NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15900 | 1z2q | 6594 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -16.924 19.444 -16.293 2 H2 GLY 1 2HT GLY 1 -16.110 18.340 -17.282 3 H3 GLY 1 3HT GLY 1 -16.957 19.629 -17.975 4 HA2 GLY 1 1HA GLY 1 -14.994 20.658 -18.056 5 HA3 GLY 1 2HA GLY 1 -15.287 20.947 -16.348 6 HA PRO 2 HA PRO 2 -11.569 17.938 -17.409 7 HB2 PRO 2 2HB PRO 2 -9.566 19.838 -17.512 8 HB3 PRO 2 1HB PRO 2 -10.319 19.091 -18.924 9 HG2 PRO 2 2HG PRO 2 -10.883 21.736 -17.652 10 HG3 PRO 2 1HG PRO 2 -10.805 21.312 -19.372 11 HD2 PRO 2 2HD PRO 2 -13.151 21.629 -18.111 12 HD3 PRO 2 1HD PRO 2 -12.936 20.392 -19.367 13 H LEU 3 H LEU 3 -10.204 17.284 -15.769 14 HA LEU 3 HA LEU 3 -10.777 18.135 -13.163 15 HB2 LEU 3 2HB LEU 3 -8.362 16.608 -14.134 16 HB3 LEU 3 1HB LEU 3 -8.903 16.714 -12.470 17 HG LEU 3 HG LEU 3 -10.275 15.312 -14.754 18 HD11 LEU 3 1HD1 LEU 3 -8.331 14.309 -13.345 19 HD12 LEU 3 2HD1 LEU 3 -9.768 13.342 -13.674 20 HD13 LEU 3 3HD1 LEU 3 -9.574 14.127 -12.107 21 HD21 LEU 3 1HD2 LEU 3 -11.310 15.676 -11.947 22 HD22 LEU 3 2HD2 LEU 3 -12.090 14.799 -13.262 23 HD23 LEU 3 3HD2 LEU 3 -11.907 16.550 -13.357 24 H GLY 4 H GLY 4 -8.294 19.114 -15.427 25 HA2 GLY 4 2HA GLY 4 -7.163 21.170 -15.358 26 HA3 GLY 4 1HA GLY 4 -7.633 21.349 -13.675 27 H SER 5 H SER 5 -5.468 21.972 -13.208 28 HA SER 5 HA SER 5 -3.196 20.440 -13.751 29 HB2 SER 5 2HB SER 5 -3.665 22.225 -11.353 30 HB3 SER 5 1HB SER 5 -2.101 21.730 -11.998 31 HG SER 5 HG SER 5 -3.318 22.765 -14.026 32 H MET 6 H MET 6 -5.582 20.172 -11.192 33 HA MET 6 HA MET 6 -4.051 17.947 -10.028 34 HB2 MET 6 2HB MET 6 -6.288 19.605 -8.852 35 HB3 MET 6 1HB MET 6 -5.527 18.240 -8.046 36 HG2 MET 6 2HG MET 6 -3.368 19.435 -8.147 37 HG3 MET 6 1HG MET 6 -4.204 20.820 -8.847 38 HE1 MET 6 1HE MET 6 -3.606 22.658 -6.820 39 HE2 MET 6 2HE MET 6 -2.453 21.336 -6.635 40 HE3 MET 6 3HE MET 6 -3.298 21.973 -5.224 41 H GLY 7 H GLY 7 -4.987 15.942 -9.713 42 HA2 GLY 7 2HA GLY 7 -7.752 15.493 -10.486 43 HA3 GLY 7 1HA GLY 7 -6.551 14.777 -11.551 44 H GLU 8 H GLU 8 -8.623 13.816 -9.422 45 HA GLU 8 HA GLU 8 -6.878 12.274 -7.674 46 HB2 GLU 8 2HB GLU 8 -9.894 12.402 -7.859 47 HB3 GLU 8 1HB GLU 8 -9.002 11.466 -6.669 48 HG2 GLU 8 2HG GLU 8 -7.995 13.554 -5.829 49 HG3 GLU 8 1HG GLU 8 -8.982 14.459 -6.975 50 H LYS 9 H LYS 9 -7.402 11.871 -10.735 51 HA LYS 9 HA LYS 9 -8.469 9.216 -10.883 52 HB2 LYS 9 2HB LYS 9 -6.777 10.731 -12.885 53 HB3 LYS 9 1HB LYS 9 -7.670 9.251 -13.208 54 HG2 LYS 9 2HG LYS 9 -8.905 11.877 -12.403 55 HG3 LYS 9 1HG LYS 9 -8.810 11.254 -14.051 56 HD2 LYS 9 2HD LYS 9 -10.080 9.242 -13.274 57 HD3 LYS 9 1HD LYS 9 -10.309 10.058 -11.726 58 HE2 LYS 9 2HE LYS 9 -11.025 11.653 -14.085 59 HE3 LYS 9 1HE LYS 9 -12.019 10.219 -13.833 60 HZ1 LYS 9 1HZ LYS 9 -12.117 12.676 -12.477 61 HZ2 LYS 9 2HZ LYS 9 -11.705 11.473 -11.363 62 HZ3 LYS 9 3HZ LYS 9 -13.117 11.325 -12.282 63 H GLN 10 H GLN 10 -5.716 10.407 -9.592 64 HA GLN 10 HA GLN 10 -3.706 8.642 -10.475 65 HB2 GLN 10 2HB GLN 10 -3.145 10.698 -9.358 66 HB3 GLN 10 1HB GLN 10 -4.055 10.230 -7.926 67 HG2 GLN 10 2HG GLN 10 -2.456 8.417 -7.521 68 HG3 GLN 10 1HG GLN 10 -1.551 8.899 -8.956 69 HE21 GLN 10 1HE2 GLN 10 -0.255 8.769 -6.600 70 HE22 GLN 10 2HE2 GLN 10 0.120 10.353 -6.021 71 H SER 11 H SER 11 -2.988 6.698 -9.672 72 HA SER 11 HA SER 11 -4.720 5.401 -7.670 73 HB2 SER 11 2HB SER 11 -4.317 3.272 -8.803 74 HB3 SER 11 1HB SER 11 -4.990 4.441 -9.939 75 HG SER 11 HG SER 11 -2.875 4.794 -10.715 76 H LYS 12 H LYS 12 -3.728 3.922 -6.217 77 HA LYS 12 HA LYS 12 -0.803 4.215 -5.997 78 HB2 LYS 12 2HB LYS 12 -2.818 4.192 -3.743 79 HB3 LYS 12 1HB LYS 12 -1.072 4.213 -3.541 80 HG2 LYS 12 2HG LYS 12 -0.999 6.383 -4.723 81 HG3 LYS 12 1HG LYS 12 -2.763 6.365 -4.792 82 HD2 LYS 12 2HD LYS 12 -2.796 6.219 -2.307 83 HD3 LYS 12 1HD LYS 12 -1.042 6.411 -2.316 84 HE2 LYS 12 2HE LYS 12 -3.090 8.384 -3.318 85 HE3 LYS 12 1HE LYS 12 -2.077 8.545 -1.884 86 HZ1 LYS 12 1HZ LYS 12 -1.226 9.830 -3.757 87 HZ2 LYS 12 2HZ LYS 12 -1.077 8.419 -4.678 88 HZ3 LYS 12 3HZ LYS 12 -0.131 8.628 -3.292 89 H GLY 13 H GLY 13 0.359 2.429 -5.304 90 HA2 GLY 13 2HA GLY 13 0.827 0.205 -4.994 91 HA3 GLY 13 1HA GLY 13 -0.743 0.086 -4.215 92 H TYR 14 H TYR 14 0.929 -0.050 -7.316 93 HA TYR 14 HA TYR 14 -1.378 -0.991 -8.737 94 HB2 TYR 14 2HB TYR 14 0.394 0.243 -9.888 95 HB3 TYR 14 1HB TYR 14 1.539 -1.042 -9.522 96 HD1 TYR 14 1HD TYR 14 -1.440 -0.151 -11.503 97 HD2 TYR 14 2HD TYR 14 1.589 -3.057 -10.809 98 HE1 TYR 14 1HE TYR 14 -2.070 -1.296 -13.585 99 HE2 TYR 14 2HE TYR 14 0.969 -4.209 -12.891 100 HH TYR 14 HH TYR 14 -1.707 -4.018 -14.373 101 H TRP 15 H TRP 15 -2.148 -2.977 -8.709 102 HA TRP 15 HA TRP 15 -0.548 -5.151 -7.591 103 HB2 TRP 15 2HB TRP 15 -2.673 -6.415 -7.595 104 HB3 TRP 15 1HB TRP 15 -2.813 -4.888 -6.728 105 HD1 TRP 15 HD TRP 15 -3.975 -6.624 -9.941 106 HE1 TRP 15 1HE TRP 15 -5.978 -5.321 -10.897 107 HE3 TRP 15 3HE TRP 15 -3.899 -2.597 -6.794 108 HZ2 TRP 15 2HZ TRP 15 -7.345 -2.905 -10.386 109 HZ3 TRP 15 3HZ TRP 15 -5.588 -0.834 -7.093 110 HH2 TRP 15 HH TRP 15 -7.275 -0.985 -8.853 111 H GLN 16 H GLN 16 0.589 -6.422 -8.895 112 HA GLN 16 HA GLN 16 0.041 -6.518 -11.742 113 HB2 GLN 16 2HB GLN 16 2.372 -6.430 -10.874 114 HB3 GLN 16 1HB GLN 16 2.122 -7.991 -10.104 115 HG2 GLN 16 2HG GLN 16 1.824 -9.041 -12.264 116 HG3 GLN 16 1HG GLN 16 1.984 -7.478 -13.066 117 HE21 GLN 16 1HE2 GLN 16 3.617 -9.425 -13.875 118 HE22 GLN 16 2HE2 GLN 16 5.230 -9.160 -13.317 119 H GLU 17 H GLU 17 -1.093 -7.944 -12.755 120 HA GLU 17 HA GLU 17 -2.759 -9.746 -11.512 121 HB2 GLU 17 2HB GLU 17 -1.806 -9.732 -14.373 122 HB3 GLU 17 1HB GLU 17 -3.174 -10.664 -13.780 123 HG2 GLU 17 2HG GLU 17 -4.277 -8.571 -13.107 124 HG3 GLU 17 1HG GLU 17 -2.923 -7.665 -13.780 125 H ASP 18 H ASP 18 -2.901 -11.993 -11.496 126 HA ASP 18 HA ASP 18 -0.697 -13.437 -10.599 127 HB2 ASP 18 2HB ASP 18 -3.213 -14.460 -11.923 128 HB3 ASP 18 1HB ASP 18 -2.104 -15.420 -10.947 129 H GLU 19 H GLU 19 -2.166 -13.349 -13.821 130 HA GLU 19 HA GLU 19 -0.464 -15.271 -14.982 131 HB2 GLU 19 2HB GLU 19 -2.125 -13.074 -16.210 132 HB3 GLU 19 1HB GLU 19 -1.276 -14.290 -17.152 133 HG2 GLU 19 2HG GLU 19 -2.578 -16.045 -16.035 134 HG3 GLU 19 1HG GLU 19 -3.445 -14.806 -15.129 135 H ASP 20 H ASP 20 -0.284 -11.739 -14.870 136 HA ASP 20 HA ASP 20 1.977 -11.544 -16.570 137 HB2 ASP 20 2HB ASP 20 0.856 -9.629 -14.515 138 HB3 ASP 20 1HB ASP 20 2.180 -9.231 -15.606 139 H ALA 21 H ALA 21 1.538 -12.008 -13.153 140 HA ALA 21 HA ALA 21 4.465 -12.084 -12.785 141 HB1 ALA 21 1HB ALA 21 3.632 -11.926 -10.265 142 HB2 ALA 21 2HB ALA 21 2.256 -11.143 -11.044 143 HB3 ALA 21 3HB ALA 21 3.883 -10.495 -11.265 144 HA PRO 22 HA PRO 22 2.915 -16.431 -12.271 145 HB2 PRO 22 2HB PRO 22 4.681 -17.600 -13.924 146 HB3 PRO 22 1HB PRO 22 3.212 -16.825 -14.521 147 HG2 PRO 22 2HG PRO 22 6.010 -15.770 -14.455 148 HG3 PRO 22 1HG PRO 22 4.813 -15.680 -15.761 149 HD2 PRO 22 2HD PRO 22 5.317 -13.623 -14.039 150 HD3 PRO 22 1HD PRO 22 3.747 -13.877 -14.824 151 H ALA 23 H ALA 23 5.819 -14.745 -11.766 152 HA ALA 23 HA ALA 23 6.729 -16.810 -9.881 153 HB1 ALA 23 1HB ALA 23 8.057 -16.182 -12.266 154 HB2 ALA 23 2HB ALA 23 8.668 -17.138 -10.917 155 HB3 ALA 23 3HB ALA 23 8.982 -15.404 -10.981 156 H CYS 24 H CYS 24 8.003 -15.971 -8.097 157 HA CYS 24 HA CYS 24 6.976 -13.624 -7.015 158 HB2 CYS 24 2HB CYS 24 8.292 -15.712 -6.001 159 HB3 CYS 24 1HB CYS 24 9.633 -14.575 -6.084 160 HG CYS 24 HG CYS 24 8.069 -14.587 -3.796 161 H ASN 25 H ASN 25 7.400 -11.584 -7.367 162 HA ASN 25 HA ASN 25 9.346 -10.646 -9.161 163 HB2 ASN 25 2HB ASN 25 7.675 -9.254 -7.069 164 HB3 ASN 25 1HB ASN 25 8.751 -8.384 -8.156 165 HD21 ASN 25 1HD2 ASN 25 8.394 -8.757 -10.490 166 HD22 ASN 25 2HD2 ASN 25 6.767 -8.947 -11.040 167 H GLY 26 H GLY 26 9.452 -11.285 -5.739 168 HA2 GLY 26 2HA GLY 26 11.847 -9.706 -5.338 169 HA3 GLY 26 1HA GLY 26 11.008 -10.656 -4.130 170 H CYS 27 H CYS 27 11.097 -13.190 -4.921 171 HA CYS 27 HA CYS 27 13.983 -13.682 -5.102 172 HB2 CYS 27 2HB CYS 27 13.606 -15.755 -3.953 173 HB3 CYS 27 1HB CYS 27 12.774 -14.477 -3.075 174 HG CYS 27 HG CYS 27 10.916 -16.094 -3.168 175 H GLY 28 H GLY 28 11.352 -13.790 -7.134 176 HA2 GLY 28 2HA GLY 28 11.166 -14.645 -9.248 177 HA3 GLY 28 1HA GLY 28 12.809 -15.240 -9.090 178 H CYS 29 H CYS 29 10.817 -16.379 -6.582 179 HA CYS 29 HA CYS 29 10.996 -19.051 -7.578 180 HB2 CYS 29 2HB CYS 29 10.055 -19.762 -5.545 181 HB3 CYS 29 1HB CYS 29 10.984 -18.332 -5.116 182 HG CYS 29 HG CYS 29 8.873 -17.086 -4.598 183 H VAL 30 H VAL 30 9.415 -20.394 -8.349 184 HA VAL 30 HA VAL 30 7.269 -19.078 -9.750 185 HB VAL 30 HB VAL 30 7.391 -22.032 -9.687 186 HG11 VAL 30 1HG1 VAL 30 6.790 -19.873 -11.643 187 HG12 VAL 30 2HG1 VAL 30 5.847 -21.299 -11.210 188 HG13 VAL 30 3HG1 VAL 30 7.270 -21.461 -12.239 189 HG21 VAL 30 1HG2 VAL 30 9.598 -20.293 -10.735 190 HG22 VAL 30 2HG2 VAL 30 9.253 -21.867 -11.452 191 HG23 VAL 30 3HG2 VAL 30 9.709 -21.754 -9.753 192 H PHE 31 H PHE 31 5.131 -19.167 -9.353 193 HA PHE 31 HA PHE 31 4.284 -20.105 -6.748 194 HB2 PHE 31 2HB PHE 31 2.711 -18.756 -8.957 195 HB3 PHE 31 1HB PHE 31 2.112 -19.087 -7.333 196 HD1 PHE 31 1HD PHE 31 3.201 -17.946 -5.384 197 HD2 PHE 31 2HD PHE 31 3.981 -16.842 -9.417 198 HE1 PHE 31 1HE PHE 31 4.081 -15.780 -4.616 199 HE2 PHE 31 2HE PHE 31 4.862 -14.674 -8.659 200 HZ PHE 31 HZ PHE 31 4.914 -14.141 -6.255 201 H THR 32 H THR 32 3.122 -21.836 -6.314 202 HA THR 32 HA THR 32 2.135 -23.487 -8.542 203 HB THR 32 HB THR 32 2.869 -25.487 -7.431 204 HG1 THR 32 1HG THR 32 4.154 -24.075 -5.397 205 HG21 THR 32 1HG2 THR 32 4.698 -23.527 -8.304 206 HG22 THR 32 2HG2 THR 32 4.901 -25.279 -8.261 207 HG23 THR 32 3HG2 THR 32 5.388 -24.300 -6.876 208 H THR 33 H THR 33 0.626 -25.264 -7.666 209 HA THR 33 HA THR 33 -1.711 -24.144 -6.729 210 HB THR 33 HB THR 33 -2.480 -26.422 -6.308 211 HG1 THR 33 1HG THR 33 0.182 -27.261 -6.773 212 HG21 THR 33 1HG2 THR 33 -2.669 -26.735 -8.481 213 HG22 THR 33 2HG2 THR 33 -0.987 -27.259 -8.569 214 HG23 THR 33 3HG2 THR 33 -1.390 -25.552 -8.758 215 H THR 34 H THR 34 0.849 -25.697 -4.802 216 HA THR 34 HA THR 34 -0.659 -25.461 -2.380 217 HB THR 34 HB THR 34 1.361 -26.238 -1.253 218 HG1 THR 34 1HG THR 34 2.606 -25.813 -3.763 219 HG21 THR 34 1HG2 THR 34 1.813 -27.989 -3.457 220 HG22 THR 34 2HG2 THR 34 0.086 -27.671 -3.299 221 HG23 THR 34 3HG2 THR 34 0.995 -28.306 -1.927 222 H VAL 35 H VAL 35 1.552 -23.383 -4.104 223 HA VAL 35 HA VAL 35 1.855 -21.656 -1.768 224 HB VAL 35 HB VAL 35 3.020 -21.499 -4.537 225 HG11 VAL 35 1HG1 VAL 35 3.054 -19.532 -2.288 226 HG12 VAL 35 2HG1 VAL 35 2.790 -19.257 -4.010 227 HG13 VAL 35 3HG1 VAL 35 4.407 -19.629 -3.414 228 HG21 VAL 35 1HG2 VAL 35 4.627 -22.770 -3.682 229 HG22 VAL 35 2HG2 VAL 35 3.852 -22.743 -2.097 230 HG23 VAL 35 3HG2 VAL 35 4.994 -21.473 -2.544 231 H ARG 36 H ARG 36 0.326 -20.304 -1.353 232 HA ARG 36 HA ARG 36 -1.597 -19.390 -3.273 233 HB2 ARG 36 2HB ARG 36 -1.042 -18.514 -0.431 234 HB3 ARG 36 1HB ARG 36 -2.409 -17.969 -1.395 235 HG2 ARG 36 2HG ARG 36 -3.160 -20.328 -1.568 236 HG3 ARG 36 1HG ARG 36 -1.853 -20.780 -0.471 237 HD2 ARG 36 2HD ARG 36 -4.142 -18.910 0.126 238 HD3 ARG 36 1HD ARG 36 -3.925 -20.540 0.760 239 HE ARG 36 HE ARG 36 -1.738 -18.780 1.363 240 HH11 ARG 36 1HH1 ARG 36 -4.893 -19.861 2.360 241 HH12 ARG 36 2HH1 ARG 36 -4.663 -19.423 4.020 242 HH21 ARG 36 1HH2 ARG 36 -1.423 -18.198 3.548 243 HH22 ARG 36 2HH2 ARG 36 -2.691 -18.477 4.695 244 H ARG 37 H ARG 37 -1.810 -17.392 -4.183 245 HA ARG 37 HA ARG 37 0.647 -15.875 -4.453 246 HB2 ARG 37 2HB ARG 37 -0.814 -16.494 -6.398 247 HB3 ARG 37 1HB ARG 37 -2.028 -15.390 -5.768 248 HG2 ARG 37 2HG ARG 37 -0.437 -13.537 -5.990 249 HG3 ARG 37 1HG ARG 37 0.746 -14.659 -6.667 250 HD2 ARG 37 2HD ARG 37 -1.974 -14.108 -7.832 251 HD3 ARG 37 1HD ARG 37 -0.476 -13.370 -8.390 252 HE ARG 37 HE ARG 37 0.126 -15.374 -9.381 253 HH11 ARG 37 1HH1 ARG 37 -2.779 -15.776 -7.496 254 HH12 ARG 37 2HH1 ARG 37 -3.140 -17.336 -8.155 255 HH21 ARG 37 1HH2 ARG 37 -0.345 -17.424 -10.251 256 HH22 ARG 37 2HH2 ARG 37 -1.758 -18.273 -9.720 257 H HIS 38 H HIS 38 0.954 -13.748 -3.829 258 HA HIS 38 HA HIS 38 -1.236 -12.375 -2.475 259 HB2 HIS 38 2HB HIS 38 1.437 -12.897 -1.160 260 HB3 HIS 38 1HB HIS 38 0.151 -11.891 -0.502 261 HD1 HIS 38 1HD HIS 38 -2.216 -13.312 -0.171 262 HD2 HIS 38 2HD HIS 38 1.350 -15.444 -0.264 263 HE1 HIS 38 1HE HIS 38 -2.733 -15.533 0.892 264 HE2 HIS 38 2HE HIS 38 -0.571 -16.822 0.786 265 H HIS 39 H HIS 39 -0.542 -10.131 -1.794 266 HA HIS 39 HA HIS 39 1.391 -9.007 -3.720 267 HB2 HIS 39 2HB HIS 39 -1.298 -7.830 -2.989 268 HB3 HIS 39 1HB HIS 39 -0.113 -7.099 -4.066 269 HD1 HIS 39 1HD HIS 39 0.321 -8.412 -6.357 270 HD2 HIS 39 2HD HIS 39 -3.010 -9.603 -4.176 271 HE1 HIS 39 1HE HIS 39 -1.101 -9.725 -7.963 272 HE2 HIS 39 2HE HIS 39 -3.147 -10.370 -6.643 273 H CYS 40 H CYS 40 2.542 -7.177 -3.070 274 HA CYS 40 HA CYS 40 2.700 -6.753 -0.183 275 HB2 CYS 40 2HB CYS 40 4.808 -7.131 -1.310 276 HB3 CYS 40 1HB CYS 40 4.436 -5.904 -2.516 277 HG CYS 40 HG CYS 40 5.334 -4.175 -1.033 278 H ARG 41 H ARG 41 2.143 -4.854 0.783 279 HA ARG 41 HA ARG 41 0.314 -3.163 -0.577 280 HB2 ARG 41 2HB ARG 41 1.564 -2.865 2.156 281 HB3 ARG 41 1HB ARG 41 0.186 -1.947 1.564 282 HG2 ARG 41 2HG ARG 41 0.214 -4.945 1.812 283 HG3 ARG 41 1HG ARG 41 -0.387 -3.855 3.063 284 HD2 ARG 41 2HD ARG 41 -1.417 -3.959 0.232 285 HD3 ARG 41 1HD ARG 41 -2.172 -4.769 1.603 286 HE ARG 41 HE ARG 41 -1.844 -2.019 2.157 287 HH11 ARG 41 1HH1 ARG 41 -3.761 -4.207 0.243 288 HH12 ARG 41 2HH1 ARG 41 -5.145 -3.166 0.202 289 HH21 ARG 41 1HH2 ARG 41 -3.658 -0.639 2.110 290 HH22 ARG 41 2HH2 ARG 41 -5.086 -1.134 1.263 291 H ASN 42 H ASN 42 3.645 -3.089 -0.567 292 HA ASN 42 HA ASN 42 3.783 -0.171 -0.795 293 HB2 ASN 42 2HB ASN 42 5.887 -2.294 -0.403 294 HB3 ASN 42 1HB ASN 42 6.300 -0.639 -0.826 295 HD21 ASN 42 1HD2 ASN 42 6.303 -2.608 1.651 296 HD22 ASN 42 2HD2 ASN 42 5.911 -1.532 2.944 297 H CYS 43 H CYS 43 5.482 -2.827 -2.460 298 HA CYS 43 HA CYS 43 5.714 -1.250 -4.830 299 HB2 CYS 43 2HB CYS 43 6.830 -3.218 -5.784 300 HB3 CYS 43 1HB CYS 43 7.477 -2.808 -4.200 301 HG CYS 43 HG CYS 43 5.819 -4.841 -3.355 302 H GLY 44 H GLY 44 3.431 -3.580 -3.684 303 HA2 GLY 44 2HA GLY 44 1.398 -4.193 -4.583 304 HA3 GLY 44 1HA GLY 44 1.696 -3.061 -5.894 305 H TYR 45 H TYR 45 4.078 -5.456 -5.240 306 HA TYR 45 HA TYR 45 3.407 -6.782 -7.763 307 HB2 TYR 45 2HB TYR 45 5.928 -6.966 -6.103 308 HB3 TYR 45 1HB TYR 45 5.677 -7.701 -7.679 309 HD1 TYR 45 2HD TYR 45 4.259 -5.404 -9.018 310 HD2 TYR 45 1HD TYR 45 7.736 -5.524 -6.572 311 HE1 TYR 45 2HE TYR 45 5.089 -3.365 -10.110 312 HE2 TYR 45 1HE TYR 45 8.577 -3.483 -7.657 313 HH TYR 45 HH TYR 45 7.376 -2.288 -10.510 314 H VAL 46 H VAL 46 3.652 -9.116 -7.878 315 HA VAL 46 HA VAL 46 2.173 -10.338 -5.759 316 HB VAL 46 HB VAL 46 3.423 -11.599 -8.207 317 HG11 VAL 46 1HG1 VAL 46 3.051 -13.192 -6.355 318 HG12 VAL 46 2HG1 VAL 46 2.030 -13.520 -7.757 319 HG13 VAL 46 3HG1 VAL 46 1.350 -12.729 -6.334 320 HG21 VAL 46 1HG2 VAL 46 0.875 -10.199 -7.695 321 HG22 VAL 46 2HG2 VAL 46 0.767 -11.685 -8.636 322 HG23 VAL 46 3HG2 VAL 46 1.797 -10.366 -9.188 323 H LEU 47 H LEU 47 2.895 -11.480 -4.072 324 HA LEU 47 HA LEU 47 5.654 -12.496 -4.118 325 HB2 LEU 47 2HB LEU 47 4.341 -10.879 -1.937 326 HB3 LEU 47 1HB LEU 47 5.745 -11.882 -1.644 327 HG LEU 47 HG LEU 47 6.324 -9.515 -1.916 328 HD11 LEU 47 1HD1 LEU 47 8.254 -10.356 -2.574 329 HD12 LEU 47 2HD1 LEU 47 7.702 -10.208 -4.242 330 HD13 LEU 47 3HD1 LEU 47 7.450 -11.713 -3.359 331 HD21 LEU 47 1HD2 LEU 47 5.917 -9.484 -4.807 332 HD22 LEU 47 2HD2 LEU 47 5.663 -8.220 -3.604 333 HD23 LEU 47 3HD2 LEU 47 4.429 -9.455 -3.860 334 H CYS 48 H CYS 48 5.927 -14.470 -3.188 335 HA CYS 48 HA CYS 48 3.562 -15.983 -2.533 336 HB2 CYS 48 2HB CYS 48 5.001 -17.902 -2.416 337 HB3 CYS 48 1HB CYS 48 5.571 -16.927 -3.769 338 HG CYS 48 HG CYS 48 7.623 -16.236 -2.393 339 H GLY 49 H GLY 49 3.873 -17.480 -0.408 340 HA2 GLY 49 2HA GLY 49 3.534 -15.809 1.775 341 HA3 GLY 49 1HA GLY 49 3.943 -17.516 1.887 342 H ASP 50 H ASP 50 6.415 -17.722 0.971 343 HA ASP 50 HA ASP 50 8.038 -16.902 3.070 344 HB2 ASP 50 2HB ASP 50 8.693 -17.818 0.274 345 HB3 ASP 50 1HB ASP 50 9.935 -17.495 1.476 346 H CYS 51 H CYS 51 7.440 -15.296 0.017 347 HA CYS 51 HA CYS 51 9.468 -13.294 0.572 348 HB2 CYS 51 2HB CYS 51 7.787 -14.012 -1.760 349 HB3 CYS 51 1HB CYS 51 8.262 -12.322 -1.620 350 HG CYS 51 HG CYS 51 10.741 -13.871 -1.330 351 H SER 52 H SER 52 6.417 -13.802 1.637 352 HA SER 52 HA SER 52 5.991 -10.937 2.087 353 HB2 SER 52 2HB SER 52 3.634 -11.129 1.703 354 HB3 SER 52 1HB SER 52 4.431 -11.867 0.314 355 HG SER 52 HG SER 52 2.721 -13.162 1.119 356 H ARG 53 H ARG 53 7.228 -13.083 3.655 357 HA ARG 53 HA ARG 53 5.330 -13.663 5.761 358 HB2 ARG 53 2HB ARG 53 8.244 -14.348 5.391 359 HB3 ARG 53 1HB ARG 53 7.372 -14.711 6.876 360 HG2 ARG 53 2HG ARG 53 5.746 -16.013 5.467 361 HG3 ARG 53 1HG ARG 53 6.865 -15.790 4.124 362 HD2 ARG 53 2HD ARG 53 7.493 -17.136 6.743 363 HD3 ARG 53 1HD ARG 53 7.216 -17.944 5.200 364 HE ARG 53 HE ARG 53 9.257 -16.222 4.686 365 HH11 ARG 53 1HH1 ARG 53 8.718 -18.714 7.059 366 HH12 ARG 53 2HH1 ARG 53 10.394 -19.136 7.184 367 HH21 ARG 53 1HH2 ARG 53 11.463 -16.771 4.843 368 HH22 ARG 53 2HH2 ARG 53 11.955 -18.030 5.926 369 H HIS 54 H HIS 54 7.533 -11.139 5.012 370 HA HIS 54 HA HIS 54 8.036 -10.407 7.751 371 HB2 HIS 54 2HB HIS 54 8.578 -8.994 5.135 372 HB3 HIS 54 1HB HIS 54 8.998 -8.316 6.699 373 HD1 HIS 54 1HD HIS 54 10.910 -9.517 8.030 374 HD2 HIS 54 2HD HIS 54 10.296 -10.955 4.180 375 HE1 HIS 54 1HE HIS 54 12.941 -10.900 7.499 376 HE2 HIS 54 2HE HIS 54 12.528 -11.797 5.180 377 H ARG 55 H ARG 55 7.483 -8.185 8.511 378 HA ARG 55 HA ARG 55 4.975 -7.157 7.424 379 HB2 ARG 55 2HB ARG 55 5.338 -7.803 10.357 380 HB3 ARG 55 1HB ARG 55 3.916 -7.081 9.612 381 HG2 ARG 55 2HG ARG 55 3.567 -9.129 8.311 382 HG3 ARG 55 1HG ARG 55 4.965 -9.857 9.105 383 HD2 ARG 55 2HD ARG 55 3.056 -10.649 10.258 384 HD3 ARG 55 1HD ARG 55 3.793 -9.430 11.296 385 HE ARG 55 HE ARG 55 1.906 -8.099 9.796 386 HH11 ARG 55 1HH1 ARG 55 1.940 -10.744 12.062 387 HH12 ARG 55 2HH1 ARG 55 0.334 -10.445 12.635 388 HH21 ARG 55 1HH2 ARG 55 -0.214 -7.698 10.542 389 HH22 ARG 55 2HH2 ARG 55 -0.891 -8.714 11.771 390 H ALA 56 H ALA 56 4.806 -4.996 7.518 391 HA ALA 56 HA ALA 56 6.356 -3.417 9.380 392 HB1 ALA 56 1HB ALA 56 7.119 -3.558 6.485 393 HB2 ALA 56 2HB ALA 56 8.146 -3.694 7.912 394 HB3 ALA 56 3HB ALA 56 7.466 -2.130 7.462 395 H ALA 57 H ALA 57 5.837 -1.153 9.345 396 HA ALA 57 HA ALA 57 3.180 -0.641 8.261 397 HB1 ALA 57 1HB ALA 57 4.070 -0.069 10.672 398 HB2 ALA 57 2HB ALA 57 2.966 1.025 9.839 399 HB3 ALA 57 3HB ALA 57 4.696 1.369 9.866 400 H ILE 58 H ILE 58 2.752 1.287 6.994 401 HA ILE 58 HA ILE 58 5.122 2.368 5.638 402 HB ILE 58 HB ILE 58 2.584 1.931 4.126 403 HG12 ILE 58 2HG1 ILE 58 4.725 -0.175 4.515 404 HG13 ILE 58 1HG1 ILE 58 3.117 -0.231 5.229 405 HG21 ILE 58 1HG2 ILE 58 4.506 3.252 3.231 406 HG22 ILE 58 2HG2 ILE 58 4.053 1.869 2.238 407 HG23 ILE 58 3HG2 ILE 58 5.472 1.778 3.277 408 HD11 ILE 58 1HD1 ILE 58 3.879 -1.338 2.835 409 HD12 ILE 58 2HD1 ILE 58 3.039 0.137 2.354 410 HD13 ILE 58 3HD1 ILE 58 2.224 -1.052 3.370 411 HA PRO 59 HA PRO 59 2.478 5.766 7.338 412 HB2 PRO 59 2HB PRO 59 4.586 7.383 7.947 413 HB3 PRO 59 1HB PRO 59 3.947 6.150 9.036 414 HG2 PRO 59 2HG PRO 59 6.307 6.004 7.197 415 HG3 PRO 59 1HG PRO 59 6.160 5.446 8.875 416 HD2 PRO 59 2HD PRO 59 5.983 3.745 6.801 417 HD3 PRO 59 1HD PRO 59 5.009 3.530 8.271 418 H MET 60 H MET 60 4.561 5.490 4.622 419 HA MET 60 HA MET 60 4.112 8.247 3.781 420 HB2 MET 60 2HB MET 60 5.505 5.920 2.435 421 HB3 MET 60 1HB MET 60 5.396 7.543 1.768 422 HG2 MET 60 2HG MET 60 6.609 8.385 3.760 423 HG3 MET 60 1HG MET 60 6.816 6.716 4.287 424 HE1 MET 60 1HE MET 60 8.637 8.519 0.461 425 HE2 MET 60 2HE MET 60 8.203 9.534 1.837 426 HE3 MET 60 3HE MET 60 6.950 8.656 0.960 427 H ARG 61 H ARG 61 3.153 4.972 3.087 428 HA ARG 61 HA ARG 61 1.415 5.704 0.893 429 HB2 ARG 61 2HB ARG 61 1.608 3.070 2.354 430 HB3 ARG 61 1HB ARG 61 0.908 3.350 0.766 431 HG2 ARG 61 2HG ARG 61 3.811 3.709 1.481 432 HG3 ARG 61 1HG ARG 61 3.127 2.321 0.634 433 HD2 ARG 61 2HD ARG 61 2.905 5.149 -0.372 434 HD3 ARG 61 1HD ARG 61 4.230 4.070 -0.807 435 HE ARG 61 HE ARG 61 1.579 3.025 -1.301 436 HH11 ARG 61 1HH1 ARG 61 4.305 4.779 -2.582 437 HH12 ARG 61 2HH1 ARG 61 3.905 4.448 -4.234 438 HH21 ARG 61 1HH2 ARG 61 1.047 2.585 -3.474 439 HH22 ARG 61 2HH2 ARG 61 2.054 3.202 -4.741 440 H GLY 62 H GLY 62 1.207 6.124 4.094 441 HA2 GLY 62 2HA GLY 62 -0.690 7.012 5.194 442 HA3 GLY 62 1HA GLY 62 -1.718 6.200 4.024 443 H ILE 63 H ILE 63 0.660 4.098 5.081 444 HA ILE 63 HA ILE 63 -1.254 2.738 6.817 445 HB ILE 63 HB ILE 63 1.360 1.783 5.634 446 HG12 ILE 63 2HG1 ILE 63 -1.467 1.055 4.848 447 HG13 ILE 63 1HG1 ILE 63 -0.492 2.257 4.008 448 HG21 ILE 63 1HG2 ILE 63 -0.731 0.371 7.266 449 HG22 ILE 63 2HG2 ILE 63 0.998 0.515 7.585 450 HG23 ILE 63 3HG2 ILE 63 0.429 -0.487 6.249 451 HD11 ILE 63 1HD1 ILE 63 0.699 -0.421 4.358 452 HD12 ILE 63 2HD1 ILE 63 0.799 0.704 3.001 453 HD13 ILE 63 3HD1 ILE 63 -0.650 -0.276 3.232 454 H THR 64 H THR 64 -1.108 3.564 8.838 455 HA THR 64 HA THR 64 1.482 4.222 9.975 456 HB THR 64 HB THR 64 0.168 5.023 11.915 457 HG1 THR 64 1HG THR 64 -2.091 4.317 10.358 458 HG21 THR 64 1HG2 THR 64 -0.714 6.943 10.933 459 HG22 THR 64 2HG2 THR 64 -1.111 6.104 9.433 460 HG23 THR 64 3HG2 THR 64 0.575 6.440 9.839 461 H GLU 65 H GLU 65 -0.674 1.569 9.946 462 HA GLU 65 HA GLU 65 0.581 0.417 12.339 463 HB2 GLU 65 2HB GLU 65 -1.791 -0.633 10.782 464 HB3 GLU 65 1HB GLU 65 -1.220 -1.201 12.345 465 HG2 GLU 65 2HG GLU 65 -2.426 1.491 11.750 466 HG3 GLU 65 1HG GLU 65 -3.195 0.158 12.612 467 HA PRO 66 HA PRO 66 3.230 -2.039 9.851 468 HB2 PRO 66 2HB PRO 66 2.710 -4.255 11.767 469 HB3 PRO 66 1HB PRO 66 4.246 -3.530 11.283 470 HG2 PRO 66 2HG PRO 66 3.168 -3.027 13.681 471 HG3 PRO 66 1HG PRO 66 4.047 -1.779 12.780 472 HD2 PRO 66 2HD PRO 66 1.106 -2.131 13.158 473 HD3 PRO 66 1HD PRO 66 2.062 -0.637 13.062 474 H GLU 67 H GLU 67 2.711 -2.937 8.005 475 HA GLU 67 HA GLU 67 0.543 -4.923 7.921 476 HB2 GLU 67 2HB GLU 67 1.195 -2.805 5.862 477 HB3 GLU 67 1HB GLU 67 -0.019 -4.055 5.666 478 HG2 GLU 67 2HG GLU 67 -0.046 -1.893 7.751 479 HG3 GLU 67 1HG GLU 67 -1.018 -1.930 6.283 480 H ARG 68 H ARG 68 0.667 -6.309 5.924 481 HA ARG 68 HA ARG 68 3.225 -7.532 5.816 482 HB2 ARG 68 2HB ARG 68 2.205 -9.096 4.257 483 HB3 ARG 68 1HB ARG 68 1.163 -8.814 5.647 484 HG2 ARG 68 2HG ARG 68 -0.092 -7.155 4.226 485 HG3 ARG 68 1HG ARG 68 0.840 -7.754 2.852 486 HD2 ARG 68 2HD ARG 68 0.005 -10.034 3.340 487 HD3 ARG 68 1HD ARG 68 -0.999 -9.360 4.623 488 HE ARG 68 HE ARG 68 -1.472 -8.074 2.125 489 HH11 ARG 68 1HH1 ARG 68 -2.176 -10.937 3.975 490 HH12 ARG 68 2HH1 ARG 68 -3.680 -11.246 3.174 491 HH21 ARG 68 1HH2 ARG 68 -3.451 -8.469 1.058 492 HH22 ARG 68 2HH2 ARG 68 -4.404 -9.842 1.513 493 H VAL 69 H VAL 69 4.775 -7.488 4.367 494 HA VAL 69 HA VAL 69 4.456 -6.113 1.805 495 HB VAL 69 HB VAL 69 6.520 -4.822 2.120 496 HG11 VAL 69 1HG1 VAL 69 5.572 -3.180 3.814 497 HG12 VAL 69 2HG1 VAL 69 4.237 -4.317 4.002 498 HG13 VAL 69 3HG1 VAL 69 4.556 -3.582 2.428 499 HG21 VAL 69 1HG2 VAL 69 7.790 -5.910 3.725 500 HG22 VAL 69 2HG2 VAL 69 6.429 -6.077 4.837 501 HG23 VAL 69 3HG2 VAL 69 7.194 -4.503 4.609 502 H CYS 70 H CYS 70 6.822 -6.226 0.737 503 HA CYS 70 HA CYS 70 7.585 -9.043 0.905 504 HB2 CYS 70 2HB CYS 70 8.256 -8.952 -1.297 505 HB3 CYS 70 1HB CYS 70 6.946 -7.784 -1.304 506 HG CYS 70 HG CYS 70 8.606 -5.898 -1.561 507 H ASP 71 H ASP 71 10.152 -8.927 -0.096 508 HA ASP 71 HA ASP 71 11.551 -8.082 2.270 509 HB2 ASP 71 2HB ASP 71 12.562 -9.294 -0.311 510 HB3 ASP 71 1HB ASP 71 13.573 -8.978 1.095 511 H ALA 72 H ALA 72 11.559 -6.939 -1.101 512 HA ALA 72 HA ALA 72 13.607 -5.022 -0.681 513 HB1 ALA 72 1HB ALA 72 11.877 -5.823 -2.843 514 HB2 ALA 72 2HB ALA 72 13.477 -5.085 -2.896 515 HB3 ALA 72 3HB ALA 72 12.042 -4.068 -2.776 516 H CYS 73 H CYS 73 10.068 -4.719 -0.679 517 HA CYS 73 HA CYS 73 10.001 -1.939 -0.224 518 HB2 CYS 73 2HB CYS 73 7.934 -3.987 0.609 519 HB3 CYS 73 1HB CYS 73 7.672 -2.260 0.371 520 HG CYS 73 HG CYS 73 8.209 -2.726 -2.220 521 H TYR 74 H TYR 74 10.050 -4.714 1.964 522 HA TYR 74 HA TYR 74 9.628 -3.343 4.366 523 HB2 TYR 74 2HB TYR 74 9.661 -5.811 4.201 524 HB3 TYR 74 1HB TYR 74 11.393 -5.761 3.884 525 HD1 TYR 74 1HD TYR 74 8.793 -5.218 6.441 526 HD2 TYR 74 2HD TYR 74 12.967 -5.468 5.658 527 HE1 TYR 74 1HE TYR 74 9.235 -5.326 8.858 528 HE2 TYR 74 2HE TYR 74 13.420 -5.577 8.072 529 HH TYR 74 HH TYR 74 11.868 -4.652 10.280 530 H LEU 75 H LEU 75 12.520 -3.878 2.454 531 HA LEU 75 HA LEU 75 14.330 -2.667 4.297 532 HB2 LEU 75 2HB LEU 75 14.454 -3.598 1.466 533 HB3 LEU 75 1HB LEU 75 15.735 -2.569 2.073 534 HG LEU 75 HG LEU 75 14.924 -5.146 3.412 535 HD11 LEU 75 1HD1 LEU 75 15.798 -5.282 0.971 536 HD12 LEU 75 2HD1 LEU 75 16.487 -6.335 2.207 537 HD13 LEU 75 3HD1 LEU 75 17.355 -4.885 1.699 538 HD21 LEU 75 1HD2 LEU 75 17.021 -4.964 4.554 539 HD22 LEU 75 2HD2 LEU 75 16.147 -3.446 4.754 540 HD23 LEU 75 3HD2 LEU 75 17.474 -3.553 3.597 541 H ALA 76 H ALA 76 12.984 -1.521 1.192 542 HA ALA 76 HA ALA 76 14.202 0.932 1.084 543 HB1 ALA 76 1HB ALA 76 12.776 0.025 -0.710 544 HB2 ALA 76 2HB ALA 76 12.358 1.691 -0.311 545 HB3 ALA 76 3HB ALA 76 11.350 0.365 0.270 546 H LEU 77 H LEU 77 11.151 0.145 2.726 547 HA LEU 77 HA LEU 77 10.758 2.753 3.777 548 HB2 LEU 77 2HB LEU 77 9.774 0.062 4.740 549 HB3 LEU 77 1HB LEU 77 9.238 1.596 5.396 550 HG LEU 77 HG LEU 77 8.911 0.860 2.490 551 HD11 LEU 77 1HD1 LEU 77 6.883 0.569 4.699 552 HD12 LEU 77 2HD1 LEU 77 7.731 -0.762 3.911 553 HD13 LEU 77 3HD1 LEU 77 6.627 0.252 2.983 554 HD21 LEU 77 1HD2 LEU 77 8.747 3.202 2.791 555 HD22 LEU 77 2HD2 LEU 77 7.781 3.020 4.255 556 HD23 LEU 77 3HD2 LEU 77 7.090 2.605 2.685 557 H ARG 78 H ARG 78 12.324 -0.162 4.910 558 HA ARG 78 HA ARG 78 13.010 0.542 7.500 559 HB2 ARG 78 2HB ARG 78 13.245 -1.706 6.449 560 HB3 ARG 78 1HB ARG 78 14.638 -1.113 5.562 561 HG2 ARG 78 2HG ARG 78 15.708 -0.622 7.778 562 HG3 ARG 78 1HG ARG 78 14.362 -1.488 8.520 563 HD2 ARG 78 2HD ARG 78 14.928 -3.454 7.103 564 HD3 ARG 78 1HD ARG 78 16.362 -2.586 6.557 565 HE ARG 78 HE ARG 78 16.468 -2.592 9.316 566 HH11 ARG 78 1HH1 ARG 78 16.415 -4.950 6.756 567 HH12 ARG 78 2HH1 ARG 78 17.330 -6.125 7.641 568 HH21 ARG 78 1HH2 ARG 78 17.675 -4.133 10.493 569 HH22 ARG 78 2HH2 ARG 78 18.046 -5.660 9.766 570 H SER 79 H SER 79 14.221 1.790 4.520 571 HA SER 79 HA SER 79 16.838 2.486 5.276 572 HB2 SER 79 2HB SER 79 16.814 3.978 3.390 573 HB3 SER 79 1HB SER 79 15.905 2.536 2.941 574 HG SER 79 HG SER 79 14.201 4.237 4.031 575 H SER 80 H SER 80 13.745 3.907 5.981 576 HA SER 80 HA SER 80 14.582 6.493 6.697 577 HB2 SER 80 2HB SER 80 12.249 4.886 7.767 578 HB3 SER 80 1HB SER 80 12.457 6.628 7.941 579 HG SER 80 HG SER 80 12.032 6.910 5.848 580 H ASN 81 H ASN 81 14.842 7.420 8.804 581 HA ASN 81 HA ASN 81 16.289 5.640 10.600 582 HB2 ASN 81 2HB ASN 81 16.005 8.652 10.552 583 HB3 ASN 81 1HB ASN 81 16.960 7.764 11.736 584 HD21 ASN 81 1HD2 ASN 81 18.074 9.695 10.127 585 HD22 ASN 81 2HD2 ASN 81 19.166 8.953 9.014 586 H MET 82 H MET 82 15.651 5.102 12.620 587 HA MET 82 HA MET 82 12.895 5.595 13.319 588 HB2 MET 82 2HB MET 82 15.075 4.022 14.695 589 HB3 MET 82 1HB MET 82 13.415 4.107 15.264 590 HG2 MET 82 2HG MET 82 12.678 3.147 13.100 591 HG3 MET 82 1HG MET 82 14.372 2.954 12.655 592 HE1 MET 82 1HE MET 82 15.516 0.918 15.810 593 HE2 MET 82 2HE MET 82 15.881 2.284 14.757 594 HE3 MET 82 3HE MET 82 15.963 0.639 14.127 595 H ALA 83 H ALA 83 12.140 7.042 14.732 596 HA ALA 83 HA ALA 83 13.779 9.092 15.753 597 HB1 ALA 83 1HB ALA 83 11.837 10.043 16.614 598 HB2 ALA 83 2HB ALA 83 11.065 8.477 16.867 599 HB3 ALA 83 3HB ALA 83 11.256 9.113 15.232 600 H GLY 84 H GLY 84 14.488 9.555 17.828 601 HA2 GLY 84 2HA GLY 84 13.890 8.002 20.113 602 HA3 GLY 84 1HA GLY 84 15.387 7.427 19.398 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 11.765 22.702 -7.303 2 H2 GLY 1 2HT GLY 1 12.576 21.243 -7.030 3 H3 GLY 1 3HT GLY 1 10.904 21.245 -7.287 4 HA2 GLY 1 1HA GLY 1 12.067 22.526 -9.470 5 HA3 GLY 1 2HA GLY 1 12.968 21.044 -9.183 6 HA PRO 2 HA PRO 2 8.182 19.905 -9.847 7 HB2 PRO 2 2HB PRO 2 7.662 22.230 -11.637 8 HB3 PRO 2 1HB PRO 2 6.571 21.409 -10.514 9 HG2 PRO 2 2HG PRO 2 7.620 23.778 -9.903 10 HG3 PRO 2 1HG PRO 2 7.425 22.521 -8.667 11 HD2 PRO 2 2HD PRO 2 9.894 23.441 -10.063 12 HD3 PRO 2 1HD PRO 2 9.683 22.871 -8.395 13 H LEU 3 H LEU 3 7.579 18.635 -11.586 14 HA LEU 3 HA LEU 3 9.515 18.488 -13.749 15 HB2 LEU 3 2HB LEU 3 7.159 16.696 -13.146 16 HB3 LEU 3 1HB LEU 3 8.433 16.374 -14.307 17 HG LEU 3 HG LEU 3 8.691 16.458 -11.304 18 HD11 LEU 3 1HD1 LEU 3 8.109 14.386 -13.143 19 HD12 LEU 3 2HD1 LEU 3 8.395 14.264 -11.408 20 HD13 LEU 3 3HD1 LEU 3 9.744 14.119 -12.536 21 HD21 LEU 3 1HD2 LEU 3 11.089 15.607 -12.106 22 HD22 LEU 3 2HD2 LEU 3 10.731 17.307 -11.800 23 HD23 LEU 3 3HD2 LEU 3 10.713 16.685 -13.450 24 H GLY 4 H GLY 4 9.101 18.903 -15.875 25 HA2 GLY 4 2HA GLY 4 7.180 20.758 -16.599 26 HA3 GLY 4 1HA GLY 4 8.006 19.699 -17.732 27 H SER 5 H SER 5 6.924 17.251 -16.564 28 HA SER 5 HA SER 5 4.116 17.535 -17.415 29 HB2 SER 5 2HB SER 5 5.912 15.135 -17.847 30 HB3 SER 5 1HB SER 5 4.241 15.297 -18.387 31 HG SER 5 HG SER 5 6.565 16.413 -19.418 32 H MET 6 H MET 6 2.555 16.308 -16.331 33 HA MET 6 HA MET 6 3.476 15.019 -13.847 34 HB2 MET 6 2HB MET 6 1.060 16.786 -14.248 35 HB3 MET 6 1HB MET 6 1.317 15.796 -12.819 36 HG2 MET 6 2HG MET 6 3.426 17.012 -12.407 37 HG3 MET 6 1HG MET 6 3.052 18.056 -13.777 38 HE1 MET 6 1HE MET 6 2.397 20.524 -10.882 39 HE2 MET 6 2HE MET 6 3.311 20.157 -12.345 40 HE3 MET 6 3HE MET 6 3.640 19.273 -10.855 41 H GLY 7 H GLY 7 2.164 13.307 -13.035 42 HA2 GLY 7 2HA GLY 7 0.124 12.233 -14.830 43 HA3 GLY 7 1HA GLY 7 1.554 11.245 -14.565 44 H GLU 8 H GLU 8 -0.282 13.277 -12.303 45 HA GLU 8 HA GLU 8 -0.183 11.324 -10.260 46 HB2 GLU 8 2HB GLU 8 -1.918 13.788 -10.522 47 HB3 GLU 8 1HB GLU 8 -1.784 12.814 -9.064 48 HG2 GLU 8 2HG GLU 8 0.637 13.303 -9.003 49 HG3 