111 -5.112 0.762 -2.169 783 3HD1 LEU 111 3HD1 LEU 111 -3.400 0.350 -2.260 784 1HD2 LEU 111 1HD2 LEU 111 -6.075 -2.457 -0.510 785 2HD2 LEU 111 2HD2 LEU 111 -6.569 -0.780 -0.731 786 3HD2 LEU 111 3HD2 LEU 111 -5.325 -1.183 0.452 787 H SER 112 H SER 112 -6.409 -4.659 -3.762 788 HA SER 112 HA SER 112 -6.098 -4.561 -6.748 789 1HB SER 112 2HB SER 112 -6.833 -6.835 -6.834 790 2HB SER 112 1HB SER 112 -5.627 -6.770 -5.552 791 HG SER 112 HG SER 112 -7.469 -7.867 -4.839 792 H ARG 113 H ARG 113 -7.742 -3.375 -7.635 793 HA ARG 113 HA ARG 113 -10.094 -2.555 -6.301 794 1HB ARG 113 2HB ARG 113 -9.435 -1.490 -8.378 795 2HB ARG 113 1HB ARG 113 -9.611 -3.006 -9.262 796 1HG ARG 113 2HG ARG 113 -12.001 -3.014 -8.911 797 2HG ARG 113 1HG ARG 113 -11.892 -1.639 -7.812 798 1HD ARG 113 2HD ARG 113 -11.291 -0.149 -9.573 799 2HD ARG 113 1HD ARG 113 -10.961 -1.478 -10.682 800 HE ARG 113 HE ARG 113 -13.624 -1.831 -10.098 801 1HH1 ARG 113 1HH1 ARG 113 -11.599 0.463 -11.627 802 2HH1 ARG 113 2HH1 ARG 113 -12.904 1.413 -12.255 803 1HH2 ARG 113 1HH2 ARG 113 -15.368 -0.443 -10.671 804 2HH2 ARG 113 2HH2 ARG 113 -15.039 0.901 -11.713 805 H SER 114 H SER 114 -9.339 -5.597 -7.835 806 HA SER 114 HA SER 114 -11.912 -6.625 -8.344 807 1HB SER 114 2HB SER 114 -9.833 -7.813 -8.944 808 2HB SER 114 1HB SER 114 -9.505 -8.104 -7.238 809 HG SER 114 HG SER 114 -10.546 -9.885 -8.223 810 H THR 115 H THR 115 -10.132 -6.424 -5.282 811 HA THR 115 HA THR 115 -12.471 -7.611 -3.864 812 HB THR 115 HB THR 115 -10.977 -7.806 -1.947 813 HG1 THR 115 1HG THR 115 -8.902 -6.742 -3.518 814 1HG2 THR 115 1HG2 THR 115 -9.396 -8.632 -4.385 815 2HG2 THR 115 2HG2 THR 115 -10.871 -9.463 -3.890 816 3HG2 THR 115 3HG2 THR 115 -9.472 -9.436 -2.818 817 H ALA 116 H ALA 116 -12.379 -4.852 -5.032 818 HA ALA 116 HA ALA 116 -13.086 -2.707 -4.398 819 1HB ALA 116 1HB ALA 116 -14.689 -4.250 -3.035 820 2HB ALA 116 2HB ALA 116 -14.551 -2.557 -2.562 821 3HB ALA 116 3HB ALA 116 -13.689 -3.799 -1.654 822 H PHE 117 H PHE 117 -10.320 -3.666 -3.893 823 HA PHE 117 HA PHE 117 -8.364 -2.801 -2.946 824 1HB PHE 117 2HB PHE 117 -10.046 -0.561 -1.809 825 2HB PHE 117 1HB PHE 117 -8.344 -0.524 -2.269 826 HD1 PHE 117 1HD PHE 117 -7.704 -0.699 -4.696 827 HD2 PHE 117 2HD PHE 117 -11.772 -0.170 -3.418 828 HE1 PHE 117 1HE PHE 117 -8.329 0.034 -6.982 829 HE2 PHE 117 2HE PHE 117 -12.396 0.561 -5.704 830 HZ PHE 117 HZ PHE 117 -10.674 0.662 -7.485 831 H LEU 118 H LEU 118 -10.406 -4.479 -1.420 832 HA LEU 118 HA LEU 118 -9.600 -3.751 1.365 833 1HB LEU 118 2HB LEU 118 -11.786 -5.590 0.342 834 2HB LEU 118 1HB LEU 118 -11.429 -5.301 2.044 835 HG LEU 118 HG LEU 118 -12.217 -3.157 0.050 836 1HD1 LEU 118 1HD1 LEU 118 -13.792 -4.528 2.248 837 2HD1 LEU 118 2HD1 LEU 118 -14.096 -4.643 0.514 838 3HD1 LEU 118 3HD1 LEU 118 -14.343 -3.111 1.355 839 1HD2 LEU 118 1HD2 LEU 118 -12.631 -1.999 2.405 840 2HD2 LEU 118 2HD2 LEU 118 -11.028 -1.992 1.676 841 3HD2 LEU 118 3HD2 LEU 118 -11.414 -3.156 2.943 842 H ARG 119 H ARG 119 -8.080 -5.274 -0.847 843 HA ARG 119 HA ARG 119 -7.114 -7.407 0.952 844 1HB ARG 119 2HB ARG 119 -9.004 -8.197 -0.765 845 2HB ARG 119 1HB ARG 119 -7.640 -8.234 -1.881 846 1HG ARG 119 2HG ARG 119 -7.709 -10.410 -0.942 847 2HG ARG 119 1HG ARG 119 -6.411 -9.590 -0.074 848 1HD ARG 119 2HD ARG 119 -7.481 -10.146 1.841 849 2HD ARG 119 1HD ARG 119 -8.733 -8.989 1.391 850 HE ARG 119 HE ARG 119 -9.750 -11.019 0.108 851 1HH1 ARG 119 1HH2 ARG 119 -9.122 -10.693 3.355 852 2HH1 ARG 119 2HH2 ARG 119 -9.280 -12.373 3.752 853 1HH2 ARG 119 1HH1 ARG 119 -9.411 -13.415 0.447 854 2HH2 ARG 119 2HH1 ARG 119 -9.444 -13.912 2.106 855 H TRP 120 H TRP 120 -4.919 -7.842 0.599 856 HA TRP 120 HA TRP 120 -3.562 -5.992 -1.282 857 1HB TRP 120 2HB TRP 120 -2.240 -7.838 0.711 858 2HB TRP 120 1HB TRP 120 -1.592 -6.361 -0.003 859 HD1 TRP 120 HD TRP 120 -4.075 -4.465 0.428 860 HE1 TRP 120 1HE TRP 120 -4.681 -3.677 2.808 861 HE3 TRP 120 3HE TRP 120 -1.749 -8.083 3.172 862 HZ2 TRP 120 2HZ TRP 120 -4.236 -4.480 5.517 863 HZ3 TRP 120 3HZ TRP 120 -1.853 -8.051 5.644 864 HH2 TRP 120 HH TRP 120 -3.094 -6.258 6.822 865 H LYS 121 H LYS 121 -2.324 -6.700 -2.997 866 HA LYS 121 HA LYS 121 -2.186 -9.658 -3.461 867 1HB LYS 121 2HB LYS 121 -3.843 -8.320 -4.928 868 2HB LYS 121 1HB LYS 121 -2.408 -7.612 -5.671 869 1HG LYS 121 2HG LYS 121 -2.727 -9.435 -7.070 870 2HG LYS 121 1HG LYS 121 -1.658 -10.155 -5.867 871 1HD LYS 121 2HD LYS 121 -3.659 -10.988 -4.634 872 2HD LYS 121 1HD LYS 121 -4.686 -10.336 -5.912 873 1HE LYS 121 2HE LYS 121 -2.602 -12.517 -6.171 874 2HE LYS 121 1HE LYS 121 -4.344 -12.672 -6.394 875 1HZ LYS 121 1HZ LYS 121 -3.624 -12.460 -8.542 876 2HZ LYS 121 2HZ LYS 121 -2.353 -11.406 -8.142 877 3HZ LYS 121 3HZ LYS 121 -3.954 -10.840 -8.167 878 H ASP 122 H ASP 122 -0.283 -10.410 -4.464 879 HA ASP 122 HA ASP 122 2.038 -8.735 -3.938 880 1HB ASP 122 2HB ASP 122 1.872 -11.472 -5.230 881 2HB ASP 122 1HB ASP 122 3.342 -10.699 -4.635 882 H TYR 123 H TYR 123 3.400 -7.781 -5.492 883 HA TYR 123 HA TYR 123 2.874 -8.273 -8.352 884 1HB TYR 123 2HB TYR 123 1.488 -6.222 -7.087 885 2HB TYR 123 1HB TYR 123 2.863 -5.386 -7.803 886 HD1 TYR 123 1HD TYR 123 3.295 -5.563 -10.263 887 HD2 TYR 123 2HD TYR 123 -0.254 -7.160 -8.442 888 HE1 TYR 123 1HE TYR 123 2.211 -5.695 -12.491 889 HE2 TYR 123 2HE TYR 123 -1.336 -7.291 -10.670 890 HH TYR 123 HH TYR 123 -0.702 -7.412 -13.017 891 H ASN 124 H