GLU 8 1HG GLU 8 0.427 14.358 -10.399 50 H LYS 9 H LYS 9 -2.123 11.501 -12.999 51 HA LYS 9 HA LYS 9 -4.564 10.491 -12.015 52 HB2 LYS 9 2HB LYS 9 -3.243 10.138 -14.717 53 HB3 LYS 9 1HB LYS 9 -4.900 9.674 -14.355 54 HG2 LYS 9 2HG LYS 9 -5.415 12.017 -13.807 55 HG3 LYS 9 1HG LYS 9 -3.768 12.462 -14.256 56 HD2 LYS 9 2HD LYS 9 -4.187 11.578 -16.526 57 HD3 LYS 9 1HD LYS 9 -5.856 11.243 -16.063 58 HE2 LYS 9 2HE LYS 9 -5.034 13.978 -15.477 59 HE3 LYS 9 1HE LYS 9 -4.919 13.577 -17.191 60 HZ1 LYS 9 1HZ LYS 9 -7.244 12.750 -17.028 61 HZ2 LYS 9 2HZ LYS 9 -7.086 14.415 -16.782 62 HZ3 LYS 9 3HZ LYS 9 -7.323 13.386 -15.462 63 H GLN 10 H GLN 10 -1.521 9.213 -11.932 64 HA GLN 10 HA GLN 10 -1.952 6.467 -12.435 65 HB2 GLN 10 2HB GLN 10 0.267 7.438 -12.440 66 HB3 GLN 10 1HB GLN 10 0.097 7.926 -10.758 67 HG2 GLN 10 2HG GLN 10 0.050 5.598 -10.072 68 HG3 GLN 10 1HG GLN 10 0.151 5.083 -11.756 69 HE21 GLN 10 1HE2 GLN 10 2.005 4.108 -10.136 70 HE22 GLN 10 2HE2 GLN 10 3.535 4.871 -10.386 71 H SER 11 H SER 11 -2.250 4.760 -10.965 72 HA SER 11 HA SER 11 -3.576 5.561 -8.469 73 HB2 SER 11 2HB SER 11 -4.737 3.453 -8.541 74 HB3 SER 11 1HB SER 11 -4.848 4.179 -10.146 75 HG SER 11 HG SER 11 -4.195 1.842 -9.905 76 H LYS 12 H LYS 12 -3.114 4.497 -6.514 77 HA LYS 12 HA LYS 12 -0.381 3.461 -6.366 78 HB2 LYS 12 2HB LYS 12 -2.285 4.390 -4.210 79 HB3 LYS 12 1HB LYS 12 -0.661 3.791 -3.910 80 HG2 LYS 12 2HG LYS 12 0.220 5.647 -5.309 81 HG3 LYS 12 1HG LYS 12 -1.426 6.277 -5.424 82 HD2 LYS 12 2HD LYS 12 -1.492 6.384 -2.938 83 HD3 LYS 12 1HD LYS 12 0.208 5.912 -2.914 84 HE2 LYS 12 2HE LYS 12 0.598 8.120 -2.935 85 HE3 LYS 12 1HE LYS 12 0.253 7.995 -4.660 86 HZ1 LYS 12 1HZ LYS 12 -1.865 8.523 -2.661 87 HZ2 LYS 12 2HZ LYS 12 -1.931 8.744 -4.337 88 HZ3 LYS 12 3HZ LYS 12 -0.981 9.771 -3.387 89 H GLY 13 H GLY 13 0.135 1.491 -5.375 90 HA2 GLY 13 2HA GLY 13 -0.203 -0.649 -4.583 91 HA3 GLY 13 1HA GLY 13 -1.867 -0.205 -4.238 92 H TYR 14 H TYR 14 0.129 -0.599 -7.184 93 HA TYR 14 HA TYR 14 -2.120 -1.613 -8.640 94 HB2 TYR 14 2HB TYR 14 -0.381 -0.332 -9.779 95 HB3 TYR 14 1HB TYR 14 0.811 -1.564 -9.375 96 HD1 TYR 14 2HD TYR 14 -2.188 -0.844 -11.399 97 HD2 TYR 14 1HD TYR 14 0.993 -3.569 -10.653 98 HE1 TYR 14 2HE TYR 14 -2.737 -2.047 -13.473 99 HE2 TYR 14 1HE TYR 14 0.452 -4.776 -12.726 100 HH TYR 14 HH TYR 14 -0.909 -4.924 -14.471 101 H TRP 15 H TRP 15 -2.825 -3.634 -8.659 102 HA TRP 15 HA TRP 15 -1.194 -5.751 -7.475 103 HB2 TRP 15 2HB TRP 15 -3.336 -7.093 -7.726 104 HB3 TRP 15 1HB TRP 15 -3.410 -5.718 -6.628 105 HD1 TRP 15 HD TRP 15 -4.817 -7.002 -9.923 106 HE1 TRP 15 1HE TRP 15 -6.749 -5.470 -10.660 107 HE3 TRP 15 3HE TRP 15 -4.253 -3.267 -6.476 108 HZ2 TRP 15 2HZ TRP 15 -7.881 -3.002 -9.885 109 HZ3 TRP 15 3HZ TRP 15 -5.801 -1.356 -6.544 110 HH2 TRP 15 HH TRP 15 -7.577 -1.227 -8.215 111 H GLN 16 H GLN 16 0.028 -7.013 -8.719 112 HA GLN 16 HA GLN 16 -0.433 -7.158 -11.587 113 HB2 GLN 16 2HB GLN 16 1.878 -6.941 -10.640 114 HB3 GLN 16 1HB GLN 16 1.684 -8.528 -9.909 115 HG2 GLN 16 2HG GLN 16 1.435 -9.523 -12.125 116 HG3 GLN 16 1HG GLN 16 1.634 -7.932 -12.859 117 HE21 GLN 16 1HE2 GLN 16 3.287 -9.883 -13.649 118 HE22 GLN 16 2HE2 GLN 16 4.878 -9.642 -13.021 119 H GLU 17 H GLU 17 -1.353 -8.748 -12.636 120 HA GLU 17 HA GLU 17 -2.958 -10.604 -11.330 121 HB2 GLU 17 2HB GLU 17 -2.041 -10.532 -14.199 122 HB3 GLU 17 1HB GLU 17 -3.333 -11.561 -13.592 123 HG2 GLU 17 2HG GLU 17 -4.572 -9.558 -12.894 124 HG3 GLU 17 1HG GLU 17 -3.291 -8.552 -13.572 125 H ASP 18 H ASP 18 -2.978 -12.878 -11.378 126 HA ASP 18 HA ASP 18 -0.684 -14.203 -10.483 127 HB2 ASP 18 2HB ASP 18 -3.144 -15.344 -11.816 128 HB3 ASP 18 1HB ASP 18 -1.963 -16.266 -10.892 129 H GLU 19 H GLU 19 -2.142 -14.091 -13.715 130 HA GLU 19 HA GLU 19 -0.361 -15.916 -14.904 131 HB2 GLU 19 2HB GLU 19 -2.104 -13.761 -16.085 132 HB3 GLU 19 1HB GLU 19 -1.174 -14.885 -17.065 133 HG2 GLU 19 2HG GLU 19 -2.390 -16.756 -16.042 134 HG3 GLU 19 1HG GLU 19 -3.343 -15.605 -15.106 135 H ASP 20 H ASP 20 -0.304 -12.366 -14.734 136 HA ASP 20 HA ASP 20 1.997 -12.113 -16.384 137 HB2 ASP 20 2HB ASP 20 0.766 -10.201 -14.387 138 HB3 ASP 20 1HB ASP 20 2.093 -9.782 -15.465 139 H ALA 21 H ALA 21 1.455 -12.629 -13.009 140 HA ALA 21 HA ALA 21 4.357 -12.505 -12.501 141 HB1 ALA 21 1HB ALA 21 3.958 -11.551 -10.517 142 HB2 ALA 21 2HB ALA 21 2.649 -12.671 -10.142 143 HB3 ALA 21 3HB ALA 21 2.334 -11.246 -11.134 144 HA PRO 22 HA PRO 22 3.105 -16.993 -12.313 145 HB2 PRO 22 2HB PRO 22 5.045 -17.925 -13.933 146 HB3 PRO 22 1HB PRO 22 3.537 -17.255 -14.568 147 HG2 PRO 22 2HG PRO 22 6.215 -15.936 -14.284 148 HG3 PRO 22 1HG PRO 22 5.107 -15.920 -15.669 149 HD2 PRO 22 2HD PRO 22 5.252 -13.876 -13.900 150 HD3 PRO 22 1HD PRO 22 3.743 -14.320 -14.721 151 H ALA 23 H ALA 23 5.889 -15.119 -11.701 152 HA ALA 23 HA ALA 23 6.848 -17.106 -9.767 153 HB1 ALA 23 1HB ALA 23 9.042 -17.042 -10.466 154 HB2 ALA 23 2HB ALA 23 8.846 -15.496 -11.291 155 HB3 ALA 23 3HB ALA 23 8.186 -16.967 -12.007 156 H CYS 24 H CYS 24 8.097 -16.164 -8.012 157 HA CYS 24 HA CYS 24 6.953 -13.799 -7.037 158 HB2 CYS 24 2HB CYS 24 8.002 -15.728 -5.730 159 HB3 CYS 24 1HB CYS 24 9.552 -14.952 -6.046 160 HG CYS 24 HG CYS 24 8.264 -12.807 -4.806 161 H ASN 25 H ASN 25 7.396 -11.763 -7.364 162 HA ASN 25 HA ASN 25 9.340 -10.839 -9.159 163 HB2 ASN 25 2HB ASN 25 7.707 -9.411 -7.058 164 HB3 ASN 25 1HB ASN 25 8.765 -8.569 -8.185 165 HD21 ASN 25 1HD2 ASN 25 5.706 -9.900 -7.685 166 HD22 ASN 25 2HD2 ASN 25 5.096 -9.729 -9.292 167 H GLY 26 H GLY 26 9.481 -11.468 -5.739 168 HA2 GLY 26 2HA GLY 26 11.884 -9.895 -5.372 169 HA3 GLY 26 1HA GLY 26 11.072 -10.857 -4.153 170 H CYS 27 H CYS 27 11.156 -13.385 -4.984 171 HA CYS 27 HA CYS 27 14.042 -13.863 -5.217 172 HB2 CYS 27 2HB CYS 27 13.636 -16.010 -4.139 173 HB3 CYS 27 1HB CYS 27 12.977 -14.693 -3.172 174 HG CYS 27 HG CYS 27 11.380 -16.921 -3.612 175 H GLY 28 H GLY 28 11.442 -13.893 -7.243 176 HA2 GLY 28 2HA GLY 28 11.200 -14.754 -9.344 177 HA3 GLY 28 1HA GLY 28 12.839 -15.366 -9.210 178 H CYS 29 H CYS 29 10.924 -16.512 -6.665 179 HA CYS 29 HA CYS 29 11.046 -19.179 -7.656 180 HB2 CYS 29 2HB CYS 29 10.161 -19.861 -5.606 181 HB3 CYS 29 1HB CYS 29 11.029 -18.385 -5.196 182 HG CYS 29 HG CYS 29 7.972 -18.743 -5.143 183 H VAL 30 H VAL 30 9.433 -20.510 -8.426 184 HA VAL 30 HA VAL 30 7.296 -19.144 -9.794 185 HB VAL 30 HB VAL 30 7.384 -22.103 -9.779 186 HG11 VAL 30 1HG1 VAL 30 7.283 -21.326 -12.353 187 HG12 VAL 30 2HG1 VAL 30 6.593 -19.905 -11.568 188 HG13 VAL 30 3HG1 VAL 30 5.863 -21.491 -11.319 189 HG21 VAL 30 1HG2 VAL 30 9.709 -21.810 -9.892 190 HG22 VAL 30 2HG2 VAL 30 9.566 -20.367 -10.896 191 HG23 VAL 30 3HG2 VAL 30 9.196 -21.953 -11.574 192 H PHE 31 H PHE 31 5.156 -19.247 -9.435 193 HA PHE 31 HA PHE 31 4.264 -20.166 -6.837 194 HB2 PHE 31 2HB PHE 31 2.807 -18.737 -9.072 195 HB3 PHE 31 1HB PHE 31 2.097 -19.117 -7.504 196 HD1 PHE 31 2HD PHE 31 3.205 -18.142 -5.433 197 HD2 PHE 31 1HD PHE 31 4.049 -16.800 -9.380 198 HE1 PHE 31 2HE PHE 31 4.132 -16.053 -4.522 199 HE2 PHE 31 1HE PHE 31 4.980 -14.711 -8.477 200 HZ PHE 31 HZ PHE 31 5.021 -14.334 -6.045 201 H THR 32 H THR 32 3.013 -21.857 -6.421 202 HA THR 32 HA THR 32 2.045 -23.480 -8.678 203 HB THR 32 HB THR 32 2.714 -25.508 -7.571 204 HG1 THR 32 1HG THR 32 4.114 -25.057 -5.578 205 HG21 THR 32 1HG2 THR 32 4.792 -25.382 -8.307 206 HG22 THR 32 2HG2 THR 32 5.246 -24.296 -6.993 207 HG23 THR 32 3HG2 THR 32 4.572 -23.641 -8.486 208 H THR 33 H THR 33 0.463 -25.206 -7.859 209 HA THR 33 HA THR 33 -1.859 -24.056 -6.969 210 HB THR 33 HB THR 33 -0.997 -26.909 -6.500 211 HG1 THR 33 1HG THR 33 -1.562 -27.293 -8.527 212 HG21 THR 33 1HG2 THR 33 -3.172 -25.955 -5.424 213 HG22 THR 33 2HG2 THR 33 -3.180 -27.521 -6.237 214 HG23 THR 33 3HG2 THR 33 -3.797 -26.091 -7.066 215 H THR 34 H THR 34 0.644 -25.584 -4.956 216 HA THR 34 HA THR 34 -0.892 -25.292 -2.574 217 HB THR 34 HB THR 34 1.110 -26.006 -1.390 218 HG1 THR 34 1HG THR 34 2.575 -26.055 -3.778 219 HG21 THR 34 1HG2 THR 34 0.660 -27.480 -3.966 220 HG22 THR 34 2HG2 THR 34 0.010 -27.850 -2.369 221 HG23 THR 34 3HG2 THR 34 1.731 -28.059 -2.690 222 H VAL 35 H VAL 35 1.261 -23.162 -4.309 223 HA VAL 35 HA VAL 35 1.433 -21.406 -1.969 224 HB VAL 35 HB VAL 35 2.759 -21.172 -4.662 225 HG11 VAL 35 1HG1 VAL 35 4.027 -19.327 -3.652 226 HG12 VAL 35 2HG1 VAL 35 3.037 -19.458 -2.198 227 HG13 VAL 35 3HG1 VAL 35 2.299 -18.978 -3.727 228 HG21 VAL 35 1HG2 VAL 35 3.464 -22.522 -2.193 229 HG22 VAL 35 2HG2 VAL 35 4.689 -21.352 -2.689 230 HG23 VAL 35 3HG2 VAL 35 4.198 -22.641 -3.791 231 H ARG 36 H ARG 36 -0.142 -20.066 -1.683 232 HA ARG 36 HA ARG 36 -1.905 -19.188 -3.777 233 HB2 ARG 36 2HB ARG 36 -1.658 -18.320 -0.891 234 HB3 ARG 36 1HB ARG 36 -2.936 -17.811 -1.985 235 HG2 ARG 36 2HG ARG 36 -3.620 -20.171 -2.229 236 HG3 ARG 36 1HG ARG 36 -2.395 -20.618 -1.039 237 HD2 ARG 36 2HD ARG 36 -3.508 -19.038 0.558 238 HD3 ARG 36 1HD ARG 36 -4.804 -18.858 -0.623 239 HE ARG 36 HE ARG 36 -4.617 -21.548 -0.251 240 HH11 ARG 36 1HH1 ARG 36 -5.032 -18.811 1.858 241 HH12 ARG 36 2HH1 ARG 36 -5.956 -19.686 3.031 242 HH21 ARG 36 1HH2 ARG 36 -5.840 -22.717 1.291 243 HH22 ARG 36 2HH2 ARG 36 -6.416 -21.907 2.709 244 H ARG 37 H ARG 37 -2.193 -17.065 -4.526 245 HA ARG 37 HA ARG 37 0.280 -15.591 -4.763 246 HB2 ARG 37 2HB ARG 37 -1.269 -15.841 -6.687 247 HB3 ARG 37 1HB ARG 37 -2.462 -14.882 -5.822 248 HG2 ARG 37 2HG ARG 37 -0.940 -12.975 -5.821 249 HG3 ARG 37 1HG ARG 37 0.264 -13.937 -6.677 250 HD2 ARG 37 2HD ARG 37 -0.935 -12.498 -8.218 251 HD3 ARG 37 1HD ARG 37 -1.279 -14.192 -8.555 252 HE ARG 37 HE ARG 37 -3.370 -13.741 -7.151 253 HH11 ARG 37 1HH1 ARG 37 -1.837 -11.373 -9.209 254 HH12 ARG 37 2HH1 ARG 37 -3.299 -10.490 -9.485 255 HH21 ARG 37 1HH2 ARG 37 -5.288 -12.588 -7.523 256 HH22 ARG 37 2HH2 ARG 37 -5.259 -11.180 -8.531 257 H HIS 38 H HIS 38 0.757 -13.601 -3.949 258 HA HIS 38 HA HIS 38 -1.214 -12.279 -2.245 259 HB2 HIS 38 2HB HIS 38 1.591 -12.972 -1.345 260 HB3 HIS 38 1HB HIS 38 0.437 -11.995 -0.442 261 HD1 HIS 38 1HD HIS 38 -1.885 -13.354 0.142 262 HD2 HIS 38 2HD HIS 38 1.499 -15.609 -0.711 263 HE1 HIS 38 1HE HIS 38 -2.334 -15.631 1.110 264 HE2 HIS 38 2HE HIS 38 -0.321 -17.010 0.479 265 H HIS 39 H HIS 39 -0.570 -10.061 -1.674 266 HA HIS 39 HA HIS 39 1.315 -8.910 -3.631 267 HB2 HIS 39 2HB HIS 39 -1.336 -7.709 -2.812 268 HB3 HIS 39 1HB HIS 39 -0.196 -7.036 -3.973 269 HD1 HIS 39 1HD HIS 39 0.285 -8.807 -6.072 270 HD2 HIS 39 2HD HIS 39 -3.304 -9.124 -4.004 271 HE1 HIS 39 1HE HIS 39 -1.256 -10.083 -7.593 272 HE2 HIS 39 2HE HIS 39 -3.386 -10.358 -6.274 273 H CYS 40 H CYS 40 2.484 -7.099 -2.992 274 HA CYS 40 HA CYS 40 2.646 -6.672 -0.109 275 HB2 CYS 40 2HB CYS 40 4.765 -7.065 -1.186 276 HB3 CYS 40 1HB CYS 40 4.406 -5.888 -2.445 277 HG CYS 40 HG CYS 40 4.619 -4.723 0.380 278 H ARG 41 H ARG 41 2.042 -4.776 0.833 279 HA ARG 41 HA ARG 41 0.265 -3.100 -0.605 280 HB2 ARG 41 2HB ARG 41 0.114 -3.730 1.827 281 HB3 ARG 41 1HB ARG 41 1.411 -2.584 2.132 282 HG2 ARG 41 2HG ARG 41 -0.658 -1.529 2.632 283 HG3 ARG 41 1HG ARG 41 -0.018 -0.801 1.157 284 HD2 ARG 41 2HD ARG 41 -1.492 -2.247 -0.171 285 HD3 ARG 41 1HD ARG 41 -2.147 -2.933 1.316 286 HE ARG 41 HE ARG 41 -2.885 -0.473 0.108 287 HH11 ARG 41 1HH1 ARG 41 -2.430 -2.007 3.204 288 HH12 ARG 41 2HH1 ARG 41 -3.584 -1.001 4.014 289 HH21 ARG 41 1HH2 ARG 41 -4.396 0.858 1.167 290 HH22 ARG 41 2HH2 ARG 41 -4.703 0.626 2.855 291 H ASN 42 H ASN 42 3.574 -3.045 -0.563 292 HA ASN 42 HA ASN 42 3.739 -0.127 -0.777 293 HB2 ASN 42 2HB ASN 42 5.844 -2.250 -0.375 294 HB3 ASN 42 1HB ASN 42 6.242 -0.577 -0.742 295 HD21 ASN 42 1HD2 ASN 42 6.243 -2.589 1.689 296 HD22 ASN 42 2HD2 ASN 42 5.765 -1.560 2.990 297 H CYS 43 H CYS 43 5.482 -2.767 -2.419 298 HA CYS 43 HA CYS 43 5.723 -1.185 -4.785 299 HB2 CYS 43 2HB CYS 43 6.917 -3.098 -5.719 300 HB3 CYS 43 1HB CYS 43 7.499 -2.723 -4.103 301 HG CYS 43 HG CYS 43 5.782 -4.819 -3.431 302 H GLY 44 H GLY 44 3.463 -3.560 -3.686 303 HA2 GLY 44 2HA GLY 44 1.447 -4.182 -4.624 304 HA3 GLY 44 1HA GLY 44 1.770 -3.063 -5.939 305 H TYR 45 H TYR 45 4.145 -5.449 -5.221 306 HA TYR 45 HA TYR 45 3.496 -6.805 -7.737 307 HB2 TYR 45 2HB TYR 45 6.011 -6.943 -6.069 308 HB3 TYR 45 1HB TYR 45 5.773 -7.708 -7.632 309 HD1 TYR 45 1HD TYR 45 4.473 -5.587 -9.186 310 HD2 TYR 45 2HD TYR 45 7.670 -5.355 -6.390 311 HE1 TYR 45 1HE TYR 45 5.297 -3.558 -10.306 312 HE2 TYR 45 2HE TYR 45 8.502 -3.326 -7.500 313 HH TYR 45 HH TYR 45 7.164 -1.410 -9.079 314 H VAL 46 H VAL 46 3.760 -9.136 -7.824 315 HA VAL 46 HA VAL 46 2.326 -10.353 -5.651 316 HB VAL 46 HB VAL 46 3.422 -11.552 -8.198 317 HG11 VAL 46 1HG1 VAL 46 3.362 -13.268 -6.492 318 HG12 VAL 46 2HG1 VAL 46 2.053 -13.528 -7.646 319 HG13 VAL 46 3HG1 VAL 46 1.711 -12.825 -6.065 320 HG21 VAL 46 1HG2 VAL 46 0.744 -10.530 -7.328 321 HG22 VAL 46 2HG2 VAL 46 0.865 -11.765 -8.580 322 HG23 VAL 46 3HG2 VAL 46 1.638 -10.196 -8.812 323 H LEU 47 H LEU 47 3.112 -11.495 -3.995 324 HA LEU 47 HA LEU 47 5.881 -12.485 -4.137 325 HB2 LEU 47 2HB LEU 47 4.580 -11.023 -1.834 326 HB3 LEU 47 1HB LEU 47 6.079 -11.912 -1.693 327 HG LEU 47 HG LEU 47 6.334 -9.444 -1.871 328 HD11 LEU 47 1HD1 LEU 47 7.641 -11.374 -3.698 329 HD12 LEU 47 2HD1 LEU 47 8.312 -10.440 -2.361 330 HD13 LEU 47 3HD1 LEU 47 7.988 -9.660 -3.910 331 HD21 LEU 47 1HD2 LEU 47 4.465 -9.547 -3.796 332 HD22 LEU 47 2HD2 LEU 47 5.930 -9.493 -4.778 333 HD23 LEU 47 3HD2 LEU 47 5.606 -8.219 -3.598 334 H CYS 48 H CYS 48 6.221 -14.462 -3.187 335 HA CYS 48 HA CYS 48 3.875 -16.021 -2.545 336 HB2 CYS 48 2HB CYS 48 5.305 -17.916 -2.526 337 HB3 CYS 48 1HB CYS 48 5.958 -16.879 -3.792 338 HG CYS 48 HG CYS 48 7.736 -16.109 -1.860 339 H GLY 49 H GLY 49 4.295 -17.542 -0.413 340 HA2 GLY 49 2HA GLY 49 3.946 -15.862 1.776 341 HA3 GLY 49 1HA GLY 49 4.389 -17.559 1.885 342 H ASP 50 H ASP 50 6.847 -17.711 0.893 343 HA ASP 50 HA ASP 50 8.506 -16.864 2.947 344 HB2 ASP 50 2HB ASP 50 9.112 -17.714 0.123 345 HB3 ASP 50 1HB ASP 50 10.381 -17.329 1.279 346 H CYS 51 H CYS 51 7.728 -15.223 -0.040 347 HA CYS 51 HA CYS 51 9.696 -13.151 0.508 348 HB2 CYS 51 2HB CYS 51 8.046 -13.923 -1.835 349 HB3 CYS 51 1HB CYS 51 8.475 -12.222 -1.685 350 HG CYS 51 HG CYS 51 10.998 -12.935 -1.762 351 H SER 52 H SER 52 6.636 -13.765 1.550 352 HA SER 52 HA SER 52 6.115 -10.910 1.994 353 HB2 SER 52 2HB SER 52 3.756 -11.199 1.615 354 HB3 SER 52 1HB SER 52 4.597 -11.848 0.208 355 HG SER 52 HG SER 52 2.821 -13.101 1.523 356 H ARG 53 H ARG 53 7.377 -13.017 3.604 357 HA ARG 53 HA ARG 53 5.449 -13.660 5.663 358 HB2 ARG 53 2HB ARG 53 8.281 -14.364 5.101 359 HB3 ARG 53 1HB ARG 53 7.765 -14.407 6.781 360 HG2 ARG 53 2HG ARG 53 6.409 -15.896 4.543 361 HG3 ARG 53 1HG ARG 53 7.604 -16.590 5.637 362 HD2 ARG 53 2HD ARG 53 6.134 -16.020 7.539 363 HD3 ARG 53 1HD ARG 53 4.927 -15.431 6.398 364 HE ARG 53 HE ARG 53 4.299 -17.588 6.036 365 HH11 ARG 53 1HH1 ARG 53 7.505 -17.594 7.394 366 HH12 ARG 53 2HH1 ARG 53 7.580 -19.318 7.536 367 HH21 ARG 53 1HH2 ARG 53 4.383 -19.851 6.225 368 HH22 ARG 53 2HH2 ARG 53 5.802 -20.603 6.872 369 H HIS 54 H HIS 54 7.628 -11.079 4.977 370 HA HIS 54 HA HIS 54 8.050 -10.333 7.713 371 HB2 HIS 54 2HB HIS 54 8.586 -8.917 5.102 372 HB3 HIS 54 1HB HIS 54 8.937 -8.198 6.665 373 HD1 HIS 54 1HD HIS 54 10.872 -9.279 8.058 374 HD2 HIS 54 2HD HIS 54 10.421 -10.804 4.217 375 HE1 HIS 54 1HE HIS 54 12.998 -10.534 7.579 376 HE2 HIS 54 2HE HIS 54 12.697 -11.463 5.256 377 H ARG 55 H ARG 55 7.484 -8.126 8.458 378 HA ARG 55 HA ARG 55 4.958 -7.113 7.403 379 HB2 ARG 55 2HB ARG 55 5.371 -7.839 10.310 380 HB3 ARG 55 1HB ARG 55 3.947 -7.054 9.633 381 HG2 ARG 55 2HG ARG 55 3.529 -9.036 8.247 382 HG3 ARG 55 1HG ARG 55 4.918 -9.829 8.993 383 HD2 ARG 55 2HD ARG 55 3.800 -9.505 11.209 384 HD3 ARG 55 1HD ARG 55 2.375 -8.938 10.341 385 HE ARG 55 HE ARG 55 1.890 -11.110 9.786 386 HH11 ARG 55 1HH1 ARG 55 5.166 -10.916 10.943 387 HH12 ARG 55 2HH1 ARG 55 5.384 -12.634 11.010 388 HH21 ARG 55 1HH2 ARG 55 2.162 -13.380 9.877 389 HH22 ARG 55 2HH2 ARG 55 3.678 -14.034 10.404 390 H ALA 56 H ALA 56 4.820 -4.959 7.476 391 HA ALA 56 HA ALA 56 6.365 -3.389 9.356 392 HB1 ALA 56 1HB ALA 56 7.573 -2.127 7.569 393 HB2 ALA 56 2HB ALA 56 7.066 -3.375 6.430 394 HB3 ALA 56 3HB ALA 56 8.111 -3.793 7.788 395 H ALA 57 H ALA 57 5.829 -1.139 9.355 396 HA ALA 57 HA ALA 57 3.170 -0.627 8.308 397 HB1 ALA 57 1HB ALA 57 4.980 0.910 10.167 398 HB2 ALA 57 2HB ALA 57 3.506 0.033 10.577 399 HB3 ALA 57 3HB ALA 57 3.416 1.512 9.620 400 H ILE 58 H ILE 58 2.728 1.385 7.103 401 HA ILE 58 HA ILE 58 5.045 2.387 5.612 402 HB ILE 58 HB ILE 58 2.450 1.887 4.201 403 HG12 ILE 58 2HG1 ILE 58 4.680 -0.143 4.472 404 HG13 ILE 58 1HG1 ILE 58 3.138 -0.241 5.313 405 HG21 ILE 58 1HG2 ILE 58 4.254 3.266 3.190 406 HG22 ILE 58 2HG2 ILE 58 3.837 1.838 2.244 407 HG23 ILE 58 3HG2 ILE 58 5.301 1.848 3.225 408 HD11 ILE 58 1HD1 ILE 58 3.718 -1.395 2.915 409 HD12 ILE 58 2HD1 ILE 58 2.870 0.071 2.429 410 HD13 ILE 58 3HD1 ILE 58 2.096 -1.070 3.529 411 HA PRO 59 HA PRO 59 2.441 5.798 7.368 412 HB2 PRO 59 2HB PRO 59 4.580 7.414 7.908 413 HB3 PRO 59 1HB PRO 59 3.940 6.211 9.032 414 HG2 PRO 59 2HG PRO 59 6.281 6.014 7.179 415 HG3 PRO 59 1HG PRO 59 6.130 5.463 8.858 416 HD2 PRO 59 2HD PRO 59 5.931 3.764 6.777 417 HD3 PRO 59 1HD PRO 59 4.977 3.550 8.261 418 H MET 60 H MET 60 4.567 5.543 4.647 419 HA MET 60 HA MET 60 4.089 8.277 3.792 420 HB2 MET 60 2HB MET 60 5.378 5.947 2.347 421 HB3 MET 60 1HB MET 60 5.378 7.619 1.807 422 HG2 MET 60 2HG MET 60 6.733 6.511 4.253 423 HG3 MET 60 1HG MET 60 7.508 7.076 2.775 424 HE1 MET 60 1HE MET 60 7.590 9.693 2.049 425 HE2 MET 60 2HE MET 60 6.694 10.935 2.924 426 HE3 MET 60 3HE MET 60 5.826 9.650 2.084 427 H ARG 61 H ARG 61 3.076 5.010 3.125 428 HA ARG 61 HA ARG 61 1.271 5.762 0.988 429 HB2 ARG 61 2HB ARG 61 1.523 3.116 2.417 430 HB3 ARG 61 1HB ARG 61 0.761 3.409 0.858 431 HG2 ARG 61 2HG ARG 61 3.689 3.765 1.467 432 HG3 ARG 61 1HG ARG 61 2.973 2.391 0.622 433 HD2 ARG 61 2HD ARG 61 2.676 5.229 -0.323 434 HD3 ARG 61 1HD ARG 61 4.018 4.197 -0.815 435 HE ARG 61 HE ARG 61 1.380 3.091 -1.253 436 HH11 ARG 61 1HH1 ARG 61 4.028 4.931 -2.570 437 HH12 ARG 61 2HH1 ARG 61 3.601 4.613 -4.218 438 HH21 ARG 61 1HH2 ARG 61 0.810 2.662 -3.420 439 HH22 ARG 61 2HH2 ARG 61 1.770 3.325 -4.701 440 H GLY 62 H GLY 62 1.151 6.174 4.201 441 HA2 GLY 62 2HA GLY 62 -0.722 7.033 5.354 442 HA3 GLY 62 1HA GLY 62 -1.772 6.233 4.197 443 H ILE 63 H ILE 63 0.653 4.154 5.248 444 HA ILE 63 HA ILE 63 -1.249 2.797 7.010 445 HB ILE 63 HB ILE 63 1.294 1.798 5.719 446 HG12 ILE 63 2HG1 ILE 63 -1.555 1.110 4.987 447 HG13 ILE 63 1HG1 ILE 63 -0.648 2.394 4.193 448 HG21 ILE 63 1HG2 ILE 63 0.545 -0.425 6.378 449 HG22 ILE 63 2HG2 ILE 63 -0.860 0.280 7.179 450 HG23 ILE 63 3HG2 ILE 63 0.761 0.617 7.785 451 HD11 ILE 63 1HD1 ILE 63 -0.622 0.328 2.909 452 HD12 ILE 63 2HD1 ILE 63 0.137 -0.508 4.266 453 HD13 ILE 63 3HD1 ILE 63 0.997 0.788 3.433 454 H THR 64 H THR 64 -0.983 3.703 9.005 455 HA THR 64 HA THR 64 1.657 4.253 10.061 456 HB THR 64 HB THR 64 0.422 5.058 12.055 457 HG1 THR 64 1HG THR 64 -1.989 4.747 10.684 458 HG21 THR 64 1HG2 THR 64 0.683 6.387 9.789 459 HG22 THR 64 2HG2 THR 64 -0.241 7.027 11.149 460 HG23 THR 64 3HG2 THR 64 -1.076 6.256 9.801 461 H GLU 65 H GLU 65 -0.515 1.619 10.076 462 HA GLU 65 HA GLU 65 0.765 0.464 12.453 463 HB2 GLU 65 2HB GLU 65 -1.708 -0.375 10.922 464 HB3 GLU 65 1HB GLU 65 -1.042 -1.253 12.293 465 HG2 GLU 65 2HG GLU 65 -1.676 0.358 13.808 466 HG3 GLU 65 1HG GLU 65 -1.740 1.630 12.588 467 HA PRO 66 HA PRO 66 3.323 -2.031 9.924 468 HB2 PRO 66 2HB PRO 66 3.321 -4.384 11.411 469 HB3 PRO 66 1HB PRO 66 4.385 -3.003 11.698 470 HG2 PRO 66 2HG PRO 66 1.857 -3.771 13.081 471 HG3 PRO 66 1HG PRO 66 3.327 -3.038 13.748 472 HD2 PRO 66 2HD PRO 66 1.084 -1.606 13.287 473 HD3 PRO 66 1HD PRO 66 2.707 -0.908 13.107 474 H GLU 67 H GLU 67 2.774 -2.914 8.088 475 HA GLU 67 HA GLU 67 0.584 -4.875 8.014 476 HB2 GLU 67 2HB GLU 67 1.226 -2.740 5.970 477 HB3 GLU 67 1HB GLU 67 0.000 -3.980 5.775 478 HG2 GLU 67 2HG GLU 67 0.011 -1.860 7.906 479 HG3 GLU 67 1HG GLU 67 -0.961 -1.841 6.435 480 H ARG 68 H ARG 68 0.663 -6.230 5.970 481 HA ARG 68 HA ARG 68 3.212 -7.486 5.826 482 HB2 ARG 68 2HB ARG 68 2.167 -9.042 4.294 483 HB3 ARG 68 1HB ARG 68 1.121 -8.742 5.676 484 HG2 ARG 68 2HG ARG 68 -0.116 -7.086 4.241 485 HG3 ARG 68 1HG ARG 68 0.828 -7.687 2.875 486 HD2 ARG 68 2HD ARG 68 -0.010 -9.971 3.375 487 HD3 ARG 68 1HD ARG 68 -1.043 -9.278 4.623 488 HE ARG 68 HE ARG 68 -1.679 -7.886 2.366 489 HH11 ARG 68 1HH1 ARG 68 -1.603 -11.258 3.241 490 HH12 ARG 68 2HH1 ARG 68 -2.884 -11.700 2.162 491 HH21 ARG 68 1HH2 ARG 68 -3.367 -8.458 0.943 492 HH22 ARG 68 2HH2 ARG 68 -3.885 -10.109 0.855 493 H VAL 69 H VAL 69 4.726 -7.464 4.349 494 HA VAL 69 HA VAL 69 4.388 -6.096 1.790 495 HB VAL 69 HB VAL 69 6.420 -4.773 2.075 496 HG11 VAL 69 1HG1 VAL 69 4.478 -3.536 2.472 497 HG12 VAL 69 2HG1 VAL 69 5.508 -3.190 3.864 498 HG13 VAL 69 3HG1 VAL 69 4.177 -4.336 4.016 499 HG21 VAL 69 1HG2 VAL 69 6.428 -6.049 4.782 500 HG22 VAL 69 2HG2 VAL 69 7.167 -4.466 4.538 501 HG23 VAL 69 3HG2 VAL 69 7.751 -5.862 3.630 502 H CYS 70 H CYS 70 6.771 -6.196 0.726 503 HA CYS 70 HA CYS 70 7.531 -9.016 0.854 504 HB2 CYS 70 2HB CYS 70 8.279 -8.856 -1.337 505 HB3 CYS 70 1HB CYS 70 6.930 -7.728 -1.341 506 HG CYS 70 HG CYS 70 9.657 -7.021 -2.136 507 H ASP 71 H ASP 71 10.149 -8.735 -0.200 508 HA ASP 71 HA ASP 71 11.497 -7.973 2.247 509 HB2 ASP 71 2HB ASP 71 12.539 -9.191 -0.318 510 HB3 ASP 71 1HB ASP 71 13.539 -8.862 1.095 511 H ALA 72 H ALA 72 11.533 -6.804 -1.116 512 HA ALA 72 HA ALA 72 13.584 -4.901 -0.668 513 HB1 ALA 72 1HB ALA 72 12.681 -3.838 -2.775 514 HB2 ALA 72 2HB ALA 72 11.468 -5.117 -2.791 515 HB3 ALA 72 3HB ALA 72 13.179 -5.526 -2.908 516 H CYS 73 H CYS 73 10.048 -4.615 -0.645 517 HA CYS 73 HA CYS 73 9.938 -1.847 -0.157 518 HB2 CYS 73 2HB CYS 73 7.915 -3.933 0.686 519 HB3 CYS 73 1HB CYS 73 7.620 -2.215 0.425 520 HG CYS 73 HG CYS 73 8.562 -3.785 -2.042 521 H TYR 74 H TYR 74 10.072 -4.637 2.011 522 HA TYR 74 HA TYR 74 9.650 -3.288 4.426 523 HB2 TYR 74 2HB TYR 74 9.722 -5.761 4.231 524 HB3 TYR 74 1HB TYR 74 11.454 -5.672 3.922 525 HD1 TYR 74 2HD TYR 74 8.830 -5.252 6.472 526 HD2 TYR 74 1HD TYR 74 13.015 -5.314 5.705 527 HE1 TYR 74 2HE TYR 74 9.266 -5.367 8.891 528 HE2 TYR 74 1HE TYR 74 13.462 -5.429 8.119 529 HH TYR 74 HH TYR 74 11.618 -4.588 10.376 530 H LEU 75 H LEU 75 12.520 -3.756 2.466 531 HA LEU 75 HA LEU 75 14.373 -2.565 4.274 532 HB2 LEU 75 2HB LEU 75 14.403 -3.440 1.433 533 HB3 LEU 75 1HB LEU 75 15.659 -2.342 1.966 534 HG LEU 75 HG LEU 75 15.111 -4.903 3.439 535 HD11 LEU 75 1HD1 LEU 75 15.482 -5.579 1.160 536 HD12 LEU 75 2HD1 LEU 75 16.935 -5.913 2.101 537 HD13 LEU 75 3HD1 LEU 75 16.880 -4.512 1.031 538 HD21 LEU 75 1HD2 LEU 75 17.339 -4.638 4.241 539 HD22 LEU 75 2HD2 LEU 75 16.518 -3.089 4.444 540 HD23 LEU 75 3HD2 LEU 75 17.651 -3.319 3.111 541 H ALA 76 H ALA 76 12.880 -1.342 1.275 542 HA ALA 76 HA ALA 76 14.092 1.143 1.279 543 HB1 ALA 76 1HB ALA 76 11.523 1.574 0.249 544 HB2 ALA 76 2HB ALA 76 11.917 -0.104 -0.120 545 HB3 ALA 76 3HB ALA 76 12.991 1.190 -0.650 546 H LEU 77 H LEU 77 11.028 0.194 2.816 547 HA LEU 77 HA LEU 77 10.479 2.785 3.852 548 HB2 LEU 77 2HB LEU 77 9.569 0.068 4.809 549 HB3 LEU 77 1HB LEU 77 8.948 1.592 5.409 550 HG LEU 77 HG LEU 77 8.743 0.727 2.527 551 HD11 LEU 77 1HD1 LEU 77 6.383 0.267 3.045 552 HD12 LEU 77 2HD1 LEU 77 6.723 0.529 4.755 553 HD13 LEU 77 3HD1 LEU 77 7.482 -0.814 3.899 554 HD21 LEU 77 1HD2 LEU 77 7.289 2.882 4.055 555 HD22 LEU 77 2HD2 LEU 77 7.153 2.529 2.332 556 HD23 LEU 77 3HD2 LEU 77 8.664 3.164 2.986 557 H ARG 78 H ARG 78 12.109 -0.065 5.069 558 HA ARG 78 HA ARG 78 12.602 0.723 7.685 559 HB2 ARG 78 2HB ARG 78 12.942 -1.544 6.985 560 HB3 ARG 78 1HB ARG 78 14.156 -1.055 5.812 561 HG2 ARG 78 2HG ARG 78 14.894 -0.177 8.449 562 HG3 ARG 78 1HG ARG 78 14.570 -1.911 8.431 563 HD2 ARG 78 2HD ARG 78 16.031 -1.536 6.132 564 HD3 ARG 78 1HD ARG 78 16.773 -0.399 7.256 565 HE ARG 78 HE ARG 78 16.902 -3.270 7.359 566 HH11 ARG 78 1HH1 ARG 78 17.106 -0.325 9.199 567 HH12 ARG 78 2HH1 ARG 78 18.085 -1.016 10.449 568 HH21 ARG 78 1HH2 ARG 78 18.200 -4.197 9.002 569 HH22 ARG 78 2HH2 ARG 78 18.709 -3.215 10.336 570 H SER 79 H SER 79 13.944 1.954 4.762 571 HA SER 79 HA SER 79 16.514 2.688 5.642 572 HB2 SER 79 2HB SER 79 14.754 4.111 3.635 573 HB3 SER 79 1HB SER 79 16.506 4.254 3.778 574 HG SER 79 HG SER 79 16.717 2.469 2.695 575 H SER 80 H SER 80 13.376 4.271 5.903 576 HA SER 80 HA SER 80 14.348 6.729 6.936 577 HB2 SER 80 2HB SER 80 11.604 5.478 7.223 578 HB3 SER 80 1HB SER 80 12.004 7.169 7.529 579 HG SER 80 HG SER 80 12.519 5.952 5.033 580 H ASN 81 H ASN 81 14.097 7.550 9.083 581 HA ASN 81 HA ASN 81 14.585 5.498 11.117 582 HB2 ASN 81 2HB ASN 81 15.104 8.481 11.130 583 HB3 ASN 81 1HB ASN 81 15.456 7.399 12.474 584 HD21 ASN 81 1HD2 ASN 81 17.267 9.066 10.952 585 HD22 ASN 81 2HD2 ASN 81 18.448 8.008 10.264 586 H MET 82 H MET 82 13.140 5.086 12.676 587 HA MET 82 HA MET 82 10.632 6.521 12.663 588 HB2 MET 82 2HB MET 82 11.596 4.157 14.278 589 HB3 MET 82 1HB MET 82 9.972 4.822 14.377 590 HG2 MET 82 2HG MET 82 9.701 4.350 11.952 591 HG3 MET 82 1HG MET 82 11.267 3.538 11.988 592 HE1 MET 82 1HE MET 82 10.568 0.608 14.504 593 HE2 MET 82 2HE MET 82 11.085 2.228 14.968 594 HE3 MET 82 3HE MET 82 11.784 1.453 13.547 595 H ALA 83 H ALA 83 9.922 7.950 14.146 596 HA ALA 83 HA ALA 83 11.729 9.288 15.821 597 HB1 ALA 83 1HB ALA 83 10.077 10.777 16.069 598 HB2 ALA 83 2HB ALA 83 8.916 9.549 16.577 599 HB3 ALA 83 3HB ALA 83 9.232 9.807 14.861 600 H GLY 84 H GLY 84 11.931 9.372 18.083 601 HA2 GLY 84 2HA GLY 84 11.820 8.600 20.259 602 HA3 GLY 84 1HA GLY 84 10.472 7.577 19.783 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -8.218 2.204 -10.532 2 H2 GLY 1 2HT GLY 1 -9.861 1.999 -10.876 3 H3 GLY 1 3HT GLY 1 -9.352 3.310 -9.936 4 HA2 GLY 1 1HA GLY 1 -8.705 2.874 -12.801 5 HA3 GLY 1 2HA GLY 1 -9.888 4.018 -12.186 6 HA PRO 2 HA PRO 2 -6.170 6.592 -12.940 7 HB2 PRO 2 2HB PRO 2 -8.258 8.632 -12.354 8 HB3 PRO 2 1HB PRO 2 -7.075 8.577 -13.664 9 HG2 PRO 2 2HG PRO 2 -9.637 8.014 -14.123 10 HG3 PRO 2 1HG PRO 2 -8.344 7.106 -14.929 11 HD2 PRO 2 2HD PRO 2 -10.082 6.304 -12.636 12 HD3 PRO 2 1HD PRO 2 -9.456 5.323 -13.976 13 H LEU 3 H LEU 3 -4.833 7.617 -11.511 14 HA LEU 3 HA LEU 3 -5.465 7.344 -8.709 15 HB2 LEU 3 2HB LEU 3 -2.999 8.490 -10.019 16 HB3 LEU 3 1HB LEU 3 -3.163 8.052 -8.330 17 HG LEU 3 HG LEU 3 -3.180 6.161 -10.681 18 HD11 LEU 3 1HD1 LEU 3 -1.114 7.198 -8.957 19 HD12 LEU 3 2HD1 LEU 3 -0.976 6.187 -10.395 20 HD13 LEU 3 3HD1 LEU 3 -1.239 5.446 -8.816 21 HD21 LEU 3 1HD2 LEU 3 -3.485 5.569 -7.741 22 HD22 LEU 3 2HD2 LEU 3 -3.348 4.376 -9.032 23 HD23 LEU 3 3HD2 LEU 3 -4.755 5.436 -8.956 24 H GLY 4 H GLY 4 -5.661 8.983 -7.202 25 HA2 GLY 4 2HA GLY 4 -5.931 11.139 -6.398 26 HA3 GLY 4 1HA GLY 4 -5.374 11.750 -7.949 27 H SER 5 H SER 5 -8.035 9.500 -7.522 28 HA SER 5 HA SER 5 -9.865 11.602 -8.476 29 HB2 SER 5 2HB SER 5 -9.999 8.614 -8.945 30 HB3 SER 5 1HB SER 5 -11.191 9.787 -9.505 31 HG SER 5 HG SER 5 -9.286 10.810 -10.574 32 H MET 6 H MET 6 -11.966 11.677 -7.627 33 HA MET 6 HA MET 6 -12.194 11.254 -4.884 34 HB2 MET 6 2HB MET 6 -14.347 11.648 -6.966 35 HB3 MET 6 1HB MET 6 -14.633 11.698 -5.232 36 HG2 MET 6 2HG MET 6 -12.987 13.561 -5.084 37 HG3 MET 6 1HG MET 6 -12.914 13.565 -6.845 38 HE1 MET 6 1HE MET 6 -16.535 13.276 -7.429 39 HE2 MET 6 2HE MET 6 -14.965 13.452 -8.214 40 HE3 MET 6 3HE MET 6 -16.065 14.828 -8.126 41 H GLY 7 H GLY 7 -13.084 9.191 -7.584 42 HA2 GLY 7 2HA GLY 7 -14.772 7.382 -6.320 43 HA3 GLY 7 1HA GLY 7 -13.695 6.975 -7.647 44 H GLU 8 H GLU 8 -14.539 5.731 -4.924 45 HA GLU 8 HA GLU 8 -11.934 5.407 -3.670 46 HB2 GLU 8 2HB GLU 8 -14.644 4.277 -2.945 47 HB3 GLU 8 1HB GLU 8 -13.174 4.028 -2.012 48 HG2 GLU 8 2HG GLU 8 -13.010 6.464 -1.680 49 HG3 GLU 8 1HG GLU 8 -14.536 6.658 -2.540 50 H LYS 9 H LYS 9 -13.105 4.133 -6.359 51 HA LYS 9 HA LYS 9 -12.732 1.329 -5.899 52 HB2 LYS 9 2HB LYS 9 -12.768 2.950 -8.454 53 HB3 LYS 9 1HB LYS 9 -12.669 1.195 -8.404 54 HG2 LYS 9 2HG LYS 9 -14.841 1.111 -7.278 55 HG3 LYS 9 1HG LYS 9 -14.940 2.871 -7.350 56 HD2 LYS 9 2HD LYS 9 -16.229 1.948 -9.160 57 HD3 LYS 9 1HD LYS 9 -14.790 2.722 -9.827 58 HE2 LYS 9 2HE LYS 9 -14.020 0.799 -10.665 59 HE3 LYS 9 1HE LYS 9 -14.365 -0.082 -9.179 60 HZ1 LYS 9 1HZ LYS 9 -16.329 -0.799 -9.960 61 HZ2 LYS 9 2HZ LYS 9 -15.650 -0.487 -11.476 62 HZ3 LYS 9 3HZ LYS 9 -16.681 0.648 -10.764 63 H GLN 10 H GLN 10 -10.691 3.869 -5.829 64 HA GLN 10 HA GLN 10 -8.416 2.972 -7.241 65 HB2 GLN 10 2HB GLN 10 -8.717 5.299 -6.639 66 HB3 GLN 10 1HB GLN 10 -8.749 4.892 -4.929 67 HG2 GLN 10 2HG GLN 10 -6.412 4.163 -5.075 68 HG3 GLN 10 1HG GLN 10 -6.391 4.598 -6.784 69 HE21 GLN 10 1HE2 GLN 10 -4.533 5.730 -5.273 70 HE22 GLN 10 2HE2 GLN 10 -4.889 7.392 -4.964 71 H SER 11 H SER 11 -6.576 1.921 -6.513 72 HA SER 11 HA SER 11 -6.859 0.520 -3.936 73 HB2 SER 11 2HB SER 11 -5.561 -1.312 -4.896 74 HB3 SER 11 1HB SER 11 -6.954 -0.970 -5.920 75 HG SER 11 HG SER 11 -4.776 0.495 -6.629 76 H LYS 12 H LYS 12 -4.933 0.159 -2.701 77 HA LYS 12 HA LYS 12 -3.279 2.386 -2.459 78 HB2 LYS 12 2HB LYS 12 -2.806 -0.450 -1.522 79 HB3 LYS 12 1HB LYS 12 -1.862 0.940 -1.005 80 HG2 LYS 12 2HG LYS 12 -3.946 1.947 -0.104 81 HG3 LYS 12 1HG LYS 12 -4.789 0.451 -0.508 82 HD2 LYS 12 2HD LYS 12 -3.163 -0.774 0.930 83 HD3 LYS 12 1HD LYS 12 -2.493 0.784 1.420 84 HE2 LYS 12 2HE LYS 12 -4.093 -0.059 3.066 85 HE3 LYS 12 1HE LYS 12 -4.655 1.441 2.331 86 HZ1 LYS 12 1HZ LYS 12 -5.520 -1.227 1.375 87 HZ2 LYS 12 2HZ LYS 12 -6.207 0.277 1.021 88 HZ3 LYS 12 3HZ LYS 12 -6.355 -0.373 2.575 89 H GLY 13 H GLY 13 -2.789 -0.644 -4.196 90 HA2 GLY 13 2HA GLY 13 -0.649 0.644 -5.716 91 HA3 GLY 13 1HA GLY 13 -0.240 -0.835 -4.860 92 H TYR 14 H TYR 14 0.115 -0.814 -7.529 93 HA TYR 14 HA TYR 14 -2.226 -1.805 -8.884 94 HB2 TYR 14 2HB TYR 14 -0.501 -0.513 -10.083 95 HB3 TYR 14 1HB TYR 14 0.656 -1.809 -9.798 96 HD1 TYR 14 1HD TYR 14 -2.377 -0.834 -11.637 97 HD2 TYR 14 2HD TYR 14 0.583 -3.840 -11.085 98 HE1 TYR 14 1HE TYR 14 -3.130 -1.945 -13.697 99 HE2 TYR 14 2HE TYR 14 -0.159 -4.959 -13.145 100 HH TYR 14 HH TYR 14 -1.466 -3.998 -15.395 101 H TRP 15 H TRP 15 -2.911 -3.823 -8.850 102 HA TRP 15 HA TRP 15 -1.264 -5.912 -7.662 103 HB2 TRP 15 2HB TRP 15 -3.289 -7.265 -7.692 104 HB3 TRP 15 1HB TRP 15 -3.639 -5.680 -7.008 105 HD1 TRP 15 HD TRP 15 -5.009 -3.945 -8.634 106 HE1 TRP 15 1HE TRP 15 -6.735 -4.431 -10.480 107 HE3 TRP 15 3HE TRP 15 -3.941 -8.874 -9.463 108 HZ2 TRP 15 2HZ TRP 15 -7.540 -6.618 -12.076 109 HZ3 TRP 15 3HZ TRP 15 -5.236 -10.092 -11.166 110 HH2 TRP 15 HH TRP 15 -6.998 -8.986 -12.444 111 H GLN 16 H GLN 16 0.020 -7.143 -8.865 112 HA GLN 16 HA GLN 16 -0.357 -7.309 -11.744 113 HB2 GLN 16 2HB GLN 16 1.915 -7.009 -10.708 114 HB3 GLN 16 1HB GLN 16 1.757 -8.618 -10.017 115 HG2 GLN 16 2HG GLN 16 1.640 -9.586 -12.241 116 HG3 GLN 16 1HG GLN 16 1.741 -7.979 -12.957 117 HE21 GLN 16 1HE2 GLN 16 3.539 -9.766 -13.764 118 HE22 GLN 16 2HE2 GLN 16 5.098 -9.434 -13.099 119 H GLU 17 H GLU 17 -1.280 -8.884 -12.784 120 HA GLU 17 HA GLU 17 -2.817 -10.800 -11.512 121 HB2 GLU 17 2HB GLU 17 -1.872 -10.699 -14.372 122 HB3 GLU 17 1HB GLU 17 -3.117 -11.790 -13.779 123 HG2 GLU 17 2HG GLU 17 -4.460 -9.846 -13.094 124 HG3 GLU 17 1HG GLU 17 -3.227 -8.783 -13.771 125 H ASP 18 H ASP 18 -2.764 -13.059 -11.520 126 HA ASP 18 HA ASP 18 -0.424 -14.309 -10.617 127 HB2 ASP 18 2HB ASP 18 -2.909 -15.010 -10.424 128 HB3 ASP 18 1HB ASP 18 -2.643 -15.800 -11.973 129 H GLU 19 H GLU 19 -1.954 -14.325 -13.808 130 HA GLU 19 HA GLU 19 -0.170 -16.140 -15.005 131 HB2 GLU 19 2HB GLU 19 -1.950 -14.018 -16.198 132 HB3 GLU 19 1HB GLU 19 -1.048 -15.176 -17.162 133 HG2 GLU 19 2HG GLU 19 -2.250 -17.009 -16.058 134 HG3 GLU 19 1HG GLU 19 -3.174 -15.827 -15.134 135 H ASP 20 H ASP 20 -0.165 -12.597 -14.888 136 HA ASP 20 HA ASP 20 2.128 -12.336 -16.563 137 HB2 ASP 20 2HB ASP 20 0.827 -10.401 -14.635 138 HB3 ASP 20 1HB ASP 20 2.154 -9.977 -15.714 139 H ALA 21 H ALA 21 1.558 -12.760 -13.179 140 HA ALA 21 HA ALA 21 4.455 -12.590 -12.652 141 HB1 ALA 21 1HB ALA 21 3.983 -12.008 -10.402 142 HB2 ALA 21 2HB ALA 21 2.274 -12.407 -10.584 143 HB3 ALA 21 3HB ALA 21 2.944 -11.000 -11.409 144 HA PRO 22 HA PRO 22 3.133 -17.059 -12.246 145 HB2 PRO 22 2HB PRO 22 5.047 -18.079 -13.852 146 HB3 PRO 22 1HB PRO 22 3.518 -17.457 -14.478 147 HG2 PRO 22 2HG PRO 22 6.191 -16.111 -14.357 148 HG3 PRO 22 1HG PRO 22 5.034 -16.174 -15.700 149 HD2 PRO 22 2HD PRO 22 5.233 -14.034 -14.057 150 HD3 PRO 22 1HD PRO 22 3.694 -14.534 -14.789 151 H ALA 23 H ALA 23 5.891 -15.169 -11.690 152 HA ALA 23 HA ALA 23 6.895 -17.128 -9.748 153 HB1 ALA 23 1HB ALA 23 9.004 -15.537 -11.017 154 HB2 ALA 23 2HB ALA 23 8.219 -16.691 -12.097 155 HB3 ALA 23 3HB ALA 23 8.968 -17.251 -10.601 156 H CYS 24 H CYS 24 8.115 -16.153 -7.987 157 HA CYS 24 HA CYS 24 6.926 -13.791 -7.041 158 HB2 CYS 24 2HB CYS 24 7.911 -15.645 -5.652 159 HB3 CYS 24 1HB CYS 24 9.504 -15.004 -6.045 160 HG CYS 24 HG CYS 24 9.106 -13.030 -4.550 161 H ASN 25 H ASN 25 7.364 -11.749 -7.381 162 HA ASN 25 HA ASN 25 9.304 -10.829 -9.174 163 HB2 ASN 25 2HB ASN 25 7.714 -9.387 -7.049 164 HB3 ASN 25 1HB ASN 25 8.735 -8.562 -8.222 165 HD21 ASN 25 1HD2 ASN 25 5.703 -9.902 -7.602 166 HD22 ASN 25 2HD2 ASN 25 5.039 -9.757 -9.190 167 H GLY 26 H GLY 26 9.466 -11.457 -5.751 168 HA2 GLY 26 2HA GLY 26 11.890 -9.896 -5.422 169 HA3 GLY 26 1HA GLY 26 11.056 -10.803 -4.176 170 H CYS 27 H CYS 27 11.071 -13.356 -4.937 171 HA CYS 27 HA CYS 27 13.941 -13.927 -5.106 172 HB2 CYS 27 2HB CYS 27 13.454 -16.032 -4.014 173 HB3 CYS 27 1HB CYS 27 12.727 -14.713 -3.102 174 HG CYS 27 HG CYS 27 10.997 -16.644 -3.297 175 H GLY 28 H GLY 28 11.314 -13.974 -7.168 176 HA2 GLY 28 2HA GLY 28 11.134 -14.816 -9.289 177 HA3 GLY 28 1HA GLY 28 12.769 -15.433 -9.123 178 H CYS 29 H CYS 29 10.739 -16.537 -6.631 179 HA CYS 29 HA CYS 29 10.892 -19.216 -7.607 180 HB2 CYS 29 2HB CYS 29 9.890 -19.889 -5.583 181 HB3 CYS 29 1HB CYS 29 10.868 -18.488 -5.155 182 HG CYS 29 HG CYS 29 7.871 -17.964 -5.643 183 H VAL 30 H VAL 30 9.305 -20.528 -8.421 184 HA VAL 30 HA VAL 30 7.196 -19.169 -9.826 185 HB VAL 30 HB VAL 30 7.226 -22.126 -9.741 186 HG11 VAL 30 1HG1 VAL 30 7.143 -21.522 -12.311 187 HG12 VAL 30 2HG1 VAL 30 6.636 -19.956 -11.676 188 HG13 VAL 30 3HG1 VAL 30 5.715 -21.408 -11.283 189 HG21 VAL 30 1HG2 VAL 30 9.487 -22.130 -9.941 190 HG22 VAL 30 2HG2 VAL 30 9.546 -20.480 -10.563 191 HG23 VAL 30 3HG2 VAL 30 9.088 -21.808 -11.628 192 H PHE 31 H PHE 31 5.062 -19.202 -9.452 193 HA PHE 31 HA PHE 31 4.169 -20.072 -6.843 194 HB2 PHE 31 2HB PHE 31 2.725 -18.640 -9.083 195 HB3 PHE 31 1HB PHE 31 2.011 -19.006 -7.516 196 HD1 PHE 31 2HD PHE 31 3.031 -17.985 -5.455 197 HD2 PHE 31 1HD PHE 31 4.070 -16.748 -9.392 198 HE1 PHE 31 2HE PHE 31 3.942 -15.887 -4.550 199 HE2 PHE 31 1HE PHE 31 4.983 -14.647 -8.494 200 HZ PHE 31 HZ PHE 31 4.920 -14.214 -6.071 201 H THR 32 H THR 32 2.935 -21.752 -6.399 202 HA THR 32 HA THR 32 1.891 -23.376 -8.624 203 HB THR 32 HB THR 32 2.594 -25.391 -7.574 204 HG1 THR 32 1HG THR 32 3.434 -25.458 -5.523 205 HG21 THR 32 1HG2 THR 32 4.758 -25.279 -8.062 206 HG22 THR 32 2HG2 THR 32 5.062 -24.040 -6.844 207 HG23 THR 32 3HG2 THR 32 4.456 -23.583 -8.437 208 H THR 33 H THR 33 0.266 -25.029 -7.803 209 HA THR 33 HA THR 33 -1.991 -23.824 -6.806 210 HB THR 33 HB THR 33 -1.194 -26.717 -6.432 211 HG1 THR 33 1HG THR 33 -1.423 -25.482 -8.649 212 HG21 THR 33 1HG2 THR 33 -3.941 -26.438 -6.980 213 HG22 THR 33 2HG2 THR 33 -3.557 -25.345 -5.649 214 HG23 THR 33 3HG2 THR 33 -3.171 -27.062 -5.521 215 H THR 34 H THR 34 0.535 -25.497 -4.949 216 HA THR 34 HA THR 34 -0.820 -25.240 -2.478 217 HB THR 34 HB THR 34 2.160 -25.562 -2.893 218 HG1 THR 34 1HG THR 34 0.762 -27.820 -2.343 219 HG21 THR 34 1HG2 THR 34 1.607 -27.080 -0.773 220 HG22 THR 34 2HG2 THR 34 0.381 -25.830 -0.557 221 HG23 THR 34 3HG2 THR 34 2.087 -25.388 -0.647 222 H VAL 35 H VAL 35 1.494 -23.146 -4.171 223 HA VAL 35 HA VAL 35 1.588 -21.352 -1.883 224 HB VAL 35 HB VAL 35 2.872 -21.092 -4.599 225 HG11 VAL 35 1HG1 VAL 35 4.197 -19.306 -3.576 226 HG12 VAL 35 2HG1 VAL 35 3.271 -19.477 -2.085 227 HG13 VAL 35 3HG1 VAL 35 2.474 -18.926 -3.559 228 HG21 VAL 35 1HG2 VAL 35 3.613 -22.558 -2.218 229 HG22 VAL 35 2HG2 VAL 35 4.838 -21.368 -2.662 230 HG23 VAL 35 3HG2 VAL 35 4.330 -22.591 -3.829 231 H ARG 36 H ARG 36 0.020 -20.007 -1.592 232 HA ARG 36 HA ARG 36 -1.792 -19.169 -3.654 233 HB2 ARG 36 2HB ARG 36 -1.473 -18.256 -0.791 234 HB3 ARG 36 1HB ARG 36 -2.789 -17.775 -1.856 235 HG2 ARG 36 2HG ARG 36 -3.438 -20.154 -2.057 236 HG3 ARG 36 1HG ARG 36 -2.181 -20.560 -0.888 237 HD2 ARG 36 2HD ARG 36 -3.299 -18.972 0.708 238 HD3 ARG 36 1HD ARG 36 -4.627 -18.859 -0.446 239 HE ARG 36 HE ARG 36 -4.332 -21.533 -0.031 240 HH11 ARG 36 1HH1 ARG 36 -4.829 -18.778 2.039 241 HH12 ARG 36 2HH1 ARG 36 -5.687 -19.676 3.247 242 HH21 ARG 36 1HH2 ARG 36 -5.457 -22.726 1.552 243 HH22 ARG 36 2HH2 ARG 36 -6.043 -21.922 2.970 244 H ARG 37 H ARG 37 -2.112 -17.115 -4.467 245 HA ARG 37 HA ARG 37 0.294 -15.575 -4.838 246 HB2 ARG 37 2HB ARG 37 -1.253 -15.956 -6.696 247 HB3 ARG 37 1HB ARG 37 -2.533 -15.128 -5.821 248 HG2 ARG 37 2HG ARG 37 -1.394 -13.035 -5.999 249 HG3 ARG 37 1HG ARG 37 0.042 -13.819 -6.661 250 HD2 ARG 37 2HD ARG 37 -1.392 -12.693 -8.367 251 HD3 ARG 37 1HD ARG 37 -1.110 -14.405 -8.666 252 HE ARG 37 HE ARG 37 -3.347 -14.856 -8.096 253 HH11 ARG 37 1HH1 ARG 37 -2.615 -11.443 -7.976 254 HH12 ARG 37 2HH1 ARG 37 -4.277 -10.961 -8.010 255 HH21 ARG 37 1HH2 ARG 37 -5.528 -14.221 -8.138 256 HH22 ARG 37 2HH2 ARG 37 -5.930 -12.537 -8.099 257 H HIS 38 H HIS 38 0.764 -13.559 -4.048 258 HA HIS 38 HA HIS 38 -1.218 -12.220 -2.370 259 HB2 HIS 38 2HB HIS 38 1.570 -12.919 -1.430 260 HB3 HIS 38 1HB HIS 38 0.424 -11.907 -0.556 261 HD1 HIS 38 1HD HIS 38 -1.968 -13.268 -0.064 262 HD2 HIS 38 2HD HIS 38 1.492 -15.495 -0.635 263 HE1 HIS 38 1HE HIS 38 -2.447 -15.522 0.941 264 HE2 HIS 38 2HE HIS 38 -0.375 -16.884 0.493 265 H HIS 39 H HIS 39 -0.541 -10.005 -1.764 266 HA HIS 39 HA HIS 39 1.354 -8.851 -3.710 267 HB2 HIS 39 2HB HIS 39 -1.309 -7.657 -2.919 268 HB3 HIS 39 1HB HIS 39 -0.149 -6.959 -4.045 269 HD1 HIS 39 1HD HIS 39 0.385 -8.775 -6.147 270 HD2 HIS 39 2HD HIS 39 -3.281 -8.954 -4.201 271 HE1 HIS 39 1HE HIS 39 -1.158 -9.977 -7.728 272 HE2 HIS 39 2HE HIS 39 -3.404 -9.942 -6.587 273 H CYS 40 H CYS 40 2.511 -7.033 -3.059 274 HA CYS 40 HA CYS 40 2.671 -6.611 -0.169 275 HB2 CYS 40 2HB CYS 40 4.785 -7.015 -1.266 276 HB3 CYS 40 1HB CYS 40 4.435 -5.808 -2.498 277 HG CYS 40 HG CYS 40 4.593 -4.589 0.273 278 H ARG 41 H ARG 41 2.120 -4.686 0.781 279 HA ARG 41 HA ARG 41 0.324 -3.008 -0.643 280 HB2 ARG 41 2HB ARG 41 1.485 -2.746 2.130 281 HB3 ARG 41 1HB ARG 41 0.190 -1.739 1.495 282 HG2 ARG 41 2HG ARG 41 -1.171 -3.784 1.165 283 HG3 ARG 41 1HG ARG 41 0.111 -4.715 1.941 284 HD2 ARG 41 2HD ARG 41 -0.143 -3.234 3.941 285 HD3 ARG 41 1HD ARG 41 -1.555 -2.521 3.161 286 HE ARG 41 HE ARG 41 -1.657 -5.389 3.385 287 HH11 ARG 41 1HH1 ARG 41 -2.356 -2.355 4.942 288 HH12 ARG 41 2HH1 ARG 41 -3.581 -3.018 5.972 289 HH21 ARG 41 1HH2 ARG 41 -3.270 -6.273 4.732 290 HH22 ARG 41 2HH2 ARG 41 -4.102 -5.246 5.852 291 H ASN 42 H ASN 42 3.637 -2.957 -0.604 292 HA ASN 42 HA ASN 42 3.815 -0.041 -0.832 293 HB2 ASN 42 2HB ASN 42 5.902 -2.187 -0.443 294 HB3 ASN 42 1HB ASN 42 6.317 -0.520 -0.820 295 HD21 ASN 42 1HD2 ASN 42 6.292 -2.548 1.609 296 HD22 ASN 42 2HD2 ASN 42 5.875 -1.506 2.921 297 H CYS 43 H CYS 43 5.539 -2.694 -2.470 298 HA CYS 43 HA CYS 43 5.758 -1.141 -4.853 299 HB2 CYS 43 2HB CYS 43 6.930 -3.071 -5.777 300 HB3 CYS 43 1HB CYS 43 7.520 -2.703 -4.162 301 HG CYS 43 HG CYS 43 7.081 -5.043 -3.638 302 H GLY 44 H GLY 44 3.517 -3.507 -3.686 303 HA2 GLY 44 2HA GLY 44 1.473 -4.129 -4.557 304 HA3 GLY 44 1HA GLY 44 1.754 -3.013 -5.884 305 H TYR 45 H TYR 45 4.152 -5.397 -5.246 306 HA TYR 45 HA TYR 45 3.417 -6.757 -7.733 307 HB2 TYR 45 2HB TYR 45 5.992 -6.870 -6.155 308 HB3 TYR 45 1HB TYR 45 5.700 -7.665 -7.696 309 HD1 TYR 45 1HD TYR 45 4.387 -5.648 -9.294 310 HD2 TYR 45 2HD TYR 45 7.571 -5.211 -6.508 311 HE1 TYR 45 1HE TYR 45 5.148 -3.638 -10.489 312 HE2 TYR 45 2HE TYR 45 8.341 -3.198 -7.694 313 HH TYR 45 HH TYR 45 8.178 -2.157 -9.852 314 H VAL 46 H VAL 46 3.715 -9.089 -7.824 315 HA VAL 46 HA VAL 46 2.329 -10.303 -5.622 316 HB VAL 46 HB VAL 46 3.423 -11.581 -8.133 317 HG11 VAL 46 1HG1 VAL 46 2.061 -13.501 -7.580 318 HG12 VAL 46 2HG1 VAL 46 1.480 -12.704 -6.118 319 HG13 VAL 46 3HG1 VAL 46 3.176 -13.166 -6.255 320 HG21 VAL 46 1HG2 VAL 46 1.201 -11.467 -8.999 321 HG22 VAL 46 2HG2 VAL 46 1.617 -9.856 -8.416 322 HG23 VAL 46 3HG2 VAL 46 0.566 -10.896 -7.455 323 H LEU 47 H LEU 47 3.147 -11.441 -3.979 324 HA LEU 47 HA LEU 47 5.919 -12.418 -4.162 325 HB2 LEU 47 2HB LEU 47 4.652 -10.964 -1.832 326 HB3 LEU 47 1HB LEU 47 6.163 -11.840 -1.728 327 HG LEU 47 HG LEU 47 6.382 -9.365 -1.904 328 HD11 LEU 47 1HD1 LEU 47 8.339 -10.456 -2.398 329 HD12 LEU 47 2HD1 LEU 47 8.066 -9.511 -3.861 330 HD13 LEU 47 3HD1 LEU 47 7.672 -11.230 -3.835 331 HD21 LEU 47 1HD2 LEU 47 5.930 -9.452 -4.810 332 HD22 LEU 47 2HD2 LEU 47 5.677 -8.145 -3.651 333 HD23 LEU 47 3HD2 LEU 47 4.494 -9.445 -3.787 334 H CYS 48 H CYS 48 6.261 -14.419 -3.263 335 HA CYS 48 HA CYS 48 3.934 -15.976 -2.588 336 HB2 CYS 48 2HB CYS 48 5.311 -17.853 -2.695 337 HB3 CYS 48 1HB CYS 48 6.162 -16.746 -3.770 338 HG CYS 48 HG CYS 48 8.050 -16.583 -2.158 339 H GLY 49 H GLY 49 4.305 -17.476 -0.457 340 HA2 GLY 49 2HA GLY 49 3.920 -15.801 1.720 341 HA3 GLY 49 1HA GLY 49 4.371 -17.497 1.840 342 H ASP 50 H ASP 50 6.849 -17.647 0.922 343 HA ASP 50 HA ASP 50 8.455 -16.773 3.010 344 HB2 ASP 50 2HB ASP 50 9.137 -17.671 0.215 345 HB3 ASP 50 1HB ASP 50 10.369 -17.303 1.414 346 H CYS 51 H CYS 51 7.796 -15.199 -0.041 347 HA CYS 51 HA CYS 51 9.766 -13.134 0.495 348 HB2 CYS 51 2HB CYS 51 8.103 -13.920 -1.830 349 HB3 CYS 51 1HB CYS 51 8.535 -12.217 -1.705 350 HG CYS 51 HG CYS 51 10.734 -12.801 -2.588 351 H SER 52 H SER 52 6.727 -13.733 1.560 352 HA SER 52 HA SER 52 6.216 -10.883 2.009 353 HB2 SER 52 2HB SER 52 3.869 -11.137 1.611 354 HB3 SER 52 1HB SER 52 4.694 -11.847 0.223 355 HG SER 52 HG SER 52 3.530 -13.535 0.677 356 H ARG 53 H ARG 53 7.478 -13.038 3.581 357 HA ARG 53 HA ARG 53 5.576 -13.673 5.662 358 HB2 ARG 53 2HB ARG 53 8.517 -14.242 5.332 359 HB3 ARG 53 1HB ARG 53 7.654 -14.618 6.817 360 HG2 ARG 53 2HG ARG 53 6.089 -16.005 5.415 361 HG3 ARG 53 1HG ARG 53 7.217 -15.766 4.081 362 HD2 ARG 53 2HD ARG 53 9.013 -16.735 5.465 363 HD3 ARG 53 1HD ARG 53 7.831 -17.051 6.733 364 HE ARG 53 HE ARG 53 7.035 -18.210 4.261 365 HH11 ARG 53 1HH1 ARG 53 9.202 -18.632 6.955 366 HH12 ARG 53 2HH1 ARG 53 9.273 -20.355 6.795 367 HH21 ARG 53 1HH2 ARG 53 7.117 -20.479 4.046 368 HH22 ARG 53 2HH2 ARG 53 8.085 -21.406 5.144 369 H HIS 54 H HIS 54 7.738 -11.091 4.963 370 HA HIS 54 HA HIS 54 8.171 -10.338 7.700 371 HB2 HIS 54 2HB HIS 54 8.682 -8.922 5.087 372 HB3 HIS 54 1HB HIS 54 9.040 -8.199 6.645 373 HD1 HIS 54 1HD HIS 54 10.654 -9.932 8.183 374 HD2 HIS 54 2HD HIS 54 10.843 -10.145 4.038 375 HE1 HIS 54 1HE HIS 54 12.849 -11.044 7.667 376 HE2 HIS 54 2HE HIS 54 12.946 -11.158 5.153 377 H ARG 55 H ARG 55 7.566 -8.143 8.461 378 HA ARG 55 HA ARG 55 5.029 -7.166 7.396 379 HB2 ARG 55 2HB ARG 55 5.444 -7.919 10.297 380 HB3 ARG 55 1HB ARG 55 4.036 -7.081 9.656 381 HG2 ARG 55 2HG ARG 55 3.549 -9.027 8.234 382 HG3 ARG 55 1HG ARG 55 4.917 -9.872 8.960 383 HD2 ARG 55 2HD ARG 55 2.457 -8.871 10.391 384 HD3 ARG 55 1HD ARG 55 2.842 -10.552 10.023 385 HE ARG 55 HE ARG 55 4.022 -8.896 12.102 386 HH11 ARG 55 1HH1 ARG 55 4.118 -11.884 10.304 387 HH12 ARG 55 2HH1 ARG 55 5.069 -12.714 11.489 388 HH21 ARG 55 1HH2 ARG 55 5.276 -9.983 13.662 389 HH22 ARG 55 2HH2 ARG 55 5.727 -11.634 13.397 390 H ALA 56 H ALA 56 4.823 -5.007 7.504 391 HA ALA 56 HA ALA 56 6.361 -3.414 9.371 392 HB1 ALA 56 1HB ALA 56 7.052 -3.416 6.445 393 HB2 ALA 56 2HB ALA 56 8.116 -3.730 7.817 394 HB3 ALA 56 3HB ALA 56 7.489 -2.104 7.540 395 H ALA 57 H ALA 57 5.807 -1.160 9.367 396 HA ALA 57 HA ALA 57 3.136 -0.684 8.291 397 HB1 ALA 57 1HB ALA 57 3.262 1.381 9.727 398 HB2 ALA 57 2HB ALA 57 4.818 0.793 10.314 399 HB3 ALA 57 3HB ALA 57 3.353 -0.145 10.606 400 H ILE 58 H ILE 58 2.675 1.192 7.012 401 HA ILE 58 HA ILE 58 5.041 2.404 5.755 402 HB ILE 58 HB ILE 58 2.528 1.932 4.203 403 HG12 ILE 58 2HG1 ILE 58 4.765 -0.088 4.483 404 HG13 ILE 58 1HG1 ILE 58 3.191 -0.238 5.255 405 HG21 ILE 58 1HG2 ILE 58 5.443 2.039 3.434 406 HG22 ILE 58 2HG2 ILE 58 4.298 3.372 3.303 407 HG23 ILE 58 3HG2 ILE 58 4.077 1.921 2.327 408 HD11 ILE 58 1HD1 ILE 58 2.226 -0.978 3.387 409 HD12 ILE 58 2HD1 ILE 58 3.873 -1.282 2.840 410 HD13 ILE 58 3HD1 ILE 58 3.050 0.206 2.375 411 HA PRO 59 HA PRO 59 2.332 5.717 7.500 412 HB2 PRO 59 2HB PRO 59 4.414 7.379 8.089 413 HB3 PRO 59 1HB PRO 59 3.816 6.128 9.182 414 HG2 PRO 59 2HG PRO 59 6.154 6.042 7.311 415 HG3 PRO 59 1HG PRO 59 6.040 5.470 8.987 416 HD2 PRO 59 2HD PRO 59 5.874 3.779 6.903 417 HD3 PRO 59 1HD PRO 59 4.922 3.533 8.382 418 H MET 60 H MET 60 4.414 5.508 4.777 419 HA MET 60 HA MET 60 3.860 8.248 3.934 420 HB2 MET 60 2HB MET 60 5.366 5.991 2.586 421 HB3 MET 60 1HB MET 60 5.203 7.620 1.944 422 HG2 MET 60 2HG MET 60 6.359 8.480 3.954 423 HG3 MET 60 1HG MET 60 6.609 6.817 4.478 424 HE1 MET 60 1HE MET 60 9.085 7.210 4.739 425 HE2 MET 60 2HE MET 60 9.140 8.854 4.103 426 HE3 MET 60 3HE MET 60 10.218 7.621 3.451 427 H ARG 61 H ARG 61 3.033 4.939 3.262 428 HA ARG 61 HA ARG 61 1.247 5.617 1.071 429 HB2 ARG 61 2HB ARG 61 1.644 2.945 2.416 430 HB3 ARG 61 1HB ARG 61 0.918 3.247 0.843 431 HG2 ARG 61 2HG ARG 61 3.791 3.794 1.559 432 HG3 ARG 61 1HG ARG 61 3.210 2.382 0.677 433 HD2 ARG 61 2HD ARG 61 2.544 5.111 -0.323 434 HD3 ARG 61 1HD ARG 61 4.164 4.468 -0.587 435 HE ARG 61 HE ARG 61 3.272 2.833 -1.996 436 HH11 ARG 61 1HH1 ARG 61 0.768 4.862 -0.657 437 HH12 ARG 61 2HH1 ARG 61 -0.424 4.357 -1.806 438 HH21 ARG 61 1HH2 ARG 61 1.710 2.167 -3.499 439 HH22 ARG 61 2HH2 ARG 61 0.110 2.825 -3.420 440 H GLY 62 H GLY 62 0.909 6.345 4.046 441 HA2 GLY 62 2HA GLY 62 -0.996 6.923 5.237 442 HA3 GLY 62 1HA GLY 62 -1.958 6.050 4.056 443 H ILE 63 H ILE 63 0.581 4.140 5.239 444 HA ILE 63 HA ILE 63 -1.314 2.691 6.939 445 HB ILE 63 HB ILE 63 1.329 1.818 5.754 446 HG12 ILE 63 2HG1 ILE 63 -1.475 1.014 4.965 447 HG13 ILE 63 1HG1 ILE 63 -0.524 2.230 4.120 448 HG21 ILE 63 1HG2 ILE 63 0.538 -0.470 6.378 449 HG22 ILE 63 2HG2 ILE 63 -0.736 0.300 7.328 450 HG23 ILE 63 3HG2 ILE 63 0.959 0.569 7.740 451 HD11 ILE 63 1HD1 ILE 63 0.659 -0.464 4.500 452 HD12 ILE 63 2HD1 ILE 63 0.864 0.690 3.182 453 HD13 ILE 63 3HD1 ILE 63 -0.616 -0.261 3.300 454 H THR 64 H THR 64 -1.186 3.520 8.968 455 HA THR 64 HA THR 64 1.392 4.263 10.089 456 HB THR 64 HB THR 64 0.059 5.012 12.046 457 HG1 THR 64 1HG THR 64 -1.908 4.367 12.252 458 HG21 THR 64 1HG2 THR 64 0.407 6.407 9.894 459 HG22 THR 64 2HG2 THR 64 -0.766 6.937 11.099 460 HG23 THR 64 3HG2 THR 64 -1.313 6.114 9.640 461 H GLU 65 H GLU 65 -0.692 1.554 10.093 462 HA GLU 65 HA GLU 65 0.633 0.440 12.469 463 HB2 GLU 65 2HB GLU 65 -1.616 -0.925 11.030 464 HB3 GLU 65 1HB GLU 65 -1.165 -1.021 12.727 465 HG2 GLU 65 2HG GLU 65 -1.831 1.594 12.520 466 HG3 GLU 65 1HG GLU 65 -2.924 0.870 11.341 467 HA PRO 66 HA PRO 66 3.238 -2.030 9.960 468 HB2 PRO 66 2HB PRO 66 3.274 -4.378 11.442 469 HB3 PRO 66 1HB PRO 66 4.290 -2.970 11.761 470 HG2 PRO 66 2HG PRO 66 1.739 -3.806 13.069 471 HG3 PRO 66 1HG PRO 66 3.183 -3.072 13.789 472 HD2 PRO 66 2HD PRO 66 0.951 -1.645 13.300 473 HD3 PRO 66 1HD PRO 66 2.571 -0.934 13.145 474 H GLU 67 H GLU 67 2.702 -2.907 8.114 475 HA GLU 67 HA GLU 67 0.556 -4.915 8.028 476 HB2 GLU 67 2HB GLU 67 1.176 -2.784 5.973 477 HB3 GLU 67 1HB GLU 67 -0.052 -4.024 5.802 478 HG2 GLU 67 2HG GLU 67 -0.016 -1.867 7.896 479 HG3 GLU 67 1HG GLU 67 -1.013 -1.883 6.443 480 H ARG 68 H ARG 68 0.687 -6.286 6.012 481 HA ARG 68 HA ARG 68 3.269 -7.465 5.878 482 HB2 ARG 68 2HB ARG 68 2.258 -9.049 4.335 483 HB3 ARG 68 1HB ARG 68 1.231 -8.787 5.737 484 HG2 ARG 68 2HG ARG 68 -0.078 -7.158 4.333 485 HG3 ARG 68 1HG ARG 68 0.848 -7.737 2.946 486 HD2 ARG 68 2HD ARG 68 0.075 -10.036 3.451 487 HD3 ARG 68 1HD ARG 68 -0.927 -9.383 4.745 488 HE ARG 68 HE ARG 68 -1.485 -8.099 2.275 489 HH11 ARG 68 1HH1 ARG 68 -2.024 -11.047 4.047 490 HH12 ARG 68 2HH1 ARG 68 -3.512 -11.415 3.241 491 HH21 ARG 68 1HH2 ARG 68 -3.446 -8.573 1.205 492 HH22 ARG 68 2HH2 ARG 68 -4.320 -10.007 1.626 493 H VAL 69 H VAL 69 4.792 -7.417 4.404 494 HA VAL 69 HA VAL 69 4.434 -6.059 1.837 495 HB VAL 69 HB VAL 69 6.506 -4.759 2.126 496 HG11 VAL 69 1HG1 VAL 69 4.178 -4.251 3.942 497 HG12 VAL 69 2HG1 VAL 69 4.584 -3.479 2.407 498 HG13 VAL 69 3HG1 VAL 69 5.532 -3.124 3.853 499 HG21 VAL 69 1HG2 VAL 69 7.144 -4.399 4.630 500 HG22 VAL 69 2HG2 VAL 69 7.783 -5.792 3.754 501 HG23 VAL 69 3HG2 VAL 69 6.414 -5.990 4.850 502 H CYS 70 H CYS 70 6.799 -6.156 0.755 503 HA CYS 70 HA CYS 70 7.573 -8.972 0.916 504 HB2 CYS 70 2HB CYS 70 8.224 -8.871 -1.287 505 HB3 CYS 70 1HB CYS 70 6.958 -7.654 -1.288 506 HG CYS 70 HG CYS 70 9.746 -6.507 -0.862 507 H ASP 71 H ASP 71 10.159 -8.793 -0.102 508 HA ASP 71 HA ASP 71 11.529 -7.962 2.298 509 HB2 ASP 71 2HB ASP 71 12.108 -10.052 1.039 510 HB3 ASP 71 1HB ASP 71 12.750 -9.041 -0.252 511 H ALA 72 H ALA 72 11.604 -6.874 -1.095 512 HA ALA 72 HA ALA 72 13.621 -4.939 -0.683 513 HB1 ALA 72 1HB ALA 72 13.419 -5.274 -2.906 514 HB2 ALA 72 2HB ALA 72 12.309 -3.910 -2.784 515 HB3 ALA 72 3HB ALA 72 11.682 -5.557 -2.818 516 H CYS 73 H CYS 73 10.082 -4.652 -0.669 517 HA CYS 73 HA CYS 73 9.994 -1.875 -0.218 518 HB2 CYS 73 2HB CYS 73 7.935 -3.920 0.639 519 HB3 CYS 73 1HB CYS 73 7.669 -2.203 0.346 520 HG CYS 73 HG CYS 73 8.652 -3.512 -2.166 521 H TYR 74 H TYR 74 10.050 -4.647 1.976 522 HA TYR 74 HA TYR 74 9.630 -3.278 4.376 523 HB2 TYR 74 2HB TYR 74 9.681 -5.744 4.207 524 HB3 TYR 74 1HB TYR 74 11.411 -5.682 3.887 525 HD1 TYR 74 2HD TYR 74 8.811 -5.177 6.449 526 HD2 TYR 74 1HD TYR 74 12.987 -5.365 5.660 527 HE1 TYR 74 2HE TYR 74 9.258 -5.286 8.865 528 HE2 TYR 74 1HE TYR 74 13.444 -5.475 8.075 529 HH TYR 74 HH TYR 74 11.263 -4.671 10.396 530 H LEU 75 H LEU 75 12.525 -3.810 2.464 531 HA LEU 75 HA LEU 75 14.341 -2.587 4.289 532 HB2 LEU 75 2HB LEU 75 14.432 -3.487 1.444 533 HB3 LEU 75 1HB LEU 75 15.714 -2.462 2.048 534 HG LEU 75 HG LEU 75 14.949 -5.028 3.423 535 HD11 LEU 75 1HD1 LEU 75 17.038 -4.672 1.279 536 HD12 LEU 75 2HD1 LEU 75 15.511 -5.533 1.088 537 HD13 LEU 75 3HD1 LEU 75 16.731 -6.138 2.208 538 HD21 LEU 75 1HD2 LEU 75 16.833 -4.757 4.668 539 HD22 LEU 75 2HD2 LEU 75 16.460 -3.061 4.361 540 HD23 LEU 75 3HD2 LEU 75 17.686 -3.882 3.396 541 H ALA 76 H ALA 76 12.935 -1.448 1.211 542 HA ALA 76 HA ALA 76 14.110 1.027 1.099 543 HB1 ALA 76 1HB ALA 76 11.917 -0.256 -0.175 544 HB2 ALA 76 2HB ALA 76 12.847 1.136 -0.732 545 HB3 ALA 76 3HB ALA 76 11.414 1.375 0.269 546 H LEU 77 H LEU 77 11.084 0.185 2.768 547 HA LEU 77 HA LEU 77 10.677 2.786 3.835 548 HB2 LEU 77 2HB LEU 77 9.712 0.083 4.790 549 HB3 LEU 77 1HB LEU 77 9.171 1.610 5.456 550 HG LEU 77 HG LEU 77 8.831 0.916 2.544 551 HD11 LEU 77 1HD1 LEU 77 7.639 -0.791 3.653 552 HD12 LEU 77 2HD1 LEU 77 6.445 0.428 3.210 553 HD13 LEU 77 3HD1 LEU 77 7.025 0.326 4.874 554 HD21 LEU 77 1HD2 LEU 77 8.674 3.286 3.121 555 HD22 LEU 77 2HD2 LEU 77 7.457 2.914 4.341 556 HD23 LEU 77 3HD2 LEU 77 7.104 2.646 2.634 557 H ARG 78 H ARG 78 12.222 -0.147 4.952 558 HA ARG 78 HA ARG 78 12.933 0.525 7.538 559 HB2 ARG 78 2HB ARG 78 13.155 -1.715 6.545 560 HB3 ARG 78 1HB ARG 78 14.466 -1.138 5.530 561 HG2 ARG 78 2HG ARG 78 15.741 -0.627 7.616 562 HG3 ARG 78 1HG ARG 78 14.454 -1.432 8.512 563 HD2 ARG 78 2HD ARG 78 14.842 -3.474 7.184 564 HD3 ARG 78 1HD ARG 78 16.187 -2.666 6.381 565 HE ARG 78 HE ARG 78 16.168 -3.794 9.027 566 HH11 ARG 78 1HH1 ARG 78 17.674 -1.486 6.900 567 HH12 ARG 78 2HH1 ARG 78 19.174 -1.468 7.768 568 HH21 ARG 78 1HH2 ARG 78 18.139 -3.783 10.177 569 HH22 ARG 78 2HH2 ARG 78 19.438 -2.775 9.633 570 H SER 79 H SER 79 14.184 1.752 4.550 571 HA SER 79 HA SER 79 16.784 2.460 5.326 572 HB2 SER 79 2HB SER 79 14.938 3.917 3.418 573 HB3 SER 79 1HB SER 79 16.692 4.083 3.496 574 HG SER 79 HG SER 79 15.254 1.721 2.850 575 H SER 80 H SER 80 13.679 4.031 5.820 576 HA SER 80 HA SER 80 14.569 6.531 6.691 577 HB2 SER 80 2HB SER 80 12.107 5.024 7.603 578 HB3 SER 80 1HB SER 80 12.371 6.763 7.744 579 HG SER 80 HG SER 80 12.777 6.081 5.216 580 H ASN 81 H ASN 81 14.281 3.473 8.387 581 HA ASN 81 HA ASN 81 14.782 4.619 10.980 582 HB2 ASN 81 2HB ASN 81 14.869 1.724 10.102 583 HB3 ASN 81 1HB ASN 81 14.830 2.303 11.765 584 HD21 ASN 81 1HD2 ASN 81 12.953 4.291 11.596 585 HD22 ASN 81 2HD2 ASN 81 11.414 3.604 11.216 586 H MET 82 H MET 82 16.667 4.663 12.115 587 HA MET 82 HA MET 82 19.107 4.328 10.571 588 HB2 MET 82 2HB MET 82 18.612 5.473 13.323 589 HB3 MET 82 1HB MET 82 20.183 5.421 12.535 590 HG2 MET 82 2HG MET 82 19.241 6.795 10.696 591 HG3 MET 82 1HG MET 82 17.751 6.939 11.627 592 HE1 MET 82 1HE MET 82 21.509 8.458 11.306 593 HE2 MET 82 2HE MET 82 21.494 6.946 12.212 594 HE3 MET 82 3HE MET 82 21.839 8.465 13.038 595 H ALA 83 H ALA 83 20.593 2.776 10.869 596 HA ALA 83 HA ALA 83 20.191 0.908 13.114 597 HB1 ALA 83 1HB ALA 83 19.583 -0.356 11.265 598 HB2 ALA 83 2HB ALA 83 21.279 -0.780 11.491 599 HB3 ALA 83 3HB ALA 83 20.818 0.370 10.237 600 H GLY 84 H GLY 84 22.605 2.132 10.798 601 HA2 GLY 84 2HA GLY 84 24.713 3.003 11.388 602 HA3 GLY 84 1HA GLY 84 24.557 2.254 12.970 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -2.586 28.430 -13.204 2 H2 GLY 1 2HT GLY 1 -1.602 28.185 -14.558 3 H3 GLY 1 3HT GLY 1 -1.061 29.159 -13.284 4 HA2 GLY 1 1HA GLY 1 0.071 27.232 -12.846 5 HA3 GLY 1 2HA GLY 1 -1.367 27.049 -11.854 6 HA PRO 2 HA PRO 2 -0.588 23.464 -14.997 7 HB2 PRO 2 2HB PRO 2 -0.357 21.992 -12.421 8 HB3 PRO 2 1HB PRO 2 0.563 21.793 -13.917 9 HG2 PRO 2 2HG PRO 2 1.663 22.981 -11.809 10 HG3 PRO 2 1HG PRO 2 1.964 23.586 -13.449 11 HD2 PRO 2 2HD PRO 2 0.151 24.670 -11.330 12 HD3 PRO 2 1HD PRO 2 1.179 25.540 -12.487 13 H LEU 3 H LEU 3 -2.225 22.083 -15.564 14 HA LEU 3 HA LEU 3 -4.747 22.439 -14.194 15 HB2 LEU 3 2HB LEU 3 -4.084 20.805 -16.643 16 HB3 LEU 3 1HB LEU 3 -5.697 21.180 -16.067 17 HG LEU 3 HG LEU 3 -3.679 23.112 -17.201 18 HD11 LEU 3 1HD1 LEU 3 -5.926 21.619 -18.266 19 HD12 LEU 3 2HD1 LEU 3 -4.658 22.510 -19.108 20 HD13 LEU 3 3HD1 LEU 3 -6.091 23.355 -18.521 21 HD21 LEU 3 1HD2 LEU 3 -5.957 23.549 -15.427 22 HD22 LEU 3 2HD2 LEU 3 -6.025 24.491 -16.917 23 HD23 LEU 3 3HD2 LEU 3 -4.625 24.625 -15.851 24 H GLY 4 H GLY 4 -5.930 20.890 -13.138 25 HA2 GLY 4 2HA GLY 4 -4.598 18.882 -11.739 26 HA3 GLY 4 1HA GLY 4 -6.342 18.975 -11.941 27 H SER 5 H SER 5 -6.259 18.759 -14.828 28 HA SER 5 HA SER 5 -6.447 15.977 -15.100 29 HB2 SER 5 2HB SER 5 -6.771 16.382 -17.460 30 HB3 SER 5 1HB SER 5 -7.584 17.662 -16.560 31 HG SER 5 HG SER 5 -5.100 17.794 -17.918 32 H MET 6 H MET 6 -3.763 18.155 -15.486 33 HA MET 6 HA MET 6 -2.126 16.077 -16.731 34 HB2 MET 6 2HB MET 6 -1.515 18.969 -16.094 35 HB3 MET 6 1HB MET 6 -0.414 17.863 -16.907 36 HG2 MET 6 2HG MET 6 -3.095 18.776 -17.924 37 HG3 MET 6 1HG MET 6 -1.517 19.307 -18.501 38 HE1 MET 6 1HE MET 6 0.242 17.783 -19.179 39 HE2 MET 6 2HE MET 6 -0.054 16.628 -20.479 40 HE3 MET 6 3HE MET 6 0.050 16.068 -18.810 41 H GLY 7 H GLY 7 -0.453 15.062 -15.735 42 HA2 GLY 7 2HA GLY 7 1.169 14.715 -14.064 43 HA3 GLY 7 1HA GLY 7 0.382 15.938 -13.078 44 H GLU 8 H GLU 8 -1.997 13.955 -14.257 45 HA GLU 8 HA GLU 8 -2.217 12.620 -11.689 46 HB2 GLU 8 2HB GLU 8 -4.175 13.745 -12.760 47 HB3 GLU 8 1HB GLU 8 -4.134 12.525 -14.025 48 HG2 GLU 8 2HG GLU 8 -4.510 10.786 -12.323 49 HG3 GLU 8 1HG GLU 8 -4.617 12.040 -11.092 50 H LYS 9 H LYS 9 -0.344 11.862 -14.093 51 HA LYS 9 HA LYS 9 -1.107 9.297 -14.948 52 HB2 LYS 9 2HB LYS 9 1.656 10.467 -14.540 53 HB3 LYS 9 1HB LYS 9 1.347 8.929 -15.331 54 HG2 LYS 9 2HG LYS 9 -0.003 10.117 -17.027 55 HG3 LYS 9 1HG LYS 9 0.439 11.645 -16.261 56 HD2 LYS 9 2HD LYS 9 2.831 11.075 -16.651 57 HD3 LYS 9 1HD LYS 9 2.303 9.647 -17.542 58 HE2 LYS 9 2HE LYS 9 0.849 11.616 -18.741 59 HE3 LYS 9 1HE LYS 9 2.339 12.469 -18.341 60 HZ1 LYS 9 1HZ LYS 9 1.924 10.208 -20.162 61 HZ2 LYS 9 2HZ LYS 9 3.416 10.345 -19.377 62 HZ3 LYS 9 3HZ LYS 9 2.864 11.598 -20.369 63 H GLN 10 H GLN 10 -0.141 10.508 -11.943 64 HA GLN 10 HA GLN 10 1.076 8.302 -10.724 65 HB2 GLN 10 2HB GLN 10 1.109 10.516 -9.737 66 HB3 GLN 10 1HB GLN 10 -0.642 10.511 -9.579 67 HG2 GLN 10 2HG GLN 10 -0.498 8.696 -7.965 68 HG3 GLN 10 1HG GLN 10 1.256 8.666 -8.143 69 HE21 GLN 10 1HE2 GLN 10 0.466 8.961 -5.677 70 HE22 GLN 10 2HE2 GLN 10 0.608 10.591 -5.124 71 H SER 11 H SER 11 0.267 6.598 -9.523 72 HA SER 11 HA SER 11 -2.626 6.259 -9.343 73 HB2 SER 11 2HB SER 11 -2.635 4.089 -10.381 74 HB3 SER 11 1HB SER 11 -1.861 5.211 -11.499 75 HG SER 11 HG SER 11 0.167 4.425 -10.426 76 H LYS 12 H LYS 12 -3.236 4.433 -7.947 77 HA LYS 12 HA LYS 12 -1.520 4.334 -5.632 78 HB2 LYS 12 2HB LYS 12 -4.211 3.074 -6.184 79 HB3 LYS 12 1HB LYS 12 -3.381 3.008 -4.636 80 HG2 LYS 12 2HG LYS 12 -3.441 5.493 -4.565 81 HG3 LYS 12 1HG LYS 12 -4.422 5.461 -6.033 82 HD2 LYS 12 2HD LYS 12 -6.096 4.087 -4.843 83 HD3 LYS 12 1HD LYS 12 -5.131 4.224 -3.373 84 HE2 LYS 12 2HE LYS 12 -5.726 6.787 -4.652 85 HE3 LYS 12 1HE LYS 12 -7.157 5.911 -4.108 86 HZ1 LYS 12 1HZ LYS 12 -5.760 5.639 -1.948 87 HZ2 LYS 12 2HZ LYS 12 -6.594 7.081 -2.239 88 HZ3 LYS 12 3HZ LYS 12 -4.930 6.994 -2.528 89 H GLY 13 H GLY 13 -1.159 2.208 -4.510 90 HA2 GLY 13 2HA GLY 13 0.610 0.588 -5.605 91 HA3 GLY 13 1HA GLY 13 -0.610 -0.066 -4.527 92 H TYR 14 H TYR 14 0.716 -0.183 -7.610 93 HA TYR 14 HA TYR 14 -1.616 -1.177 -8.977 94 HB2 TYR 14 2HB TYR 14 0.135 0.047 -10.185 95 HB3 TYR 14 1HB TYR 14 1.291 -1.225 -9.802 96 HD1 TYR 14 2HD TYR 14 -1.671 -0.356 -11.803 97 HD2 TYR 14 1HD TYR 14 1.290 -3.305 -11.010 98 HE1 TYR 14 2HE TYR 14 -2.315 -1.546 -13.857 99 HE2 TYR 14 1HE TYR 14 0.656 -4.503 -13.061 100 HH TYR 14 HH TYR 14 -0.449 -4.178 -15.119 101 H TRP 15 H TRP 15 -2.351 -3.169 -8.856 102 HA TRP 15 HA TRP 15 -0.732 -5.273 -7.643 103 HB2 TRP 15 2HB TRP 15 -2.818 -6.558 -7.585 104 HB3 TRP 15 1HB TRP 15 -3.039 -4.967 -6.866 105 HD1 TRP 15 HD TRP 15 -4.314 -3.108 -8.504 106 HE1 TRP 15 1HE TRP 15 -6.208 -3.491 -10.203 107 HE3 TRP 15 3HE TRP 15 -3.802 -8.151 -9.164 108 HZ2 TRP 15 2HZ TRP 15 -7.339 -5.650 -11.633 109 HZ3 TRP 15 3HZ TRP 15 -5.332 -9.301 -10.712 110 HH2 TRP 15 HH TRP 15 -7.063 -8.075 -11.920 111 H GLN 16 H GLN 16 0.427 -6.627 -8.848 112 HA GLN 16 HA GLN 16 -0.040 -6.833 -11.710 113 HB2 GLN 16 2HB GLN 16 2.265 -6.642 -10.810 114 HB3 GLN 16 1HB GLN 16 2.047 -8.171 -9.968 115 HG2 GLN 16 2HG GLN 16 1.724 -9.282 -12.146 116 HG3 GLN 16 1HG GLN 16 2.054 -7.746 -12.947 117 HE21 GLN 16 1HE2 GLN 16 4.061 -7.456 -13.585 118 HE22 GLN 16 2HE2 GLN 16 5.464 -8.215 -12.920 119 H GLU 17 H GLU 17 -1.062 -8.361 -12.706 120 HA GLU 17 HA GLU 17 -2.703 -10.168 -11.395 121 HB2 GLU 17 2HB GLU 17 -1.789 -10.146 -14.267 122 HB3 GLU 17 1HB GLU 17 -3.102 -11.139 -13.648 123 HG2 GLU 17 2HG GLU 17 -4.266 -9.363 -14.480 124 HG3 GLU 17 1HG GLU 17 -4.042 -8.850 -12.809 125 H ASP 18 H ASP 18 -2.789 -12.424 -11.390 126 HA ASP 18 HA ASP 18 -0.545 -13.822 -10.499 127 HB2 ASP 18 2HB ASP 18 -3.025 -14.396 -10.277 128 HB3 ASP 18 1HB ASP 18 -2.894 -15.091 -11.885 129 H GLU 19 H GLU 19 -2.079 -13.827 -13.693 130 HA GLU 19 HA GLU 19 -0.349 -15.699 -14.873 131 HB2 GLU 19 2HB GLU 19 -2.091 -13.551 -16.068 132 HB3 GLU 19 1HB GLU 19 -1.202 -14.714 -17.040 133 HG2 GLU 19 2HG GLU 19 -3.292 -15.389 -14.982 134 HG3 GLU 19 1HG GLU 19 -3.536 -15.362 -16.728 135 H ASP 20 H ASP 20 -0.226 -12.161 -14.785 136 HA ASP 20 HA ASP 20 2.033 -11.968 -16.502 137 HB2 ASP 20 2HB ASP 20 0.909 -10.007 -14.485 138 HB3 ASP 20 1HB ASP 20 2.180 -9.628 -15.644 139 H ALA 21 H ALA 21 1.542 -12.427 -13.111 140 HA ALA 21 HA ALA 21 4.452 -12.357 -12.641 141 HB1 ALA 21 1HB ALA 21 2.621 -12.422 -10.325 142 HB2 ALA 21 2HB ALA 21 2.601 -10.950 -11.298 143 HB3 ALA 21 3HB ALA 21 4.109 -11.506 -10.573 144 HA PRO 22 HA PRO 22 3.111 -16.829 -12.392 145 HB2 PRO 22 2HB PRO 22 5.078 -17.796 -13.972 146 HB3 PRO 22 1HB PRO 22 3.566 -17.158 -14.626 147 HG2 PRO 22 2HG PRO 22 6.232 -15.813 -14.380 148 HG3 PRO 22 1HG PRO 22 5.117 -15.833 -15.758 149 HD2 PRO 22 2HD PRO 22 5.260 -13.745 -14.045 150 HD3 PRO 22 1HD PRO 22 3.743 -14.226 -14.832 151 H ALA 23 H ALA 23 5.911 -14.989 -11.757 152 HA ALA 23 HA ALA 23 6.809 -16.991 -9.809 153 HB1 ALA 23 1HB ALA 23 8.654 -17.392 -10.990 154 HB2 ALA 23 2HB ALA 23 9.145 -15.732 -10.650 155 HB3 ALA 23 3HB ALA 23 8.275 -16.105 -12.137 156 H CYS 24 H CYS 24 8.048 -16.074 -8.030 157 HA CYS 24 HA CYS 24 6.922 -13.704 -7.054 158 HB2 CYS 24 2HB CYS 24 7.952 -15.650 -5.760 159 HB3 CYS 24 1HB CYS 24 9.509 -14.887 -6.070 160 HG CYS 24 HG CYS 24 7.641 -12.928 -4.775 161 H ASN 25 H ASN 25 7.384 -11.668 -7.391 162 HA ASN 25 HA ASN 25 9.338 -10.772 -9.183 163 HB2 ASN 25 2HB ASN 25 7.691 -9.348 -7.096 164 HB3 ASN 25 1HB ASN 25 8.796 -8.494 -8.169 165 HD21 ASN 25 1HD2 ASN 25 5.735 -9.934 -7.824 166 HD22 ASN 25 2HD2 ASN 25 5.169 -9.672 -9.435 167 H GLY 26 H GLY 26 9.487 -11.399 -5.762 168 HA2 GLY 26 2HA GLY 26 11.899 -9.835 -5.411 169 HA3 GLY 26 1HA GLY 26 11.077 -10.775 -4.183 170 H CYS 27 H CYS 27 11.138 -13.314 -4.978 171 HA CYS 27 HA CYS 27 14.020 -13.825 -5.181 172 HB2 CYS 27 2HB CYS 27 13.616 -15.918 -4.052 173 HB3 CYS 27 1HB CYS 27 12.842 -14.621 -3.148 174 HG CYS 27 HG CYS 27 10.557 -15.469 -4.325 175 H GLY 28 H GLY 28 11.392 -13.905 -7.213 176 HA2 GLY 28 2HA GLY 28 11.195 -14.769 -9.324 177 HA3 GLY 28 1HA GLY 28 12.832 -15.378 -9.163 178 H CYS 29 H CYS 29 10.847 -16.482 -6.645 179 HA CYS 29 HA CYS 29 10.985 -19.164 -7.620 180 HB2 CYS 29 2HB CYS 29 10.028 -19.834 -5.572 181 HB3 CYS 29 1HB CYS 29 11.017 -18.433 -5.173 182 HG CYS 29 HG CYS 29 8.240 -18.647 -4.410 183 H VAL 30 H VAL 30 9.361 -20.495 -8.363 184 HA VAL 30 HA VAL 30 7.231 -19.130 -9.742 185 HB VAL 30 HB VAL 30 7.275 -22.085 -9.681 186 HG11 VAL 30 1HG1 VAL 30 5.873 -21.643 -11.344 187 HG12 VAL 30 2HG1 VAL 30 7.276 -21.137 -12.287 188 HG13 VAL 30 3HG1 VAL 30 6.348 -19.943 -11.380 189 HG21 VAL 30 1HG2 VAL 30 9.578 -20.427 -10.500 190 HG22 VAL 30 2HG2 VAL 30 9.094 -21.709 -11.614 191 HG23 VAL 30 3HG2 VAL 30 9.522 -22.102 -9.949 192 H PHE 31 H PHE 31 5.098 -19.200 -9.370 193 HA PHE 31 HA PHE 31 4.221 -20.088 -6.758 194 HB2 PHE 31 2HB PHE 31 2.746 -18.676 -8.992 195 HB3 PHE 31 1HB PHE 31 2.061 -19.031 -7.409 196 HD1 PHE 31 1HD PHE 31 3.111 -17.988 -5.378 197 HD2 PHE 31 2HD PHE 31 4.070 -16.782 -9.344 198 HE1 PHE 31 1HE PHE 31 4.023 -15.873 -4.512 199 HE2 PHE 31 2HE PHE 31 4.982 -14.666 -8.484 200 HZ PHE 31 HZ PHE 31 4.962 -14.210 -6.065 201 H THR 32 H THR 32 2.968 -21.765 -6.319 202 HA THR 32 HA THR 32 1.921 -23.375 -8.551 203 HB THR 32 HB THR 32 2.588 -25.410 -7.482 204 HG1 THR 32 1HG THR 32 3.113 -25.528 -5.445 205 HG21 THR 32 1HG2 THR 32 4.460 -23.618 -8.426 206 HG22 THR 32 2HG2 THR 32 4.705 -25.339 -8.128 207 HG23 THR 32 3HG2 THR 32 5.125 -24.160 -6.885 208 H THR 33 H THR 33 0.270 -24.994 -7.767 209 HA THR 33 HA THR 33 -1.960 -23.777 -6.745 210 HB THR 33 HB THR 33 -1.241 -26.689 -6.372 211 HG1 THR 33 1HG THR 33 -1.146 -26.541 -8.481 212 HG21 THR 33 1HG2 THR 33 -3.920 -26.439 -7.047 213 HG22 THR 33 2HG2 THR 33 -3.642 -25.203 -5.819 214 HG23 THR 33 3HG2 THR 33 -3.253 -26.890 -5.478 215 H THR 34 H THR 34 0.497 -25.566 -4.887 216 HA THR 34 HA THR 34 -0.864 -25.308 -2.428 217 HB THR 34 HB THR 34 2.106 -25.677 -2.885 218 HG1 THR 34 1HG THR 34 -0.020 -27.337 -3.243 219 HG21 THR 34 1HG2 THR 34 2.403 -26.108 -0.720 220 HG22 THR 34 2HG2 THR 34 0.864 -26.960 -0.578 221 HG23 THR 34 3HG2 THR 34 0.910 -25.198 -0.493 222 H VAL 35 H VAL 35 1.490 -23.230 -4.068 223 HA VAL 35 HA VAL 35 1.586 -21.442 -1.777 224 HB VAL 35 HB VAL 35 2.858 -21.221 -4.500 225 HG11 VAL 35 1HG1 VAL 35 4.171 -19.375 -3.454 226 HG12 VAL 35 2HG1 VAL 35 3.060 -19.436 -2.084 227 HG13 VAL 35 3HG1 VAL 35 2.461 -19.010 -3.687 228 HG21 VAL 35 1HG2 VAL 35 4.807 -21.333 -2.517 229 HG22 VAL 35 2HG2 VAL 35 4.374 -22.613 -3.651 230 HG23 VAL 35 3HG2 VAL 35 3.621 -22.556 -2.056 231 H ARG 36 H ARG 36 0.031 -20.104 -1.450 232 HA ARG 36 HA ARG 36 -1.821 -19.244 -3.460 233 HB2 ARG 36 2HB ARG 36 -1.398 -18.360 -0.600 234 HB3 ARG 36 1HB ARG 36 -2.712 -17.796 -1.624 235 HG2 ARG 36 2HG ARG 36 -3.493 -20.130 -1.844 236 HG3 ARG 36 1HG ARG 36 -2.224 -20.628 -0.724 237 HD2 ARG 36 2HD ARG 36 -3.193 -19.070 0.960 238 HD3 ARG 36 1HD ARG 36 -4.523 -18.763 -0.154 239 HE ARG 36 HE ARG 36 -4.057 -21.174 1.396 240 HH11 ARG 36 1HH1 ARG 36 -5.827 -19.634 -1.182 241 HH12 ARG 36 2HH1 ARG 36 -7.121 -20.787 -1.155 242 HH21 ARG 36 1HH2 ARG 36 -5.756 -22.699 1.437 243 HH22 ARG 36 2HH2 ARG 36 -7.080 -22.529 0.331 244 H ARG 37 H ARG 37 -2.077 -17.223 -4.341 245 HA ARG 37 HA ARG 37 0.366 -15.723 -4.669 246 HB2 ARG 37 2HB ARG 37 -1.169 -16.158 -6.563 247 HB3 ARG 37 1HB ARG 37 -2.396 -15.175 -5.775 248 HG2 ARG 37 2HG ARG 37 -1.026 -13.209 -5.984 249 HG3 ARG 37 1HG ARG 37 0.311 -14.169 -6.624 250 HD2 ARG 37 2HD ARG 37 -0.785 -13.086 -8.459 251 HD3 ARG 37 1HD ARG 37 -1.141 -14.808 -8.534 252 HE ARG 37 HE ARG 37 -3.008 -12.657 -7.995 253 HH11 ARG 37 1HH1 ARG 37 -2.409 -16.092 -7.975 254 HH12 ARG 37 2HH1 ARG 37 -4.087 -16.513 -7.965 255 HH21 ARG 37 1HH2 ARG 37 -5.219 -13.206 -7.987 256 HH22 ARG 37 2HH2 ARG 37 -5.684 -14.875 -7.974 257 H HIS 38 H HIS 38 0.811 -13.689 -3.932 258 HA HIS 38 HA HIS 38 -1.227 -12.303 -2.370 259 HB2 HIS 38 2HB HIS 38 1.510 -13.012 -1.297 260 HB3 HIS 38 1HB HIS 38 0.359 -11.941 -0.506 261 HD1 HIS 38 1HD HIS 38 -2.054 -13.191 0.019 262 HD2 HIS 38 2HD HIS 38 1.303 -15.586 -0.491 263 HE1 HIS 38 1HE HIS 38 -2.639 -15.399 1.069 264 HE2 HIS 38 2HE HIS 38 -0.555 -16.796 0.842 265 H HIS 39 H HIS 39 -0.514 -10.095 -1.754 266 HA HIS 39 HA HIS 39 1.428 -8.994 -3.681 267 HB2 HIS 39 2HB HIS 39 -1.255 -7.779 -2.996 268 HB3 HIS 39 1HB HIS 39 -0.062 -7.106 -4.103 269 HD1 HIS 39 1HD HIS 39 0.484 -8.804 -6.225 270 HD2 HIS 39 2HD HIS 39 -3.126 -9.293 -4.225 271 HE1 HIS 39 1HE HIS 39 -0.985 -10.103 -7.799 272 HE2 HIS 39 2HE HIS 39 -3.160 -10.401 -6.561 273 H CYS 40 H CYS 40 2.558 -7.148 -3.046 274 HA CYS 40 HA CYS 40 2.674 -6.696 -0.165 275 HB2 CYS 40 2HB CYS 40 4.809 -7.053 -1.209 276 HB3 CYS 40 1HB CYS 40 4.439 -5.907 -2.494 277 HG CYS 40 HG CYS 40 5.051 -5.028 0.427 278 H ARG 41 H ARG 41 2.054 -4.809 0.771 279 HA ARG 41 HA ARG 41 0.212 -3.169 -0.620 280 HB2 ARG 41 2HB ARG 41 1.451 -2.826 2.111 281 HB3 ARG 41 1HB ARG 41 0.072 -1.920 1.508 282 HG2 ARG 41 2HG ARG 41 -1.204 -3.996 1.311 283 HG3 ARG 41 1HG ARG 41 0.181 -4.899 1.929 284 HD2 ARG 41 2HD ARG 41 -1.293 -4.565 3.759 285 HD3 ARG 41 1HD ARG 41 0.067 -3.466 3.987 286 HE ARG 41 HE ARG 41 -1.414 -1.746 3.916 287 HH11 ARG 41 1HH1 ARG 41 -2.812 -4.454 2.229 288 HH12 ARG 41 2HH1 ARG 41 -4.313 -3.650 1.917 289 HH21 ARG 41 1HH2 ARG 41 -3.390 -0.682 3.517 290 HH22 ARG 41 2HH2 ARG 41 -4.643 -1.506 2.649 291 H ASN 42 H ASN 42 3.548 -3.004 -0.623 292 HA ASN 42 HA ASN 42 3.572 -0.086 -0.891 293 HB2 ASN 42 2HB ASN 42 5.599 -2.108 -0.116 294 HB3 ASN 42 1HB ASN 42 6.177 -0.699 -0.996 295 HD21 ASN 42 1HD2 ASN 42 5.344 -1.937 1.980 296 HD22 ASN 42 2HD2 ASN 42 5.293 -0.466 2.880 297 H CYS 43 H CYS 43 5.426 -2.695 -2.455 298 HA CYS 43 HA CYS 43 5.700 -1.158 -4.839 299 HB2 CYS 43 2HB CYS 43 6.832 -3.162 -5.740 300 HB3 CYS 43 1HB CYS 43 7.465 -2.680 -4.171 301 HG CYS 43 HG CYS 43 5.572 -4.742 -3.481 302 H GLY 44 H GLY 44 3.431 -3.512 -3.716 303 HA2 GLY 44 2HA GLY 44 1.406 -4.131 -4.634 304 HA3 GLY 44 1HA GLY 44 1.726 -3.026 -5.961 305 H TYR 45 H TYR 45 4.128 -5.389 -5.271 306 HA TYR 45 HA TYR 45 3.454 -6.767 -7.766 307 HB2 TYR 45 2HB TYR 45 5.970 -6.879 -6.093 308 HB3 TYR 45 1HB TYR 45 5.727 -7.713 -7.622 309 HD1 TYR 45 1HD TYR 45 4.522 -5.738 -9.346 310 HD2 TYR 45 2HD TYR 45 7.555 -5.232 -6.405 311 HE1 TYR 45 1HE TYR 45 5.364 -3.772 -10.561 312 HE2 TYR 45 2HE TYR 45 8.402 -3.263 -7.609 313 HH TYR 45 HH TYR 45 8.328 -2.149 -9.600 314 H VAL 46 H VAL 46 3.827 -9.117 -7.829 315 HA VAL 46 HA VAL 46 2.332 -10.336 -5.694 316 HB VAL 46 HB VAL 46 3.550 -11.622 -8.146 317 HG11 VAL 46 1HG1 VAL 46 2.062 -13.490 -7.684 318 HG12 VAL 46 2HG1 VAL 46 1.466 -12.673 -6.238 319 HG13 VAL 46 3HG1 VAL 46 3.145 -13.206 -6.318 320 HG21 VAL 46 1HG2 VAL 46 1.932 -10.551 -9.249 321 HG22 VAL 46 2HG2 VAL 46 1.170 -10.008 -7.754 322 HG23 VAL 46 3HG2 VAL 46 0.793 -11.602 -8.408 323 H LEU 47 H LEU 47 3.101 -11.455 -4.024 324 HA LEU 47 HA LEU 47 5.870 -12.446 -4.125 325 HB2 LEU 47 2HB LEU 47 4.557 -10.945 -1.855 326 HB3 LEU 47 1HB LEU 47 6.045 -11.848 -1.685 327 HG LEU 47 HG LEU 47 6.334 -9.392 -1.891 328 HD11 LEU 47 1HD1 LEU 47 8.291 -10.460 -2.340 329 HD12 LEU 47 2HD1 LEU 47 8.023 -9.639 -3.877 330 HD13 LEU 47 3HD1 LEU 47 7.623 -11.344 -3.710 331 HD21 LEU 47 1HD2 LEU 47 5.685 -8.171 -3.659 332 HD22 LEU 47 2HD2 LEU 47 4.482 -9.450 -3.818 333 HD23 LEU 47 3HD2 LEU 47 5.943 -9.488 -4.805 334 H CYS 48 H CYS 48 6.164 -14.446 -3.247 335 HA CYS 48 HA CYS 48 3.814 -15.962 -2.552 336 HB2 CYS 48 2HB CYS 48 5.251 -17.879 -2.490 337 HB3 CYS 48 1HB CYS 48 5.791 -16.893 -3.846 338 HG CYS 48 HG CYS 48 7.526 -17.771 -1.632 339 H GLY 49 H GLY 49 4.080 -17.434 -0.445 340 HA2 GLY 49 2HA GLY 49 3.824 -15.805 1.754 341 HA3 GLY 49 1HA GLY 49 4.261 -17.506 1.846 342 H ASP 50 H ASP 50 6.716 -17.700 0.906 343 HA ASP 50 HA ASP 50 8.358 -16.828 2.963 344 HB2 ASP 50 2HB ASP 50 8.950 -17.835 0.199 345 HB3 ASP 50 1HB ASP 50 10.247 -17.347 1.282 346 H CYS 51 H CYS 51 7.685 -15.248 -0.089 347 HA CYS 51 HA CYS 51 9.681 -13.207 0.451 348 HB2 CYS 51 2HB CYS 51 8.028 -13.968 -1.890 349 HB3 CYS 51 1HB CYS 51 8.479 -12.270 -1.753 350 HG CYS 51 HG CYS 51 11.006 -13.629 -1.448 351 H SER 52 H SER 52 6.644 -13.786 1.504 352 HA SER 52 HA SER 52 6.140 -10.934 1.951 353 HB2 SER 52 2HB SER 52 3.771 -11.222 1.628 354 HB3 SER 52 1HB SER 52 4.579 -11.874 0.202 355 HG SER 52 HG SER 52 3.360 -13.257 2.337 356 H ARG 53 H ARG 53 7.419 -13.141 3.468 357 HA ARG 53 HA ARG 53 5.589 -13.764 5.605 358 HB2 ARG 53 2HB ARG 53 8.528 -14.300 5.200 359 HB3 ARG 53 1HB ARG 53 7.706 -14.693 6.703 360 HG2 ARG 53 2HG ARG 53 6.143 -16.120 5.380 361 HG3 ARG 53 1HG ARG 53 7.160 -15.820 3.974 362 HD2 ARG 53 2HD ARG 53 7.993 -17.147 6.543 363 HD3 ARG 53 1HD ARG 53 7.764 -17.930 4.981 364 HE ARG 53 HE ARG 53 9.702 -15.818 4.912 365 HH11 ARG 53 1HH1 ARG 53 9.188 -19.185 5.640 366 HH12 ARG 53 2HH1 ARG 53 10.843 -19.627 5.382 367 HH21 ARG 53 1HH2 ARG 53 11.880 -16.386 4.568 368 HH22 ARG 53 2HH2 ARG 53 12.374 -18.034 4.772 369 H HIS 54 H HIS 54 7.730 -11.178 4.837 370 HA HIS 54 HA HIS 54 8.224 -10.395 7.551 371 HB2 HIS 54 2HB HIS 54 8.607 -8.942 4.928 372 HB3 HIS 54 1HB HIS 54 9.107 -8.298 6.483 373 HD1 HIS 54 1HD HIS 54 9.814 -11.289 4.253 374 HD2 HIS 54 2HD HIS 54 11.628 -8.996 7.206 375 HE1 HIS 54 1HE HIS 54 12.189 -12.107 4.376 376 HE2 HIS 54 2HE HIS 54 13.263 -10.719 6.184 377 H ARG 55 H ARG 55 7.614 -8.198 8.304 378 HA ARG 55 HA ARG 55 5.091 -7.206 7.240 379 HB2 ARG 55 2HB ARG 55 5.228 -7.535 10.200 380 HB3 ARG 55 1HB ARG 55 3.828 -7.485 9.132 381 HG2 ARG 55 2HG ARG 55 4.372 -9.728 8.318 382 HG3 ARG 55 1HG ARG 55 5.748 -9.787 9.421 383 HD2 ARG 55 2HD ARG 55 4.107 -9.383 11.293 384 HD3 ARG 55 1HD ARG 55 2.823 -9.653 10.115 385 HE ARG 55 HE ARG 55 4.281 -11.866 9.815 386 HH11 ARG 55 1HH1 ARG 55 3.142 -10.250 12.683 387 HH12 ARG 55 2HH1 ARG 55 3.031 -11.705 13.614 388 HH21 ARG 55 1HH2 ARG 55 4.139 -13.788 11.036 389 HH22 ARG 55 2HH2 ARG 55 3.597 -13.714 12.680 390 H ALA 56 H ALA 56 4.853 -5.043 7.449 391 HA ALA 56 HA ALA 56 6.378 -3.492 9.351 392 HB1 ALA 56 1HB ALA 56 7.286 -2.189 7.151 393 HB2 ALA 56 2HB ALA 56 7.376 -3.870 6.625 394 HB3 ALA 56 3HB ALA 56 8.219 -3.356 8.086 395 H ALA 57 H ALA 57 5.871 -1.226 9.340 396 HA ALA 57 HA ALA 57 3.199 -0.720 8.354 397 HB1 ALA 57 1HB ALA 57 3.811 0.012 10.615 398 HB2 ALA 57 2HB ALA 57 3.374 1.386 9.598 399 HB3 ALA 57 3HB ALA 57 5.071 1.046 9.941 400 H ILE 58 H ILE 58 2.729 1.265 7.114 401 HA ILE 58 HA ILE 58 4.973 2.140 5.446 402 HB ILE 58 HB ILE 58 2.319 1.725 4.154 403 HG12 ILE 58 2HG1 ILE 58 4.316 -0.476 4.733 404 HG13 ILE 58 1HG1 ILE 58 2.649 -0.398 5.289 405 HG21 ILE 58 1HG2 ILE 58 4.150 2.838 2.980 406 HG22 ILE 58 2HG2 ILE 58 3.713 1.316 2.204 407 HG23 ILE 58 3HG2 ILE 58 5.162 1.412 3.204 408 HD11 ILE 58 1HD1 ILE 58 1.857 -1.236 3.377 409 HD12 ILE 58 2HD1 ILE 58 3.518 -1.767 3.111 410 HD13 ILE 58 3HD1 ILE 58 2.944 -0.265 2.385 411 HA PRO 59 HA PRO 59 2.501 5.638 7.252 412 HB2 PRO 59 2HB PRO 59 4.688 7.196 7.743 413 HB3 PRO 59 1HB PRO 59 4.052 6.001 8.880 414 HG2 PRO 59 2HG PRO 59 6.318 5.742 6.937 415 HG3 PRO 59 1HG PRO 59 6.236 5.228 8.635 416 HD2 PRO 59 2HD PRO 59 5.907 3.479 6.627 417 HD3 PRO 59 1HD PRO 59 4.975 3.344 8.133 418 H MET 60 H MET 60 4.574 5.319 4.494 419 HA MET 60 HA MET 60 4.087 8.055 3.629 420 HB2 MET 60 2HB MET 60 5.463 5.712 2.291 421 HB3 MET 60 1HB MET 60 5.331 7.320 1.592 422 HG2 MET 60 2HG MET 60 6.580 8.212 3.540 423 HG3 MET 60 1HG MET 60 6.799 6.557 4.105 424 HE1 MET 60 1HE MET 60 8.971 7.891 4.248 425 HE2 MET 60 2HE MET 60 9.987 8.354 2.883 426 HE3 MET 60 3HE MET 60 10.082 6.720 3.538 427 H ARG 61 H ARG 61 3.097 4.780 3.035 428 HA ARG 61 HA ARG 61 1.301 5.452 0.868 429 HB2 ARG 61 2HB ARG 61 1.537 2.860 2.391 430 HB3 ARG 61 1HB ARG 61 0.807 3.098 0.809 431 HG2 ARG 61 2HG ARG 61 3.722 3.489 1.453 432 HG3 ARG 61 1HG ARG 61 3.027 2.069 0.671 433 HD2 ARG 61 2HD ARG 61 2.797 4.865 -0.414 434 HD3 ARG 61 1HD ARG 61 4.074 3.738 -0.874 435 HE ARG 61 HE ARG 61 1.826 2.326 -1.352 436 HH11 ARG 61 1HH1 ARG 61 2.862 5.519 -2.260 437 HH12 ARG 61 2HH1 ARG 61 1.987 5.521 -3.754 438 HH21 ARG 61 1HH2 ARG 61 0.667 2.311 -3.315 439 HH22 ARG 61 2HH2 ARG 61 0.736 3.695 -4.356 440 H GLY 62 H GLY 62 1.127 6.098 3.995 441 HA2 GLY 62 2HA GLY 62 -0.747 6.950 5.127 442 HA3 GLY 62 1HA GLY 62 -1.785 6.100 3.994 443 H ILE 63 H ILE 63 0.662 4.105 5.175 444 HA ILE 63 HA ILE 63 -1.251 2.797 6.968 445 HB ILE 63 HB ILE 63 1.293 1.747 5.720 446 HG12 ILE 63 2HG1 ILE 63 -1.574 1.086 5.023 447 HG13 ILE 63 1HG1 ILE 63 -0.600 2.258 4.143 448 HG21 ILE 63 1HG2 ILE 63 -0.795 0.429 7.429 449 HG22 ILE 63 2HG2 ILE 63 0.943 0.534 7.708 450 HG23 ILE 63 3HG2 ILE 63 0.320 -0.478 6.405 451 HD11 ILE 63 1HD1 ILE 63 0.815 0.618 3.293 452 HD12 ILE 63 2HD1 ILE 63 -0.794 -0.096 3.193 453 HD13 ILE 63 3HD1 ILE 63 0.304 -0.572 4.490 454 H THR 64 H THR 64 -1.009 3.662 8.957 455 HA THR 64 HA THR 64 1.631 4.297 9.989 456 HB THR 64 HB THR 64 0.370 5.127 11.974 457 HG1 THR 64 1HG THR 64 -1.446 3.687 11.651 458 HG21 THR 64 1HG2 THR 64 0.786 6.479 9.800 459 HG22 THR 64 2HG2 THR 64 -0.326 7.097 11.024 460 HG23 THR 64 3HG2 THR 64 -0.957 6.306 9.580 461 H GLU 65 H GLU 65 -0.517 1.662 10.053 462 HA GLU 65 HA GLU 65 0.773 0.554 12.450 463 HB2 GLU 65 2HB GLU 65 -1.498 -0.831 11.098 464 HB3 GLU 65 1HB GLU 65 -1.094 -0.752 12.808 465 HG2 GLU 65 2HG GLU 65 -1.990 1.434 13.008 466 HG3 GLU 65 1HG GLU 65 -2.151 1.594 11.260 467 HA PRO 66 HA PRO 66 3.341 -2.003 9.988 468 HB2 PRO 66 2HB PRO 66 3.246 -4.327 11.539 469 HB3 PRO 66 1HB PRO 66 4.365 -2.981 11.779 470 HG2 PRO 66 2HG PRO 66 1.794 -3.583 13.174 471 HG3 PRO 66 1HG PRO 66 3.299 -2.915 13.833 472 HD2 PRO 66 2HD PRO 66 1.174 -1.354 13.349 473 HD3 PRO 66 1HD PRO 66 2.830 -0.773 13.059 474 H GLU 67 H GLU 67 2.773 -2.872 8.152 475 HA GLU 67 HA GLU 67 0.607 -4.859 8.096 476 HB2 GLU 67 2HB GLU 67 1.200 -2.702 6.063 477 HB3 GLU 67 1HB GLU 67 0.020 -3.983 5.840 478 HG2 GLU 67 2HG GLU 67 -0.061 -1.873 7.980 479 HG3 GLU 67 1HG GLU 67 -1.037 -1.899 6.514 480 H ARG 68 H ARG 68 0.716 -6.230 6.067 481 HA ARG 68 HA ARG 68 3.297 -7.420 5.950 482 HB2 ARG 68 2HB ARG 68 0.885 -7.981 4.230 483 HB3 ARG 68 1HB ARG 68 2.295 -9.015 4.434 484 HG2 ARG 68 2HG ARG 68 1.750 -9.170 6.857 485 HG3 ARG 68 1HG ARG 68 0.252 -8.303 6.518 486 HD2 ARG 68 2HD ARG 68 -0.272 -10.111 4.839 487 HD3 ARG 68 1HD ARG 68 1.100 -11.002 5.494 488 HE ARG 68 HE ARG 68 -0.155 -11.519 7.340 489 HH11 ARG 68 1HH1 ARG 68 -1.705 -8.952 5.571 490 HH12 ARG 68 2HH1 ARG 68 -3.159 -9.005 6.512 491 HH21 ARG 68 1HH2 ARG 68 -2.062 -11.596 8.589 492 HH22 ARG 68 2HH2 ARG 68 -3.361 -10.509 8.228 493 H VAL 69 H VAL 69 4.794 -7.454 4.415 494 HA VAL 69 HA VAL 69 4.420 -6.087 1.860 495 HB VAL 69 HB VAL 69 6.554 -4.846 2.123 496 HG11 VAL 69 1HG1 VAL 69 4.456 -3.676 2.372 497 HG12 VAL 69 2HG1 VAL 69 5.640 -3.038 3.516 498 HG13 VAL 69 3HG1 VAL 69 4.374 -4.130 4.077 499 HG21 VAL 69 1HG2 VAL 69 7.732 -5.924 3.821 500 HG22 VAL 69 2HG2 VAL 69 6.347 -5.921 4.915 501 HG23 VAL 69 3HG2 VAL 69 7.207 -4.419 4.581 502 H CYS 70 H CYS 70 6.748 -6.214 0.729 503 HA CYS 70 HA CYS 70 7.502 -9.030 0.859 504 HB2 CYS 70 2HB CYS 70 8.283 -8.846 -1.332 505 HB3 CYS 70 1HB CYS 70 6.914 -7.743 -1.332 506 HG CYS 70 HG CYS 70 9.675 -6.988 -2.048 507 H ASP 71 H ASP 71 10.137 -8.734 -0.188 508 HA ASP 71 HA ASP 71 11.451 -7.979 2.284 509 HB2 ASP 71 2HB ASP 71 12.549 -9.192 -0.262 510 HB3 ASP 71 1HB ASP 71 13.497 -8.895 1.193 511 H ALA 72 H ALA 72 11.494 -6.828 -1.076 512 HA ALA 72 HA ALA 72 13.546 -4.919 -0.649 513 HB1 ALA 72 1HB ALA 72 11.473 -4.415 -2.714 514 HB2 ALA 72 2HB ALA 72 12.457 -5.871 -2.861 515 HB3 ALA 72 3HB ALA 72 13.228 -4.286 -2.816 516 H CYS 73 H CYS 73 10.012 -4.650 -0.587 517 HA CYS 73 HA CYS 73 9.915 -1.875 -0.103 518 HB2 CYS 73 2HB CYS 73 7.919 -4.038 0.607 519 HB3 CYS 73 1HB CYS 73 7.593 -2.307 0.652 520 HG CYS 73 HG CYS 73 8.419 -3.492 -2.071 521 H TYR 74 H TYR 74 10.005 -4.684 2.047 522 HA TYR 74 HA TYR 74 9.623 -3.378 4.480 523 HB2 TYR 74 2HB TYR 74 9.654 -5.828 4.231 524 HB3 TYR 74 1HB TYR 74 11.370 -5.777 3.857 525 HD1 TYR 74 1HD TYR 74 8.926 -4.975 6.547 526 HD2 TYR 74 2HD TYR 74 12.944 -5.966 5.566 527 HE1 TYR 74 1HE TYR 74 9.440 -5.235 8.939 528 HE2 TYR 74 2HE TYR 74 13.471 -6.223 7.954 529 HH TYR 74 HH TYR 74 11.517 -6.760 10.226 530 H LEU 75 H LEU 75 12.508 -3.853 2.528 531 HA LEU 75 HA LEU 75 14.344 -2.670 4.356 532 HB2 LEU 75 2HB LEU 75 14.382 -3.534 1.519 533 HB3 LEU 75 1HB LEU 75 15.612 -2.399 2.032 534 HG LEU 75 HG LEU 75 15.151 -4.964 3.528 535 HD11 LEU 75 1HD1 LEU 75 16.861 -4.537 1.082 536 HD12 LEU 75 2HD1 LEU 75 15.512 -5.659 1.260 537 HD13 LEU 75 3HD1 LEU 75 17.001 -5.920 2.170 538 HD21 LEU 75 1HD2 LEU 75 17.024 -4.436 4.653 539 HD22 LEU 75 2HD2 LEU 75 16.685 -2.796 4.098 540 HD23 LEU 75 3HD2 LEU 75 17.831 -3.805 3.217 541 H ALA 76 H ALA 76 12.806 -1.408 1.404 542 HA ALA 76 HA ALA 76 14.027 1.074 1.388 543 HB1 ALA 76 1HB ALA 76 12.804 0.394 -0.529 544 HB2 ALA 76 2HB ALA 76 11.998 1.834 0.094 545 HB3 ALA 76 3HB ALA 76 11.310 0.238 0.395 546 H LEU 77 H LEU 77 10.999 0.152 3.001 547 HA LEU 77 HA LEU 77 10.373 2.721 3.991 548 HB2 LEU 77 2HB LEU 77 9.696 -0.004 5.085 549 HB3 LEU 77 1HB LEU 77 8.981 1.494 5.642 550 HG LEU 77 HG LEU 77 8.754 0.512 2.801 551 HD11 LEU 77 1HD1 LEU 77 6.335 0.372 4.363 552 HD12 LEU 77 2HD1 LEU 77 7.603 -0.638 5.060 553 HD13 LEU 77 3HD1 LEU 77 7.117 -0.869 3.382 554 HD21 LEU 77 1HD2 LEU 77 7.204 2.590 4.351 555 HD22 LEU 77 2HD2 LEU 77 6.920 2.119 2.675 556 HD23 LEU 77 3HD2 LEU 77 8.425 2.923 3.123 557 H ARG 78 H ARG 78 12.299 0.083 5.280 558 HA ARG 78 HA ARG 78 12.695 1.099 7.863 559 HB2 ARG 78 2HB ARG 78 14.348 -0.769 6.176 560 HB3 ARG 78 1HB ARG 78 14.694 -0.423 7.866 561 HG2 ARG 78 2HG ARG 78 12.653 -1.390 8.574 562 HG3 ARG 78 1HG ARG 78 12.052 -1.493 6.921 563 HD2 ARG 78 2HD ARG 78 12.747 -3.640 7.177 564 HD3 ARG 78 1HD ARG 78 14.258 -2.934 6.616 565 HE ARG 78 HE ARG 78 13.662 -3.905 9.281 566 HH11 ARG 78 1HH1 ARG 78 15.805 -2.037 7.265 567 HH12 ARG 78 2HH1 ARG 78 17.153 -2.192 8.341 568 HH21 ARG 78 1HH2 ARG 78 15.428 -4.108 10.699 569 HH22 ARG 78 2HH2 ARG 78 16.940 -3.368 10.291 570 H SER 79 H SER 79 13.764 2.384 4.951 571 HA SER 79 HA SER 79 16.388 3.165 5.508 572 HB2 SER 79 2HB SER 79 14.298 4.651 3.897 573 HB3 SER 79 1HB SER 79 16.041 4.899 3.807 574 HG SER 79 HG SER 79 14.867 3.392 2.242 575 H SER 80 H SER 80 17.232 5.169 6.233 576 HA SER 80 HA SER 80 15.415 6.665 8.006 577 HB2 SER 80 2HB SER 80 18.351 6.073 8.466 578 HB3 SER 80 1HB SER 80 17.299 6.992 9.542 579 HG SER 80 HG SER 80 16.235 5.174 10.082 580 H ASN 81 H ASN 81 15.682 8.897 8.131 581 HA ASN 81 HA ASN 81 17.043 10.059 5.829 582 HB2 ASN 81 2HB ASN 81 15.087 11.243 7.809 583 HB3 ASN 81 1HB ASN 81 15.810 12.137 6.476 584 HD21 ASN 81 1HD2 ASN 81 13.144 12.029 6.606 585 HD22 ASN 81 2HD2 ASN 81 12.506 10.995 5.378 586 H MET 82 H MET 82 18.781 11.377 5.944 587 HA MET 82 HA MET 82 20.194 11.515 8.465 588 HB2 MET 82 2HB MET 82 20.915 12.515 5.704 589 HB3 MET 82 1HB MET 82 21.980 12.595 7.099 590 HG2 MET 82 2HG MET 82 21.889 10.129 7.257 591 HG3 MET 82 1HG MET 82 20.929 10.105 5.779 592 HE1 MET 82 1HE MET 82 24.446 8.722 4.748 593 HE2 MET 82 2HE MET 82 22.786 8.642 4.156 594 HE3 MET 82 3HE MET 82 23.131 8.338 5.859 595 H ALA 83 H ALA 83 20.334 13.228 9.780 596 HA ALA 83 HA ALA 83 18.590 15.412 9.531 597 HB1 ALA 83 1HB ALA 83 19.722 16.330 11.474 598 HB2 ALA 83 2HB ALA 83 21.052 15.194 11.257 599 HB3 ALA 83 3HB ALA 83 19.447 14.600 11.680 600 H GLY 84 H GLY 84 18.926 17.577 9.016 601 HA2 GLY 84 2HA GLY 84 21.227 18.939 8.498 602 HA3 GLY 84 1HA GLY 84 20.939 18.043 7.013 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 23.219 15.356 3.956 2 H2 GLY 1 2HT GLY 1 21.753 16.199 3.982 3 H3 GLY 1 3HT GLY 1 23.151 16.951 3.398 4 HA2 GLY 1 1HA GLY 1 22.314 16.398 1.400 5 HA3 GLY 1 2HA GLY 1 23.101 14.871 1.773 6 HA PRO 2 HA PRO 2 18.325 14.396 2.798 7 HB2 PRO 2 2HB PRO 2 16.799 16.123 1.282 8 HB3 PRO 2 1HB PRO 2 17.207 16.375 2.982 9 HG2 PRO 2 2HG PRO 2 18.480 17.529 0.536 10 HG3 PRO 2 1HG PRO 2 18.116 18.310 2.086 11 HD2 PRO 2 2HD PRO 2 20.601 17.510 1.465 12 HD3 PRO 2 1HD PRO 2 19.978 17.400 3.124 13 H LEU 3 H LEU 3 17.086 12.971 1.612 14 HA LEU 3 HA LEU 3 18.118 12.272 -0.992 15 HB2 LEU 3 2HB LEU 3 15.812 11.038 0.513 16 HB3 LEU 3 1HB LEU 3 16.668 10.340 -0.848 17 HG LEU 3 HG LEU 3 17.769 10.795 1.923 18 HD11 LEU 3 1HD1 LEU 3 17.190 8.275 0.372 19 HD12 LEU 3 2HD1 LEU 3 16.269 8.888 1.746 20 HD13 LEU 3 3HD1 LEU 3 17.936 8.357 1.968 21 HD21 LEU 3 1HD2 LEU 3 19.830 9.845 1.160 22 HD22 LEU 3 2HD2 LEU 3 19.434 11.212 0.118 23 HD23 LEU 3 3HD2 LEU 3 19.162 9.565 -0.449 24 H GLY 4 H GLY 4 17.147 12.545 -2.938 25 HA2 GLY 4 2HA GLY 4 14.552 13.963 -2.930 26 HA3 GLY 4 1HA GLY 4 15.845 14.327 -4.064 27 H SER 5 H SER 5 12.936 12.942 -3.894 28 HA SER 5 HA SER 5 13.584 10.986 -6.001 29 HB2 SER 5 2HB SER 5 11.348 10.801 -3.965 30 HB3 SER 5 1HB SER 5 11.666 9.640 -5.255 31 HG SER 5 HG SER 5 13.575 10.305 -3.271 32 H MET 6 H MET 6 12.228 10.893 -7.785 33 HA MET 6 HA MET 6 10.093 12.904 -7.935 34 HB2 MET 6 2HB MET 6 12.256 12.456 -9.998 35 HB3 MET 6 1HB MET 6 10.824 13.442 -10.257 36 HG2 MET 6 2HG MET 6 11.542 14.859 -8.338 37 HG3 MET 6 1HG MET 6 13.042 13.934 -8.288 38 HE1 MET 6 1HE MET 6 11.723 16.713 -11.721 39 HE2 MET 6 2HE MET 6 10.990 16.716 -10.117 40 HE3 MET 6 3HE MET 6 10.783 15.323 -11.178 41 H GLY 7 H GLY 7 8.624 12.534 -9.816 42 HA2 GLY 7 2HA GLY 7 7.397 11.163 -11.223 43 HA3 GLY 7 1HA GLY 7 8.634 9.930 -11.041 44 H GLU 8 H GLU 8 6.763 11.508 -8.488 45 HA GLU 8 HA GLU 8 6.032 8.921 -7.423 46 HB2 GLU 8 2HB GLU 8 5.376 11.718 -6.475 47 HB3 GLU 8 1HB GLU 8 4.989 10.243 -5.599 48 HG2 GLU 8 2HG GLU 8 6.918 10.917 -4.561 49 HG3 GLU 8 1HG GLU 8 7.534 9.782 -5.761 50 H LYS 9 H LYS 9 4.836 10.451 -9.944 51 HA LYS 9 HA LYS 9 2.085 10.722 -9.496 52 HB2 LYS 9 2HB LYS 9 3.305 11.495 -11.537 53 HB3 LYS 9 1HB LYS 9 3.443 9.819 -12.046 54 HG2 LYS 9 2HG LYS 9 1.001 9.651 -12.134 55 HG3 LYS 9 1HG LYS 9 0.878 11.345 -11.655 56 HD2 LYS 9 2HD LYS 9 2.171 11.963 -13.678 57 HD3 LYS 9 1HD LYS 9 2.157 10.268 -14.167 58 HE2 LYS 9 2HE LYS 9 -0.493 11.265 -13.513 59 HE3 LYS 9 1HE LYS 9 0.268 12.179 -14.814 60 HZ1 LYS 9 1HZ LYS 9 0.429 9.269 -14.962 61 HZ2 LYS 9 2HZ LYS 9 0.244 10.406 -16.200 62 HZ3 LYS 9 3HZ LYS 9 -1.085 9.968 -15.251 63 H GLN 10 H GLN 10 4.105 7.999 -9.553 64 HA GLN 10 HA GLN 10 2.525 5.949 -10.522 65 HB2 GLN 10 2HB GLN 10 4.845 5.636 -9.893 66 HB3 GLN 10 1HB GLN 10 4.470 5.964 -8.205 67 HG2 GLN 10 2HG GLN 10 3.114 3.933 -8.116 68 HG3 GLN 10 1HG GLN 10 3.478 3.614 -9.812 69 HE21 GLN 10 1HE2 GLN 10 4.056 1.680 -8.071 70 HE22 GLN 10 2HE2 GLN 10 5.761 1.559 -7.814 71 H SER 11 H SER 11 0.968 4.604 -9.648 72 HA SER 11 HA SER 11 -0.863 5.722 -7.846 73 HB2 SER 11 2HB SER 11 -0.565 2.813 -8.636 74 HB3 SER 11 1HB SER 11 -1.995 3.545 -7.912 75 HG SER 11 HG SER 11 -1.593 5.040 -9.927 76 H LYS 12 H LYS 12 -1.530 4.934 -5.752 77 HA LYS 12 HA LYS 12 0.529 4.820 -3.888 78 HB2 LYS 12 2HB LYS 12 -2.337 3.899 -3.622 79 HB3 LYS 12 1HB LYS 12 -1.231 4.111 -2.272 80 HG2 LYS 12 2HG LYS 12 -0.995 6.507 -2.957 81 HG3 LYS 12 1HG LYS 12 -2.299 6.232 -4.114 82 HD2 LYS 12 2HD LYS 12 -2.504 5.778 -1.138 83 HD3 LYS 12 1HD LYS 12 -3.082 7.216 -1.982 84 HE2 LYS 12 2HE LYS 12 -4.398 5.497 -3.433 85 HE3 LYS 12 1HE LYS 12 -4.130 4.419 -2.063 86 HZ1 LYS 12 1HZ LYS 12 -6.247 5.861 -2.138 87 HZ2 LYS 12 2HZ LYS 12 -5.234 7.115 -1.623 88 HZ3 LYS 12 3HZ LYS 12 -5.405 5.723 -0.677 89 H GLY 13 H GLY 13 -1.118 2.243 -5.600 90 HA2 GLY 13 2HA GLY 13 0.956 0.388 -4.982 91 HA3 GLY 13 1HA GLY 13 -0.491 0.044 -4.049 92 H TYR 14 H TYR 14 0.993 -0.019 -7.178 93 HA TYR 14 HA TYR 14 -1.392 -0.829 -8.573 94 HB2 TYR 14 2HB TYR 14 0.442 0.372 -9.713 95 HB3 TYR 14 1HB TYR 14 1.495 -1.014 -9.453 96 HD1 TYR 14 1HD TYR 14 -1.440 0.229 -11.292 97 HD2 TYR 14 2HD TYR 14 1.306 -2.985 -10.817 98 HE1 TYR 14 1HE TYR 14 -2.233 -0.751 -13.403 99 HE2 TYR 14 2HE TYR 14 0.523 -3.975 -12.928 100 HH TYR 14 HH TYR 14 -2.084 -2.466 -14.810 101 H TRP 15 H TRP 15 -2.214 -2.800 -8.593 102 HA TRP 15 HA TRP 15 -0.674 -5.012 -7.474 103 HB2 TRP 15 2HB TRP 15 -2.842 -6.224 -7.520 104 HB3 TRP 15 1HB TRP 15 -2.919 -4.719 -6.610 105 HD1 TRP 15 HD TRP 15 -4.405 -6.473 -9.603 106 HE1 TRP 15 1HE TRP 15 -6.266 -5.013 -10.615 107 HE3 TRP 15 3HE TRP 15 -3.583 -2.167 -6.968 108 HZ2 TRP 15 2HZ TRP 15 -7.257 -2.384 -10.332 109 HZ3 TRP 15 3HZ TRP 15 -5.033 -0.226 -7.398 110 HH2 TRP 15 HH TRP 15 -6.831 -0.334 -9.046 111 H GLN 16 H GLN 16 0.441 -6.306 -8.761 112 HA GLN 16 HA GLN 16 -0.121 -6.430 -11.610 113 HB2 GLN 16 2HB GLN 16 2.220 -6.312 -10.704 114 HB3 GLN 16 1HB GLN 16 1.983 -7.912 -10.016 115 HG2 GLN 16 2HG GLN 16 1.576 -8.783 -12.294 116 HG3 GLN 16 1HG GLN 16 1.959 -7.184 -12.932 117 HE21 GLN 16 1HE2 GLN 16 3.984 -6.812 -13.471 118 HE22 GLN 16 2HE2 GLN 16 5.357 -7.723 -12.953 119 H GLU 17 H GLU 17 -1.218 -7.927 -12.606 120 HA GLU 17 HA GLU 17 -2.851 -9.717 -11.276 121 HB2 GLU 17 2HB GLU 17 -1.985 -9.744 -14.167 122 HB3 GLU 17 1HB GLU 17 -3.329 -10.672 -13.513 123 HG2 GLU 17 2HG GLU 17 -4.417 -8.569 -12.838 124 HG3 GLU 17 1HG GLU 17 -3.093 -7.673 -13.580 125 H ASP 18 H ASP 18 -2.992 -11.988 -11.316 126 HA ASP 18 HA ASP 18 -0.730 -13.398 -10.453 127 HB2 ASP 18 2HB ASP 18 -2.148 -15.407 -10.771 128 HB3 ASP 18 1HB ASP 18 -2.949 -14.124 -9.870 129 H GLU 19 H GLU 19 -2.294 -13.329 -13.633 130 HA GLU 19 HA GLU 19 -0.658 -15.296 -14.806 131 HB2 GLU 19 2HB GLU 19 -2.247 -13.052 -16.047 132 HB3 GLU 19 1HB GLU 19 -1.461 -14.323 -16.972 133 HG2 GLU 19 2HG GLU 19 -2.827 -15.994 -15.786 134 HG3 GLU 19 1HG GLU 19 -3.648 -14.684 -14.936 135 H ASP 20 H ASP 20 -0.388 -11.773 -14.710 136 HA ASP 20 HA ASP 20 1.855 -11.625 -16.430 137 HB2 ASP 20 2HB ASP 20 0.849 -9.700 -14.323 138 HB3 ASP 20 1HB ASP 20 2.139 -9.331 -15.462 139 H ALA 21 H ALA 21 1.461 -12.113 -13.010 140 HA ALA 21 HA ALA 21 4.389 -12.239 -12.678 141 HB1 ALA 21 1HB ALA 21 2.549 -10.816 -11.201 142 HB2 ALA 21 2HB ALA 21 4.189 -11.225 -10.697 143 HB3 ALA 21 3HB ALA 21 2.838 -12.250 -10.215 144 HA PRO 22 HA PRO 22 2.796 -16.621 -12.405 145 HB2 PRO 22 2HB PRO 22 4.682 -17.688 -14.025 146 HB3 PRO 22 1HB PRO 22 3.194 -16.967 -14.644 147 HG2 PRO 22 2HG PRO 22 5.932 -15.773 -14.454 148 HG3 PRO 22 1HG PRO 22 4.781 -15.716 -15.803 149 HD2 PRO 22 2HD PRO 22 5.095 -13.660 -14.073 150 HD3 PRO 22 1HD PRO 22 3.535 -14.037 -14.833 151 H ALA 23 H ALA 23 5.719 -14.966 -11.792 152 HA ALA 23 HA ALA 23 6.510 -17.039 -9.866 153 HB1 ALA 23 1HB ALA 23 8.928 -16.007 -10.655 154 HB2 ALA 23 2HB ALA 23 8.043 -16.126 -12.177 155 HB3 ALA 23 3HB ALA 23 8.257 -17.556 -11.167 156 H CYS 24 H CYS 24 7.840 -16.206 -8.090 157 HA CYS 24 HA CYS 24 6.843 -13.807 -7.068 158 HB2 CYS 24 2HB CYS 24 7.817 -15.782 -5.796 159 HB3 CYS 24 1HB CYS 24 9.405 -15.118 -6.171 160 HG CYS 24 HG CYS 24 7.622 -13.106 -4.766 161 H ASN 25 H ASN 25 7.333 -11.799 -7.453 162 HA ASN 25 HA ASN 25 9.323 -10.943 -9.234 163 HB2 ASN 25 2HB ASN 25 7.759 -9.417 -7.147 164 HB3 ASN 25 1HB ASN 25 8.757 -8.661 -8.383 165 HD21 ASN 25 1HD2 ASN 25 8.247 -9.685 -10.656 166 HD22 ASN 25 2HD2 ASN 25 6.567 -9.710 -11.056 167 H GLY 26 H GLY 26 9.408 -11.534 -5.805 168 HA2 GLY 26 2HA GLY 26 11.820 -9.979 -5.421 169 HA3 GLY 26 1HA GLY 26 10.971 -10.909 -4.202 170 H CYS 27 H CYS 27 11.040 -13.452 -4.977 171 HA CYS 27 HA CYS 27 13.925 -13.973 -5.117 172 HB2 CYS 27 2HB CYS 27 13.458 -16.091 -4.017 173 HB3 CYS 27 1HB CYS 27 12.747 -14.764 -3.104 174 HG CYS 27 HG CYS 27 10.427 -15.524 -4.325 175 H GLY 28 H GLY 28 11.346 -14.035 -7.199 176 HA2 GLY 28 2HA GLY 28 11.185 -14.893 -9.318 177 HA3 GLY 28 1HA GLY 28 12.807 -15.533 -9.120 178 H CYS 29 H CYS 29 10.830 -16.609 -6.613 179 HA CYS 29 HA CYS 29 10.910 -19.286 -7.574 180 HB2 CYS 29 2HB CYS 29 9.935 -19.930 -5.536 181 HB3 CYS 29 1HB CYS 29 10.901 -18.516 -5.126 182 HG CYS 29 HG CYS 29 8.766 -17.910 -4.012 183 H VAL 30 H VAL 30 9.303 -20.585 -8.355 184 HA VAL 30 HA VAL 30 7.194 -19.209 -9.757 185 HB VAL 30 HB VAL 30 7.241 -22.166 -9.700 186 HG11 VAL 30 1HG1 VAL 30 6.440 -19.997 -11.480 187 HG12 VAL 30 2HG1 VAL 30 5.810 -21.636 -11.330 188 HG13 VAL 30 3HG1 VAL 30 7.251 -21.333 -12.299 189 HG21 VAL 30 1HG2 VAL 30 9.094 -21.953 -11.529 190 HG22 VAL 30 2HG2 VAL 30 9.540 -22.036 -9.825 191 HG23 VAL 30 3HG2 VAL 30 9.512 -20.480 -10.654 192 H PHE 31 H PHE 31 5.058 -19.246 -9.360 193 HA PHE 31 HA PHE 31 4.193 -20.155 -6.756 194 HB2 PHE 31 2HB PHE 31 2.654 -18.791 -8.979 195 HB3 PHE 31 1HB PHE 31 2.028 -19.121 -7.366 196 HD1 PHE 