ASN 124 4.569 -7.413 -9.717 892 HA ASN 124 HA ASN 124 7.184 -7.593 -8.699 893 1HB ASN 124 2HB ASN 124 6.073 -6.219 -11.150 894 2HB ASN 124 1HB ASN 124 7.804 -6.252 -10.809 895 1HD2 ASN 124 1HD2 ASN 124 5.289 -8.793 -10.332 896 2HD2 ASN 124 2HD2 ASN 124 6.078 -9.958 -11.282 897 H CYS 125 H CYS 125 8.144 -6.305 -7.234 898 HA CYS 125 HA CYS 125 7.251 -3.890 -6.199 899 1HB CYS 125 2HB CYS 125 10.083 -4.898 -6.537 900 2HB CYS 125 1HB CYS 125 9.673 -3.470 -5.587 901 H ASN 126 H ASN 126 9.177 -4.335 -9.145 902 HA ASN 126 HA ASN 126 9.758 -1.499 -9.385 903 1HB ASN 126 2HB ASN 126 9.954 -3.777 -11.380 904 2HB ASN 126 1HB ASN 126 10.511 -2.134 -11.702 905 1HD2 ASN 126 1HD2 ASN 126 12.237 -1.275 -10.185 906 2HD2 ASN 126 2HD2 ASN 126 13.315 -2.377 -9.472 907 H VAL 127 H VAL 127 7.146 -3.580 -10.573 908 HA VAL 127 HA VAL 127 6.142 -1.893 -12.623 909 HB VAL 127 HB VAL 127 4.802 -3.776 -10.675 910 1HG1 VAL 127 1HG1 VAL 127 3.080 -2.157 -10.991 911 2HG1 VAL 127 2HG1 VAL 127 2.729 -3.430 -12.158 912 3HG1 VAL 127 3HG1 VAL 127 3.496 -1.934 -12.689 913 1HG2 VAL 127 1HG2 VAL 127 6.181 -4.507 -12.721 914 2HG2 VAL 127 2HG2 VAL 127 4.873 -3.841 -13.699 915 3HG2 VAL 127 3HG2 VAL 127 4.555 -5.173 -12.588 916 H ARG 128 H ARG 128 5.293 0.193 -12.501 917 HA ARG 128 HA ARG 128 5.096 1.367 -9.817 918 1HB ARG 128 2HB ARG 128 4.434 3.392 -11.452 919 2HB ARG 128 1HB ARG 128 6.108 2.912 -11.198 920 1HG ARG 128 2HG ARG 128 6.117 1.591 -13.205 921 2HG ARG 128 1HG ARG 128 4.375 1.779 -13.406 922 1HD ARG 128 2HD ARG 128 4.624 3.779 -14.441 923 2HD ARG 128 1HD ARG 128 5.742 4.360 -13.206 924 HE ARG 128 HE ARG 128 7.222 2.541 -14.722 925 1HH1 ARG 128 1HH1 ARG 128 5.098 5.079 -15.615 926 2HH1 ARG 128 2HH1 ARG 128 6.170 5.752 -16.797 927 1HH2 ARG 128 1HH2 ARG 128 8.752 3.544 -16.100 928 2HH2 ARG 128 2HH2 ARG 128 8.239 4.882 -17.072 929 H LEU 129 H LEU 129 3.123 2.390 -8.977 930 HA LEU 129 HA LEU 129 0.696 1.815 -10.637 931 1HB LEU 129 2HB LEU 129 1.334 0.657 -7.934 932 2HB LEU 129 1HB LEU 129 -0.338 0.972 -8.361 933 HG LEU 129 HG LEU 129 0.938 -0.380 -10.566 934 1HD1 LEU 129 1HD1 LEU 129 1.215 -1.720 -7.861 935 2HD1 LEU 129 2HD1 LEU 129 2.535 -1.254 -8.933 936 3HD1 LEU 129 3HD1 LEU 129 1.419 -2.533 -9.412 937 1HD2 LEU 129 1HD2 LEU 129 -0.841 -2.055 -10.027 938 2HD2 LEU 129 2HD2 LEU 129 -1.450 -0.407 -10.148 939 3HD2 LEU 129 3HD2 LEU 129 -1.202 -1.142 -8.564 940 HA PRO 130 HA PRO 130 -0.624 5.668 -8.883 941 1HB PRO 130 2HB PRO 130 -3.265 4.750 -8.135 942 2HB PRO 130 1HB PRO 130 -2.824 5.746 -9.527 943 1HG PRO 130 2HG PRO 130 -3.611 2.963 -9.496 944 2HG PRO 130 1HG PRO 130 -3.273 3.992 -10.892 945 1HD PRO 130 2HD PRO 130 -1.667 1.841 -9.925 946 2HD PRO 130 1HD PRO 130 -1.237 3.000 -11.206 947 H TYR 131 H TYR 131 -0.296 6.336 -6.637 948 HA TYR 131 HA TYR 131 -0.856 4.205 -4.602 949 1HB TYR 131 2HB TYR 131 1.336 4.503 -3.623 950 2HB TYR 131 1HB TYR 131 1.529 4.163 -5.341 951 HD1 TYR 131 1HD TYR 131 1.640 6.217 -6.942 952 HD2 TYR 131 2HD TYR 131 2.344 6.422 -2.711 953 HE1 TYR 131 1HE TYR 131 2.857 8.356 -7.248 954 HE2 TYR 131 2HE TYR 131 3.561 8.562 -3.017 955 HH TYR 131 HH TYR 131 3.431 10.354 -5.883 956 H VAL 132 H VAL 132 -0.366 5.070 -2.321 957 HA VAL 132 HA VAL 132 -1.440 7.866 -2.099 958 HB VAL 132 HB VAL 132 -1.859 5.483 -0.266 959 1HG1 VAL 132 1HG1 VAL 132 -3.356 7.082 0.973 960 2HG1 VAL 132 2HG1 VAL 132 -2.712 8.384 -0.025 961 3HG1 VAL 132 3HG1 VAL 132 -1.649 7.503 1.071 962 1HG2 VAL 132 1HG2 VAL 132 -4.085 5.453 -1.016 963 2HG2 VAL 132 2HG2 VAL 132 -3.185 5.778 -2.497 964 3HG2 VAL 132 3HG2 VAL 132 -3.993 7.098 -1.649 965 H CYS 133 H CYS 133 -0.581 9.036 -0.172 966 HA CYS 133 HA CYS 133 1.959 7.873 0.878 967 1HB CYS 133 2HB CYS 133 2.584 9.275 -1.028 968 2HB CYS 133 1HB CYS 133 1.644 10.618 -0.379 969 H LYS 134 H LYS 134 2.162 8.184 3.044 970 HA LYS 134 HA LYS 134 0.265 10.089 4.349 971 1HB LYS 134 2HB LYS 134 0.358 8.736 6.253 972 2HB LYS 134 1HB LYS 134 0.532 7.540 4.969 973 1HG LYS 134 2HG LYS 134 3.080 7.928 5.223 974 2HG LYS 134 1HG LYS 134 2.671 8.695 6.759 975 1HD LYS 134 2HD LYS 134 1.341 6.564 7.287 976 2HD LYS 134 1HD LYS 134 2.177 5.836 5.916 977 1HE LYS 134 2HE LYS 134 3.293 6.755 8.541 978 2HE LYS 134 1HE LYS 134 3.633 5.278 7.639 979 1HZ LYS 134 1HZ LYS 134 4.701 6.746 5.934 980 2HZ LYS 134 2HZ LYS 134 5.516 6.656 7.424 981 3HZ LYS 134 3HZ LYS 134 4.580 8.023 7.044 982 H PHE 135 H PHE 135 1.123 11.569 5.986 983 HA PHE 135 HA PHE 135 3.931 11.779 6.577 984 1HB PHE 135 2HB PHE 135 4.517 13.745 5.192 985 2HB PHE 135 1HB PHE 135 4.167 12.335 4.196 986 HD1 PHE 135 1HD PHE 135 1.996 12.157 2.985 987 HD2 PHE 135 2HD PHE 135 3.098 15.689 5.167 988 HE1 PHE 135 1HE PHE 135 0.225 13.435 1.812 989 HE2 PHE 135 2HE PHE 135 1.328 16.967 3.992 990 HZ PHE 135 HZ PHE 135 -0.108 15.840 2.314 991 H THR 136 H THR 136 3.837 12.810 8.510 992 HA THR 136 HA THR 136 1.590 14.588 9.141 993 HB THR 136 HB THR 136 3.983 14.288 10.931 994 HG1 THR 136 1HG THR 136 1.986 12.335 10.941 995 1HG2 THR 136 1HG2 THR 136 1.894 15.654 11.460 996 2HG2 THR 136 2HG2 THR 136 2.344 14.444 12.662 997 3HG2 THR 136 3HG2 THR 136 1.025 14.122 11.537 998 H ASP 137 H ASP 137 3.565 16.159 10.918 999 HA ASP 137 HA ASP 137 3.804 18.445 9.208 1000 1HB ASP 137 2HB ASP 137 5.214 17.789 11.813 1001 2HB ASP 137 1HB ASP 137 5.209 19.377 11.046
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