31 2HD PHE 31 3.203 -18.044 -5.387 197 HD2 PHE 31 1HD PHE 31 3.850 -16.841 -9.417 198 HE1 PHE 31 2HE PHE 31 4.099 -15.894 -4.597 199 HE2 PHE 31 1HE PHE 31 4.748 -14.689 -8.634 200 HZ PHE 31 HZ PHE 31 4.874 -14.212 -6.221 201 H THR 32 H THR 32 3.051 -21.883 -6.309 202 HA THR 32 HA THR 32 2.057 -23.545 -8.529 203 HB THR 32 HB THR 32 2.799 -25.525 -7.434 204 HG1 THR 32 1HG THR 32 3.367 -23.830 -5.243 205 HG21 THR 32 1HG2 THR 32 5.248 -24.243 -6.680 206 HG22 THR 32 2HG2 THR 32 4.644 -23.572 -8.196 207 HG23 THR 32 3HG2 THR 32 4.910 -25.309 -8.045 208 H THR 33 H THR 33 0.536 -25.302 -7.636 209 HA THR 33 HA THR 33 -1.812 -24.164 -6.754 210 HB THR 33 HB THR 33 -2.592 -26.423 -6.314 211 HG1 THR 33 1HG THR 33 -0.722 -27.180 -5.221 212 HG21 THR 33 1HG2 THR 33 -1.454 -25.622 -8.746 213 HG22 THR 33 2HG2 THR 33 -2.686 -26.854 -8.474 214 HG23 THR 33 3HG2 THR 33 -0.981 -27.302 -8.496 215 H THR 34 H THR 34 0.754 -25.617 -4.768 216 HA THR 34 HA THR 34 -0.797 -25.329 -2.366 217 HB THR 34 HB THR 34 1.178 -26.140 -1.199 218 HG1 THR 34 1HG THR 34 3.095 -25.869 -1.987 219 HG21 THR 34 1HG2 THR 34 1.732 -28.185 -2.597 220 HG22 THR 34 2HG2 THR 34 0.581 -27.549 -3.772 221 HG23 THR 34 3HG2 THR 34 0.045 -27.951 -2.141 222 H VAL 35 H VAL 35 1.386 -23.282 -4.134 223 HA VAL 35 HA VAL 35 1.746 -21.555 -1.798 224 HB VAL 35 HB VAL 35 2.937 -21.486 -4.554 225 HG11 VAL 35 1HG1 VAL 35 4.242 -19.521 -3.730 226 HG12 VAL 35 2HG1 VAL 35 3.141 -19.444 -2.354 227 HG13 VAL 35 3HG1 VAL 35 2.525 -19.205 -3.990 228 HG21 VAL 35 1HG2 VAL 35 3.728 -22.633 -2.073 229 HG22 VAL 35 2HG2 VAL 35 4.855 -21.339 -2.485 230 HG23 VAL 35 3HG2 VAL 35 4.573 -22.660 -3.621 231 H ARG 36 H ARG 36 0.232 -20.178 -1.394 232 HA ARG 36 HA ARG 36 -1.676 -19.247 -3.317 233 HB2 ARG 36 2HB ARG 36 -1.097 -18.360 -0.483 234 HB3 ARG 36 1HB ARG 36 -2.447 -17.782 -1.450 235 HG2 ARG 36 2HG ARG 36 -3.293 -20.095 -1.593 236 HG3 ARG 36 1HG ARG 36 -1.977 -20.612 -0.535 237 HD2 ARG 36 2HD ARG 36 -4.162 -18.643 0.141 238 HD3 ARG 36 1HD ARG 36 -4.014 -20.292 0.748 239 HE ARG 36 HE ARG 36 -1.682 -18.822 1.359 240 HH11 ARG 36 1HH1 ARG 36 -5.032 -19.110 2.270 241 HH12 ARG 36 2HH1 ARG 36 -4.768 -18.579 3.897 242 HH21 ARG 36 1HH2 ARG 36 -1.325 -18.122 3.501 243 HH22 ARG 36 2HH2 ARG 36 -2.662 -18.016 4.597 244 H ARG 37 H ARG 37 -1.859 -17.257 -4.248 245 HA ARG 37 HA ARG 37 0.614 -15.780 -4.555 246 HB2 ARG 37 2HB ARG 37 -0.979 -16.390 -6.441 247 HB3 ARG 37 1HB ARG 37 -2.063 -15.164 -5.802 248 HG2 ARG 37 2HG ARG 37 -0.330 -13.467 -6.145 249 HG3 ARG 37 1HG ARG 37 0.731 -14.707 -6.823 250 HD2 ARG 37 2HD ARG 37 -1.929 -13.795 -7.912 251 HD3 ARG 37 1HD ARG 37 -0.339 -13.501 -8.615 252 HE ARG 37 HE ARG 37 -1.911 -15.892 -8.830 253 HH11 ARG 37 1HH1 ARG 37 1.311 -14.586 -8.910 254 HH12 ARG 37 2HH1 ARG 37 1.954 -15.883 -9.860 255 HH21 ARG 37 1HH2 ARG 37 -1.079 -17.602 -10.089 256 HH22 ARG 37 2HH2 ARG 37 0.595 -17.595 -10.533 257 H HIS 38 H HIS 38 0.992 -13.678 -3.903 258 HA HIS 38 HA HIS 38 -1.139 -12.258 -2.504 259 HB2 HIS 38 2HB HIS 38 1.538 -12.898 -1.249 260 HB3 HIS 38 1HB HIS 38 0.341 -11.801 -0.571 261 HD1 HIS 38 1HD HIS 38 -2.007 -12.965 0.090 262 HD2 HIS 38 2HD HIS 38 1.213 -15.510 -0.555 263 HE1 HIS 38 1HE HIS 38 -2.659 -15.154 1.142 264 HE2 HIS 38 2HE HIS 38 -0.653 -16.646 0.829 265 H HIS 39 H HIS 39 -0.404 -10.031 -1.849 266 HA HIS 39 HA HIS 39 1.577 -8.955 -3.751 267 HB2 HIS 39 2HB HIS 39 -1.164 -7.825 -3.163 268 HB3 HIS 39 1HB HIS 39 0.078 -6.995 -4.093 269 HD1 HIS 39 1HD HIS 39 -2.370 -9.812 -4.293 270 HD2 HIS 39 2HD HIS 39 0.444 -7.932 -6.704 271 HE1 HIS 39 1HE HIS 39 -2.802 -10.663 -6.620 272 HE2 HIS 39 2HE HIS 39 -1.027 -9.584 -8.045 273 H CYS 40 H CYS 40 2.702 -7.098 -3.115 274 HA CYS 40 HA CYS 40 2.816 -6.648 -0.234 275 HB2 CYS 40 2HB CYS 40 4.950 -6.985 -1.281 276 HB3 CYS 40 1HB CYS 40 4.563 -5.857 -2.575 277 HG CYS 40 HG CYS 40 5.353 -3.988 -1.193 278 H ARG 41 H ARG 41 2.199 -4.762 0.715 279 HA ARG 41 HA ARG 41 0.370 -3.100 -0.687 280 HB2 ARG 41 2HB ARG 41 1.549 -2.823 2.078 281 HB3 ARG 41 1HB ARG 41 0.204 -1.873 1.461 282 HG2 ARG 41 2HG ARG 41 -1.085 -3.950 1.152 283 HG3 ARG 41 1HG ARG 41 0.253 -4.857 1.859 284 HD2 ARG 41 2HD ARG 41 0.016 -3.417 3.901 285 HD3 ARG 41 1HD ARG 41 -1.461 -2.767 3.190 286 HE ARG 41 HE ARG 41 -1.110 -5.353 4.404 287 HH11 ARG 41 1HH1 ARG 41 -3.000 -3.461 2.175 288 HH12 ARG 41 2HH1 ARG 41 -4.408 -4.458 2.321 289 HH21 ARG 41 1HH2 ARG 41 -2.958 -6.674 4.603 290 HH22 ARG 41 2HH2 ARG 41 -4.385 -6.285 3.703 291 H ASN 42 H ASN 42 3.683 -2.976 -0.622 292 HA ASN 42 HA ASN 42 3.805 -0.060 -0.845 293 HB2 ASN 42 2HB ASN 42 5.935 -2.168 -0.471 294 HB3 ASN 42 1HB ASN 42 6.307 -0.479 -0.790 295 HD21 ASN 42 1HD2 ASN 42 6.318 -2.580 1.573 296 HD22 ASN 42 2HD2 ASN 42 5.853 -1.592 2.911 297 H CYS 43 H CYS 43 5.536 -2.708 -2.490 298 HA CYS 43 HA CYS 43 5.792 -1.140 -4.864 299 HB2 CYS 43 2HB CYS 43 6.915 -3.116 -5.801 300 HB3 CYS 43 1HB CYS 43 7.549 -2.697 -4.215 301 HG CYS 43 HG CYS 43 5.997 -4.725 -3.310 302 H GLY 44 H GLY 44 3.516 -3.487 -3.724 303 HA2 GLY 44 2HA GLY 44 1.480 -4.097 -4.619 304 HA3 GLY 44 1HA GLY 44 1.779 -2.972 -5.934 305 H TYR 45 H TYR 45 4.156 -5.379 -5.285 306 HA TYR 45 HA TYR 45 3.448 -6.710 -7.796 307 HB2 TYR 45 2HB TYR 45 6.003 -6.862 -6.185 308 HB3 TYR 45 1HB TYR 45 5.726 -7.626 -7.745 309 HD1 TYR 45 2HD TYR 45 4.357 -5.482 -9.227 310 HD2 TYR 45 1HD TYR 45 7.681 -5.291 -6.579 311 HE1 TYR 45 2HE TYR 45 5.140 -3.448 -10.366 312 HE2 TYR 45 1HE TYR 45 8.472 -3.256 -7.710 313 HH TYR 45 HH TYR 45 6.543 -1.527 -9.945 314 H VAL 46 H VAL 46 3.753 -9.059 -7.901 315 HA VAL 46 HA VAL 46 2.307 -10.270 -5.743 316 HB VAL 46 HB VAL 46 3.470 -11.534 -8.231 317 HG11 VAL 46 1HG1 VAL 46 2.204 -13.487 -7.732 318 HG12 VAL 46 2HG1 VAL 46 1.410 -12.700 -6.369 319 HG13 VAL 46 3HG1 VAL 46 3.128 -13.087 -6.284 320 HG21 VAL 46 1HG2 VAL 46 0.829 -11.630 -8.608 321 HG22 VAL 46 2HG2 VAL 46 1.810 -10.255 -9.115 322 HG23 VAL 46 3HG2 VAL 46 0.907 -10.186 -7.601 323 H LEU 47 H LEU 47 3.076 -11.392 -4.075 324 HA LEU 47 HA LEU 47 5.829 -12.425 -4.192 325 HB2 LEU 47 2HB LEU 47 4.569 -10.851 -1.943 326 HB3 LEU 47 1HB LEU 47 6.019 -11.809 -1.746 327 HG LEU 47 HG LEU 47 6.431 -9.381 -2.005 328 HD11 LEU 47 1HD1 LEU 47 8.361 -10.415 -2.496 329 HD12 LEU 47 2HD1 LEU 47 8.014 -9.808 -4.115 330 HD13 LEU 47 3HD1 LEU 47 7.620 -11.474 -3.694 331 HD21 LEU 47 1HD2 LEU 47 5.805 -8.155 -3.781 332 HD22 LEU 47 2HD2 LEU 47 4.546 -9.383 -3.901 333 HD23 LEU 47 3HD2 LEU 47 5.986 -9.499 -4.911 334 H CYS 48 H CYS 48 6.122 -14.400 -3.239 335 HA CYS 48 HA CYS 48 3.752 -15.897 -2.556 336 HB2 CYS 48 2HB CYS 48 5.120 -17.817 -2.562 337 HB3 CYS 48 1HB CYS 48 5.853 -16.785 -3.786 338 HG CYS 48 HG CYS 48 7.919 -16.673 -2.465 339 H GLY 49 H GLY 49 4.030 -17.368 -0.428 340 HA2 GLY 49 2HA GLY 49 3.730 -15.691 1.750 341 HA3 GLY 49 1HA GLY 49 4.129 -17.398 1.870 342 H ASP 50 H ASP 50 6.597 -17.625 0.944 343 HA ASP 50 HA ASP 50 8.228 -16.794 3.030 344 HB2 ASP 50 2HB ASP 50 8.861 -17.747 0.245 345 HB3 ASP 50 1HB ASP 50 10.125 -17.378 1.413 346 H CYS 51 H CYS 51 7.621 -15.210 -0.029 347 HA CYS 51 HA CYS 51 9.638 -13.192 0.513 348 HB2 CYS 51 2HB CYS 51 7.973 -13.943 -1.824 349 HB3 CYS 51 1HB CYS 51 8.451 -12.252 -1.699 350 HG CYS 51 HG CYS 51 10.710 -12.859 -2.426 351 H SER 52 H SER 52 6.569 -13.720 1.541 352 HA SER 52 HA SER 52 6.115 -10.855 1.969 353 HB2 SER 52 2HB SER 52 3.754 -11.085 1.573 354 HB3 SER 52 1HB SER 52 4.588 -11.775 0.180 355 HG SER 52 HG SER 52 3.968 -13.743 0.757 356 H ARG 53 H ARG 53 7.324 -13.021 3.563 357 HA ARG 53 HA ARG 53 5.404 -13.601 5.639 358 HB2 ARG 53 2HB ARG 53 8.330 -14.223 5.305 359 HB3 ARG 53 1HB ARG 53 7.491 -14.532 6.819 360 HG2 ARG 53 2HG ARG 53 5.864 -15.926 5.467 361 HG3 ARG 53 1HG ARG 53 7.016 -15.784 4.138 362 HD2 ARG 53 2HD ARG 53 8.765 -16.745 5.564 363 HD3 ARG 53 1HD ARG 53 7.590 -16.927 6.864 364 HE ARG 53 HE ARG 53 6.909 -18.232 4.368 365 HH11 ARG 53 1HH1 ARG 53 8.385 -18.517 7.510 366 HH12 ARG 53 2HH1 ARG 53 8.215 -20.239 7.577 367 HH21 ARG 53 1HH2 ARG 53 6.681 -20.501 4.446 368 HH22 ARG 53 2HH2 ARG 53 7.248 -21.368 5.834 369 H HIS 54 H HIS 54 7.673 -11.075 4.959 370 HA HIS 54 HA HIS 54 8.064 -10.322 7.690 371 HB2 HIS 54 2HB HIS 54 8.599 -8.863 5.099 372 HB3 HIS 54 1HB HIS 54 8.997 -8.205 6.678 373 HD1 HIS 54 1HD HIS 54 10.629 -9.945 8.134 374 HD2 HIS 54 2HD HIS 54 10.665 -10.206 3.986 375 HE1 HIS 54 1HE HIS 54 12.771 -11.125 7.552 376 HE2 HIS 54 2HE HIS 54 12.787 -11.250 5.036 377 H ARG 55 H ARG 55 7.453 -8.166 8.493 378 HA ARG 55 HA ARG 55 4.952 -7.140 7.390 379 HB2 ARG 55 2HB ARG 55 5.291 -7.884 10.303 380 HB3 ARG 55 1HB ARG 55 3.882 -7.106 9.588 381 HG2 ARG 55 2HG ARG 55 3.517 -9.085 8.186 382 HG3 ARG 55 1HG ARG 55 4.890 -9.872 8.965 383 HD2 ARG 55 2HD ARG 55 3.687 -9.512 11.158 384 HD3 ARG 55 1HD ARG 55 2.276 -9.046 10.208 385 HE ARG 55 HE ARG 55 3.367 -11.584 9.441 386 HH11 ARG 55 1HH1 ARG 55 1.244 -9.962 11.679 387 HH12 ARG 55 2HH1 ARG 55 0.298 -11.376 12.002 388 HH21 ARG 55 1HH2 ARG 55 2.127 -13.446 9.858 389 HH22 ARG 55 2HH2 ARG 55 0.801 -13.357 10.967 390 H ALA 56 H ALA 56 4.755 -4.982 7.541 391 HA ALA 56 HA ALA 56 6.274 -3.426 9.448 392 HB1 ALA 56 1HB ALA 56 8.061 -3.780 7.929 393 HB2 ALA 56 2HB ALA 56 7.489 -2.130 7.677 394 HB3 ALA 56 3HB ALA 56 7.043 -3.403 6.540 395 H ALA 57 H ALA 57 5.745 -1.175 9.451 396 HA ALA 57 HA ALA 57 3.103 -0.653 8.357 397 HB1 ALA 57 1HB ALA 57 2.846 0.819 10.042 398 HB2 ALA 57 2HB ALA 57 4.460 1.498 9.828 399 HB3 ALA 57 3HB ALA 57 4.245 0.004 10.740 400 H ILE 58 H ILE 58 2.666 1.244 7.053 401 HA ILE 58 HA ILE 58 5.038 2.311 5.687 402 HB ILE 58 HB ILE 58 2.481 1.853 4.205 403 HG12 ILE 58 2HG1 ILE 58 4.674 -0.205 4.548 404 HG13 ILE 58 1HG1 ILE 58 3.079 -0.298 5.286 405 HG21 ILE 58 1HG2 ILE 58 5.360 1.790 3.308 406 HG22 ILE 58 2HG2 ILE 58 4.337 3.227 3.272 407 HG23 ILE 58 3HG2 ILE 58 3.923 1.823 2.289 408 HD11 ILE 58 1HD1 ILE 58 2.894 0.083 2.433 409 HD12 ILE 58 2HD1 ILE 58 2.207 -1.181 3.453 410 HD13 ILE 58 3HD1 ILE 58 3.853 -1.339 2.842 411 HA PRO 59 HA PRO 59 2.389 5.707 7.394 412 HB2 PRO 59 2HB PRO 59 4.514 7.310 8.013 413 HB3 PRO 59 1HB PRO 59 3.838 6.102 9.107 414 HG2 PRO 59 2HG PRO 59 6.226 5.899 7.312 415 HG3 PRO 59 1HG PRO 59 6.037 5.355 8.990 416 HD2 PRO 59 2HD PRO 59 5.873 3.639 6.929 417 HD3 PRO 59 1HD PRO 59 4.859 3.456 8.376 418 H MET 60 H MET 60 4.482 5.395 4.699 419 HA MET 60 HA MET 60 4.072 8.151 3.839 420 HB2 MET 60 2HB MET 60 5.448 5.816 2.490 421 HB3 MET 60 1HB MET 60 5.408 7.465 1.879 422 HG2 MET 60 2HG MET 60 6.718 6.516 4.416 423 HG3 MET 60 1HG MET 60 7.524 7.032 2.935 424 HE1 MET 60 1HE MET 60 7.591 9.582 2.087 425 HE2 MET 60 2HE MET 60 6.610 10.845 2.828 426 HE3 MET 60 3HE MET 60 5.832 9.479 2.030 427 H ARG 61 H ARG 61 3.093 4.880 3.146 428 HA ARG 61 HA ARG 61 1.375 5.642 0.937 429 HB2 ARG 61 2HB ARG 61 1.579 2.982 2.348 430 HB3 ARG 61 1HB ARG 61 0.868 3.288 0.770 431 HG2 ARG 61 2HG ARG 61 3.774 3.627 1.480 432 HG3 ARG 61 1HG ARG 61 3.083 2.273 0.587 433 HD2 ARG 61 2HD ARG 61 2.426 4.903 -0.517 434 HD3 ARG 61 1HD ARG 61 4.151 4.534 -0.513 435 HE ARG 61 HE ARG 61 2.380 2.495 -1.596 436 HH11 ARG 61 1HH1 ARG 61 4.551 5.154 -2.224 437 HH12 ARG 61 2HH1 ARG 61 4.848 4.686 -3.865 438 HH21 ARG 61 1HH2 ARG 61 2.770 1.880 -3.755 439 HH22 ARG 61 2HH2 ARG 61 3.837 2.829 -4.734 440 H GLY 62 H GLY 62 1.146 6.060 4.116 441 HA2 GLY 62 2HA GLY 62 -0.756 6.929 5.216 442 HA3 GLY 62 1HA GLY 62 -1.777 6.117 4.039 443 H ILE 63 H ILE 63 0.607 4.020 5.129 444 HA ILE 63 HA ILE 63 -1.332 2.674 6.852 445 HB ILE 63 HB ILE 63 1.277 1.684 5.682 446 HG12 ILE 63 2HG1 ILE 63 -1.551 1.014 4.852 447 HG13 ILE 63 1HG1 ILE 63 -0.537 2.191 4.025 448 HG21 ILE 63 1HG2 ILE 63 -0.879 0.262 7.223 449 HG22 ILE 63 2HG2 ILE 63 0.822 0.446 7.655 450 HG23 ILE 63 3HG2 ILE 63 0.365 -0.566 6.282 451 HD11 ILE 63 1HD1 ILE 63 0.647 -0.473 4.388 452 HD12 ILE 63 2HD1 ILE 63 0.680 0.612 2.996 453 HD13 ILE 63 3HD1 ILE 63 -0.743 -0.384 3.305 454 H THR 64 H THR 64 -1.165 3.507 8.877 455 HA THR 64 HA THR 64 1.440 4.124 10.001 456 HB THR 64 HB THR 64 0.171 4.962 11.935 457 HG1 THR 64 1HG THR 64 -2.096 4.097 10.469 458 HG21 THR 64 1HG2 THR 64 -0.704 6.868 10.966 459 HG22 THR 64 2HG2 THR 64 -1.247 6.009 9.524 460 HG23 THR 64 3HG2 THR 64 0.474 6.317 9.773 461 H GLU 65 H GLU 65 -0.718 1.483 9.957 462 HA GLU 65 HA GLU 65 0.511 0.320 12.358 463 HB2 GLU 65 2HB GLU 65 -1.729 -0.970 10.841 464 HB3 GLU 65 1HB GLU 65 -1.329 -1.098 12.548 465 HG2 GLU 65 2HG GLU 65 -1.978 1.386 12.668 466 HG3 GLU 65 1HG GLU 65 -2.750 1.104 11.108 467 HA PRO 66 HA PRO 66 3.191 -2.117 9.886 468 HB2 PRO 66 2HB PRO 66 2.665 -4.339 11.790 469 HB3 PRO 66 1HB PRO 66 4.201 -3.605 11.320 470 HG2 PRO 66 2HG PRO 66 3.099 -3.116 13.711 471 HG3 PRO 66 1HG PRO 66 3.986 -1.865 12.823 472 HD2 PRO 66 2HD PRO 66 1.043 -2.214 13.179 473 HD3 PRO 66 1HD PRO 66 2.000 -0.722 13.086 474 H GLU 67 H GLU 67 2.707 -3.019 8.037 475 HA GLU 67 HA GLU 67 0.571 -5.034 7.913 476 HB2 GLU 67 2HB GLU 67 1.188 -2.890 5.870 477 HB3 GLU 67 1HB GLU 67 -0.022 -4.147 5.686 478 HG2 GLU 67 2HG GLU 67 -0.036 -1.975 7.760 479 HG3 GLU 67 1HG GLU 67 -1.037 -2.040 6.313 480 H ARG 68 H ARG 68 0.738 -6.392 5.894 481 HA ARG 68 HA ARG 68 3.307 -7.581 5.785 482 HB2 ARG 68 2HB ARG 68 2.324 -9.118 4.187 483 HB3 ARG 68 1HB ARG 68 1.232 -8.849 5.540 484 HG2 ARG 68 2HG ARG 68 0.046 -7.159 4.091 485 HG3 ARG 68 1HG ARG 68 1.020 -7.756 2.746 486 HD2 ARG 68 2HD ARG 68 0.146 -10.041 3.213 487 HD3 ARG 68 1HD ARG 68 -0.921 -9.338 4.427 488 HE ARG 68 HE ARG 68 -1.487 -7.929 2.175 489 HH11 ARG 68 1HH1 ARG 68 -1.386 -11.323 2.953 490 HH12 ARG 68 2HH1 ARG 68 -2.622 -11.753 1.817 491 HH21 ARG 68 1HH2 ARG 68 -3.118 -8.488 0.673 492 HH22 ARG 68 2HH2 ARG 68 -3.602 -10.144 0.519 493 H VAL 69 H VAL 69 4.897 -7.474 4.361 494 HA VAL 69 HA VAL 69 4.603 -6.070 1.809 495 HB VAL 69 HB VAL 69 6.578 -4.666 2.212 496 HG11 VAL 69 1HG1 VAL 69 4.576 -3.500 2.419 497 HG12 VAL 69 2HG1 VAL 69 5.433 -3.117 3.914 498 HG13 VAL 69 3HG1 VAL 69 4.142 -4.317 3.923 499 HG21 VAL 69 1HG2 VAL 69 7.147 -4.301 4.697 500 HG22 VAL 69 2HG2 VAL 69 7.801 -5.730 3.891 501 HG23 VAL 69 3HG2 VAL 69 6.397 -5.876 4.951 502 H CYS 70 H CYS 70 6.528 -6.349 0.444 503 HA CYS 70 HA CYS 70 7.613 -8.987 0.713 504 HB2 CYS 70 2HB CYS 70 8.386 -8.780 -1.461 505 HB3 CYS 70 1HB CYS 70 7.015 -7.682 -1.475 506 HG CYS 70 HG CYS 70 9.614 -6.865 -2.351 507 H ASP 71 H ASP 71 10.207 -8.762 -0.201 508 HA ASP 71 HA ASP 71 11.476 -7.919 2.250 509 HB2 ASP 71 2HB ASP 71 13.521 -8.925 1.312 510 HB3 ASP 71 1HB ASP 71 12.153 -10.029 1.250 511 H ALA 72 H ALA 72 11.595 -6.793 -1.119 512 HA ALA 72 HA ALA 72 13.694 -4.930 -0.651 513 HB1 ALA 72 1HB ALA 72 12.071 -5.736 -2.863 514 HB2 ALA 72 2HB ALA 72 13.617 -4.889 -2.868 515 HB3 ALA 72 3HB ALA 72 12.112 -3.975 -2.778 516 H CYS 73 H CYS 73 10.173 -4.617 -0.688 517 HA CYS 73 HA CYS 73 10.069 -1.840 -0.245 518 HB2 CYS 73 2HB CYS 73 8.052 -3.965 0.519 519 HB3 CYS 73 1HB CYS 73 7.733 -2.238 0.396 520 HG CYS 73 HG CYS 73 8.120 -2.438 -2.191 521 H TYR 74 H TYR 74 10.127 -4.614 1.944 522 HA TYR 74 HA TYR 74 9.681 -3.254 4.346 523 HB2 TYR 74 2HB TYR 74 9.703 -5.710 4.174 524 HB3 TYR 74 1HB TYR 74 11.430 -5.675 3.834 525 HD1 TYR 74 1HD TYR 74 9.215 -4.126 6.428 526 HD2 TYR 74 2HD TYR 74 12.690 -6.435 5.596 527 HE1 TYR 74 1HE TYR 74 9.684 -4.279 8.838 528 HE2 TYR 74 2HE TYR 74 13.168 -6.593 8.004 529 HH TYR 74 HH TYR 74 11.351 -6.347 10.261 530 H LEU 75 H LEU 75 12.622 -3.811 2.500 531 HA LEU 75 HA LEU 75 14.413 -2.633 4.362 532 HB2 LEU 75 2HB LEU 75 14.522 -3.532 1.540 533 HB3 LEU 75 1HB LEU 75 15.758 -2.418 2.082 534 HG LEU 75 HG LEU 75 15.187 -4.936 3.611 535 HD11 LEU 75 1HD1 LEU 75 17.470 -5.358 2.051 536 HD12 LEU 75 2HD1 LEU 75 16.232 -4.770 0.941 537 HD13 LEU 75 3HD1 LEU 75 15.920 -6.190 1.937 538 HD21 LEU 75 1HD2 LEU 75 17.869 -3.699 3.306 539 HD22 LEU 75 2HD2 LEU 75 17.152 -4.527 4.688 540 HD23 LEU 75 3HD2 LEU 75 16.684 -2.869 4.314 541 H ALA 76 H ALA 76 12.968 -1.346 1.372 542 HA ALA 76 HA ALA 76 14.231 1.127 1.402 543 HB1 ALA 76 1HB ALA 76 11.492 0.423 0.359 544 HB2 ALA 76 2HB ALA 76 13.011 0.373 -0.537 545 HB3 ALA 76 3HB ALA 76 12.353 1.920 -0.002 546 H LEU 77 H LEU 77 11.174 0.189 2.932 547 HA LEU 77 HA LEU 77 10.539 2.764 3.920 548 HB2 LEU 77 2HB LEU 77 9.730 0.015 4.857 549 HB3 LEU 77 1HB LEU 77 9.062 1.497 5.505 550 HG LEU 77 HG LEU 77 8.870 0.694 2.601 551 HD11 LEU 77 1HD1 LEU 77 6.468 0.246 3.177 552 HD12 LEU 77 2HD1 LEU 77 6.941 0.311 4.875 553 HD13 LEU 77 3HD1 LEU 77 7.629 -0.919 3.814 554 HD21 LEU 77 1HD2 LEU 77 7.103 2.422 2.540 555 HD22 LEU 77 2HD2 LEU 77 8.694 3.083 2.923 556 HD23 LEU 77 3HD2 LEU 77 7.503 2.854 4.203 557 H ARG 78 H ARG 78 12.419 0.091 5.202 558 HA ARG 78 HA ARG 78 12.764 1.070 7.823 559 HB2 ARG 78 2HB ARG 78 14.412 -0.822 6.151 560 HB3 ARG 78 1HB ARG 78 14.717 -0.505 7.854 561 HG2 ARG 78 2HG ARG 78 12.632 -1.443 8.487 562 HG3 ARG 78 1HG ARG 78 12.095 -1.537 6.811 563 HD2 ARG 78 2HD ARG 78 12.750 -3.715 7.241 564 HD3 ARG 78 1HD ARG 78 14.186 -3.032 6.488 565 HE ARG 78 HE ARG 78 14.226 -2.798 9.338 566 HH11 ARG 78 1HH1 ARG 78 14.842 -4.949 6.670 567 HH12 ARG 78 2HH1 ARG 78 16.003 -5.898 7.536 568 HH21 ARG 78 1HH2 ARG 78 15.757 -4.042 10.488 569 HH22 ARG 78 2HH2 ARG 78 16.521 -5.386 9.706 570 H SER 79 H SER 79 13.931 2.294 4.910 571 HA SER 79 HA SER 79 16.567 3.024 5.537 572 HB2 SER 79 2HB SER 79 14.600 4.482 3.754 573 HB3 SER 79 1HB SER 79 16.356 4.650 3.727 574 HG SER 79 HG SER 79 14.923 2.257 3.198 575 H SER 80 H SER 80 13.486 4.460 6.363 576 HA SER 80 HA SER 80 14.086 7.025 7.015 577 HB2 SER 80 2HB SER 80 11.860 5.899 7.317 578 HB3 SER 80 1HB SER 80 12.475 5.209 8.819 579 HG SER 80 HG SER 80 11.275 7.419 8.690 580 H ASN 81 H ASN 81 15.244 8.104 8.491 581 HA ASN 81 HA ASN 81 17.013 6.560 10.207 582 HB2 ASN 81 2HB ASN 81 17.805 8.456 8.722 583 HB3 ASN 81 1HB ASN 81 16.984 9.554 9.827 584 HD21 ASN 81 1HD2 ASN 81 19.527 10.035 9.564 585 HD22 ASN 81 2HD2 ASN 81 20.452 9.471 10.909 586 H MET 82 H MET 82 16.890 6.461 12.372 587 HA MET 82 HA MET 82 14.528 7.463 13.662 588 HB2 MET 82 2HB MET 82 16.916 5.954 14.737 589 HB3 MET 82 1HB MET 82 15.488 6.355 15.683 590 HG2 MET 82 2HG MET 82 14.118 5.060 14.088 591 HG3 MET 82 1HG MET 82 15.596 4.587 13.253 592 HE1 MET 82 1HE MET 82 17.603 4.243 15.720 593 HE2 MET 82 2HE MET 82 17.513 3.109 14.372 594 HE3 MET 82 3HE MET 82 17.441 2.514 16.031 595 H ALA 83 H ALA 83 14.310 9.173 14.975 596 HA ALA 83 HA ALA 83 16.215 11.244 14.955 597 HB1 ALA 83 1HB ALA 83 13.614 11.231 15.400 598 HB2 ALA 83 2HB ALA 83 14.653 12.504 16.044 599 HB3 ALA 83 3HB ALA 83 14.140 11.172 17.082 600 H GLY 84 H GLY 84 17.561 12.066 16.561 601 HA2 GLY 84 2HA GLY 84 17.982 11.678 19.106 602 HA3 GLY 84 1HA GLY 84 18.403 10.070 18.538 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -3.651 20.390 -14.953 2 H2 GLY 1 2HT GLY 1 -2.551 19.179 -15.376 3 H3 GLY 1 3HT GLY 1 -2.671 19.688 -13.767 4 HA2 GLY 1 1HA GLY 1 -4.180 17.712 -15.157 5 HA3 GLY 1 2HA GLY 1 -4.066 18.013 -13.430 6 HA PRO 2 HA PRO 2 -7.994 19.998 -15.595 7 HB2 PRO 2 2HB PRO 2 -9.571 17.828 -16.148 8 HB3 PRO 2 1HB PRO 2 -8.546 18.630 -17.344 9 HG2 PRO 2 2HG PRO 2 -8.022 16.147 -15.759 10 HG3 PRO 2 1HG PRO 2 -7.692 16.470 -17.472 11 HD2 PRO 2 2HD PRO 2 -5.755 16.571 -15.608 12 HD3 PRO 2 1HD PRO 2 -5.768 17.673 -17.002 13 H LEU 3 H LEU 3 -9.734 20.451 -14.297 14 HA LEU 3 HA LEU 3 -9.737 19.282 -11.668 15 HB2 LEU 3 2HB LEU 3 -11.495 21.375 -12.939 16 HB3 LEU 3 1HB LEU 3 -11.614 20.882 -11.261 17 HG LEU 3 HG LEU 3 -9.172 21.590 -11.036 18 HD11 LEU 3 1HD1 LEU 3 -8.681 23.475 -12.740 19 HD12 LEU 3 2HD1 LEU 3 -9.823 22.613 -13.770 20 HD13 LEU 3 3HD1 LEU 3 -8.367 21.802 -13.196 21 HD21 LEU 3 1HD2 LEU 3 -11.603 23.027 -10.902 22 HD22 LEU 3 2HD2 LEU 3 -10.384 24.114 -11.565 23 HD23 LEU 3 3HD2 LEU 3 -10.108 23.321 -10.013 24 H GLY 4 H GLY 4 -11.120 18.340 -14.539 25 HA2 GLY 4 2HA GLY 4 -13.684 17.509 -13.518 26 HA3 GLY 4 1HA GLY 4 -13.016 17.127 -15.097 27 H SER 5 H SER 5 -14.263 15.106 -14.200 28 HA SER 5 HA SER 5 -12.967 13.446 -12.314 29 HB2 SER 5 2HB SER 5 -14.487 11.727 -13.016 30 HB3 SER 5 1HB SER 5 -15.367 13.254 -13.044 31 HG SER 5 HG SER 5 -14.475 13.159 -15.400 32 H MET 6 H MET 6 -12.324 14.131 -15.614 33 HA MET 6 HA MET 6 -10.950 11.678 -16.190 34 HB2 MET 6 2HB MET 6 -11.030 14.336 -17.622 35 HB3 MET 6 1HB MET 6 -10.167 12.928 -18.223 36 HG2 MET 6 2HG MET 6 -12.313 11.680 -18.215 37 HG3 MET 6 1HG MET 6 -13.130 13.177 -17.773 38 HE1 MET 6 1HE MET 6 -14.611 12.460 -19.639 39 HE2 MET 6 2HE MET 6 -13.766 11.419 -20.786 40 HE3 MET 6 3HE MET 6 -14.387 12.987 -21.305 41 H GLY 7 H GLY 7 -8.819 11.219 -16.067 42 HA2 GLY 7 2HA GLY 7 -6.508 11.770 -15.945 43 HA3 GLY 7 1HA GLY 7 -6.947 13.353 -15.322 44 H GLU 8 H GLU 8 -8.931 11.666 -13.568 45 HA GLU 8 HA GLU 8 -6.992 11.305 -11.407 46 HB2 GLU 8 2HB GLU 8 -10.004 11.535 -11.348 47 HB3 GLU 8 1HB GLU 8 -8.996 11.280 -9.930 48 HG2 GLU 8 2HG GLU 8 -9.333 13.554 -9.888 49 HG3 GLU 8 1HG GLU 8 -7.775 13.421 -10.701 50 H LYS 9 H LYS 9 -7.771 9.382 -13.700 51 HA LYS 9 HA LYS 9 -8.937 7.123 -12.387 52 HB2 LYS 9 2HB LYS 9 -7.337 7.305 -14.952 53 HB3 LYS 9 1HB LYS 9 -8.200 5.872 -14.406 54 HG2 LYS 9 2HG LYS 9 -10.302 7.207 -14.457 55 HG3 LYS 9 1HG LYS 9 -9.385 8.523 -15.191 56 HD2 LYS 9 2HD LYS 9 -9.655 5.742 -16.333 57 HD3 LYS 9 1HD LYS 9 -10.574 7.154 -16.861 58 HE2 LYS 9 2HE LYS 9 -7.742 7.706 -16.823 59 HE3 LYS 9 1HE LYS 9 -8.098 6.292 -17.814 60 HZ1 LYS 9 1HZ LYS 9 -8.226 8.757 -18.739 61 HZ2 LYS 9 2HZ LYS 9 -9.815 8.615 -18.179 62 HZ3 LYS 9 3HZ LYS 9 -9.222 7.518 -19.320 63 H GLN 10 H GLN 10 -6.055 8.646 -12.056 64 HA GLN 10 HA GLN 10 -4.155 6.594 -11.873 65 HB2 GLN 10 2HB GLN 10 -3.441 8.878 -11.972 66 HB3 GLN 10 1HB GLN 10 -4.391 9.302 -10.554 67 HG2 GLN 10 2HG GLN 10 -2.913 7.803 -9.218 68 HG3 GLN 10 1HG GLN 10 -1.907 7.611 -10.653 69 HE21 GLN 10 1HE2 GLN 10 -0.238 8.915 -10.770 70 HE22 GLN 10 2HE2 GLN 10 -0.097 10.470 -10.032 71 H SER 11 H SER 11 -3.538 5.277 -10.194 72 HA SER 11 HA SER 11 -5.032 5.475 -7.676 73 HB2 SER 11 2HB SER 11 -5.507 3.111 -7.655 74 HB3 SER 11 1HB SER 11 -6.095 3.775 -9.179 75 HG SER 11 HG SER 11 -4.793 1.745 -9.218 76 H LYS 12 H LYS 12 -4.052 4.271 -5.906 77 HA LYS 12 HA LYS 12 -1.127 4.277 -6.139 78 HB2 LYS 12 2HB LYS 12 -2.925 4.409 -3.714 79 HB3 LYS 12 1HB LYS 12 -1.167 4.389 -3.652 80 HG2 LYS 12 2HG LYS 12 -1.129 6.481 -4.952 81 HG3 LYS 12 1HG LYS 12 -2.893 6.506 -4.915 82 HD2 LYS 12 2HD LYS 12 -2.771 6.508 -2.425 83 HD3 LYS 12 1HD LYS 12 -1.020 6.676 -2.556 84 HE2 LYS 12 2HE LYS 12 -2.559 8.783 -2.272 85 HE3 LYS 12 1HE LYS 12 -1.148 8.830 -3.330 86 HZ1 LYS 12 1HZ LYS 12 -2.487 8.612 -5.224 87 HZ2 LYS 12 2HZ LYS 12 -3.299 9.737 -4.258 88 HZ3 LYS 12 3HZ LYS 12 -3.846 8.138 -4.332 89 H GLY 13 H GLY 13 0.124 2.537 -5.435 90 HA2 GLY 13 2HA GLY 13 0.630 0.347 -4.939 91 HA3 GLY 13 1HA GLY 13 -0.948 0.231 -4.175 92 H TYR 14 H TYR 14 0.778 -0.022 -7.232 93 HA TYR 14 HA TYR 14 -1.498 -1.026 -8.659 94 HB2 TYR 14 2HB TYR 14 0.272 0.203 -9.814 95 HB3 TYR 14 1HB TYR 14 1.429 -1.057 -9.402 96 HD1 TYR 14 2HD TYR 14 -1.628 -0.342 -11.369 97 HD2 TYR 14 1HD TYR 14 1.626 -3.006 -10.728 98 HE1 TYR 14 2HE TYR 14 -2.203 -1.534 -13.440 99 HE2 TYR 14 1HE TYR 14 1.060 -4.204 -12.798 100 HH TYR 14 HH TYR 14 -1.092 -2.971 -15.104 101 H TRP 15 H TRP 15 -2.252 -3.011 -8.574 102 HA TRP 15 HA TRP 15 -0.608 -5.159 -7.445 103 HB2 TRP 15 2HB TRP 15 -2.984 -6.350 -7.776 104 HB3 TRP 15 1HB TRP 15 -2.603 -5.369 -6.364 105 HD1 TRP 15 HD TRP 15 -3.849 -3.040 -6.113 106 HE1 TRP 15 1HE TRP 15 -5.900 -2.024 -7.290 107 HE3 TRP 15 3HE TRP 15 -4.196 -6.262 -10.069 108 HZ2 TRP 15 2HZ TRP 15 -7.461 -2.525 -9.589 109 HZ3 TRP 15 3HZ TRP 15 -5.996 -5.924 -11.712 110 HH2 TRP 15 HH TRP 15 -7.594 -4.094 -11.475 111 H GLN 16 H GLN 16 0.425 -6.496 -8.735 112 HA GLN 16 HA GLN 16 -0.220 -6.641 -11.568 113 HB2 GLN 16 2HB GLN 16 2.139 -6.491 -10.777 114 HB3 GLN 16 1HB GLN 16 1.949 -8.049 -9.987 115 HG2 GLN 16 2HG GLN 16 1.563 -9.107 -12.150 116 HG3 GLN 16 1HG GLN 16 1.739 -7.544 -12.948 117 HE21 GLN 16 1HE2 GLN 16 3.317 -9.518 -13.781 118 HE22 GLN 16 2HE2 GLN 16 4.945 -9.284 -13.254 119 H GLU 17 H GLU 17 -1.345 -8.139 -12.514 120 HA GLU 17 HA GLU 17 -2.925 -9.944 -11.164 121 HB2 GLU 17 2HB GLU 17 -2.052 -9.959 -14.049 122 HB3 GLU 17 1HB GLU 17 -3.308 -11.006 -13.402 123 HG2 GLU 17 2HG GLU 17 -3.361 -7.998 -13.401 124 HG3 GLU 17 1HG GLU 17 -4.240 -9.049 -14.510 125 H ASP 18 H ASP 18 -3.017 -12.206 -11.135 126 HA ASP 18 HA ASP 18 -0.730 -13.563 -10.246 127 HB2 ASP 18 2HB ASP 18 -3.345 -14.584 -11.346 128 HB3 ASP 18 1HB ASP 18 -2.129 -15.612 -10.593 129 H GLU 19 H GLU 19 -2.289 -13.520 -13.428 130 HA GLU 19 HA GLU 19 -0.620 -15.469 -14.599 131 HB2 GLU 19 2HB GLU 19 -2.318 -13.292 -15.812 132 HB3 GLU 19 1HB GLU 19 -1.461 -14.489 -16.774 133 HG2 GLU 19 2HG GLU 19 -3.593 -15.047 -14.724 134 HG3 GLU 19 1HG GLU 19 -3.781 -15.109 -16.477 135 H ASP 20 H ASP 20 -0.443 -11.936 -14.564 136 HA ASP 20 HA ASP 20 1.776 -11.769 -16.307 137 HB2 ASP 20 2HB ASP 20 0.738 -9.832 -14.228 138 HB3 ASP 20 1HB ASP 20 2.016 -9.450 -15.378 139 H ALA 21 H ALA 21 1.431 -12.233 -12.885 140 HA ALA 21 HA ALA 21 4.366 -12.287 -12.588 141 HB1 ALA 21 1HB ALA 21 2.517 -12.201 -10.243 142 HB2 ALA 21 2HB ALA 21 2.849 -10.728 -11.154 143 HB3 ALA 21 3HB ALA 21 4.172 -11.611 -10.390 144 HA PRO 22 HA PRO 22 2.952 -16.700 -12.261 145 HB2 PRO 22 2HB PRO 22 4.842 -17.730 -13.893 146 HB3 PRO 22 1HB PRO 22 3.337 -17.040 -14.510 147 HG2 PRO 22 2HG PRO 22 6.055 -15.803 -14.338 148 HG3 PRO 22 1HG PRO 22 4.892 -15.758 -15.677 149 HD2 PRO 22 2HD PRO 22 5.201 -13.706 -13.921 150 HD3 PRO 22 1HD PRO 22 3.652 -14.075 -14.707 151 H ALA 23 H ALA 23 5.828 -14.935 -11.717 152 HA ALA 23 HA ALA 23 6.731 -16.952 -9.783 153 HB1 ALA 23 1HB ALA 23 9.002 -15.554 -10.826 154 HB2 ALA 23 2HB ALA 23 8.112 -16.297 -12.156 155 HB3 ALA 23 3HB ALA 23 8.678 -17.287 -10.810 156 H CYS 24 H CYS 24 7.969 -16.047 -8.007 157 HA CYS 24 HA CYS 24 6.858 -13.694 -7.011 158 HB2 CYS 24 2HB CYS 24 7.967 -15.661 -5.773 159 HB3 CYS 24 1HB CYS 24 9.480 -14.801 -6.049 160 HG CYS 24 HG CYS 24 8.748 -12.975 -4.468 161 H ASN 25 H ASN 25 7.275 -11.663 -7.334 162 HA ASN 25 HA ASN 25 9.211 -10.701 -9.116 163 HB2 ASN 25 2HB ASN 25 7.469 -9.372 -7.052 164 HB3 ASN 25 1HB ASN 25 8.590 -8.448 -8.047 165 HD21 ASN 25 1HD2 ASN 25 5.620 -10.180 -7.933 166 HD22 ASN 25 2HD2 ASN 25 5.091 -9.806 -9.535 167 H GLY 26 H GLY 26 9.307 -11.294 -5.683 168 HA2 GLY 26 2HA GLY 26 11.654 -9.662 -5.270 169 HA3 GLY 26 1HA GLY 26 10.850 -10.656 -4.075 170 H CYS 27 H CYS 27 11.056 -13.181 -4.897 171 HA CYS 27 HA CYS 27 13.967 -13.534 -5.059 172 HB2 CYS 27 2HB CYS 27 13.692 -15.618 -3.907 173 HB3 CYS 27 1HB CYS 27 12.781 -14.388 -3.038 174 HG CYS 27 HG CYS 27 11.502 -16.769 -3.482 175 H GLY 28 H GLY 28 11.412 -13.709 -7.140 176 HA2 GLY 28 2HA GLY 28 11.277 -14.587 -9.254 177 HA3 GLY 28 1HA GLY 28 12.928 -15.147 -9.059 178 H CYS 29 H CYS 29 10.961 -16.329 -6.568 179 HA CYS 29 HA CYS 29 11.184 -18.995 -7.579 180 HB2 CYS 29 2HB CYS 29 10.206 -19.729 -5.555 181 HB3 CYS 29 1HB CYS 29 11.179 -18.329 -5.120 182 HG CYS 29 HG CYS 29 8.103 -18.036 -5.454 183 H VAL 30 H VAL 30 9.583 -20.371 -8.336 184 HA VAL 30 HA VAL 30 7.452 -19.032 -9.735 185 HB VAL 30 HB VAL 30 7.552 -21.990 -9.678 186 HG11 VAL 30 1HG1 VAL 30 6.958 -19.826 -11.647 187 HG12 VAL 30 2HG1 VAL 30 5.950 -21.179 -11.132 188 HG13 VAL 30 3HG1 VAL 30 7.321 -21.458 -12.207 189 HG21 VAL 30 1HG2 VAL 30 9.763 -20.249 -10.674 190 HG22 VAL 30 2HG2 VAL 30 9.361 -21.731 -11.542 191 HG23 VAL 30 3HG2 VAL 30 9.845 -21.803 -9.847 192 H PHE 31 H PHE 31 5.299 -19.179 -9.411 193 HA PHE 31 HA PHE 31 4.419 -20.079 -6.801 194 HB2 PHE 31 2HB PHE 31 2.929 -18.720 -9.052 195 HB3 PHE 31 1HB PHE 31 2.222 -19.122 -7.492 196 HD1 PHE 31 1HD PHE 31 3.400 -18.141 -5.412 197 HD2 PHE 31 2HD PHE 31 3.931 -16.671 -9.368 198 HE1 PHE 31 1HE PHE 31 4.157 -15.984 -4.506 199 HE2 PHE 31 2HE PHE 31 4.693 -14.513 -8.469 200 HZ PHE 31 HZ PHE 31 4.806 -14.168 -6.035 201 H THR 32 H THR 32 3.226 -21.790 -6.367 202 HA THR 32 HA THR 32 2.298 -23.480 -8.593 203 HB THR 32 HB THR 32 3.004 -25.454 -7.406 204 HG1 THR 32 1HG THR 32 3.871 -23.705 -5.348 205 HG21 THR 32 1HG2 THR 32 5.480 -24.101 -6.824 206 HG22 THR 32 2HG2 THR 32 4.821 -23.601 -8.381 207 HG23 THR 32 3HG2 THR 32 5.117 -25.310 -8.056 208 H THR 33 H THR 33 0.656 -25.117 -7.849 209 HA THR 33 HA THR 33 -1.637 -23.966 -6.896 210 HB THR 33 HB THR 33 -0.822 -26.847 -6.465 211 HG1 THR 33 1HG THR 33 -1.550 -27.215 -8.492 212 HG21 THR 33 1HG2 THR 33 -3.543 -26.576 -7.163 213 HG22 THR 33 2HG2 THR 33 -3.224 -25.482 -5.817 214 HG23 THR 33 3HG2 THR 33 -2.848 -27.198 -5.666 215 H THR 34 H THR 34 0.883 -25.574 -4.982 216 HA THR 34 HA THR 34 -0.526 -25.315 -2.531 217 HB THR 34 HB THR 34 2.443 -25.710 -2.975 218 HG1 THR 34 1HG THR 34 1.831 -27.579 -3.661 219 HG21 THR 34 1HG2 THR 34 1.348 -27.004 -0.655 220 HG22 THR 34 2HG2 THR 34 1.105 -25.259 -0.582 221 HG23 THR 34 3HG2 THR 34 2.728 -25.914 -0.795 222 H VAL 35 H VAL 35 1.792 -23.246 -4.226 223 HA VAL 35 HA VAL 35 1.889 -21.442 -1.941 224 HB VAL 35 HB VAL 35 3.223 -21.221 -4.637 225 HG11 VAL 35 1HG1 VAL 35 3.520 -19.543 -2.150 226 HG12 VAL 35 2HG1 VAL 35 2.844 -19.029 -3.696 227 HG13 VAL 35 3HG1 VAL 35 4.555 -19.436 -3.574 228 HG21 VAL 35 1HG2 VAL 35 3.913 -22.636 -2.205 229 HG22 VAL 35 2HG2 VAL 35 5.155 -21.472 -2.670 230 HG23 VAL 35 3HG2 VAL 35 4.648 -22.720 -3.808 231 H ARG 36 H ARG 36 0.358 -20.075 -1.672 232 HA ARG 36 HA ARG 36 -1.394 -19.200 -3.781 233 HB2 ARG 36 2HB ARG 36 -1.194 -18.337 -0.890 234 HB3 ARG 36 1HB ARG 36 -2.494 -17.905 -1.993 235 HG2 ARG 36 2HG ARG 36 -1.802 -20.733 -1.244 236 HG3 ARG 36 1HG ARG 36 -3.028 -19.764 -0.423 237 HD2 ARG 36 2HD ARG 36 -4.203 -19.489 -2.576 238 HD3 ARG 36 1HD ARG 36 -3.005 -20.535 -3.339 239 HE ARG 36 HE ARG 36 -4.076 -22.347 -2.445 240 HH11 ARG 36 1HH1 ARG 36 -5.136 -19.472 -0.788 241 HH12 ARG 36 2HH1 ARG 36 -6.376 -20.287 0.108 242 HH21 ARG 36 1HH2 ARG 36 -5.712 -23.432 -1.278 243 HH22 ARG 36 2HH2 ARG 36 -6.702 -22.540 -0.172 244 H ARG 37 H ARG 37 -1.678 -17.072 -4.501 245 HA ARG 37 HA ARG 37 0.789 -15.519 -4.479 246 HB2 ARG 37 2HB ARG 37 -1.688 -15.456 -6.168 247 HB3 ARG 37 1HB ARG 37 -0.601 -14.077 -6.138 248 HG2 ARG 37 2HG ARG 37 1.228 -15.464 -6.908 249 HG3 ARG 37 1HG ARG 37 0.185 -16.886 -6.886 250 HD2 ARG 37 2HD ARG 37 -1.291 -15.738 -8.539 251 HD3 ARG 37 1HD ARG 37 -0.100 -14.440 -8.628 252 HE ARG 37 HE ARG 37 1.253 -15.799 -9.896 253 HH11 ARG 37 1HH1 ARG 37 -1.340 -17.674 -8.517 254 HH12 ARG 37 2HH1 ARG 37 -0.981 -19.092 -9.445 255 HH21 ARG 37 1HH2 ARG 37 1.736 -17.658 -11.121 256 HH22 ARG 37 2HH2 ARG 37 0.770 -19.083 -10.929 257 H HIS 38 H HIS 38 0.973 -13.472 -3.731 258 HA HIS 38 HA HIS 38 -1.349 -12.235 -2.462 259 HB2 HIS 38 2HB HIS 38 1.301 -12.636 -1.051 260 HB3 HIS 38 1HB HIS 38 -0.080 -11.741 -0.420 261 HD1 HIS 38 1HD HIS 38 -2.303 -13.255 -0.025 262 HD2 HIS 38 2HD HIS 38 1.297 -15.289 -0.445 263 HE1 HIS 38 1HE HIS 38 -2.724 -15.563 0.884 264 HE2 HIS 38 2HE HIS 38 -0.519 -16.761 0.662 265 H HIS 39 H HIS 39 -0.783 -9.942 -1.757 266 HA HIS 39 HA HIS 39 1.130 -8.800 -3.687 267 HB2 HIS 39 2HB HIS 39 -1.553 -7.678 -2.856 268 HB3 HIS 39 1HB HIS 39 -0.410 -6.889 -3.939 269 HD1 HIS 39 1HD HIS 39 -2.896 -9.676 -3.795 270 HD2 HIS 39 2HD HIS 39 -0.316 -7.929 -6.543 271 HE1 HIS 39 1HE HIS 39 -3.562 -10.612 -6.030 272 HE2 HIS 39 2HE HIS 39 -1.905 -9.637 -7.657 273 H CYS 40 H CYS 40 2.362 -7.050 -3.037 274 HA CYS 40 HA CYS 40 2.552 -6.627 -0.155 275 HB2 CYS 40 2HB CYS 40 4.646 -7.081 -1.247 276 HB3 CYS 40 1HB CYS 40 4.308 -5.906 -2.513 277 HG CYS 40 HG CYS 40 5.174 -4.096 -1.088 278 H ARG 41 H ARG 41 2.065 -4.693 0.800 279 HA ARG 41 HA ARG 41 0.294 -2.970 -0.595 280 HB2 ARG 41 2HB ARG 41 1.518 -2.742 2.155 281 HB3 ARG 41 1HB ARG 41 0.250 -1.688 1.543 282 HG2 ARG 41 2HG ARG 41 0.016 -4.674 1.828 283 HG3 ARG 41 1HG ARG 41 -0.601 -3.492 2.985 284 HD2 ARG 41 2HD ARG 41 -1.413 -3.714 0.088 285 HD3 ARG 41 1HD ARG 41 -2.354 -4.293 1.462 286 HE ARG 41 HE ARG 41 -2.258 -1.642 0.476 287 HH11 ARG 41 1HH1 ARG 41 -2.425 -3.457 3.447 288 HH12 ARG 41 2HH1 ARG 41 -3.239 -2.200 4.317 289 HH21 ARG 41 1HH2 ARG 41 -3.340 0.012 1.613 290 HH22 ARG 41 2HH2 ARG 41 -3.769 -0.233 3.273 291 H ASN 42 H ASN 42 3.594 -3.034 -0.611 292 HA ASN 42 HA ASN 42 3.880 -0.133 -0.867 293 HB2 ASN 42 2HB ASN 42 5.885 -2.351 -0.469 294 HB3 ASN 42 1HB ASN 42 6.359 -0.701 -0.847 295 HD21 ASN 42 1HD2 ASN 42 6.326 -2.690 1.590 296 HD22 ASN 42 2HD2 ASN 42 5.902 -1.643 2.895 297 H CYS 43 H CYS 43 5.499 -2.861 -2.505 298 HA CYS 43 HA CYS 43 5.721 -1.311 -4.898 299 HB2 CYS 43 2HB CYS 43 6.855 -3.257 -5.837 300 HB3 CYS 43 1HB CYS 43 7.479 -2.885 -4.235 301 HG CYS 43 HG CYS 43 5.924 -4.935 -3.397 302 H GLY 44 H GLY 44 3.456 -3.637 -3.695 303 HA2 GLY 44 2HA GLY 44 1.403 -4.240 -4.546 304 HA3 GLY 44 1HA GLY 44 1.680 -3.129 -5.878 305 H TYR 45 H TYR 45 4.037 -5.565 -5.225 306 HA TYR 45 HA TYR 45 3.294 -6.922 -7.716 307 HB2 TYR 45 2HB TYR 45 5.851 -7.089 -6.107 308 HB3 TYR 45 1HB TYR 45 5.555 -7.897 -7.640 309 HD1 TYR 45 2HD TYR 45 4.296 -5.800 -9.240 310 HD2 TYR 45 1HD TYR 45 7.535 -5.552 -6.497 311 HE1 TYR 45 2HE TYR 45 5.157 -3.837 -10.445 312 HE2 TYR 45 1HE TYR 45 8.407 -3.587 -7.692 313 HH TYR 45 HH TYR 45 7.657 -2.765 -10.673 314 H VAL 46 H VAL 46 3.606 -9.282 -7.766 315 HA VAL 46 HA VAL 46 2.174 -10.434 -5.547 316 HB VAL 46 HB VAL 46 3.246 -11.830 -8.005 317 HG11 VAL 46 1HG1 VAL 46 2.841 -13.328 -6.090 318 HG12 VAL 46 2HG1 VAL 46 1.723 -13.628 -7.423 319 HG13 VAL 46 3HG1 VAL 46 1.182 -12.738 -6.000 320 HG21 VAL 46 1HG2 VAL 46 0.521 -10.685 -7.398 321 HG22 VAL 46 2HG2 VAL 46 0.886 -11.724 -8.775 322 HG23 VAL 46 3HG2 VAL 46 1.649 -10.140 -8.639 323 H LEU 47 H LEU 47 2.975 -11.555 -3.891 324 HA LEU 47 HA LEU 47 5.736 -12.571 -4.069 325 HB2 LEU 47 2HB LEU 47 4.492 -11.119 -1.725 326 HB3 LEU 47 1HB LEU 47 6.003 -11.995 -1.652 327 HG LEU 47 HG LEU 47 6.205 -9.513 -1.797 328 HD11 LEU 47 1HD1 LEU 47 8.169 -10.605 -2.287 329 HD12 LEU 47 2HD1 LEU 47 7.908 -9.639 -3.740 330 HD13 LEU 47 3HD1 LEU 47 7.514 -11.356 -3.737 331 HD21 LEU 47 1HD2 LEU 47 4.336 -9.624 -3.738 332 HD22 LEU 47 2HD2 LEU 47 5.811 -9.528 -4.702 333 HD23 LEU 47 3HD2 LEU 47 5.455 -8.282 -3.506 334 H CYS 48 H CYS 48 6.035 -14.582 -3.201 335 HA CYS 48 HA CYS 48 3.708 -16.106 -2.502 336 HB2 CYS 48 2HB CYS 48 5.184 -17.990 -2.342 337 HB3 CYS 48 1HB CYS 48 5.739 -17.026 -3.706 338 HG CYS 48 HG CYS 48 7.870 -16.554 -2.543 339 H GLY 49 H GLY 49 3.955 -17.536 -0.353 340 HA2 GLY 49 2HA GLY 49 3.585 -15.845 1.793 341 HA3 GLY 49 1HA GLY 49 4.022 -17.541 1.944 342 H ASP 50 H ASP 50 6.522 -17.724 1.076 343 HA ASP 50 HA ASP 50 8.083 -16.818 3.187 344 HB2 ASP 50 2HB ASP 50 8.804 -17.826 0.449 345 HB3 ASP 50 1HB ASP 50 10.034 -17.374 1.624 346 H CYS 51 H CYS 51 7.516 -15.333 0.083 347 HA CYS 51 HA CYS 51 9.494 -13.272 0.573 348 HB2 CYS 51 2HB CYS 51 7.812 -14.098 -1.724 349 HB3 CYS 51 1HB CYS 51 8.266 -12.398 -1.643 350 HG CYS 51 HG CYS 51 10.411 -13.065 -2.590 351 H SER 52 H SER 52 6.433 -13.828 1.612 352 HA SER 52 HA SER 52 5.945 -10.970 2.026 353 HB2 SER 52 2HB SER 52 3.587 -11.236 1.629 354 HB3 SER 52 1HB SER 52 4.430 -11.928 0.243 355 HG SER 52 HG SER 52 2.853 -13.368 0.883 356 H ARG 53 H ARG 53 7.182 -13.156 3.608 357 HA ARG 53 HA ARG 53 5.285 -13.732 5.715 358 HB2 ARG 53 2HB ARG 53 8.225 -14.330 5.401 359 HB3 ARG 53 1HB ARG 53 7.343 -14.695 6.874 360 HG2 ARG 53 2HG ARG 53 5.806 -16.112 5.515 361 HG3 ARG 53 1HG ARG 53 6.870 -15.838 4.137 362 HD2 ARG 53 2HD ARG 53 7.511 -17.917 5.069 363 HD3 ARG 53 1HD ARG 53 8.748 -16.753 5.538 364 HE ARG 53 HE ARG 53 8.100 -16.976 7.741 365 HH11 ARG 53 1HH1 ARG 53 5.807 -18.571 5.665 366 HH12 ARG 53 2HH1 ARG 53 5.013 -19.398 6.963 367 HH21 ARG 53 1HH2 ARG 53 7.064 -18.064 9.456 368 HH22 ARG 53 2HH2 ARG 53 5.724 -19.109 9.116 369 H HIS 54 H HIS 54 7.463 -11.183 4.951 370 HA HIS 54 HA HIS 54 7.962 -10.418 7.671 371 HB2 HIS 54 2HB HIS 54 8.440 -9.002 5.048 372 HB3 HIS 54 1HB HIS 54 8.893 -8.330 6.606 373 HD1 HIS 54 1HD HIS 54 10.936 -9.348 7.786 374 HD2 HIS 54 2HD HIS 54 10.050 -11.102 4.128 375 HE1 HIS 54 1HE HIS 54 12.945 -10.743 7.208 376 HE2 HIS 54 2HE HIS 54 12.436 -11.691 4.929 377 H ARG 55 H ARG 55 7.439 -8.179 8.395 378 HA ARG 55 HA ARG 55 4.909 -7.151 7.374 379 HB2 ARG 55 2HB ARG 55 5.337 -7.839 10.287 380 HB3 ARG 55 1HB ARG 55 3.915 -7.065 9.604 381 HG2 ARG 55 2HG ARG 55 3.505 -9.094 8.251 382 HG3 ARG 55 1HG ARG 55 4.865 -9.871 9.066 383 HD2 ARG 55 2HD ARG 55 3.729 -9.489 11.229 384 HD3 ARG 55 1HD ARG 55 2.350 -8.822 10.358 385 HE ARG 55 HE ARG 55 2.932 -11.408 9.395 386 HH11 ARG 55 1HH1 ARG 55 1.626 -9.754 12.166 387 HH12 ARG 55 2HH1 ARG 55 0.616 -11.076 12.649 388 HH21 ARG 55 1HH2 ARG 55 1.598 -13.167 10.024 389 HH22 ARG 55 2HH2 ARG 55 0.604 -13.015 11.434 390 H ALA 56 H ALA 56 4.793 -4.997 7.455 391 HA ALA 56 HA ALA 56 6.374 -3.436 9.311 392 HB1 ALA 56 1HB ALA 56 7.290 -3.880 6.562 393 HB2 ALA 56 2HB ALA 56 8.184 -3.372 7.994 394 HB3 ALA 56 3HB ALA 56 7.257 -2.191 7.071 395 H ALA 57 H ALA 57 5.856 -1.175 9.317 396 HA ALA 57 HA ALA 57 3.207 -0.645 8.239 397 HB1 ALA 57 1HB ALA 57 3.523 1.515 9.588 398 HB2 ALA 57 2HB ALA 57 4.960 0.737 10.252 399 HB3 ALA 57 3HB ALA 57 3.373 0.007 10.490 400 H ILE 58 H ILE 58 2.793 1.303 6.993 401 HA ILE 58 HA ILE 58 5.161 2.366 5.621 402 HB ILE 58 HB ILE 58 2.600 1.881 4.149 403 HG12 ILE 58 2HG1 ILE 58 4.841 -0.135 4.426 404 HG13 ILE 58 1HG1 ILE 58 3.289 -0.257 5.247 405 HG21 ILE 58 1HG2 ILE 58 4.311 3.289 3.137 406 HG22 ILE 58 2HG2 ILE 58 4.109 1.791 2.231 407 HG23 ILE 58 3HG2 ILE 58 5.492 1.993 3.305 408 HD11 ILE 58 1HD1 ILE 58 2.278 -1.061 3.438 409 HD12 ILE 58 2HD1 ILE 58 3.908 -1.364 2.837 410 HD13 ILE 58 3HD1 ILE 58 3.053 0.105 2.369 411 HA PRO 59 HA PRO 59 2.534 5.769 7.295 412 HB2 PRO 59 2HB PRO 59 4.636 7.392 7.907 413 HB3 PRO 59 1HB PRO 59 3.986 6.167 8.997 414 HG2 PRO 59 2HG PRO 59 6.388 6.037 7.224 415 HG3 PRO 59 1HG PRO 59 6.176 5.439 8.880 416 HD2 PRO 59 2HD PRO 59 6.064 3.812 6.711 417 HD3 PRO 59 1HD PRO 59 5.126 3.509 8.186 418 H MET 60 H MET 60 4.586 5.451 4.577 419 HA MET 60 HA MET 60 4.141 8.198 3.696 420 HB2 MET 60 2HB MET 60 5.536 5.852 2.389 421 HB3 MET 60 1HB MET 60 5.386 7.445 1.664 422 HG2 MET 60 2HG MET 60 6.618 8.370 3.623 423 HG3 MET 60 1HG MET 60 6.892 6.713 4.160 424 HE1 MET 60 1HE MET 60 8.504 9.488 1.524 425 HE2 MET 60 2HE MET 60 6.876 8.919 1.155 426 HE3 MET 60 3HE MET 60 8.236 8.408 0.155 427 H ARG 61 H ARG 61 3.161 4.919 3.095 428 HA ARG 61 HA ARG 61 1.376 5.616 0.919 429 HB2 ARG 61 2HB ARG 61 1.635 2.997 2.395 430 HB3 ARG 61 1HB ARG 61 0.885 3.259 0.827 431 HG2 ARG 61 2HG ARG 61 3.806 3.681 1.422 432 HG3 ARG 61 1HG ARG 61 3.124 2.231 0.686 433 HD2 ARG 61 2HD ARG 61 2.798 4.989 -0.471 434 HD3 ARG 61 1HD ARG 61 4.129 3.915 -0.895 435 HE ARG 61 HE ARG 61 1.471 2.812 -1.231 436 HH11 ARG 61 1HH1 ARG 61 4.167 4.462 -2.703 437 HH12 ARG 61 2HH1 ARG 61 3.729 4.005 -4.316 438 HH21 ARG 61 1HH2 ARG 61 0.893 2.208 -3.351 439 HH22 ARG 61 2HH2 ARG 61 1.872 2.726 -4.684 440 H GLY 62 H GLY 62 1.210 6.149 4.088 441 HA2 GLY 62 2HA GLY 62 -0.681 6.996 5.219 442 HA3 GLY 62 1HA GLY 62 -1.713 6.142 4.082 443 H ILE 63 H ILE 63 0.669 4.061 5.079 444 HA ILE 63 HA ILE 63 -1.170 2.721 6.895 445 HB ILE 63 HB ILE 63 1.415 1.794 5.629 446 HG12 ILE 63 2HG1 ILE 63 -1.414 0.991 4.947 447 HG13 ILE 63 1HG1 ILE 63 -0.535 2.255 4.092 448 HG21 ILE 63 1HG2 ILE 63 0.536 -0.490 6.267 449 HG22 ILE 63 2HG2 ILE 63 -0.591 0.347 7.334 450 HG23 ILE 63 3HG2 ILE 63 1.147 0.509 7.585 451 HD11 ILE 63 1HD1 ILE 63 0.412 -0.588 4.320 452 HD12 ILE 63 2HD1 ILE 63 1.074 0.690 3.298 453 HD13 ILE 63 3HD1 ILE 63 -0.531 0.040 2.967 454 H THR 64 H THR 64 -0.965 3.719 8.864 455 HA THR 64 HA THR 64 1.651 4.340 9.942 456 HB THR 64 HB THR 64 0.409 5.224 11.876 457 HG1 THR 64 1HG THR 64 -1.365 3.609 11.515 458 HG21 THR 64 1HG2 THR 64 0.649 6.498 9.633 459 HG22 THR 64 2HG2 THR 64 -0.445 7.108 10.877 460 HG23 THR 64 3HG2 THR 64 -1.086 6.216 9.497 461 H GLU 65 H GLU 65 -0.518 1.708 10.017 462 HA GLU 65 HA GLU 65 0.806 0.602 12.398 463 HB2 GLU 65 2HB GLU 65 -1.621 -0.517 10.988 464 HB3 GLU 65 1HB GLU 65 -1.011 -0.954 12.577 465 HG2 GLU 65 2HG GLU 65 -1.492 1.813 12.642 466 HG3 GLU 65 1HG GLU 65 -2.884 1.073 11.852 467 HA PRO 66 HA PRO 66 3.309 -2.003 9.942 468 HB2 PRO 66 2HB PRO 66 3.212 -4.335 11.465 469 HB3 PRO 66 1HB PRO 66 4.308 -2.981 11.749 470 HG2 PRO 66 2HG PRO 66 1.723 -3.640 13.090 471 HG3 PRO 66 1HG PRO 66 3.208 -2.963 13.782 472 HD2 PRO 66 2HD PRO 66 1.057 -1.428 13.271 473 HD3 PRO 66 1HD PRO 66 2.712 -0.815 13.070 474 H GLU 67 H GLU 67 2.766 -2.899 8.099 475 HA GLU 67 HA GLU 67 0.563 -4.845 8.034 476 HB2 GLU 67 2HB GLU 67 1.201 -2.714 5.984 477 HB3 GLU 67 1HB GLU 67 -0.038 -3.947 5.805 478 HG2 GLU 67 2HG GLU 67 0.014 -1.848 7.957 479 HG3 GLU 67 1HG GLU 67 -0.953 -1.773 6.485 480 H ARG 68 H ARG 68 0.638 -6.206 5.997 481 HA ARG 68 HA ARG 68 3.179 -7.468 5.856 482 HB2 ARG 68 2HB ARG 68 2.108 -9.007 4.296 483 HB3 ARG 68 1HB ARG 68 1.108 -8.728 5.716 484 HG2 ARG 68 2HG ARG 68 -0.170 -7.045 4.363 485 HG3 ARG 68 1HG ARG 68 0.725 -7.613 2.952 486 HD2 ARG 68 2HD ARG 68 -0.103 -9.906 3.423 487 HD3 ARG 68 1HD ARG 68 -1.085 -9.243 4.728 488 HE ARG 68 HE ARG 68 -1.855 -7.777 2.599 489 HH11 ARG 68 1HH1 ARG 68 -1.544 -11.198 3.136 490 HH12 ARG 68 2HH1 ARG 68 -2.819 -11.618 2.041 491 HH21 ARG 68 1HH2 ARG 68 -3.535 -8.314 1.157 492 HH22 ARG 68 2HH2 ARG 68 -3.952 -9.976 0.916 493 H VAL 69 H VAL 69 4.698 -7.475 4.376 494 HA VAL 69 HA VAL 69 4.370 -6.133 1.804 495 HB VAL 69 HB VAL 69 6.447 -4.866 2.059 496 HG11 VAL 69 1HG1 VAL 69 4.172 -4.307 3.924 497 HG12 VAL 69 2HG1 VAL 69 4.540 -3.569 2.364 498 HG13 VAL 69 3HG1 VAL 69 5.535 -3.199 3.774 499 HG21 VAL 69 1HG2 VAL 69 6.368 -6.018 4.822 500 HG22 VAL 69 2HG2 VAL 69 7.182 -4.486 4.502 501 HG23 VAL 69 3HG2 VAL 69 7.709 -5.954 3.677 502 H CYS 70 H CYS 70 6.676 -6.300 0.687 503 HA CYS 70 HA CYS 70 7.410 -9.117 0.854 504 HB2 CYS 70 2HB CYS 70 8.171 -8.975 -1.333 505 HB3 CYS 70 1HB CYS 70 6.852 -7.814 -1.343 506 HG CYS 70 HG CYS 70 8.787 -6.629 -2.478 507 H ASP 71 H ASP 71 10.047 -8.873 -0.193 508 HA ASP 71 HA ASP 71 11.382 -8.124 2.269 509 HB2 ASP 71 2HB ASP 71 12.411 -9.395 -0.271 510 HB3 ASP 71 1HB ASP 71 13.425 -9.043 1.126 511 H ALA 72 H ALA 72 11.504 -7.020 -1.118 512 HA ALA 72 HA ALA 72 13.563 -5.132 -0.661 513 HB1 ALA 72 1HB ALA 72 13.231 -4.406 -2.834 514 HB2 ALA 72 2HB ALA 72 11.501 -4.751 -2.794 515 HB3 ALA 72 3HB ALA 72 12.664 -6.074 -2.894 516 H CYS 73 H CYS 73 10.038 -4.802 -0.686 517 HA CYS 73 HA CYS 73 9.974 -2.022 -0.251 518 HB2 CYS 73 2HB CYS 73 7.894 -4.057 0.583 519 HB3 CYS 73 1HB CYS 73 7.643 -2.334 0.309 520 HG CYS 73 HG CYS 73 8.558 -3.276 -2.265 521 H TYR 74 H TYR 74 9.997 -4.787 1.953 522 HA TYR 74 HA TYR 74 9.568 -3.414 4.346 523 HB2 TYR 74 2HB TYR 74 9.626 -5.878 4.197 524 HB3 TYR 74 1HB TYR 74 11.354 -5.813 3.861 525 HD1 TYR 74 2HD TYR 74 8.777 -5.286 6.445 526 HD2 TYR 74 1HD TYR 74 12.944 -5.489 5.617 527 HE1 TYR 74 2HE TYR 74 9.247 -5.371 8.857 528 HE2 TYR 74 1HE TYR 74 13.428 -5.570 8.025 529 HH TYR 74 HH TYR 74 12.265 -6.221 10.112 530 H LEU 75 H LEU 75 12.472 -3.964 2.460 531 HA LEU 75 HA LEU 75 14.274 -2.723 4.278 532 HB2 LEU 75 2HB LEU 75 14.379 -3.675 1.461 533 HB3 LEU 75 1HB LEU 75 15.637 -2.590 2.017 534 HG LEU 75 HG LEU 75 14.972 -5.135 3.476 535 HD11 LEU 75 1HD1 LEU 75 15.676 -6.226 1.651 536 HD12 LEU 75 2HD1 LEU 75 17.279 -5.674 2.138 537 HD13 LEU 75 3HD1 LEU 75 16.365 -4.772 0.928 538 HD21 LEU 75 1HD2 LEU 75 16.852 -4.749 4.699 539 HD22 LEU 75 2HD2 LEU 75 16.425 -3.080 4.326 540 HD23 LEU 75 3HD2 LEU 75 17.667 -3.903 3.383 541 H ALA 76 H ALA 76 12.935 -1.606 1.158 542 HA ALA 76 HA ALA 76 14.114 0.860 1.050 543 HB1 ALA 76 1HB ALA 76 12.917 0.756 -0.835 544 HB2 ALA 76 2HB ALA 76 11.559 1.367 0.111 545 HB3 ALA 76 3HB ALA 76 11.763 -0.369 -0.121 546 H LEU 77 H LEU 77 11.067 0.040 2.685 547 HA LEU 77 HA LEU 77 10.651 2.644 3.732 548 HB2 LEU 77 2HB LEU 77 9.690 -0.056 4.699 549 HB3 LEU 77 1HB LEU 77 9.138 1.475 5.351 550 HG LEU 77 HG LEU 77 8.815 0.722 2.450 551 HD11 LEU 77 1HD1 LEU 77 7.584 -0.920 3.595 552 HD12 LEU 77 2HD1 LEU 77 6.412 0.317 3.138 553 HD13 LEU 77 3HD1 LEU 77 7.006 0.235 4.796 554 HD21 LEU 77 1HD2 LEU 77 7.132 2.488 2.460 555 HD22 LEU 77 2HD2 LEU 77 8.702 3.117 2.959 556 HD23 LEU 77 3HD2 LEU 77 7.456 2.800 4.167 557 H ARG 78 H ARG 78 12.188 -0.286 4.882 558 HA ARG 78 HA ARG 78 12.881 0.391 7.462 559 HB2 ARG 78 2HB ARG 78 13.176 -1.838 6.373 560 HB3 ARG 78 1HB ARG 78 14.552 -1.193 5.498 561 HG2 ARG 78 2HG ARG 78 15.551 -0.677 7.774 562 HG3 ARG 78 1HG ARG 78 14.278 -1.707 8.429 563 HD2 ARG 78 2HD ARG 78 15.046 -3.535 6.946 564 HD3 ARG 78 1HD ARG 78 16.371 -2.502 6.408 565 HE ARG 78 HE ARG 78 16.257 -4.001 8.818 566 HH11 ARG 78 1HH1 ARG 78 17.435 -1.029 7.440 567 HH12 ARG 78 2HH1 ARG 78 18.730 -0.860 8.576 568 HH21 ARG 78 1HH2 ARG 78 17.959 -3.790 10.328 569 HH22 ARG 78 2HH2 ARG 78 19.029 -2.431 10.221 570 H SER 79 H SER 79 14.100 1.696 4.502 571 HA SER 79 HA SER 79 16.682 2.440 5.294 572 HB2 SER 79 2HB SER 79 16.616 4.026 3.479 573 HB3 SER 79 1HB SER 79 15.769 2.568 2.961 574 HG SER 79 HG SER 79 13.802 3.647 3.474 575 H SER 80 H SER 80 13.544 3.831 5.966 576 HA SER 80 HA SER 80 14.382 6.360 6.872 577 HB2 SER 80 2HB SER 80 12.014 5.760 6.382 578 HB3 SER 80 1HB SER 80 11.997 4.758 7.833 579 HG SER 80 HG SER 80 11.185 6.724 8.421 580 H ASN 81 H ASN 81 14.220 3.218 8.419 581 HA ASN 81 HA ASN 81 15.007 4.357 10.987 582 HB2 ASN 81 2HB ASN 81 13.237 2.556 10.802 583 HB3 ASN 81 1HB ASN 81 14.529 1.444 10.354 584 HD21 ASN 81 1HD2 ASN 81 13.929 0.250 12.240 585 HD22 ASN 81 2HD2 ASN 81 14.504 0.742 13.794 586 H MET 82 H MET 82 17.060 4.531 11.544 587 HA MET 82 HA MET 82 19.111 3.184 9.990 588 HB2 MET 82 2HB MET 82 19.290 5.202 12.234 589 HB3 MET 82 1HB MET 82 20.671 4.571 11.347 590 HG2 MET 82 2HG MET 82 19.678 5.491 9.264 591 HG3 MET 82 1HG MET 82 18.419 6.234 10.248 592 HE1 MET 82 1HE MET 82 19.011 7.360 12.373 593 HE2 MET 82 2HE MET 82 19.790 8.924 12.134 594 HE3 MET 82 3HE MET 82 20.681 7.601 12.886 595 H ALA 83 H ALA 83 20.325 1.507 10.666 596 HA ALA 83 HA ALA 83 19.492 -0.072 12.841 597 HB1 ALA 83 1HB ALA 83 21.275 -0.332 10.671 598 HB2 ALA 83 2HB ALA 83 20.705 -1.589 11.769 599 HB3 ALA 83 3HB ALA 83 22.187 -0.704 12.132 600 H GLY 84 H GLY 84 20.350 -0.402 14.882 601 HA2 GLY 84 2HA GLY 84 22.236 1.686 15.785 602 HA3 GLY 84 1HA GLY 84 20.964 1.008 16.788 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -15.621 2.633 -18.513 2 H2 GLY 1 2HT GLY 1 -13.964 2.937 -18.362 3 H3 GLY 1 3HT GLY 1 -15.058 4.226 -18.423 4 HA2 GLY 1 1HA GLY 1 -16.035 2.882 -16.338 5 HA3 GLY 1 2HA GLY 1 -14.323 2.513 -16.200 6 HA PRO 2 HA PRO 2 -15.092 6.473 -13.907 7 HB2 PRO 2 2HB PRO 2 -13.084 5.939 -12.095 8 HB3 PRO 2 1HB PRO 2 -14.779 5.493 -11.870 9 HG2 PRO 2 2HG PRO 2 -12.491 3.825 -12.829 10 HG3 PRO 2 1HG PRO 2 -13.812 3.392 -11.727 11 HD2 PRO 2 2HD PRO 2 -13.812 2.619 -14.301 12 HD3 PRO 2 1HD PRO 2 -15.315 3.058 -13.461 13 H LEU 3 H LEU 3 -13.856 8.338 -13.933 14 HA LEU 3 HA LEU 3 -11.681 8.347 -15.830 15 HB2 LEU 3 2HB LEU 3 -12.801 10.640 -14.219 16 HB3 LEU 3 1HB LEU 3 -11.772 10.761 -15.635 17 HG LEU 3 HG LEU 3 -14.630 9.797 -15.550 18 HD11 LEU 3 1HD1 LEU 3 -13.874 12.321 -15.535 19 HD12 LEU 3 2HD1 LEU 3 -15.229 11.773 -16.522 20 HD13 LEU 3 3HD1 LEU 3 -13.645 12.021 -17.258 21 HD21 LEU 3 1HD2 LEU 3 -12.881 10.031 -17.990 22 HD22 LEU 3 2HD2 LEU 3 -14.503 9.345 -17.872 23 HD23 LEU 3 3HD2 LEU 3 -13.137 8.512 -17.128 24 H GLY 4 H GLY 4 -9.545 8.759 -15.433 25 HA2 GLY 4 2HA GLY 4 -8.637 8.277 -12.729 26 HA3 GLY 4 1HA GLY 4 -7.627 8.426 -14.159 27 H SER 5 H SER 5 -6.461 9.615 -12.260 28 HA SER 5 HA SER 5 -7.365 12.230 -11.601 29 HB2 SER 5 2HB SER 5 -5.290 12.503 -10.476 30 HB3 SER 5 1HB SER 5 -5.702 10.798 -10.292 31 HG SER 5 HG SER 5 -4.362 10.781 -12.446 32 H MET 6 H MET 6 -6.309 14.241 -12.207 33 HA MET 6 HA MET 6 -6.159 14.594 -14.980 34 HB2 MET 6 2HB MET 6 -5.182 16.353 -12.729 35 HB3 MET 6 1HB MET 6 -5.237 16.857 -14.411 36 HG2 MET 6 2HG MET 6 -7.582 16.069 -12.701 37 HG3 MET 6 1HG MET 6 -7.154 17.698 -13.218 38 HE1 MET 6 1HE MET 6 -6.418 17.976 -15.616 39 HE2 MET 6 2HE MET 6 -7.953 18.342 -16.402 40 HE3 MET 6 3HE MET 6 -6.959 17.007 -16.987 41 H GLY 7 H GLY 7 -3.625 14.123 -12.569 42 HA2 GLY 7 2HA GLY 7 -1.546 14.473 -14.585 43 HA3 GLY 7 1HA GLY 7 -1.295 14.192 -12.868 44 H GLU 8 H GLU 8 0.320 12.807 -14.398 45 HA GLU 8 HA GLU 8 -0.870 10.213 -14.989 46 HB2 GLU 8 2HB GLU 8 0.772 11.292 -16.554 47 HB3 GLU 8 1HB GLU 8 2.012 11.064 -15.328 48 HG2 GLU 8 2HG GLU 8 1.624 8.633 -15.428 49 HG3 GLU 8 1HG GLU 8 0.443 8.897 -16.708 50 H LYS 9 H LYS 9 -0.316 11.439 -12.215 51 HA LYS 9 HA LYS 9 1.622 9.721 -11.009 52 HB2 LYS 9 2HB LYS 9 -0.628 11.335 -9.779 53 HB3 LYS 9 1HB LYS 9 0.632 10.517 -8.865 54 HG2 LYS 9 2HG LYS 9 2.316 11.922 -10.021 55 HG3 LYS 9 1HG LYS 9 0.994 12.793 -10.800 56 HD2 LYS 9 2HD LYS 9 0.131 13.411 -8.569 57 HD3 LYS 9 1HD LYS 9 1.517 12.603 -7.833 58 HE2 LYS 9 2HE LYS 9 2.063 14.901 -7.908 59 HE3 LYS 9 1HE LYS 9 2.979 14.137 -9.207 60 HZ1 LYS 9 1HZ LYS 9 1.700 16.318 -9.662 61 HZ2 LYS 9 2HZ LYS 9 0.343 15.316 -9.772 62 HZ3 LYS 9 3HZ LYS 9 1.654 15.081 -10.814 63 H GLN 10 H GLN 10 -1.275 9.087 -12.374 64 HA GLN 10 HA GLN 10 -2.543 7.354 -10.546 65 HB2 GLN 10 2HB GLN 10 -3.814 8.246 -12.345 66 HB3 GLN 10 1HB GLN 10 -2.656 7.678 -13.543 67 HG2 GLN 10 2HG GLN 10 -3.285 5.341 -12.896 68 HG3 GLN 10 1HG GLN 10 -4.575 6.031 -11.911 69 HE21 GLN 10 1HE2 GLN 10 -6.421 5.672 -12.929 70 HE22 GLN 10 2HE2 GLN 10 -6.728 5.965 -14.603 71 H SER 11 H SER 11 -1.573 5.615 -9.743 72 HA SER 11 HA SER 11 -1.120 3.264 -10.947 73 HB2 SER 11 2HB SER 11 0.471 4.038 -12.510 74 HB3 SER 11 1HB SER 11 1.296 5.032 -11.309 75 HG SER 11 HG SER 11 2.452 3.116 -11.778 76 H LYS 12 H LYS 12 -1.776 4.307 -8.430 77 HA LYS 12 HA LYS 12 0.434 3.575 -6.665 78 HB2 LYS 12 2HB LYS 12 -0.931 5.646 -6.263 79 HB3 LYS 12 1HB LYS 12 -2.307 4.606 -5.919 80 HG2 LYS 12 2HG LYS 12 -1.028 3.586 -4.070 81 HG3 LYS 12 1HG LYS 12 0.281 4.726 -4.387 82 HD2 LYS 12 2HD LYS 12 -1.384 6.576 -4.036 83 HD3 LYS 12 1HD LYS 12 -2.526 5.350 -3.485 84 HE2 LYS 12 2HE LYS 12 -1.669 5.652 -1.451 85 HE3 LYS 12 1HE LYS 12 -0.238 4.805 -2.038 86 HZ1 LYS 12 1HZ LYS 12 -0.012 7.139 -0.971 87 HZ2 LYS 12 2HZ LYS 12 -0.495 7.698 -2.493 88 HZ3 LYS 12 3HZ LYS 12 0.903 6.758 -2.342 89 H GLY 13 H GLY 13 0.604 1.582 -5.871 90 HA2 GLY 13 2HA GLY 13 0.039 -0.506 -5.100 91 HA3 GLY 13 1HA GLY 13 -1.583 0.115 -4.838 92 H TYR 14 H TYR 14 0.369 -0.410 -7.780 93 HA TYR 14 HA TYR 14 -1.917 -1.418 -9.184 94 HB2 TYR 14 2HB TYR 14 -0.139 -0.151 -10.326 95 HB3 TYR 14 1HB TYR 14 0.993 -1.460 -10.000 96 HD1 TYR 14 2HD TYR 14 -2.077 -0.553 -11.855 97 HD2 TYR 14 1HD TYR 14 1.062 -3.386 -11.385 98 HE1 TYR 14 2HE TYR 14 -2.764 -1.652 -13.946 99 HE2 TYR 14 1HE TYR 14 0.384 -4.492 -13.473 100 HH TYR 14 HH TYR 14 -1.395 -4.688 -14.958 101 H TRP 15 H TRP 15 -2.652 -3.418 -9.107 102 HA TRP 15 HA TRP 15 -1.065 -5.532 -7.897 103 HB2 TRP 15 2HB TRP 15 -3.104 -6.848 -7.942 104 HB3 TRP 15 1HB TRP 15 -3.449 -5.250 -7.290 105 HD1 TRP 15 HD TRP 15 -4.282 -7.544 -10.187 106 HE1 TRP 15 1HE TRP 15 -6.165 -6.490 -11.589 107 HE3 TRP 15 3HE TRP 15 -4.421 -2.914 -8.018 108 HZ2 TRP 15 2HZ TRP 15 -7.527 -4.025 -11.757 109 HZ3 TRP 15 3HZ TRP 15 -6.045 -1.267 -8.861 110 HH2 TRP 15 HH TRP 15 -7.564 -1.812 -10.690 111 H GLN 16 H GLN 16 0.211 -6.804 -9.062 112 HA GLN 16 HA GLN 16 -0.121 -7.006 -11.945 113 HB2 GLN 16 2HB GLN 16 2.137 -6.738 -10.882 114 HB3 GLN 16 1HB GLN 16 1.930 -8.320 -10.146 115 HG2 GLN 16 2HG GLN 16 1.846 -9.357 -12.338 116 HG3 GLN 16 1HG GLN 16 1.989 -7.776 -13.107 117 HE21 GLN 16 1HE2 GLN 16 3.785 -9.610 -13.817 118 HE22 GLN 16 2HE2 GLN 16 5.332 -9.279 -13.122 119 H GLU 17 H GLU 17 -1.142 -8.545 -12.941 120 HA GLU 17 HA GLU 17 -2.697 -10.422 -11.639 121 HB2 GLU 17 2HB GLU 17 -1.788 -10.346 -14.510 122 HB3 GLU 17 1HB GLU 17 -3.026 -11.435 -13.900 123 HG2 GLU 17 2HG GLU 17 -3.143 -8.430 -13.856 124 HG3 GLU 17 1HG GLU 17 -4.000 -9.487 -14.975 125 H ASP 18 H ASP 18 -2.694 -12.685 -11.654 126 HA ASP 18 HA ASP 18 -0.355 -13.968 -10.767 127 HB2 ASP 18 2HB ASP 18 -1.662 -16.041 -11.050 128 HB3 ASP 18 1HB ASP 18 -2.557 -14.787 -10.197 129 H GLU 19 H GLU 19 -1.932 -13.981 -13.937 130 HA GLU 19 HA GLU 19 -0.208 -15.863 -15.131 131 HB2 GLU 19 2HB GLU 19 -1.953 -13.718 -16.333 132 HB3 GLU 19 1HB GLU 19 -1.085 -14.909 -17.289 133 HG2 GLU 19 2HG GLU 19 -2.315 -16.700 -16.150 134 HG3 GLU 19 1HG GLU 19 -3.200 -15.487 -15.226 135 H ASP 20 H ASP 20 -0.113 -12.324 -15.028 136 HA ASP 20 HA ASP 20 2.159 -12.116 -16.739 137 HB2 ASP 20 2HB ASP 20 0.966 -10.156 -14.766 138 HB3 ASP 20 1HB ASP 20 2.270 -9.767 -15.885 139 H ALA 21 H ALA 21 1.633 -12.549 -13.345 140 HA ALA 21 HA ALA 21 4.546 -12.524 -12.878 141 HB1 ALA 21 1HB ALA 21 4.229 -11.267 -11.069 142 HB2 ALA 21 2HB ALA 21 3.027 -12.393 -10.439 143 HB3 ALA 21 3HB ALA 21 2.537 -11.104 -11.538 144 HA PRO 22 HA PRO 22 3.013 -16.881 -12.297 145 HB2 PRO 22 2HB PRO 22 4.846 -18.069 -13.859 146 HB3 PRO 22 1HB PRO 22 3.390 -17.329 -14.529 147 HG2 PRO 22 2HG PRO 22 6.164 -16.213 -14.370 148 HG3 PRO 22 1HG PRO 22 5.038 -16.207 -15.741 149 HD2 PRO 22 2HD PRO 22 5.381 -14.062 -14.111 150 HD3 PRO 22 1HD PRO 22 3.836 -14.427 -14.906 151 H ALA 23 H ALA 23 5.826 -15.110 -11.717 152 HA ALA 23 HA ALA 23 6.723 -17.101 -9.758 153 HB1 ALA 23 1HB ALA 23 8.193 -16.240 -12.094 154 HB2 ALA 23 2HB ALA 23 8.568 -17.515 -10.934 155 HB3 ALA 23 3HB ALA 23 9.063 -15.855 -10.609 156 H CYS 24 H CYS 24 7.995 -16.162 -8.003 157 HA CYS 24 HA CYS 24 6.860 -13.802 -7.012 158 HB2 CYS 24 2HB CYS 24 7.965 -15.745 -5.745 159 HB3 CYS 24 1HB CYS 24 9.486 -14.915 -6.057 160 HG CYS 24 HG CYS 24 7.774 -12.915 -4.785 161 H ASN 25 H ASN 25 7.293 -11.768 -7.343 162 HA ASN 25 HA ASN 25 9.251 -10.847 -9.143 163 HB2 ASN 25 2HB ASN 25 7.567 -9.387 -7.104 164 HB3 ASN 25 1HB ASN 25 8.578 -8.581 -8.299 165 HD21 ASN 25 1HD2 ASN 25 8.203 -9.794 -10.572 166 HD22 ASN 25 2HD2 ASN 25 6.542 -9.817 -11.048 167 H GLY 26 H GLY 26 9.330 -11.412 -5.709 168 HA2 GLY 26 2HA GLY 26 11.635 -9.723 -5.283 169 HA3 GLY 26 1HA GLY 26 10.845 -10.735 -4.091 170 H CYS 27 H CYS 27 11.116 -13.254 -4.891 171 HA CYS 27 HA CYS 27 14.033 -13.543 -5.052 172 HB2 CYS 27 2HB CYS 27 13.769 -15.680 -3.941 173 HB3 CYS 27 1HB CYS 27 12.940 -14.425 -3.024 174 HG CYS 27 HG CYS 27 11.304 -16.373 -3.103 175 H GLY 28 H GLY 28 11.465 -13.805 -7.110 176 HA2 GLY 28 2HA GLY 28 11.415 -14.641 -9.255 177 HA3 GLY 28 1HA GLY 28 13.034 -15.269 -9.002 178 H CYS 29 H CYS 29 11.170 -16.415 -6.503 179 HA CYS 29 HA CYS 29 11.195 -19.066 -7.525 180 HB2 CYS 29 2HB CYS 29 10.288 -19.747 -5.473 181 HB3 CYS 29 1HB CYS 29 11.243 -18.328 -5.060 182 HG CYS 29 HG CYS 29 8.229 -18.600 -4.766 183 H VAL 30 H VAL 30 9.511 -20.350 -8.291 184 HA VAL 30 HA VAL 30 7.408 -18.844 -9.579 185 HB VAL 30 HB VAL 30 8.188 -20.415 -11.040 186 HG11 VAL 30 1HG1 VAL 30 8.246 -22.353 -8.739 187 HG12 VAL 30 2HG1 VAL 30 9.612 -21.716 -9.653 188 HG13 VAL 30 3HG1 VAL 30 8.487 -22.839 -10.416 189 HG21 VAL 30 1HG2 VAL 30 5.943 -21.984 -9.812 190 HG22 VAL 30 2HG2 VAL 30 6.387 -21.855 -11.514 191 HG23 VAL 30 3HG2 VAL 30 5.681 -20.469 -10.678 192 H PHE 31 H PHE 31 5.250 -19.018 -9.329 193 HA PHE 31 HA PHE 31 4.331 -19.927 -6.735 194 HB2 PHE 31 2HB PHE 31 2.877 -18.536 -8.997 195 HB3 PHE 31 1HB PHE 31 2.161 -18.917 -7.433 196 HD1 PHE 31 1HD PHE 31 3.199 -17.904 -5.362 197 HD2 PHE 31 2HD PHE 31 4.115 -16.581 -9.302 198 HE1 PHE 31 1HE PHE 31 4.063 -15.790 -4.449 199 HE2 PHE 31 2HE PHE 31 4.982 -14.464 -8.394 200 HZ PHE 31 HZ PHE 31 4.960 -14.070 -5.963 201 H THR 32 H THR 32 3.128 -21.639 -6.315 202 HA THR 32 HA THR 32 2.187 -23.297 -8.557 203 HB THR 32 HB THR 32 2.859 -25.298 -7.418 204 HG1 THR 32 1HG THR 32 3.977 -25.115 -5.389 205 HG21 THR 32 1HG2 THR 32 4.713 -23.490 -8.358 206 HG22 THR 32 2HG2 THR 32 4.993 -25.194 -7.999 207 HG23 THR 32 3HG2 THR 32 5.347 -23.967 -6.783 208 H THR 33 H THR 33 0.559 -24.970 -7.799 209 HA THR 33 HA THR 33 -1.739 -23.783 -6.867 210 HB THR 33 HB THR 33 -0.993 -26.685 -6.486 211 HG1 THR 33 1HG THR 33 -1.499 -26.988 -8.539 212 HG21 THR 33 1HG2 THR 33 -3.209 -25.539 -5.532 213 HG22 THR 33 2HG2 THR 33 -3.161 -27.188 -6.157 214 HG23 THR 33 3HG2 THR 33 -3.737 -25.873 -7.181 215 H THR 34 H THR 34 0.668 -25.558 -4.919 216 HA THR 34 HA THR 34 -0.794 -25.318 -2.518 217 HB THR 34 HB THR 34 2.206 -25.604 -2.820 218 HG1 THR 34 1HG THR 34 1.831 -27.572 -3.400 219 HG21 THR 34 1HG2 THR 34 1.848 -26.968 -0.670 220 HG22 THR 34 2HG2 THR 34 0.348 -26.052 -0.526 221 HG23 THR 34 3HG2 THR 34 1.895 -25.208 -0.562 222 H VAL 35 H VAL 35 1.566 -23.208 -4.085 223 HA VAL 35 HA VAL 35 1.560 -21.394 -1.819 224 HB VAL 35 HB VAL 35 2.863 -21.122 -4.523 225 HG11 VAL 35 1HG1 VAL 35 4.220 -19.363 -3.261 226 HG12 VAL 35 2HG1 VAL 35 2.916 -19.390 -2.075 227 HG13 VAL 35 3HG1 VAL 35 2.580 -18.934 -3.744 228 HG21 VAL 35 1HG2 VAL 35 4.801 -21.314 -2.533 229 HG22 VAL 35 2HG2 VAL 35 4.377 -22.542 -3.727 230 HG23 VAL 35 3HG2 VAL 35 3.612 -22.556 -2.138 231 H ARG 36 H ARG 36 -0.056 -20.105 -1.544 232 HA ARG 36 HA ARG 36 -1.861 -19.288 -3.620 233 HB2 ARG 36 2HB ARG 36 -1.567 -18.323 -0.767 234 HB3 ARG 36 1HB ARG 36 -2.904 -17.932 -1.841 235 HG2 ARG 36 2HG ARG 36 -2.178 -20.716 -0.955 236 HG3 ARG 36 1HG ARG 36 -3.433 -19.717 -0.220 237 HD2 ARG 36 2HD ARG 36 -3.370 -20.549 -3.118 238 HD3 ARG 36 1HD ARG 36 -4.310 -21.355 -1.862 239 HE ARG 36 HE ARG 36 -4.959 -18.910 -3.197 240 HH11 ARG 36 1HH1 ARG 36 -5.319 -20.696 -0.233 241 HH12 ARG 36 2HH1 ARG 36 -6.787 -19.900 0.224 242 HH21 ARG 36 1HH2 ARG 36 -6.894 -17.849 -2.608 243 HH22 ARG 36 2HH2 ARG 36 -7.685 -18.279 -1.128 244 H ARG 37 H ARG 37 -2.175 -17.206 -4.430 245 HA ARG 37 HA ARG 37 0.270 -15.695 -4.726 246 HB2 ARG 37 2HB ARG 37 -1.244 -16.105 -6.641 247 HB3 ARG 37 1HB ARG 37 -2.483 -15.143 -5.847 248 HG2 ARG 37 2HG ARG 37 -1.036 -13.180 -5.955 249 HG3 ARG 37 1HG ARG 37 0.214 -14.149 -6.738 250 HD2 ARG 37 2HD ARG 37 -1.011 -12.870 -8.389 251 HD3 ARG 37 1HD ARG 37 -1.312 -14.595 -8.604 252 HE ARG 37 HE ARG 37 -3.411 -14.018 -7.180 253 HH11 ARG 37 1HH1 ARG 37 -1.975 -12.020 -9.656 254 HH12 ARG 37 2HH1 ARG 37 -3.475 -11.280 -10.098 255 HH21 ARG 37 1HH2 ARG 37 -5.378 -13.055 -7.769 256 HH22 ARG 37 2HH2 ARG 37 -5.407 -11.866 -9.027 257 H HIS 38 H HIS 38 0.694 -13.660 -3.986 258 HA HIS 38 HA HIS 38 -1.344 -12.295 -2.404 259 HB2 HIS 38 2HB HIS 38 1.401 -13.012 -1.361 260 HB3 HIS 38 1HB HIS 38 0.277 -11.922 -0.559 261 HD1 HIS 38 1HD HIS 38 -2.186 -13.182 -0.091 262 HD2 HIS 38 2HD HIS 38 1.224 -15.532 -0.421 263 HE1 HIS 38 1HE HIS 38 -2.764 -15.363 1.018 264 HE2 HIS 38 2HE HIS 38 -0.655 -16.736 0.886 265 H HIS 39 H HIS 39 -0.606 -10.079 -1.759 266 HA HIS 39 HA HIS 39 1.310 -8.965 -3.703 267 HB2 HIS 39 2HB HIS 39 -1.379 -7.780 -2.985 268 HB3 HIS 39 1HB HIS 39 -0.183 -7.041 -4.043 269 HD1 HIS 39 1HD HIS 39 0.354 -8.497 -6.288 270 HD2 HIS 39 2HD HIS 39 -3.169 -9.372 -4.261 271 HE1 HIS 39 1HE HIS 39 -1.076 -9.751 -7.935 272 HE2 HIS 39 2HE HIS 39 -3.174 -10.329 -6.665 273 H CYS 40 H CYS 40 2.450 -7.125 -3.063 274 HA CYS 40 HA CYS 40 2.594 -6.687 -0.176 275 HB2 CYS 40 2HB CYS 40 4.718 -7.060 -1.272 276 HB3 CYS 40 1HB CYS 40 4.351 -5.855 -2.502 277 HG CYS 40 HG CYS 40 5.087 -4.048 -0.986 278 H ARG 41 H ARG 41 1.974 -4.792 0.763 279 HA ARG 41 HA ARG 41 0.160 -3.152 -0.670 280 HB2 ARG 41 2HB ARG 41 1.300 -2.856 2.107 281 HB3 ARG 41 1HB ARG 41 -0.030 -1.901 1.466 282 HG2 ARG 41 2HG ARG 41 -1.274 -4.046 1.097 283 HG3 ARG 41 1HG ARG 41 0.016 -4.864 1.983 284 HD2 ARG 41 2HD ARG 41 -1.709 -4.439 3.548 285 HD3 ARG 41 1HD ARG 41 -0.433 -3.268 3.880 286 HE ARG 41 HE ARG 41 -1.836 -1.569 3.189 287 HH11 ARG 41 1HH1 ARG 41 -3.259 -4.668 2.471 288 HH12 ARG 41 2HH1 ARG 41 -4.816 -4.009 2.092 289 HH21 ARG 41 1HH2 ARG 41 -3.886 -0.694 2.691 290 HH22 ARG 41 2HH2 ARG 41 -5.172 -1.754 2.218 291 H ASN 42 H ASN 42 3.480 -3.001 -0.627 292 HA ASN 42 HA ASN 42 3.542 -0.081 -0.876 293 HB2 ASN 42 2HB ASN 42 5.556 -2.136 -0.141 294 HB3 ASN 42 1HB ASN 42 6.140 -0.734 -1.023 295 HD21 ASN 42 1HD2 ASN 42 5.327 -1.973 1.954 296 HD22 ASN 42 2HD2 ASN 42 5.333 -0.509 2.867 297 H CYS 43 H CYS 43 5.347 -2.708 -2.477 298 HA CYS 43 HA CYS 43 5.598 -1.166 -4.861 299 HB2 CYS 43 2HB CYS 43 6.756 -3.129 -5.770 300 HB3 CYS 43 1HB CYS 43 7.357 -2.706 -4.173 301 HG CYS 43 HG CYS 43 5.299 -4.867 -3.916 302 H GLY 44 H GLY 44 3.330 -3.524 -3.735 303 HA2 GLY 44 2HA GLY 44 1.307 -4.150 -4.646 304 HA3 GLY 44 1HA GLY 44 1.610 -3.035 -5.969 305 H TYR 45 H TYR 45 3.990 -5.426 -5.254 306 HA TYR 45 HA TYR 45 3.347 -6.788 -7.768 307 HB2 TYR 45 2HB TYR 45 5.857 -6.891 -6.085 308 HB3 TYR 45 1HB TYR 45 5.628 -7.710 -7.622 309 HD1 TYR 45 2HD TYR 45 4.337 -5.645 -9.255 310 HD2 TYR 45 1HD TYR 45 7.517 -5.312 -6.448 311 HE1 TYR 45 2HE TYR 45 5.172 -3.662 -10.445 312 HE2 TYR 45 1HE TYR 45 8.360 -3.328 -7.630 313 HH TYR 45 HH TYR 45 8.113 -2.482 -10.211 314 H VAL 46 H VAL 46 3.688 -9.135 -7.834 315 HA VAL 46 HA VAL 46 2.211 -10.348 -5.688 316 HB VAL 46 HB VAL 46 3.406 -11.626 -8.154 317 HG11 VAL 46 1HG1 VAL 46 3.072 -13.193 -6.259 318 HG12 VAL 46 2HG1 VAL 46 2.050 -13.553 -7.653 319 HG13 VAL 46 3HG1 VAL 46 1.366 -12.748 -6.239 320 HG21 VAL 46 1HG2 VAL 46 0.927 -10.154 -7.629 321 HG22 VAL 46 2HG2 VAL 46 0.694 -11.708 -8.429 322 HG23 VAL 46 3HG2 VAL 46 1.745 -10.493 -9.154 323 H LEU 47 H LEU 47 2.977 -11.472 -4.017 324 HA LEU 47 HA LEU 47 5.748 -12.450 -4.117 325 HB2 LEU 47 2HB LEU 47 4.443 -10.893 -1.884 326 HB3 LEU 47 1HB LEU 47 5.912 -11.820 -1.673 327 HG LEU 47 HG LEU 47 6.307 -9.405 -1.944 328 HD11 LEU 47 1HD1 LEU 47 8.281 -10.137 -2.609 329 HD12 LEU 47 2HD1 LEU 47 7.710 -10.016 -4.272 330 HD13 LEU 47 3HD1 LEU 47 7.556 -11.537 -3.396 331 HD21 LEU 47 1HD2 LEU 47 4.384 -9.458 -3.842 332 HD22 LEU 47 2HD2 LEU 47 5.842 -9.449 -4.834 333 HD23 LEU 47 3HD2 LEU 47 5.568 -8.166 -3.653 334 H CYS 48 H CYS 48 6.099 -14.387 -3.129 335 HA CYS 48 HA CYS 48 3.759 -15.927 -2.394 336 HB2 CYS 48 2HB CYS 48 5.169 -17.841 -2.431 337 HB3 CYS 48 1HB CYS 48 5.722 -16.831 -3.763 338 HG CYS 48 HG CYS 48 7.268 -16.951 -1.063 339 H GLY 49 H GLY 49 4.172 -17.426 -0.308 340 HA2 GLY 49 2HA GLY 49 3.997 -15.783 1.904 341 HA3 GLY 49 1HA GLY 49 4.429 -17.485 1.977 342 H ASP 50 H ASP 50 6.844 -17.656 0.878 343 HA ASP 50 HA ASP 50 8.597 -16.832 2.859 344 HB2 ASP 50 2HB ASP 50 9.069 -17.661 0.002 345 HB3 ASP 50 1HB ASP 50 10.395 -17.281 1.094 346 H CYS 51 H CYS 51 7.728 -15.159 -0.096 347 HA CYS 51 HA CYS 51 9.695 -13.083 0.451 348 HB2 CYS 51 2HB CYS 51 8.031 -13.844 -1.883 349 HB3 CYS 51 1HB CYS 51 8.437 -12.138 -1.721 350 HG CYS 51 HG CYS 51 10.520 -12.786 -2.843 351 H SER 52 H SER 52 6.672 -13.739 1.546 352 HA SER 52 HA SER 52 6.128 -10.896 2.021 353 HB2 SER 52 2HB SER 52 3.746 -11.232 1.722 354 HB3 SER 52 1HB SER 52 4.579 -11.773 0.263 355 HG SER 52 HG SER 52 3.292 -13.273 2.251 356 H ARG 53 H ARG 53 7.413 -13.091 3.554 357 HA ARG 53 HA ARG 53 5.566 -13.784 5.649 358 HB2 ARG 53 2HB ARG 53 8.433 -14.332 5.069 359 HB3 ARG 53 1HB ARG 53 7.913 -14.439 6.746 360 HG2 ARG 53 2HG ARG 53 6.674 -15.955 4.460 361 HG3 ARG 53 1HG ARG 53 7.876 -16.602 5.572 362 HD2 ARG 53 2HD ARG 53 6.310 -16.097 7.443 363 HD3 ARG 53 1HD ARG 53 5.101 -15.637 6.245 364 HE ARG 53 HE ARG 53 5.915 -18.173 5.550 365 HH11 ARG 53 1HH1 ARG 53 4.469 -16.653 8.328 366 HH12 ARG 53 2HH1 ARG 53 3.619 -18.077 8.829 367 HH21 ARG 53 1HH2 ARG 53 4.800 -20.057 6.201 368 HH22 ARG 53 2HH2 ARG 53 3.810 -20.012 7.622 369 H HIS 54 H HIS 54 7.762 -11.166 5.016 370 HA HIS 54 HA HIS 54 8.097 -10.411 7.748 371 HB2 HIS 54 2HB HIS 54 8.652 -9.016 5.140 372 HB3 HIS 54 1HB HIS 54 8.895 -8.220 6.684 373 HD1 HIS 54 1HD HIS 54 10.529 -9.770 8.367 374 HD2 HIS 54 2HD HIS 54 10.896 -10.217 4.254 375 HE1 HIS 54 1HE HIS 54 12.806 -10.773 8.001 376 HE2 HIS 54 2HE HIS 54 12.964 -11.130 5.511 377 H ARG 55 H ARG 55 7.486 -8.253 8.520 378 HA ARG 55 HA ARG 55 4.944 -7.260 7.486 379 HB2 ARG 55 2HB ARG 55 5.403 -8.008 10.384 380 HB3 ARG 55 1HB ARG 55 3.973 -7.204 9.748 381 HG2 ARG 55 2HG ARG 55 3.514 -9.169 8.344 382 HG3 ARG 55 1HG ARG 55 4.907 -9.980 9.059 383 HD2 ARG 55 2HD ARG 55 3.813 -9.612 11.303 384 HD3 ARG 55 1HD ARG 55 2.370 -9.111 10.421 385 HE ARG 55 HE ARG 55 3.341 -11.662 9.576 386 HH11 ARG 55 1HH1 ARG 55 1.458 -10.018 11.996 387 HH12 ARG 55 2HH1 ARG 55 0.508 -11.411 12.392 388 HH21 ARG 55 1HH2 ARG 55 2.097 -13.507 10.088 389 HH22 ARG 55 2HH2 ARG 55 0.875 -13.396 11.312 390 H ALA 56 H ALA 56 4.800 -5.099 7.555 391 HA ALA 56 HA ALA 56 6.336 -3.522 9.430 392 HB1 ALA 56 1HB ALA 56 8.175 -3.637 8.095 393 HB2 ALA 56 2HB ALA 56 7.368 -2.257 7.350 394 HB3 ALA 56 3HB ALA 56 7.233 -3.858 6.621 395 H ALA 57 H ALA 57 5.862 -1.245 9.363 396 HA ALA 57 HA ALA 57 3.196 -0.722 8.348 397 HB1 ALA 57 1HB ALA 57 3.259 1.278 9.661 398 HB2 ALA 57 2HB ALA 57 5.006 1.155 9.871 399 HB3 ALA 57 3HB ALA 57 3.940 -0.018 10.646 400 H ILE 58 H ILE 58 2.758 1.265 7.106 401 HA ILE 58 HA ILE 58 5.030 2.119 5.458 402 HB ILE 58 HB ILE 58 2.377 1.793 4.147 403 HG12 ILE 58 2HG1 ILE 58 4.272 -0.479 4.781 404 HG13 ILE 58 1HG1 ILE 58 2.584 -0.343 5.259 405 HG21 ILE 58 1HG2 ILE 58 4.274 2.833 3.001 406 HG22 ILE 58 2HG2 ILE 58 3.773 1.339 2.210 407 HG23 ILE 58 3HG2 ILE 58 5.213 1.360 3.226 408 HD11 ILE 58 1HD1 ILE 58 3.488 -1.756 3.139 409 HD12 ILE 58 2HD1 ILE 58 3.046 -0.233 2.370 410 HD13 ILE 58 3HD1 ILE 58 1.848 -1.132 3.300 411 HA PRO 59 HA PRO 59 2.641 5.648 7.313 412 HB2 PRO 59 2HB PRO 59 4.881 7.164 7.742 413 HB3 PRO 59 1HB PRO 59 4.208 6.024 8.910 414 HG2 PRO 59 2HG PRO 59 6.473 5.649 6.990 415 HG3 PRO 59 1HG PRO 59 6.348 5.143 8.686 416 HD2 PRO 59 2HD PRO 59 5.982 3.408 6.668 417 HD3 PRO 59 1HD PRO 59 5.037 3.301 8.168 418 H MET 60 H MET 60 4.690 5.326 4.530 419 HA MET 60 HA MET 60 4.218 8.068 3.684 420 HB2 MET 60 2HB MET 60 5.533 5.720 2.299 421 HB3 MET 60 1HB MET 60 5.433 7.346 1.638 422 HG2 MET 60 2HG MET 60 6.713 8.157 3.609 423 HG3 MET 60 1HG MET 60 6.918 6.478 4.106 424 HE1 MET 60 1HE MET 60 7.881 5.174 0.706 425 HE2 MET 60 2HE MET 60 7.429 4.766 2.362 426 HE3 MET 60 3HE MET 60 9.130 4.813 1.899 427 H ARG 61 H ARG 61 3.182 4.807 3.051 428 HA ARG 61 HA ARG 61 1.396 5.540 0.899 429 HB2 ARG 61 2HB ARG 61 1.546 2.923 2.390 430 HB3 ARG 61 1HB ARG 61 0.862 3.206 0.795 431 HG2 ARG 61 2HG ARG 61 3.769 3.531 1.500 432 HG3 ARG 61 1HG ARG 61 3.066 2.116 0.716 433 HD2 ARG 61 2HD ARG 61 2.929 4.914 -0.387 434 HD3 ARG 61 1HD ARG 61 4.160 3.732 -0.835 435 HE ARG 61 HE ARG 61 1.501 2.739 -1.178 436 HH11 ARG 61 1HH1 ARG 61 4.002 4.677 -2.630 437 HH12 ARG 61 2HH1 ARG 61 3.446 4.413 -4.250 438 HH21 ARG 61 1HH2 ARG 61 0.759 2.385 -3.301 439 HH22 ARG 61 2HH2 ARG 61 1.599 3.108 -4.631 440 H GLY 62 H GLY 62 1.239 6.094 4.067 441 HA2 GLY 62 2HA GLY 62 -0.631 6.999 5.184 442 HA3 GLY 62 1HA GLY 62 -1.683 6.162 4.051 443 H ILE 63 H ILE 63 0.730 4.119 5.180 444 HA ILE 63 HA ILE 63 -1.174 2.841 7.007 445 HB ILE 63 HB ILE 63 1.327 1.747 5.706 446 HG12 ILE 63 2HG1 ILE 63 -1.535 0.998 5.125 447 HG13 ILE 63 1HG1 ILE 63 -0.700 2.272 4.243 448 HG21 ILE 63 1HG2 ILE 63 -0.750 0.382 7.408 449 HG22 ILE 63 2HG2 ILE 63 0.950 0.635 7.802 450 HG23 ILE 63 3HG2 ILE 63 0.503 -0.451 6.486 451 HD11 ILE 63 1HD1 ILE 63 -0.756 -0.017 3.178 452 HD12 ILE 63 2HD1 ILE 63 0.379 -0.518 4.430 453 HD13 ILE 63 3HD1 ILE 63 0.822 0.761 3.299 454 H THR 64 H THR 64 -0.884 3.745 8.983 455 HA THR 64 HA THR 64 1.791 4.295 9.970 456 HB THR 64 HB THR 64 0.647 5.257 11.924 457 HG1 THR 64 1HG THR 64 -1.547 5.219 12.080 458 HG21 THR 64 1HG2 THR 64 0.943 6.606 9.835 459 HG22 THR 64 2HG2 THR 64 -0.367 7.129 10.897 460 HG23 THR 64 3HG2 THR 64 -0.730 6.214 9.433 461 H GLU 65 H GLU 65 -0.437 1.728 10.078 462 HA GLU 65 HA GLU 65 0.823 0.607 12.484 463 HB2 GLU 65 2HB GLU 65 -1.565 -0.506 11.009 464 HB3 GLU 65 1HB GLU 65 -1.024 -0.901 12.634 465 HG2 GLU 65 2HG GLU 65 -2.592 0.527 13.305 466 HG3 GLU 65 1HG GLU 65 -1.456 1.785 12.822 467 HA PRO 66 HA PRO 66 3.320 -2.015 10.019 468 HB2 PRO 66 2HB PRO 66 3.279 -4.330 11.560 469 HB3 PRO 66 1HB PRO 66 4.351 -2.954 11.832 470 HG2 PRO 66 2HG PRO 66 1.780 -3.648 13.183 471 HG3 PRO 66 1HG PRO 66 3.262 -2.960 13.871 472 HD2 PRO 66 2HD PRO 66 1.093 -1.446 13.368 473 HD3 PRO 66 1HD PRO 66 2.741 -0.815 13.167 474 H GLU 67 H GLU 67 2.720 -2.875 8.195 475 HA GLU 67 HA GLU 67 0.556 -4.863 8.164 476 HB2 GLU 67 2HB GLU 67 1.086 -2.678 6.145 477 HB3 GLU 67 1HB GLU 67 -0.077 -3.972 5.921 478 HG2 GLU 67 2HG GLU 67 -1.264 -3.193 7.953 479 HG3 GLU 67 1HG GLU 67 -0.150 -1.828 8.027 480 H ARG 68 H ARG 68 0.611 -6.184 6.086 481 HA ARG 68 HA ARG 68 3.166 -7.416 5.914 482 HB2 ARG 68 2HB ARG 68 2.088 -8.933 4.306 483 HB3 ARG 68 1HB ARG 68 1.166 -8.740 5.791 484 HG2 ARG 68 2HG ARG 68 -0.249 -7.059 4.577 485 HG3 ARG 68 1HG ARG 68 0.582 -7.545 3.096 486 HD2 ARG 68 2HD ARG 68 -1.432 -8.794 3.195 487 HD3 ARG 68 1HD ARG 68 -0.124 -9.903 3.599 488 HE ARG 68 HE ARG 68 -2.211 -8.935 5.374 489 HH11 ARG 68 1HH1 ARG 68 0.821 -10.626 5.048 490 HH12 ARG 68 2HH1 ARG 68 0.668 -11.452 6.563 491 HH21 ARG 68 1HH2 ARG 68 -2.414 -10.014 7.372 492 HH22 ARG 68 2HH2 ARG 68 -1.170 -11.108 7.880 493 H VAL 69 H VAL 69 4.669 -7.397 4.429 494 HA VAL 69 HA VAL 69 4.322 -6.019 1.871 495 HB VAL 69 HB VAL 69 6.468 -4.813 2.158 496 HG11 VAL 69 1HG1 VAL 69 4.306 -3.685 2.479 497 HG12 VAL 69 2HG1 VAL 69 5.590 -2.984 3.468 498 HG13 VAL 69 3HG1 VAL 69 4.392 -4.049 4.205 499 HG21 VAL 69 1HG2 VAL 69 7.664 -5.897 3.815 500 HG22 VAL 69 2HG2 VAL 69 6.275 -5.988 4.903 501 HG23 VAL 69 3HG2 VAL 69 7.102 -4.448 4.654 502 H CYS 70 H CYS 70 6.704 -6.167 0.790 503 HA CYS 70 HA CYS 70 7.398 -9.005 0.923 504 HB2 CYS 70 2HB CYS 70 8.109 -8.881 -1.277 505 HB3 CYS 70 1HB CYS 70 6.793 -7.718 -1.273 506 HG CYS 70 HG CYS 70 8.521 -6.325 -2.348 507 H ASP 71 H ASP 71 10.012 -8.759 -0.182 508 HA ASP 71 HA ASP 71 11.389 -8.021 2.255 509 HB2 ASP 71 2HB ASP 71 12.417 -9.221 -0.325 510 HB3 ASP 71 1HB ASP 71 13.404 -8.949 1.110 511 H ALA 72 H ALA 72 11.437 -6.877 -1.114 512 HA ALA 72 HA ALA 72 13.491 -4.973 -0.686 513 HB1 ALA 72 1HB ALA 72 12.498 -3.918 -2.796 514 HB2 ALA 72 2HB ALA 72 11.390 -5.290 -2.801 515 HB3 ALA 72 3HB ALA 72 13.129 -5.560 -2.916 516 H CYS 73 H CYS 73 9.959 -4.694 -0.650 517 HA CYS 73 HA CYS 73 9.860 -1.918 -0.181 518 HB2 CYS 73 2HB CYS 73 7.836 -4.034 0.594 519 HB3 CYS 73 1HB CYS 73 7.533 -2.303 0.477 520 HG CYS 73 HG CYS 73 8.266 -3.962 -2.047 521 H TYR 74 H TYR 74 9.966 -4.715 1.985 522 HA TYR 74 HA TYR 74 9.547 -3.358 4.396 523 HB2 TYR 74 2HB TYR 74 9.598 -5.830 4.206 524 HB3 TYR 74 1HB TYR 74 11.332 -5.760 3.904 525 HD1 TYR 74 2HD TYR 74 8.711 -5.183 6.448 526 HD2 TYR 74 1HD TYR 74 12.884 -5.532 5.693 527 HE1 TYR 74 2HE TYR 74 9.135 -5.292 8.868 528 HE2 TYR 74 1HE TYR 74 13.318 -5.644 8.111 529 HH TYR 74 HH TYR 74 12.300 -5.061 10.195 530 H LEU 75 H LEU 75 12.451 -3.906 2.488 531 HA LEU 75 HA LEU 75 14.254 -2.665 4.312 532 HB2 LEU 75 2HB LEU 75 14.357 -3.623 1.500 533 HB3 LEU 75 1HB LEU 75 15.582 -2.479 2.012 534 HG LEU 75 HG LEU 75 15.058 -4.989 3.578 535 HD11 LEU 75 1HD1 LEU 75 15.624 -5.252 1.010 536 HD12 LEU 75 2HD1 LEU 75 16.364 -6.284 2.234 537 HD13 LEU 75 3HD1 LEU 75 17.256 -4.908 1.584 538 HD21 LEU 75 1HD2 LEU 75 17.650 -4.532 3.847 539 HD22 LEU 75 2HD2 LEU 75 16.454 -3.712 4.852 540 HD23 LEU 75 3HD2 LEU 75 17.150 -2.885 3.458 541 H ALA 76 H ALA 76 12.793 -1.527 1.257 542 HA ALA 76 HA ALA 76 13.960 0.952 1.139 543 HB1 ALA 76 1HB ALA 76 12.515 0.059 -0.635 544 HB2 ALA 76 2HB ALA 76 12.033 1.691 -0.173 545 HB3 ALA 76 3HB ALA 76 11.103 0.305 0.395 546 H LEU 77 H LEU 77 10.982 0.071 2.868 547 HA LEU 77 HA LEU 77 10.558 2.649 3.967 548 HB2 LEU 77 2HB LEU 77 9.754 -0.058 5.050 549 HB3 LEU 77 1HB LEU 77 9.130 1.479 5.613 550 HG LEU 77 HG LEU 77 8.792 0.548 2.769 551 HD11 LEU 77 1HD1 LEU 77 6.400 0.366 4.337 552 HD12 LEU 77 2HD1 LEU 77 7.665 -0.640 5.041 553 HD13 LEU 77 3HD1 LEU 77 7.193 -0.867 3.357 554 HD21 LEU 77 1HD2 LEU 77 8.515 2.972 3.300 555 HD22 LEU 77 2HD2 LEU 77 7.205 2.530 4.395 556 HD23 LEU 77 3HD2 LEU 77 7.059 2.199 2.668 557 H ARG 78 H ARG 78 12.221 -0.244 5.013 558 HA ARG 78 HA ARG 78 13.016 0.446 7.565 559 HB2 ARG 78 2HB ARG 78 13.259 -1.786 6.467 560 HB3 ARG 78 1HB ARG 78 14.614 -1.145 5.555 561 HG2 ARG 78 2HG ARG 78 15.709 -0.636 7.766 562 HG3 ARG 78 1HG ARG 78 14.423 -1.589 8.507 563 HD2 ARG 78 2HD ARG 78 15.066 -3.489 7.036 564 HD3 ARG 78 1HD ARG 78 16.439 -2.531 6.481 565 HE ARG 78 HE ARG 78 16.211 -3.936 8.962 566 HH11 ARG 78 1HH1 ARG 78 17.697 -1.223 7.363 567 HH12 ARG 78 2HH1 ARG 78 19.019 -1.123 8.476 568 HH21 ARG 78 1HH2 ARG 78 17.949 -3.816 10.433 569 HH22 ARG 78 2HH2 ARG 78 19.164 -2.601 10.221 570 H SER 79 H SER 79 14.066 1.769 4.563 571 HA SER 79 HA SER 79 16.693 2.508 5.206 572 HB2 SER 79 2HB SER 79 16.528 4.099 3.403 573 HB3 SER 79 1HB SER 79 15.629 2.659 2.929 574 HG SER 79 HG SER 79 14.216 4.217 2.497 575 H SER 80 H SER 80 13.609 3.809 6.122 576 HA SER 80 HA SER 80 14.982 5.912 7.663 577 HB2 SER 80 2HB SER 80 13.578 6.824 5.823 578 HB3 SER 80 1HB SER 80 12.174 6.033 6.536 579 HG SER 80 HG SER 80 13.771 7.811 8.033 580 H ASN 81 H ASN 81 14.448 6.139 9.796 581 HA ASN 81 HA ASN 81 12.933 3.946 10.971 582 HB2 ASN 81 2HB ASN 81 14.689 6.078 12.200 583 HB3 ASN 81 1HB ASN 81 13.833 4.854 13.134 584 HD21 ASN 81 1HD2 ASN 81 16.597 5.164 13.183 585 HD22 ASN 81 2HD2 ASN 81 17.324 3.761 12.483 586 H MET 82 H MET 82 11.101 4.168 12.184 587 HA MET 82 HA MET 82 9.557 6.564 11.729 588 HB2 MET 82 2HB MET 82 8.895 3.981 13.149 589 HB3 MET 82 1HB MET 82 7.752 5.294 12.906 590 HG2 MET 82 2HG MET 82 8.104 5.046 10.452 591 HG3 MET 82 1HG MET 82 9.074 3.615 10.794 592 HE1 MET 82 1HE MET 82 5.931 5.461 11.204 593 HE2 MET 82 2HE MET 82 5.184 4.480 12.466 594 HE3 MET 82 3HE MET 82 4.672 4.299 10.788 595 H ALA 83 H ALA 83 9.047 8.112 13.175 596 HA ALA 83 HA ALA 83 10.618 8.451 15.488 597 HB1 ALA 83 1HB ALA 83 8.885 10.028 13.971 598 HB2 ALA 83 2HB ALA 83 9.859 10.536 15.351 599 HB3 ALA 83 3HB ALA 83 8.195 10.005 15.594 600 H GLY 84 H GLY 84 10.157 8.232 17.661 601 HA2 GLY 84 2HA GLY 84 7.642 7.572 18.735 602 HA3 GLY 84 1HA GLY 84 8.526 6.084 18.432 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -3.548 20.068 2.743 2 H2 GLY 1 2HT GLY 1 -2.033 20.420 3.409 3 H3 GLY 1 3HT GLY 1 -3.127 19.455 4.264 4 HA2 GLY 1 1HA GLY 1 -1.337 18.759 2.085 5 HA3 GLY 1 2HA GLY 1 -1.887 17.783 3.439 6 HA PRO 2 HA PRO 2 -4.732 15.512 0.990 7 HB2 PRO 2 2HB PRO 2 -6.936 16.363 2.794 8 HB3 PRO 2 1HB PRO 2 -6.408 14.736 2.350 9 HG2 PRO 2 2HG PRO 2 -5.856 15.737 4.758 10 HG3 PRO 2 1HG PRO 2 -4.679 14.731 3.893 11 HD2 PRO 2 2HD PRO 2 -4.734 17.696 4.261 12 HD3 PRO 2 1HD PRO 2 -3.348 16.585 4.247 13 H LEU 3 H LEU 3 -6.165 15.769 -0.691 14 HA LEU 3 HA LEU 3 -6.546 18.333 -1.746 15 HB2 LEU 3 2HB LEU 3 -8.068 15.808 -2.398 16 HB3 LEU 3 1HB LEU 3 -8.005 17.251 -3.392 17 HG LEU 3 HG LEU 3 -5.734 15.359 -2.793 18 HD11 LEU 3 1HD1 LEU 3 -7.603 14.948 -4.589 19 HD12 LEU 3 2HD1 LEU 3 -5.907 14.631 -4.955 20 HD13 LEU 3 3HD1 LEU 3 -6.667 16.120 -5.514 21 HD21 LEU 3 1HD2 LEU 3 -4.928 17.166 -4.745 22 HD22 LEU 3 2HD2 LEU 3 -4.356 17.080 -3.078 23 HD23 LEU 3 3HD2 LEU 3 -5.687 18.159 -3.501 24 H GLY 4 H GLY 4 -8.617 16.310 0.241 25 HA2 GLY 4 2HA GLY 4 -10.322 18.630 0.742 26 HA3 GLY 4 1HA GLY 4 -11.099 17.194 0.092 27 H SER 5 H SER 5 -12.111 17.952 2.376 28 HA SER 5 HA SER 5 -10.829 17.139 4.736 29 HB2 SER 5 2HB SER 5 -13.033 17.219 5.766 30 HB3 SER 5 1HB SER 5 -12.847 18.585 4.667 31 HG SER 5 HG SER 5 -14.522 17.875 3.641 32 H MET 6 H MET 6 -12.511 15.354 2.280 33 HA MET 6 HA MET 6 -13.168 13.032 3.693 34 HB2 MET 6 2HB MET 6 -12.386 13.380 0.794 35 HB3 MET 6 1HB MET 6 -13.089 11.914 1.463 36 HG2 MET 6 2HG MET 6 -14.378 14.627 1.316 37 HG3 MET 6 1HG MET 6 -14.784 13.207 0.354 38 HE1 MET 6 1HE MET 6 -15.255 11.028 1.351 39 HE2 MET 6 2HE MET 6 -16.606 10.873 2.474 40 HE3 MET 6 3HE MET 6 -14.950 10.806 3.074 41 H GLY 7 H GLY 7 -10.145 14.065 2.214 42 HA2 GLY 7 2HA GLY 7 -7.995 13.332 2.652 43 HA3 GLY 7 1HA GLY 7 -8.661 12.196 3.815 44 H GLU 8 H GLU 8 -9.719 12.356 0.484 45 HA GLU 8 HA GLU 8 -9.013 9.578 0.121 46 HB2 GLU 8 2HB GLU 8 -10.341 11.550 -1.752 47 HB3 GLU 8 1HB GLU 8 -10.135 9.834 -2.081 48 HG2 GLU 8 2HG GLU 8 -11.501 9.324 -0.092 49 HG3 GLU 8 1HG GLU 8 -11.763 11.053 0.136 50 H LYS 9 H LYS 9 -7.111 12.132 0.046 51 HA LYS 9 HA LYS 9 -5.850 12.111 -2.457 52 HB2 LYS 9 2HB LYS 9 -5.457 13.798 -0.646 53 HB3 LYS 9 1HB LYS 9 -4.546 12.580 0.235 54 HG2 LYS 9 2HG LYS 9 -2.952 12.448 -1.629 55 HG3 LYS 9 1HG LYS 9 -3.854 13.712 -2.468 56 HD2 LYS 9 2HD LYS 9 -3.449 15.205 -0.513 57 HD3 LYS 9 1HD LYS 9 -2.414 13.950 0.171 58 HE2 LYS 9 2HE LYS 9 -1.282 15.832 -1.134 59 HE3 LYS 9 1HE LYS 9 -0.822 14.177 -1.527 60 HZ1 LYS 9 1HZ LYS 9 -1.350 15.825 -3.419 61 HZ2 LYS 9 2HZ LYS 9 -2.967 15.506 -3.044 62 HZ3 LYS 9 3HZ LYS 9 -1.946 14.245 -3.521 63 H GLN 10 H GLN 10 -6.001 9.819 0.042 64 HA GLN 10 HA GLN 10 -3.581 8.455 -0.148 65 HB2 GLN 10 2HB GLN 10 -5.233 8.032 1.596 66 HB3 GLN 10 1HB GLN 10 -6.366 7.406 0.405 67 HG2 GLN 10 2HG GLN 10 -4.845 5.550 -0.060 68 HG3 GLN 10 1HG GLN 10 -3.706 6.185 1.125 69 HE21 GLN 10 1HE2 GLN 10 -4.444 3.690 1.512 70 HE22 GLN 10 2HE2 GLN 10 -5.575 3.543 2.810 71 H SER 11 H SER 11 -2.828 6.806 -1.437 72 HA SER 11 HA SER 11 -4.448 6.167 -3.816 73 HB2 SER 11 2HB SER 11 -2.394 6.049 -5.125 74 HB3 SER 11 1HB SER 11 -2.509 7.627 -4.344 75 HG SER 11 HG SER 11 -0.927 7.076 -2.960 76 H LYS 12 H LYS 12 -4.236 4.058 -4.686 77 HA LYS 12 HA LYS 12 -3.371 2.083 -2.692 78 HB2 LYS 12 2HB LYS 12 -5.762 2.089 -3.488 79 HB3 LYS 12 1HB LYS 12 -5.167 1.629 -5.077 80 HG2 LYS 12 2HG LYS 12 -4.202 -0.412 -4.107 81 HG3 LYS 12 1HG LYS 12 -4.857 0.046 -2.534 82 HD2 LYS 12 2HD LYS 12 -7.131 0.057 -3.575 83 HD3 LYS 12 1HD LYS 12 -6.402 -0.605 -5.039 84 HE2 LYS 12 2HE LYS 12 -5.499 -2.465 -3.556 85 HE3 LYS 12 1HE LYS 12 -6.603 -1.866 -2.318 86 HZ1 LYS 12 1HZ LYS 12 -7.840 -3.485 -3.359 87 HZ2 LYS 12 2HZ LYS 12 -7.229 -3.139 -4.898 88 HZ3 LYS 12 3HZ LYS 12 -8.354 -2.098 -4.180 89 H GLY 13 H GLY 13 -1.815 0.612 -3.123 90 HA2 GLY 13 2HA GLY 13 0.010 1.053 -5.211 91 HA3 GLY 13 1HA GLY 13 -0.041 -0.376 -4.193 92 H TYR 14 H TYR 14 0.560 -0.211 -7.030 93 HA TYR 14 HA TYR 14 -1.731 -1.199 -8.452 94 HB2 TYR 14 2HB TYR 14 0.011 0.069 -9.610 95 HB3 TYR 14 1HB TYR 14 1.187 -1.186 -9.236 96 HD1 TYR 14 1HD TYR 14 -1.850 -0.415 -11.196 97 HD2 TYR 14 2HD TYR 14 1.329 -3.167 -10.542 98 HE1 TYR 14 1HE TYR 14 -2.443 -1.589 -13.276 99 HE2 TYR 14 2HE TYR 14 0.745 -4.346 -12.618 100 HH TYR 14 HH TYR 14 -1.194 -4.647 -14.080 101 H TRP 15 H TRP 15 -2.452 -3.204 -8.423 102 HA TRP 15 HA TRP 15 -0.794 -5.343 -7.307 103 HB2 TRP 15 2HB TRP 15 -2.886 -6.639 -7.241 104 HB3 TRP 15 1HB TRP 15 -3.054 -5.096 -6.411 105 HD1 TRP 15 HD TRP 15 -4.545 -3.199 -7.657 106 HE1 TRP 15 1HE TRP 15 -6.465 -3.424 -9.355 107 HE3 TRP 15 3HE TRP 15 -3.741 -8.020 -9.160 108 HZ2 TRP 15 2HZ TRP 15 -7.501 -5.383 -11.100 109 HZ3 TRP 15 3HZ TRP 15 -5.242 -8.994 -10.848 110 HH2 TRP 15 HH TRP 15 -7.084 -7.702 -11.798 111 H GLN 16 H GLN 16 0.324 -6.630 -8.613 112 HA GLN 16 HA GLN 16 -0.279 -6.743 -11.453 113 HB2 GLN 16 2HB GLN 16 2.070 -6.571 -10.656 114 HB3 GLN 16 1HB GLN 16 1.898 -8.136 -9.873 115 HG2 GLN 16 2HG GLN 16 1.567 -9.207 -12.017 116 HG3 GLN 16 1HG GLN 16 1.643 -7.644 -12.831 117 HE21 GLN 16 1HE2 GLN 16 3.314 -9.467 -13.738 118 HE22 GLN 16 2HE2 GLN 16 4.935 -9.172 -13.222 119 H GLU 17 H GLU 17 -1.261 -8.287 -12.489 120 HA GLU 17 HA GLU 17 -2.873 -10.126 -11.191 121 HB2 GLU 17 2HB GLU 17 -1.967 -10.061 -14.065 122 HB3 GLU 17 1HB GLU 17 -3.264 -11.081 -13.458 123 HG2 GLU 17 2HG GLU 17 -4.486 -9.067 -12.753 124 HG3 GLU 17 1HG GLU 17 -3.202 -8.072 -13.437 125 H ASP 18 H ASP 18 -2.928 -12.400 -11.225 126 HA ASP 18 HA ASP 18 -0.620 -13.745 -10.367 127 HB2 ASP 18 2HB ASP 18 -1.964 -15.782 -10.643 128 HB3 ASP 18 1HB ASP 18 -2.868 -14.506 -9.832 129 H GLU 19 H GLU 19 -2.206 -13.711 -13.539 130 HA GLU 19 HA GLU 19 -0.501 -15.608 -14.735 131 HB2 GLU 19 2HB GLU 19 -2.209 -13.440 -15.951 132 HB3 GLU 19 1HB GLU 19 -1.380 -14.673 -16.888 133 HG2 GLU 19 2HG GLU 19 -2.649 -16.404 -15.681 134 HG3 GLU 19 1HG GLU 19 -3.517 -15.133 -14.819 135 H ASP 20 H ASP 20 -0.379 -12.070 -14.660 136 HA ASP 20 HA ASP 20 1.824 -11.840 -16.417 137 HB2 ASP 20 2HB ASP 20 0.781 -9.954 -14.293 138 HB3 ASP 20 1HB ASP 20 2.043 -9.534 -15.448 139 H ALA 21 H ALA 21 1.514 -12.297 -12.982 140 HA ALA 21 HA ALA 21 4.451 -12.385 -12.725 141 HB1 ALA 21 1HB ALA 21 4.309 -11.301 -10.780 142 HB2 ALA 21 2HB ALA 21 2.986 -12.322 -10.216 143 HB3 ALA 21 3HB ALA 21 2.646 -10.925 -11.237 144 HA PRO 22 HA PRO 22 2.931 -16.756 -12.240 145 HB2 PRO 22 2HB PRO 22 4.763 -17.878 -13.867 146 HB3 PRO 22 1HB PRO 22 3.277 -17.149 -14.483 147 HG2 PRO 22 2HG PRO 22 6.035 -15.988 -14.360 148 HG3 PRO 22 1HG PRO 22 4.871 -15.960 -15.698 149 HD2 PRO 22 2HD PRO 22 5.224 -13.858 -14.025 150 HD3 PRO 22 1HD PRO 22 3.660 -14.231 -14.777 151 H ALA 23 H ALA 23 5.796 -15.023 -11.691 152 HA ALA 23 HA ALA 23 6.701 -17.055 -9.772 153 HB1 ALA 23 1HB ALA 23 9.045 -16.584 -10.359 154 HB2 ALA 23 2HB ALA 23 8.494 -15.558 -11.683 155 HB3 ALA 23 3HB ALA 23 8.150 -17.287 -11.706 156 H CYS 24 H CYS 24 7.963 -16.158 -7.990 157 HA CYS 24 HA CYS 24 6.859 -13.796 -6.985 158 HB2 CYS 24 2HB CYS 24 7.856 -15.700 -5.668 159 HB3 CYS 24 1HB CYS 24 9.443 -15.053 -6.068 160 HG CYS 24 HG CYS 24 7.385 -13.495 -4.335 161 H ASN 25 H ASN 25 7.289 -11.761 -7.344 162 HA ASN 25 HA ASN 25 9.243 -10.835 -9.124 163 HB2 ASN 25 2HB ASN 25 7.635 -9.390 -7.013 164 HB3 ASN 25 1HB ASN 25 8.645 -8.573 -8.200 165 HD21 ASN 25 1HD2 ASN 25 8.193 -9.324 -10.514 166 HD22 ASN 25 2HD2 ASN 25 6.526 -9.433 -10.954 167 H GLY 26 H GLY 26 9.357 -11.443 -5.695 168 HA2 GLY 26 2HA GLY 26 11.745 -9.852 -5.314 169 HA3 GLY 26 1HA GLY 26 10.916 -10.802 -4.095 170 H CYS 27 H CYS 27 11.021 -13.341 -4.886 171 HA CYS 27 HA CYS 27 13.912 -13.813 -5.047 172 HB2 CYS 27 2HB CYS 27 13.498 -15.943 -3.961 173 HB3 CYS 27 1HB CYS 27 12.755 -14.644 -3.035 174 HG CYS 27 HG CYS 27 10.745 -16.032 -3.123 175 H GLY 28 H GLY 28 11.316 -13.916 -7.113 176 HA2 GLY 28 2HA GLY 28 11.167 -14.763 -9.238 177 HA3 GLY 28 1HA GLY 28 12.805 -15.365 -9.050 178 H CYS 29 H CYS 29 10.824 -16.498 -6.556 179 HA CYS 29 HA CYS 29 10.982 -19.170 -7.536 180 HB2 CYS 29 2HB CYS 29 9.993 -19.852 -5.512 181 HB3 CYS 29 1HB CYS 29 10.948 -18.437 -5.085 182 HG CYS 29 HG CYS 29 7.862 -18.255 -5.434 183 H VAL 30 H VAL 30 9.412 -20.498 -8.347 184 HA VAL 30 HA VAL 30 7.290 -19.161 -9.761 185 HB VAL 30 HB VAL 30 7.397 -22.117 -9.708 186 HG11 VAL 30 1HG1 VAL 30 7.391 -21.300 -12.302 187 HG12 VAL 30 2HG1 VAL 30 6.574 -19.958 -11.500 188 HG13 VAL 30 3HG1 VAL 30 5.948 -21.598 -11.332 189 HG21 VAL 30 1HG2 VAL 30 9.690 -21.939 -9.827 190 HG22 VAL 30 2HG2 VAL 30 9.633 -20.372 -10.632 191 HG23 VAL 30 3HG2 VAL 30 9.254 -21.840 -11.534 192 H PHE 31 H PHE 31 5.151 -19.247 -9.411 193 HA PHE 31 HA PHE 31 4.248 -20.170 -6.822 194 HB2 PHE 31 2HB PHE 31 2.882 -18.667 -9.056 195 HB3 PHE 31 1HB PHE 31 2.038 -19.185 -7.601 196 HD1 PHE 31 1HD PHE 31 2.522 -18.176 -5.452 197 HD2 PHE 31 2HD PHE 31 4.482 -16.865 -8.995 198 HE1 PHE 31 1HE PHE 31 3.265 -16.144 -4.284 199 HE2 PHE 31 2HE PHE 31 5.229 -14.830 -7.832 200 HZ PHE 31 HZ PHE 31 4.620 -14.468 -5.473 201 H THR 32 H THR 32 3.044 -21.867 -6.403 202 HA THR 32 HA THR 32 2.044 -23.498 -8.639 203 HB THR 32 HB THR 32 2.712 -25.521 -7.500 204 HG1 THR 32 1HG THR 32 3.249 -23.755 -5.414 205 HG21 THR 32 1HG2 THR 32 4.842 -25.491 -8.146 206 HG22 THR 32 2HG2 THR 32 5.246 -24.140 -7.088 207 HG23 THR 32 3HG2 THR 32 4.506 -23.837 -8.660 208 H THR 33 H THR 33 0.478 -25.216 -7.800 209 HA THR 33 HA THR 33 -1.830 -24.077 -6.859 210 HB THR 33 HB THR 33 -0.967 -26.934 -6.385 211 HG1 THR 33 1HG THR 33 -2.243 -25.753 -8.625 212 HG21 THR 33 1HG2 THR 33 -3.559 -25.545 -6.171 213 HG22 THR 33 2HG2 THR 33 -2.953 -26.968 -5.323 214 HG23 THR 33 3HG2 THR 33 -3.560 -27.116 -6.973 215 H THR 34 H THR 34 0.757 -25.549 -4.922 216 HA THR 34 HA THR 34 -0.713 -25.265 -2.485 217 HB THR 34 HB THR 34 1.391 -25.928 -1.378 218 HG1 THR 34 1HG THR 34 3.224 -25.716 -2.355 219 HG21 THR 34 1HG2 THR 34 -0.015 -27.700 -2.340 220 HG22 THR 34 2HG2 THR 34 1.702 -28.106 -2.343 221 HG23 THR 34 3HG2 THR 34 0.913 -27.594 -3.836 222 H VAL 35 H VAL 35 1.423 -23.163 -4.289 223 HA VAL 35 HA VAL 35 1.688 -21.407 -1.961 224 HB VAL 35 HB VAL 35 2.897 -21.171 -4.712 225 HG11 VAL 35 1HG1 VAL 35 4.194 -19.336 -3.843 226 HG12 VAL 35 2HG1 VAL 35 3.456 -19.525 -2.252 227 HG13 VAL 35 3HG1 VAL 35 2.478 -18.993 -3.620 228 HG21 VAL 35 1HG2 VAL 35 4.902 -21.401 -2.800 229 HG22 VAL 35 2HG2 VAL 35 4.394 -22.635 -3.956 230 HG23 VAL 35 3HG2 VAL 35 3.696 -22.603 -2.336 231 H ARG 36 H ARG 36 0.119 -20.069 -1.613 232 HA ARG 36 HA ARG 36 -1.741 -19.200 -3.624 233 HB2 ARG 36 2HB ARG 36 -1.351 -18.304 -0.761 234 HB3 ARG 36 1HB ARG 36 -2.694 -17.828 -1.792 235 HG2 ARG 36 2HG ARG 36 -3.347 -20.205 -1.973 236 HG3 ARG 36 1HG ARG 36 -2.056 -20.612 -0.841 237 HD2 ARG 36 2HD ARG 36 -4.082 -20.471 0.403 238 HD3 ARG 36 1HD ARG 36 -3.117 -19.050 0.800 239 HE ARG 36 HE ARG 36 -4.810 -18.355 -1.297 240 HH11 ARG 36 1HH1 ARG 36 -5.050 -19.340 2.034 241 HH12 ARG 36 2HH1 ARG 36 -6.521 -18.470 2.320 242 HH21 ARG 36 1HH2 ARG 36 -6.744 -17.202 -0.930 243 HH22 ARG 36 2HH2 ARG 36 -7.483 -17.254 0.636 244 H ARG 37 H ARG 37 -2.041 -17.136 -4.431 245 HA ARG 37 HA ARG 37 0.390 -15.603 -4.735 246 HB2 ARG 37 2HB ARG 37 -1.127 -16.018 -6.645 247 HB3 ARG 37 1HB ARG 37 -2.379 -15.083 -5.838 248 HG2 ARG 37 2HG ARG 37 -1.000 -13.089 -5.958 249 HG3 ARG 37 1HG ARG 37 0.299 -14.020 -6.703 250 HD2 ARG 37 2HD ARG 37 -0.867 -12.851 -8.430 251 HD3 ARG 37 1HD ARG 37 -1.243 -14.565 -8.572 252 HE ARG 37 HE ARG 37 -3.395 -14.069 -7.520 253 HH11 ARG 37 1HH1 ARG 37 -1.604 -11.378 -8.849 254 HH12 ARG 37 2HH1 ARG 37 -3.011 -10.397 -9.073 255 HH21 ARG 37 1HH2 ARG 37 -5.238 -12.776 -7.815 256 HH22 ARG 37 2HH2 ARG 37 -5.071 -11.185 -8.482 257 H HIS 38 H HIS 38 0.807 -13.575 -3.968 258 HA HIS 38 HA HIS 38 -1.247 -12.234 -2.381 259 HB2 HIS 38 2HB HIS 38 1.518 -12.871 -1.327 260 HB3 HIS 38 1HB HIS 38 0.305 -11.895 -0.505 261 HD1 HIS 38 1HD HIS 38 -2.015 -13.284 0.019 262 HD2 HIS 38 2HD HIS 38 1.439 -15.494 -0.653 263 HE1 HIS 38 1HE HIS 38 -2.479 -15.564 0.975 264 HE2 HIS 38 2HE HIS 38 -0.342 -16.854 0.640 265 H HIS 39 H HIS 39 -0.577 -10.005 -1.760 266 HA HIS 39 HA HIS 39 1.353 -8.873 -3.678 267 HB2 HIS 39 2HB HIS 39 -1.399 -7.821 -3.015 268 HB3 HIS 39 1HB HIS 39 -0.187 -6.912 -3.912 269 HD1 HIS 39 1HD HIS 39 -2.674 -9.644 -4.262 270 HD2 HIS 39 2HD HIS 39 0.320 -7.868 -6.530 271 HE1 HIS 39 1HE HIS 39 -3.045 -10.450 -6.615 272 HE2 HIS 39 2HE HIS 39 -1.172 -9.428 -7.954 273 H CYS 40 H CYS 40 2.499 -7.050 -3.033 274 HA CYS 40 HA CYS 40 2.640 -6.616 -0.147 275 HB2 CYS 40 2HB CYS 40 4.757 -7.025 -1.236 276 HB3 CYS 40 1HB CYS 40 4.412 -5.821 -2.472 277 HG CYS 40 HG CYS 40 5.287 -4.059 -1.007 278 H ARG 41 H ARG 41 2.097 -4.699 0.802 279 HA ARG 41 HA ARG 41 0.306 -3.002 -0.603 280 HB2 ARG 41 2HB ARG 41 1.509 -2.702 2.149 281 HB3 ARG 41 1HB ARG 41 0.164 -1.758 1.524 282 HG2 ARG 41 2HG ARG 41 0.149 -4.750 1.852 283 HG3 ARG 41 1HG ARG 41 -0.540 -3.602 3.003 284 HD2 ARG 41 2HD ARG 41 -2.000 -2.749 1.178 285 HD3 ARG 41 1HD ARG 41 -1.381 -4.034 0.140 286 HE ARG 41 HE ARG 41 -2.356 -5.204 2.481 287 HH11 ARG 41 1HH1 ARG 41 -3.525 -3.462 -0.294 288 HH12 ARG 41 2HH1 ARG 41 -5.090 -4.203 -0.266 289 HH21 ARG 41 1HH2 ARG 41 -4.418 -6.187 2.534 290 HH22 ARG 41 2HH2 ARG 41 -5.600 -5.750 1.346 291 H ASN 42 H ASN 42 3.620 -2.980 -0.589 292 HA ASN 42 HA ASN 42 3.820 -0.067 -0.815 293 HB2 ASN 42 2HB ASN 42 5.887 -2.227 -0.420 294 HB3 ASN 42 1HB ASN 42 6.320 -0.569 -0.808 295 HD21 ASN 42 1HD2 ASN 42 6.311 -2.564 1.635 296 HD22 ASN 42 2HD2 ASN 42 5.898 -1.512 2.940 297 H CYS 43 H CYS 43 5.520 -2.734 -2.463 298 HA CYS 43 HA CYS 43 5.744 -1.166 -4.843 299 HB2 CYS 43 2HB CYS 43 6.924 -3.085 -5.777 300 HB3 CYS 43 1HB CYS 43 7.520 -2.715 -4.164 301 HG CYS 43 HG CYS 43 5.641 -4.812 -3.629 302 H GLY 44 H GLY 44 3.502 -3.540 -3.693 303 HA2 GLY 44 2HA GLY 44 1.470 -4.170 -4.591 304 HA3 GLY 44 1HA GLY 44 1.766 -3.056 -5.916 305 H TYR 45 H TYR 45 4.160 -5.432 -5.221 306 HA TYR 45 HA TYR 45 3.499 -6.789 -7.728 307 HB2 TYR 45 2HB TYR 45 6.024 -6.909 -6.071 308 HB3 TYR 45 1HB TYR 45 5.778 -7.712 -7.613 309 HD1 TYR 45 2HD TYR 45 4.471 -5.649 -9.215 310 HD2 TYR 45 1HD TYR 45 7.674 -5.310 -6.436 311 HE1 TYR 45 2HE TYR 45 5.279 -3.652 -10.400 312 HE2 TYR 45 1HE TYR 45 8.492 -3.310 -7.614 313 HH TYR 45 HH TYR 45 6.664 -1.840 -10.223 314 H VAL 46 H VAL 46 3.774 -9.121 -7.818 315 HA VAL 46 HA VAL 46 2.313 -10.333 -5.671 316 HB VAL 46 HB VAL 46 3.504 -11.581 -8.153 317 HG11 VAL 46 1HG1 VAL 46 3.279 -13.259 -6.435 318 HG12 VAL 46 2HG1 VAL 46 2.015 -13.489 -7.645 319 HG13 VAL 46 3HG1 VAL 46 1.629 -12.739 -6.095 320 HG21 VAL 46 1HG2 VAL 46 1.464 -11.302 -9.190 321 HG22 VAL 46 2HG2 VAL 46 1.561 -9.830 -8.224 322 HG23 VAL 46 3HG2 VAL 46 0.584 -11.187 -7.667 323 H LEU 47 H LEU 47 3.071 -11.467 -3.992 324 HA LEU 47 HA LEU 47 5.843 -12.450 -4.090 325 HB2 LEU 47 2HB LEU 47 4.527 -10.952 -1.822 326 HB3 LEU 47 1HB LEU 47 6.019 -11.850 -1.651 327 HG LEU 47 HG LEU 47 6.335 -9.407 -1.865 328 HD11 LEU 47 1HD1 LEU 47 7.552 -11.357 -3.737 329 HD12 LEU 47 2HD1 LEU 47 8.271 -10.467 -2.396 330 HD13 LEU 47 3HD1 LEU 47 7.944 -9.649 -3.923 331 HD21 LEU 47 1HD2 LEU 47 5.608 -8.168 -3.583 332 HD22 LEU 47 2HD2 LEU 47 4.421 -9.464 -3.743 333 HD23 LEU 47 3HD2 LEU 47 5.863 -9.456 -4.762 334 H CYS 48 H CYS 48 6.175 -14.424 -3.166 335 HA CYS 48 HA CYS 48 3.835 -15.975 -2.478 336 HB2 CYS 48 2HB CYS 48 5.208 -17.871 -2.589 337 HB3 CYS 48 1HB CYS 48 5.972 -16.784 -3.748 338 HG CYS 48 HG CYS 48 7.507 -18.032 -1.722 339 H GLY 49 H GLY 49 4.210 -17.482 -0.381 340 HA2 GLY 49 2HA GLY 49 3.901 -15.854 1.827 341 HA3 GLY 49 1HA GLY 49 4.366 -17.548 1.909 342 H ASP 50 H ASP 50 6.817 -17.687 0.957 343 HA ASP 50 HA ASP 50 8.461 -16.819 3.016 344 HB2 ASP 50 2HB ASP 50 9.084 -17.707 0.203 345 HB3 ASP 50 1HB ASP 50 10.344 -17.331 1.372 346 H CYS 51 H CYS 51 7.736 -15.210 -0.005 347 HA CYS 51 HA CYS 51 9.702 -13.142 0.548 348 HB2 CYS 51 2HB CYS 51 8.068 -13.923 -1.796 349 HB3 CYS 51 1HB CYS 51 8.476 -12.215 -1.652 350 HG CYS 51 HG CYS 51 10.712 -14.380 -1.698 351 H SER 52 H SER 52 6.663 -13.768 1.593 352 HA SER 52 HA SER 52 6.125 -10.921 2.041 353 HB2 SER 52 2HB SER 52 3.800 -11.172 1.619 354 HB3 SER 52 1HB SER 52 4.604 -11.972 0.268 355 HG SER 52 HG SER 52 2.788 -13.080 1.506 356 H ARG 53 H ARG 53 7.416 -13.087 3.593 357 HA ARG 53 HA ARG 53 5.559 -13.737 5.699 358 HB2 ARG 53 2HB ARG 53 8.505 -14.237 5.313 359 HB3 ARG 53 1HB ARG 53 7.700 -14.608 6.831 360 HG2 ARG 53 2HG ARG 53 6.142 -16.077 5.534 361 HG3 ARG 53 1HG ARG 53 7.170 -15.803 4.128 362 HD2 ARG 53 2HD ARG 53 9.094 -16.677 5.413 363 HD3 ARG 53 1HD ARG 53 7.998 -17.052 6.740 364 HE ARG 53 HE ARG 53 8.269 -18.482 4.237 365 HH11 ARG 53 1HH1 ARG 53 6.334 -17.910 7.077 366 HH12 ARG 53 2HH1 ARG 53 5.483 -19.413 6.957 367 HH21 ARG 53 1HH2 ARG 53 7.153 -20.464 4.072 368 HH22 ARG 53 2HH2 ARG 53 5.953 -20.868 5.254 369 H HIS 54 H HIS 54 7.698 -11.124 4.981 370 HA HIS 54 HA HIS 54 8.091 -10.350 7.718 371 HB2 HIS 54 2HB HIS 54 8.631 -8.912 5.116 372 HB3 HIS 54 1HB HIS 54 9.035 -8.254 6.691 373 HD1 HIS 54 1HD HIS 54 10.782 -9.805 8.114 374 HD2 HIS 54 2HD HIS 54 10.576 -10.453 4.014 375 HE1 HIS 54 1HE HIS 54 12.894 -11.035 7.521 376 HE2 HIS 54 2HE HIS 54 12.731 -11.449 5.041 377 H ARG 55 H ARG 55 7.467 -8.180 8.481 378 HA ARG 55 HA ARG 55 4.973 -7.175 7.340 379 HB2 ARG 55 2HB ARG 55 5.301 -7.894 10.261 380 HB3 ARG 55 1HB ARG 55 3.911 -7.074 9.557 381 HG2 ARG 55 2HG ARG 55 3.504 -9.055 8.140 382 HG3 ARG 55 1HG ARG 55 4.827 -9.879 8.968 383 HD2 ARG 55 2HD ARG 55 2.261 -8.874 10.192 384 HD3 ARG 55 1HD ARG 55 2.734 -10.553 9.949 385 HE ARG 55 HE ARG 55 4.163 -10.402 11.770 386 HH11 ARG 55 1HH1 ARG 55 2.744 -7.301 11.052 387 HH12 ARG 55 2HH1 ARG 55 3.233 -6.588 12.552 388 HH21 ARG 55 1HH2 ARG 55 4.810 -9.468 13.745 389 HH22 ARG 55 2HH2 ARG 55 4.408 -7.817 14.080 390 H ALA 56 H ALA 56 4.766 -5.009 7.461 391 HA ALA 56 HA ALA 56 6.315 -3.431 9.331 392 HB1 ALA 56 1HB ALA 56 6.937 -3.197 6.392 393 HB2 ALA 56 2HB ALA 56 7.984 -3.934 7.605 394 HB3 ALA 56 3HB ALA 56 7.612 -2.212 7.691 395 H ALA 57 H ALA 57 5.791 -1.170 9.320 396 HA ALA 57 HA ALA 57 3.126 -0.658 8.253 397 HB1 ALA 57 1HB ALA 57 3.410 1.486 9.632 398 HB2 ALA 57 2HB ALA 57 4.853 0.718 10.296 399 HB3 ALA 57 3HB ALA 57 3.273 -0.036 10.514 400 H ILE 58 H ILE 58 2.692 1.236 6.971 401 HA ILE 58 HA ILE 58 5.068 2.367 5.663 402 HB ILE 58 HB ILE 58 2.528 1.905 4.153 403 HG12 ILE 58 2HG1 ILE 58 4.753 -0.129 4.436 404 HG13 ILE 58 1HG1 ILE 58 3.184 -0.255 5.226 405 HG21 ILE 58 1HG2 ILE 58 4.015 1.895 2.247 406 HG22 ILE 58 2HG2 ILE 58 5.423 1.939 3.304 407 HG23 ILE 58 3HG2 ILE 58 4.333 3.323 3.231 408 HD11 ILE 58 1HD1 ILE 58 3.838 -1.338 2.818 409 HD12 ILE 58 2HD1 ILE 58 3.017 0.149 2.343 410 HD13 ILE 58 3HD1 ILE 58 2.199 -1.018 3.381 411 HA PRO 59 HA PRO 59 2.402 5.735 7.396 412 HB2 PRO 59 2HB PRO 59 4.516 7.358 7.998 413 HB3 PRO 59 1HB PRO 59 3.863 6.139 9.096 414 HG2 PRO 59 2HG PRO 59 6.238 5.970 7.280 415 HG3 PRO 59 1HG PRO 59 6.067 5.411 8.955 416 HD2 PRO 59 2HD PRO 59 5.905 3.714 6.874 417 HD3 PRO 59 1HD PRO 59 4.914 3.500 8.332 418 H MET 60 H MET 60 4.511 5.486 4.689 419 HA MET 60 HA MET 60 4.043 8.237 3.846 420 HB2 MET 60 2HB MET 60 5.468 5.918 2.523 421 HB3 MET 60 1HB MET 60 5.327 7.525 1.825 422 HG2 MET 60 2HG MET 60 6.509 8.421 3.824 423 HG3 MET 60 1HG MET 60 6.772 6.759 4.348 424 HE1 MET 60 1HE MET 60 7.573 5.022 2.794 425 HE2 MET 60 2HE MET 60 9.161 5.216 2.051 426 HE3 MET 60 3HE MET 60 7.701 5.422 1.081 427 H ARG 61 H ARG 61 3.106 4.963 3.149 428 HA ARG 61 HA ARG 61 1.360 5.687 0.955 429 HB2 ARG 61 2HB ARG 61 1.625 3.058 2.416 430 HB3 ARG 61 1HB ARG 61 0.848 3.318 0.859 431 HG2 ARG 61 2HG ARG 61 3.772 3.742 1.441 432 HG3 ARG 61 1HG ARG 61 3.083 2.337 0.630 433 HD2 ARG 61 2HD ARG 61 2.837 5.173 -0.353 434 HD3 ARG 61 1HD ARG 61 4.052 4.025 -0.912 435 HE ARG 61 HE ARG 61 1.614 2.787 -1.258 436 HH11 ARG 61 1HH1 ARG 61 3.181 5.682 -2.398 437 HH12 ARG 61 2HH1 ARG 61 2.337 5.698 -3.910 438 HH21 ARG 61 1HH2 ARG 61 0.498 2.798 -3.244 439 HH22 ARG 61 2HH2 ARG 61 0.815 4.054 -4.393 440 H GLY 62 H GLY 62 1.155 6.095 4.158 441 HA2 GLY 62 2HA GLY 62 -0.749 6.968 5.262 442 HA3 GLY 62 1HA GLY 62 -1.770 6.151 4.088 443 H ILE 63 H ILE 63 0.628 4.070 5.148 444 HA ILE 63 HA ILE 63 -1.279 2.692 6.878 445 HB ILE 63 HB ILE 63 1.339 1.762 5.685 446 HG12 ILE 63 2HG1 ILE 63 -1.472 0.971 4.914 447 HG13 ILE 63 1HG1 ILE 63 -0.563 2.235 4.090 448 HG21 ILE 63 1HG2 ILE 63 -0.754 0.287 7.266 449 HG22 ILE 63 2HG2 ILE 63 0.945 0.523 7.678 450 HG23 ILE 63 3HG2 ILE 63 0.504 -0.510 6.316 451 HD11 ILE 63 1HD1 ILE 63 -0.578 -0.080 3.050 452 HD12 ILE 63 2HD1 ILE 63 0.498 -0.552 4.365 453 HD13 ILE 63 3HD1 ILE 63 0.986 0.713 3.235 454 H THR 64 H THR 64 -1.142 3.525 8.894 455 HA THR 64 HA THR 64 1.441 4.191 10.040 456 HB THR 64 HB THR 64 0.111 4.984 11.978 457 HG1 THR 64 1HG THR 64 -2.291 4.910 10.757 458 HG21 THR 64 1HG2 THR 64 0.540 6.415 9.920 459 HG22 THR 64 2HG2 THR 64 -0.769 6.907 10.997 460 HG23 THR 64 3HG2 THR 64 -1.137 6.075 9.485 461 H GLU 65 H GLU 65 -0.725 1.540 10.014 462 HA GLU 65 HA GLU 65 0.535 0.383 12.402 463 HB2 GLU 65 2HB GLU 65 -1.940 -0.445 10.867 464 HB3 GLU 65 1HB GLU 65 -1.281 -1.322 12.242 465 HG2 GLU 65 2HG GLU 65 -1.719 1.497 12.800 466 HG3 GLU 65 1HG GLU 65 -3.191 0.644 12.337 467 HA PRO 66 HA PRO 66 3.195 -2.030 9.875 468 HB2 PRO 66 2HB PRO 66 2.674 -4.217 11.835 469 HB3 PRO 66 1HB PRO 66 4.215 -3.551 11.282 470 HG2 PRO 66 2HG PRO 66 3.242 -2.954 13.699 471 HG3 PRO 66 1HG PRO 66 4.109 -1.749 12.730 472 HD2 PRO 66 2HD PRO 66 1.185 -2.013 13.254 473 HD3 PRO 66 1HD PRO 66 2.168 -0.550 13.035 474 H GLU 67 H GLU 67 2.667 -2.936 8.041 475 HA GLU 67 HA GLU 67 0.520 -4.944 7.974 476 HB2 GLU 67 2HB GLU 67 1.099 -2.790 5.934 477 HB3 GLU 67 1HB GLU 67 -0.064 -4.081 5.711 478 HG2 GLU 67 2HG GLU 67 -1.301 -3.251 7.688 479 HG3 GLU 67 1HG GLU 67 -0.177 -1.895 7.767 480 H ARG 68 H ARG 68 0.639 -6.304 5.953 481 HA ARG 68 HA ARG 68 3.195 -7.523 5.818 482 HB2 ARG 68 2HB ARG 68 2.162 -9.058 4.235 483 HB3 ARG 68 1HB ARG 68 1.118 -8.787 5.624 484 HG2 ARG 68 2HG ARG 68 -0.109 -7.087 4.223 485 HG3 ARG 68 1HG ARG 68 0.818 -7.682 2.844 486 HD2 ARG 68 2HD ARG 68 -0.053 -9.957 3.306 487 HD3 ARG 68 1HD ARG 68 -1.055 -9.278 4.586 488 HE ARG 68 HE ARG 68 -1.755 -7.815 2.426 489 HH11 ARG 68 1HH1 ARG 68 -1.534 -11.239 3.017 490 HH12 ARG 68 2HH1 ARG 68 -2.801 -11.645 1.908 491 HH21 ARG 68 1HH2 ARG 68 -3.426 -8.336 0.965 492 HH22 ARG 68 2HH2 ARG 68 -3.881 -9.992 0.744 493 H VAL 69 H VAL 69 4.755 -7.447 4.383 494 HA VAL 69 HA VAL 69 4.448 -6.060 1.826 495 HB VAL 69 HB VAL 69 6.517 -4.772 2.161 496 HG11 VAL 69 1HG1 VAL 69 5.536 -3.140 3.866 497 HG12 VAL 69 2HG1 VAL 69 4.188 -4.270 3.982 498 HG13 VAL 69 3HG1 VAL 69 4.569 -3.511 2.436 499 HG21 VAL 69 1HG2 VAL 69 7.142 -4.448 4.666 500 HG22 VAL 69 2HG2 VAL 69 7.760 -5.852 3.793 501 HG23 VAL 69 3HG2 VAL 69 6.379 -6.024 4.877 502 H CYS 70 H CYS 70 6.787 -6.174 0.742 503 HA CYS 70 HA CYS 70 7.569 -8.986 0.894 504 HB2 CYS 70 2HB CYS 70 8.248 -8.863 -1.309 505 HB3 CYS 70 1HB CYS 70 6.943 -7.688 -1.303 506 HG CYS 70 HG CYS 70 9.281 -6.898 -2.470 507 H ASP 71 H ASP 71 10.152 -8.818 -0.125 508 HA ASP 71 HA ASP 71 11.522 -7.988 2.273 509 HB2 ASP 71 2HB ASP 71 13.533 -8.965 1.231 510 HB3 ASP 71 1HB ASP 71 12.173 -10.081 1.203 511 H ALA 72 H ALA 72 11.553 -6.869 -1.105 512 HA ALA 72 HA ALA 72 13.615 -4.966 -0.697 513 HB1 ALA 72 1HB ALA 72 12.726 -3.949 -2.825 514 HB2 ALA 72 2HB ALA 72 11.484 -5.201 -2.807 515 HB3 ALA 72 3HB ALA 72 13.186 -5.648 -2.924 516 H CYS 73 H CYS 73 10.080 -4.661 -0.684 517 HA CYS 73 HA CYS 73 9.995 -1.883 -0.229 518 HB2 CYS 73 2HB CYS 73 7.944 -3.938 0.630 519 HB3 CYS 73 1HB CYS 73 7.671 -2.217 0.362 520 HG CYS 73 HG CYS 73 7.950 -2.610 -2.180 521 H TYR 74 H TYR 74 10.049 -4.659 1.958 522 HA TYR 74 HA TYR 74 9.643 -3.295 4.362 523 HB2 TYR 74 2HB TYR 74 9.679 -5.764 4.176 524 HB3 TYR 74 1HB TYR 74 11.411 -5.707 3.864 525 HD1 TYR 74 1HD TYR 74 8.797 -5.310 6.413 526 HD2 TYR 74 2HD TYR 74 12.983 -5.301 5.653 527 HE1 TYR 74 1HE TYR 74 9.231 -5.429 8.831 528 HE2 TYR 74 2HE TYR 74 13.429 -5.422 8.068 529 HH TYR 74 HH TYR 74 12.331 -6.100 10.115 530 H LEU 75 H LEU 75 12.543 -3.841 2.451 531 HA LEU 75 HA LEU 75 14.337 -2.622 4.302 532 HB2 LEU 75 2HB LEU 75 14.475 -3.644 1.520 533 HB3 LEU 75 1HB LEU 75 15.707 -2.501 2.015 534 HG LEU 75 HG LEU 75 15.126 -4.946 3.662 535 HD11 LEU 75 1HD1 LEU 75 15.726 -5.294 1.096 536 HD12 LEU 75 2HD1 LEU 75 16.373 -6.329 2.368 537 HD13 LEU 75 3HD1 LEU 75 17.355 -5.018 1.714 538 HD21 LEU 75 1HD2 LEU 75 16.813 -4.208 4.901 539 HD22 LEU 75 2HD2 LEU 75 16.848 -2.744 3.919 540 HD23 LEU 75 3HD2 LEU 75 17.866 -4.118 3.489 541 H ALA 76 H ALA 76 12.943 -1.476 1.217 542 HA ALA 76 HA ALA 76 14.168 0.983 1.104 543 HB1 ALA 76 1HB ALA 76 11.284 0.658 0.329 544 HB2 ALA 76 2HB ALA 76 12.579 -0.109 -0.589 545 HB3 ALA 76 3HB ALA 76 12.527 1.647 -0.437 546 H LEU 77 H LEU 77 11.105 0.197 2.739 547 HA LEU 77 HA LEU 77 10.729 2.810 3.790 548 HB2 LEU 77 2HB LEU 77 9.718 0.138 4.786 549 HB3 LEU 77 1HB LEU 77 9.167 1.693 5.373 550 HG LEU 77 HG LEU 77 8.896 0.857 2.488 551 HD11 LEU 77 1HD1 LEU 77 7.671 -0.756 3.765 552 HD12 LEU 77 2HD1 LEU 77 6.523 0.379 3.056 553 HD13 LEU 77 3HD1 LEU 77 6.953 0.507 4.763 554 HD21 LEU 77 1HD2 LEU 77 7.168 2.612 2.459 555 HD22 LEU 77 2HD2 LEU 77 8.759 3.252 2.880 556 HD23 LEU 77 3HD2 LEU 77 7.551 2.997 4.139 557 H ARG 78 H ARG 78 12.210 -0.140 4.931 558 HA ARG 78 HA ARG 78 12.926 0.550 7.521 559 HB2 ARG 78 2HB ARG 78 13.040 -1.712 6.620 560 HB3 ARG 78 1HB ARG 78 14.335 -1.235 5.535 561 HG2 ARG 78 2HG ARG 78 15.708 -0.707 7.563 562 HG3 ARG 78 1HG ARG 78 14.426 -1.450 8.520 563 HD2 ARG 78 2HD ARG 78 14.692 -3.523 7.199 564 HD3 ARG 78 1HD ARG 78 16.049 -2.776 6.358 565 HE ARG 78 HE ARG 78 16.541 -2.645 9.107 566 HH11 ARG 78 1HH1 ARG 78 16.249 -5.014 6.573 567 HH12 ARG 78 2HH1 ARG 78 17.325 -6.143 7.325 568 HH21 ARG 78 1HH2 ARG 78 17.963 -4.125 10.109 569 HH22 ARG 78 2HH2 ARG 78 18.299 -5.638 9.336 570 H SER 79 H SER 79 14.213 1.669 4.515 571 HA SER 79 HA SER 79 16.862 2.175 5.092 572 HB2 SER 79 2HB SER 79 14.999 3.995 3.551 573 HB3 SER 79 1HB SER 79 16.756 3.942 3.418 574 HG SER 79 HG SER 79 16.335 1.611 2.862 575 H SER 80 H SER 80 14.004 3.980 6.085 576 HA SER 80 HA SER 80 15.710 5.487 7.940 577 HB2 SER 80 2HB SER 80 15.177 6.947 6.010 578 HB3 SER 80 1HB SER 80 13.458 6.707 6.323 579 HG SER 80 HG SER 80 15.148 8.443 7.466 580 H ASN 81 H ASN 81 15.055 5.203 9.955 581 HA ASN 81 HA ASN 81 12.703 3.829 10.652 582 HB2 ASN 81 2HB ASN 81 14.772 3.937 12.045 583 HB3 ASN 81 1HB ASN 81 14.380 5.610 12.431 584 HD21 ASN 81 1HD2 ASN 81 13.083 2.327 12.586 585 HD22 ASN 81 2HD2 ASN 81 12.191 2.560 14.046 586 H MET 82 H MET 82 13.487 7.253 10.501 587 HA MET 82 HA MET 82 10.868 7.998 11.529 588 HB2 MET 82 2HB MET 82 13.229 9.658 10.632 589 HB3 MET 82 1HB MET 82 11.728 10.328 11.257 590 HG2 MET 82 2HG MET 82 12.113 9.090 13.367 591 HG3 MET 82 1HG MET 82 13.673 8.572 12.731 592 HE1 MET 82 1HE MET 82 15.676 11.867 12.467 593 HE2 MET 82 2HE MET 82 14.607 11.347 11.164 594 HE3 MET 82 3HE MET 82 15.565 10.157 12.047 595 H ALA 83 H ALA 83 9.203 8.727 10.334 596 HA ALA 83 HA ALA 83 9.149 8.241 7.548 597 HB1 ALA 83 1HB ALA 83 6.956 8.313 7.888 598 HB2 ALA 83 2HB ALA 83 7.042 10.014 8.347 599 HB3 ALA 83 3HB ALA 83 7.269 8.759 9.565 600 H GLY 84 H GLY 84 9.079 9.654 5.801 601 HA2 GLY 84 2HA GLY 84 8.856 12.118 5.225 602 HA3 GLY 84 1HA GLY 84 10.168 12.338 6.372 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 17.953 -1.424 -11.354 2 H2 GLY 1 2HT GLY 1 17.126 -1.747 -9.914 3 H3 GLY 1 3HT GLY 1 16.914 -2.756 -11.256 4 HA2 GLY 1 1HA GLY 1 18.708 -3.098 -9.195 5 HA3 GLY 1 2HA GLY 1 18.624 -4.019 -10.689 6 HA PRO 2 HA PRO 2 22.796 -2.123 -10.673 7 HB2 PRO 2 2HB PRO 2 24.055 -4.226 -11.803 8 HB3 PRO 2 1HB PRO 2 23.686 -4.165 -10.075 9 HG2 PRO 2 2HG PRO 2 22.224 -5.575 -12.276 10 HG3 PRO 2 1HG PRO 2 22.629 -6.158 -10.650 11 HD2 PRO 2 2HD PRO 2 20.170 -5.202 -11.315 12 HD3 PRO 2 1HD PRO 2 20.851 -5.070 -9.682 13 H LEU 3 H LEU 3 20.562 -3.024 -13.009 14 HA LEU 3 HA LEU 3 22.009 -2.875 -15.398 15 HB2 LEU 3 2HB LEU 3 19.160 -2.006 -14.904 16 HB3 LEU 3 1HB LEU 3 19.865 -2.395 -16.462 17 HG LEU 3 HG LEU 3 19.357 -4.309 -14.187 18 HD11 LEU 3 1HD1 LEU 3 17.916 -5.393 -15.950 19 HD12 LEU 3 2HD1 LEU 3 18.110 -3.914 -16.892 20 HD13 LEU 3 3HD1 LEU 3 17.332 -3.857 -15.310 21 HD21 LEU 3 1HD2 LEU 3 20.913 -4.598 -16.723 22 HD22 LEU 3 2HD2 LEU 3 20.057 -5.982 -16.042 23 HD23 LEU 3 3HD2 LEU 3 21.303 -5.163 -15.099 24 H GLY 4 H GLY 4 20.721 -0.375 -13.301 25 HA2 GLY 4 2HA GLY 4 21.547 1.822 -13.178 26 HA3 GLY 4 1HA GLY 4 22.301 1.603 -14.749 27 H SER 5 H SER 5 19.081 0.555 -14.681 28 HA SER 5 HA SER 5 18.214 3.079 -15.929 29 HB2 SER 5 2HB SER 5 18.331 1.222 -17.533 30 HB3 SER 5 1HB SER 5 17.259 0.265 -16.512 31 HG SER 5 HG SER 5 16.298 1.484 -18.343 32 H MET 6 H MET 6 16.184 3.893 -15.438 33 HA MET 6 HA MET 6 15.174 3.146 -12.844 34 HB2 MET 6 2HB MET 6 15.368 5.515 -13.595 35 HB3 MET 6 1HB MET 6 14.100 5.209 -14.776 36 HG2 MET 6 2HG MET 6 12.588 4.603 -12.902 37 HG3 MET 6 1HG MET 6 13.854 5.095 -11.781 38 HE1 MET 6 1HE MET 6 15.114 7.641 -13.210 39 HE2 MET 6 2HE MET 6 14.711 7.557 -11.495 40 HE3 MET 6 3HE MET 6 14.155 8.920 -12.465 41 H GLY 7 H GLY 7 13.560 1.805 -12.433 42 HA2 GLY 7 2HA GLY 7 12.066 0.658 -14.653 43 HA3 GLY 7 1HA GLY 7 12.087 0.073 -12.997 44 H GLU 8 H GLU 8 9.721 -0.083 -13.617 45 HA GLU 8 HA GLU 8 8.249 2.398 -13.615 46 HB2 GLU 8 2HB GLU 8 7.330 -0.479 -13.534 47 HB3 GLU 8 1HB GLU 8 6.246 0.902 -13.620 48 HG2 GLU 8 2HG GLU 8 7.297 1.561 -15.746 49 HG3 GLU 8 1HG GLU 8 8.307 0.119 -15.669 50 H LYS 9 H LYS 9 9.855 1.037 -11.212 51 HA LYS 9 HA LYS 9 8.006 0.719 -9.122 52 HB2 LYS 9 2HB LYS 9 10.886 1.647 -9.044 53 HB3 LYS 9 1HB LYS 9 9.947 1.206 -7.624 54 HG2 LYS 9 2HG LYS 9 9.673 -1.064 -8.546 55 HG3 LYS 9 1HG LYS 9 10.702 -0.610 -9.905 56 HD2 LYS 9 2HD LYS 9 12.504 -0.067 -8.277 57 HD3 LYS 9 1HD LYS 9 11.472 -0.695 -6.991 58 HE2 LYS 9 2HE LYS 9 12.019 -2.801 -7.471 59 HE3 LYS 9 1HE LYS 9 11.689 -2.565 -9.186 60 HZ1 LYS 9 1HZ LYS 9 13.895 -1.595 -9.433 61 HZ2 LYS 9 2HZ LYS 9 13.991 -3.169 -8.819 62 HZ3 LYS 9 3HZ LYS 9 14.211 -1.845 -7.790 63 H GLN 10 H GLN 10 8.903 3.425 -10.905 64 HA GLN 10 HA GLN 10 8.907 5.588 -9.252 65 HB2 GLN 10 2HB GLN 10 9.206 5.771 -11.644 66 HB3 GLN 10 1HB GLN 10 7.553 5.247 -11.933 67 HG2 GLN 10 2HG GLN 10 6.780 7.303 -10.749 68 HG3 GLN 10 1HG GLN 10 8.460 7.836 -10.698 69 HE21 GLN 10 1HE2 GLN 10 8.941 9.228 -12.227 70 HE22 GLN 10 2HE2 GLN 10 8.273 9.273 -13.820 71 H SER 11 H SER 11 6.154 3.614 -10.187 72 HA SER 11 HA SER 11 4.413 5.310 -8.523 73 HB2 SER 11 2HB SER 11 2.525 4.382 -9.745 74 HB3 SER 11 1HB SER 11 3.706 5.013 -10.892 75 HG SER 11 HG SER 11 2.967 2.954 -11.516 76 H LYS 12 H LYS 12 3.041 4.336 -6.984 77 HA LYS 12 HA LYS 12 3.717 1.555 -6.290 78 HB2 LYS 12 2HB LYS 12 3.398 3.896 -4.407 79 HB3 LYS 12 1HB LYS 12 3.538 2.220 -3.893 80 HG2 LYS 12 2HG LYS 12 5.752 2.108 -4.973 81 HG3 LYS 12 1HG LYS 12 5.611 3.820 -5.377 82 HD2 LYS 12 2HD LYS 12 5.384 4.317 -2.954 83 HD3 LYS 12 1HD LYS 12 5.667 2.609 -2.613 84 HE2 LYS 12 2HE LYS 12 7.812 3.282 -2.429 85 HE3 LYS 12 1HE LYS 12 7.788 3.127 -4.185 86 HZ1 LYS 12 1HZ LYS 12 6.871 5.631 -3.811 87 HZ2 LYS 12 2HZ LYS 12 8.480 5.234 -4.153 88 HZ3 LYS 12 3HZ LYS 12 7.994 5.491 -2.553 89 H GLY 13 H GLY 13 2.099 0.340 -5.235 90 HA2 GLY 13 2HA GLY 13 -0.086 0.043 -4.342 91 HA3 GLY 13 1HA GLY 13 -0.582 1.532 -5.131 92 H TYR 14 H TYR 14 1.143 0.038 -7.436 93 HA TYR 14 HA TYR 14 -1.232 -0.860 -8.798 94 HB2 TYR 14 2HB TYR 14 0.541 0.343 -10.001 95 HB3 TYR 14 1HB TYR 14 1.659 -0.975 -9.671 96 HD1 TYR 14 1HD TYR 14 -1.443 -0.075 -11.484 97 HD2 TYR 14 2HD TYR 14 1.698 -2.910 -11.033 98 HE1 TYR 14 1HE TYR 14 -2.170 -1.199 -13.549 99 HE2 TYR 14 2HE TYR 14 0.980 -4.040 -13.095 100 HH TYR 14 HH TYR 14 -1.999 -3.370 -14.621 101 H TRP 15 H TRP 15 -2.019 -2.845 -8.733 102 HA TRP 15 HA TRP 15 -0.418 -5.013 -7.600 103 HB2 TRP 15 2HB TRP 15 -2.550 -6.263 -7.543 104 HB3 TRP 15 1HB TRP 15 -2.658 -4.723 -6.696 105 HD1 TRP 15 HD TRP 15 -4.059 -6.603 -9.680 106 HE1 TRP 15 1HE TRP 15 -6.025 -5.265 -10.671 107 HE3 TRP 15 3HE TRP 15 -3.530 -2.277 -7.006 108 HZ2 TRP 15 2HZ TRP 15 -7.192 -2.716 -10.359 109 HZ3 TRP 15 3HZ TRP 15 -5.113 -0.438 -7.412 110 HH2 TRP 15 HH TRP 15 -6.905 -0.656 -9.055 111 H GLN 16 H GLN 16 0.662 -6.359 -8.865 112 HA GLN 16 HA GLN 16 0.115 -6.515 -11.713 113 HB2 GLN 16 2HB GLN 16 2.449 -6.464 -10.842 114 HB3 GLN 16 1HB GLN 16 2.157 -7.997 -10.033 115 HG2 GLN 16 2HG GLN 16 1.781 -9.064 -12.205 116 HG3 GLN 16 1HG GLN 16 2.100 -7.526 -13.007 117 HE21 GLN 16 1HE2 GLN 16 3.611 -9.520 -13.814 118 HE22 GLN 16 2HE2 GLN 16 5.212 -9.423 -13.174 119 H GLU 17 H GLU 17 -1.040 -7.960 -12.691 120 HA GLU 17 HA GLU 17 -2.723 -9.709 -11.365 121 HB2 GLU 17 2HB GLU 17 -1.861 -9.716 -14.257 122 HB3 GLU 17 1HB GLU 17 -3.221 -10.631 -13.618 123 HG2 GLU 17 2HG GLU 17 -4.278 -8.531 -12.907 124 HG3 GLU 17 1HG GLU 17 -2.931 -7.635 -13.607 125 H ASP 18 H ASP 18 -2.908 -11.968 -11.378 126 HA ASP 18 HA ASP 18 -0.713 -13.433 -10.492 127 HB2 ASP 18 2HB ASP 18 -3.205 -14.484 -11.837 128 HB3 ASP 18 1HB ASP 18 -2.122 -15.397 -10.793 129 H GLU 19 H GLU 19 -2.200 -13.374 -13.713 130 HA GLU 19 HA GLU 19 -0.494 -15.305 -14.854 131 HB2 GLU 19 2HB GLU 19 -2.164 -13.141 -16.121 132 HB3 GLU 19 1HB GLU 19 -1.327 -14.387 -17.031 133 HG2 GLU 19 2HG GLU 19 -2.626 -16.101 -15.837 134 HG3 GLU 19 1HG GLU 19 -3.497 -14.822 -14.992 135 H ASP 20 H ASP 20 -0.324 -11.769 -14.814 136 HA ASP 20 HA ASP 20 1.890 -11.587 -16.560 137 HB2 ASP 20 2HB ASP 20 0.855 -9.678 -14.456 138 HB3 ASP 20 1HB ASP 20 2.156 -9.285 -15.576 139 H ALA 21 H ALA 21 1.560 -12.060 -13.138 140 HA ALA 21 HA ALA 21 4.495 -12.180 -12.864 141 HB1 ALA 21 1HB ALA 21 3.558 -12.126 -10.300 142 HB2 ALA 21 2HB ALA 21 2.392 -11.104 -11.140 143 HB3 ALA 21 3HB ALA 21 4.113 -10.721 -11.207 144 HA PRO 22 HA PRO 22 2.998 -16.536 -12.407 145 HB2 PRO 22 2HB PRO 22 4.815 -17.663 -14.023 146 HB3 PRO 22 1HB PRO 22 3.374 -16.868 -14.664 147 HG2 PRO 22 2HG PRO 22 6.166 -15.805 -14.430 148 HG3 PRO 22 1HG PRO 22 5.052 -15.714 -15.808 149 HD2 PRO 22 2HD PRO 22 5.414 -13.661 -14.059 150 HD3 PRO 22 1HD PRO 22 3.879 -13.950 -14.903 151 H ALA 23 H ALA 23 5.893 -14.837 -11.832 152 HA ALA 23 HA ALA 23 6.749 -16.901 -9.921 153 HB1 ALA 23 1HB ALA 23 8.975 -15.433 -11.107 154 HB2 ALA 23 2HB ALA 23 8.108 -16.443 -12.265 155 HB3 ALA 23 3HB ALA 23 8.789 -17.161 -10.806 156 H CYS 24 H CYS 24 8.001 -16.059 -8.122 157 HA CYS 24 HA CYS 24 6.963 -13.710 -7.060 158 HB2 CYS 24 2HB CYS 24 8.109 -15.727 -5.912 159 HB3 CYS 24 1HB CYS 24 9.604 -14.838 -6.180 160 HG CYS 24 HG CYS 24 7.292 -13.668 -4.460 161 H ASN 25 H ASN 25 7.394 -11.666 -7.383 162 HA ASN 25 HA ASN 25 9.291 -10.719 -9.214 163 HB2 ASN 25 2HB ASN 25 7.735 -9.314 -7.037 164 HB3 ASN 25 1HB ASN 25 8.741 -8.463 -8.205 165 HD21 ASN 25 1HD2 ASN 25 8.209 -8.795 -10.497 166 HD22 ASN 25 2HD2 ASN 25 6.551 -9.005 -10.934 167 H GLY 26 H GLY 26 9.488 -11.334 -5.793 168 HA2 GLY 26 2HA GLY 26 11.926 -9.795 -5.493 169 HA3 GLY 26 1HA GLY 26 11.103 -10.696 -4.235 170 H CYS 27 H CYS 27 11.108 -13.259 -5.019 171 HA CYS 27 HA CYS 27 13.982 -13.818 -5.199 172 HB2 CYS 27 2HB CYS 27 13.524 -15.917 -4.089 173 HB3 CYS 27 1HB CYS 27 12.787 -14.601 -3.180 174 HG CYS 27 HG CYS 27 10.906 -16.235 -3.245 175 H GLY 28 H GLY 28 11.357 -13.880 -7.256 176 HA2 GLY 28 2HA GLY 28 11.182 -14.739 -9.375 177 HA3 GLY 28 1HA GLY 28 12.817 -15.353 -9.194 178 H CYS 29 H CYS 29 10.886 -16.488 -6.676 179 HA CYS 29 HA CYS 29 11.001 -19.155 -7.671 180 HB2 CYS 29 2HB CYS 29 10.081 -19.841 -5.620 181 HB3 CYS 29 1HB CYS 29 11.027 -18.412 -5.214 182 HG CYS 29 HG CYS 29 8.128 -17.702 -5.668 183 H VAL 30 H VAL 30 9.374 -20.492 -8.410 184 HA VAL 30 HA VAL 30 7.239 -19.126 -9.783 185 HB VAL 30 HB VAL 30 7.283 -22.082 -9.728 186 HG11 VAL 30 1HG1 VAL 30 5.779 -21.480 -11.282 187 HG12 VAL 30 2HG1 VAL 30 7.201 -21.325 -12.314 188 HG13 VAL 30 3HG1 VAL 30 6.516 -19.898 -11.536 189 HG21 VAL 30 1HG2 VAL 30 9.531 -20.399 -10.750 190 HG22 VAL 30 2HG2 VAL 30 9.092 -21.886 -11.591 191 HG23 VAL 30 3HG2 VAL 30 9.582 -21.943 -9.898 192 H PHE 31 H PHE 31 5.106 -19.171 -9.372 193 HA PHE 31 HA PHE 31 4.254 -20.085 -6.759 194 HB2 PHE 31 2HB PHE 31 2.715 -18.688 -8.961 195 HB3 PHE 31 1HB PHE 31 2.089 -19.031 -7.351 196 HD1 PHE 31 2HD PHE 31 3.233 -17.965 -5.367 197 HD2 PHE 31 1HD PHE 31 3.970 -16.767 -9.384 198 HE1 PHE 31 2HE PHE 31 4.154 -15.831 -4.558 199 HE2 PHE 31 1HE PHE 31 4.895 -14.632 -8.581 200 HZ PHE 31 HZ PHE 31 4.985 -14.163 -6.165 201 H THR 32 H THR 32 3.050 -21.787 -6.319 202 HA THR 32 HA THR 32 1.970 -23.385 -8.542 203 HB THR 32 HB THR 32 2.712 -25.419 -7.556 204 HG1 THR 32 1HG THR 32 3.173 -25.603 -5.517 205 HG21 THR 32 1HG2 THR 32 5.054 -25.296 -7.617 206 HG22 THR 32 2HG2 THR 32 5.059 -23.604 -7.124 207 HG23 THR 32 3HG2 THR 32 4.479 -24.052 -8.728 208 H THR 33 H THR 33 0.397 -25.094 -7.671 209 HA THR 33 HA THR 33 -1.827 -23.885 -6.598 210 HB THR 33 HB THR 33 -1.110 -26.800 -6.268 211 HG1 THR 33 1HG THR 33 -1.453 -27.021 -8.320 212 HG21 THR 33 1HG2 THR 33 -3.131 -26.065 -5.046 213 HG22 THR 33 2HG2 THR 33 -3.461 -27.234 -6.325 214 HG23 THR 33 3HG2 THR 33 -3.814 -25.525 -6.580 215 H THR 34 H THR 34 0.694 -25.685 -4.827 216 HA THR 34 HA THR 34 -0.617 -25.449 -2.333 217 HB THR 34 HB THR 34 2.335 -25.852 -2.895 218 HG1 THR 34 1HG THR 34 0.200 -27.670 -2.517 219 HG21 THR 34 1HG2 THR 34 1.405 -25.203 -0.486 220 HG22 THR 34 2HG2 THR 34 2.730 -26.340 -0.734 221 HG23 THR 34 3HG2 THR 34 1.096 -26.939 -0.452 222 H VAL 35 H VAL 35 1.664 -23.358 -4.041 223 HA VAL 35 HA VAL 35 1.829 -21.580 -1.745 224 HB VAL 35 HB VAL 35 3.015 -21.358 -4.506 225 HG11 VAL 35 1HG1 VAL 35 2.576 -19.149 -3.641 226 HG12 VAL 35 2HG1 VAL 35 4.308 -19.470 -3.585 227 HG13 VAL 35 3HG1 VAL 35 3.346 -19.562 -2.109 228 HG21 VAL 35 1HG2 VAL 35 5.011 -21.421 -2.553 229 HG22 VAL 35 2HG2 VAL 35 4.601 -22.693 -3.707 230 HG23 VAL 35 3HG2 VAL 35 3.866 -22.687 -2.104 231 H ARG 36 H ARG 36 0.235 -20.271 -1.385 232 HA ARG 36 HA ARG 36 -1.646 -19.408 -3.372 233 HB2 ARG 36 2HB ARG 36 -1.193 -18.476 -0.528 234 HB3 ARG 36 1HB ARG 36 -2.559 -18.012 -1.536 235 HG2 ARG 36 2HG ARG 36 -3.254 -20.357 -1.662 236 HG3 ARG 36 1HG ARG 36 -1.900 -20.805 -0.621 237 HD2 ARG 36 2HD ARG 36 -2.838 -19.240 1.101 238 HD3 ARG 36 1HD ARG 36 -4.262 -19.071 0.075 239 HE ARG 36 HE ARG 36 -3.724 -21.802 0.571 240 HH11 ARG 36 1HH1 ARG 36 -4.956 -18.933 2.102 241 HH12 ARG 36 2HH1 ARG 36 -5.966 -19.798 3.212 242 HH21 ARG 36 1HH2 ARG 36 -5.049 -22.959 2.023 243 HH22 ARG 36 2HH2 ARG 36 -6.027 -22.091 3.160 244 H ARG 37 H ARG 37 -1.896 -17.380 -4.260 245 HA ARG 37 HA ARG 37 0.563 -15.885 -4.549 246 HB2 ARG 37 2HB ARG 37 -0.958 -16.421 -6.471 247 HB3 ARG 37 1HB ARG 37 -2.133 -15.308 -5.782 248 HG2 ARG 37 2HG ARG 37 -0.470 -13.493 -5.979 249 HG3 ARG 37 1HG ARG 37 0.632 -14.626 -6.762 250 HD2 ARG 37 2HD ARG 37 -2.076 -13.753 -7.746 251 HD3 ARG 37 1HD ARG 37 -0.513 -13.332 -8.444 252 HE ARG 37 HE ARG 37 -1.967 -15.794 -8.791 253 HH11 ARG 37 1HH1 ARG 37 1.140 -14.238 -8.950 254 HH12 ARG 37 2HH1 ARG 37 1.825 -15.421 -10.011 255 HH21 ARG 37 1HH2 ARG 37 -1.080 -17.354 -10.196 256 HH22 ARG 37 2HH2 ARG 37 0.564 -17.195 -10.718 257 H HIS 38 H HIS 38 0.946 -13.808 -3.886 258 HA HIS 38 HA HIS 38 -1.160 -12.397 -2.449 259 HB2 HIS 38 2HB HIS 38 1.520 -13.092 -1.233 260 HB3 HIS 38 1HB HIS 38 0.369 -11.958 -0.536 261 HD1 HIS 38 1HD HIS 38 -2.062 -13.094 0.040 262 HD2 HIS 38 2HD HIS 38 1.185 -15.651 -0.403 263 HE1 HIS 38 1HE HIS 38 -2.742 -15.245 1.153 264 HE2 HIS 38 2HE HIS 38 -0.774 -16.789 0.843 265 H HIS 39 H HIS 39 -0.446 -10.181 -1.823 266 HA HIS 39 HA HIS 39 1.554 -9.109 -3.703 267 HB2 HIS 39 2HB HIS 39 -1.202 -7.994 -3.173 268 HB3 HIS 39 1HB HIS 39 0.050 -7.163 -4.092 269 HD1 HIS 39 1HD HIS 39 -2.448 -9.911 -4.325 270 HD2 HIS 39 2HD HIS 39 0.559 -8.234 -6.655 271 HE1 HIS 39 1HE HIS 39 -2.807 -10.821 -6.643 272 HE2 HIS 39 2HE HIS 39 -1.008 -9.750 -8.046 273 H CYS 40 H CYS 40 2.641 -7.224 -3.080 274 HA CYS 40 HA CYS 40 2.730 -6.775 -0.201 275 HB2 CYS 40 2HB CYS 40 4.862 -7.112 -1.294 276 HB3 CYS 40 1HB CYS 40 4.484 -5.890 -2.504 277 HG CYS 40 HG CYS 40 6.114 -5.011 -0.566 278 H ARG 41 H ARG 41 2.116 -4.909 0.753 279 HA ARG 41 HA ARG 41 0.270 -3.247 -0.608 280 HB2 ARG 41 2HB ARG 41 0.134 -3.879 1.789 281 HB3 ARG 41 1HB ARG 41 1.513 -2.839 2.111 282 HG2 ARG 41 2HG ARG 41 -0.462 -1.662 2.711 283 HG3 ARG 41 1HG ARG 41 0.185 -0.921 1.246 284 HD2 ARG 41 2HD ARG 41 -1.424 -2.207 -0.091 285 HD3 ARG 41 1HD ARG 41 -2.080 -2.909 1.386 286 HE ARG 41 HE ARG 41 -2.320 -0.254 1.817 287 HH11 ARG 41 1HH1 ARG 41 -3.245 -2.326 -0.822 288 HH12 ARG 41 2HH1 ARG 41 -4.626 -1.377 -1.255 289 HH21 ARG 41 1HH2 ARG 41 -4.136 1.006 1.257 290 HH22 ARG 41 2HH2 ARG 41 -5.132 0.521 -0.074 291 H ASN 42 H ASN 42 3.606 -3.114 -0.578 292 HA ASN 42 HA ASN 42 3.686 -0.195 -0.803 293 HB2 ASN 42 2HB ASN 42 5.815 -2.277 -0.369 294 HB3 ASN 42 1HB ASN 42 6.217 -0.628 -0.823 295 HD21 ASN 42 1HD2 ASN 42 6.124 -2.584 1.698 296 HD22 ASN 42 2HD2 ASN 42 5.730 -1.476 2.963 297 H CYS 43 H CYS 43 5.433 -2.824 -2.469 298 HA CYS 43 HA CYS 43 5.678 -1.220 -4.824 299 HB2 CYS 43 2HB CYS 43 6.833 -3.161 -5.781 300 HB3 CYS 43 1HB CYS 43 7.457 -2.750 -4.189 301 HG CYS 43 HG CYS 43 5.438 -4.917 -3.871 302 H GLY 44 H GLY 44 3.401 -3.571 -3.730 303 HA2 GLY 44 2HA GLY 44 1.385 -4.188 -4.675 304 HA3 GLY 44 1HA GLY 44 1.717 -3.067 -5.985 305 H TYR 45 H TYR 45 4.090 -5.450 -5.266 306 HA TYR 45 HA TYR 45 3.468 -6.809 -7.786 307 HB2 TYR 45 2HB TYR 45 5.967 -6.939 -6.089 308 HB3 TYR 45 1HB TYR 45 5.745 -7.721 -7.645 309 HD1 TYR 45 2HD TYR 45 4.449 -5.566 -9.204 310 HD2 TYR 45 1HD TYR 45 7.679 -5.403 -6.439 311 HE1 TYR 45 2HE TYR 45 5.311 -3.560 -10.337 312 HE2 TYR 45 1HE TYR 45 8.549 -3.400 -7.564 313 HH TYR 45 HH TYR 45 6.816 -1.536 -9.610 314 H VAL 46 H VAL 46 3.755 -9.149 -7.858 315 HA VAL 46 HA VAL 46 2.298 -10.347 -5.693 316 HB VAL 46 HB VAL 46 3.420 -11.591 -8.206 317 HG11 VAL 46 1HG1 VAL 46 3.146 -13.148 -6.213 318 HG12 VAL 46 2HG1 VAL 46 2.283 -13.591 -7.683 319 HG13 VAL 46 3HG1 VAL 46 1.415 -12.840 -6.346 320 HG21 VAL 46 1HG2 VAL 46 0.513 -11.266 -7.642 321 HG22 VAL 46 2HG2 VAL 46 1.368 -11.281 -9.184 322 HG23 VAL 46 3HG2 VAL 46 1.437 -9.853 -8.152 323 H LEU 47 H LEU 47 3.048 -11.495 -4.042 324 HA LEU 47 HA LEU 47 5.808 -12.508 -4.137 325 HB2 LEU 47 2HB LEU 47 4.500 -10.965 -1.896 326 HB3 LEU 47 1HB LEU 47 5.949 -11.920 -1.678 327 HG LEU 47 HG LEU 47 6.392 -9.511 -1.900 328 HD11 LEU 47 1HD1 LEU 47 7.586 -11.617 -3.485 329 HD12 LEU 47 2HD1 LEU 47 8.345 -10.367 -2.502 330 HD13 LEU 47 3HD1 LEU 47 7.863 -10.014 -4.162 331 HD21 LEU 47 1HD2 LEU 47 5.648 -8.228 -3.558 332 HD22 LEU 47 2HD2 LEU 47 4.501 -9.532 -3.859 333 HD23 LEU 47 3HD2 LEU 47 5.999 -9.445 -4.786 334 H CYS 48 H CYS 48 6.126 -14.467 -3.159 335 HA CYS 48 HA CYS 48 3.759 -15.999 -2.513 336 HB2 CYS 48 2HB CYS 48 5.172 -17.912 -2.457 337 HB3 CYS 48 1HB CYS 48 5.806 -16.907 -3.757 338 HG CYS 48 HG CYS 48 7.212 -17.410 -1.049 339 H GLY 49 H GLY 49 4.139 -17.510 -0.385 340 HA2 GLY 49 2HA GLY 49 3.791 -15.828 1.793 341 HA3 GLY 49 1HA GLY 49 4.223 -17.528 1.913 342 H ASP 50 H ASP 50 6.699 -17.704 0.968 343 HA ASP 50 HA ASP 50 8.317 -16.833 3.048 344 HB2 ASP 50 2HB ASP 50 8.969 -17.787 0.271 345 HB3 ASP 50 1HB ASP 50 10.227 -17.358 1.422 346 H CYS 51 H CYS 51 7.659 -15.247 -0.003 347 HA CYS 51 HA CYS 51 9.649 -13.199 0.541 348 HB2 CYS 51 2HB CYS 51 7.979 -13.951 -1.794 349 HB3 CYS 51 1HB CYS 51 8.439 -12.257 -1.654 350 HG CYS 51 HG CYS 51 10.985 -13.450 -1.427 351 H SER 52 H SER 52 6.607 -13.787 1.597 352 HA SER 52 HA SER 52 6.096 -10.936 2.047 353 HB2 SER 52 2HB SER 52 3.725 -11.236 1.705 354 HB3 SER 52 1HB SER 52 4.561 -11.848 0.277 355 HG SER 52 HG SER 52 4.367 -13.965 1.265 356 H ARG 53 H ARG 53 7.350 -13.136 3.596 357 HA ARG 53 HA ARG 53 5.479 -13.768 5.692 358 HB2 ARG 53 2HB ARG 53 8.418 -14.299 5.309 359 HB3 ARG 53 1HB ARG 53 7.625 -14.635 6.842 360 HG2 ARG 53 2HG ARG 53 6.024 -16.095 5.580 361 HG3 ARG 53 1HG ARG 53 7.053 -15.872 4.167 362 HD2 ARG 53 2HD ARG 53 8.948 -16.814 5.388 363 HD3 ARG 53 1HD ARG 53 7.922 -17.041 6.804 364 HE ARG 53 HE ARG 53 8.071 -18.727 4.508 365 HH11 ARG 53 1HH1 ARG 53 5.928 -17.559 6.997 366 HH12 ARG 53 2HH1 ARG 53 4.886 -18.941 6.930 367 HH21 ARG 53 1HH2 ARG 53 6.702 -20.553 4.414 368 HH22 ARG 53 2HH2 ARG 53 5.327 -20.643 5.465 369 H HIS 54 H HIS 54 7.624 -11.164 4.985 370 HA HIS 54 HA HIS 54 8.020 -10.385 7.717 371 HB2 HIS 54 2HB HIS 54 8.531 -8.951 5.110 372 HB3 HIS 54 1HB HIS 54 8.930 -8.275 6.681 373 HD1 HIS 54 1HD HIS 54 10.665 -9.871 8.118 374 HD2 HIS 54 2HD HIS 54 10.539 -10.370 3.993 375 HE1 HIS 54 1HE HIS 54 12.823 -11.009 7.512 376 HE2 HIS 54 2HE HIS 54 12.703 -11.348 5.018 377 H ARG 55 H ARG 55 7.414 -8.209 8.470 378 HA ARG 55 HA ARG 55 4.919 -7.184 7.355 379 HB2 ARG 55 2HB ARG 55 5.250 -7.939 10.266 380 HB3 ARG 55 1HB ARG 55 3.856 -7.114 9.571 381 HG2 ARG 55 2HG ARG 55 3.491 -9.085 8.107 382 HG3 ARG 55 1HG ARG 55 4.787 -9.910 8.974 383 HD2 ARG 55 2HD ARG 55 2.196 -8.893 10.127 384 HD3 ARG 55 1HD ARG 55 2.658 -10.578 9.885 385 HE ARG 55 HE ARG 55 4.527 -9.225 11.542 386 HH11 ARG 55 1HH1 ARG 55 1.363 -10.676 11.535 387 HH12 ARG 55 2HH1 ARG 55 1.383 -11.038 13.228 388 HH21 ARG 55 1HH2 ARG 55 4.566 -9.697 13.771 389 HH22 ARG 55 2HH2 ARG 55 3.204 -10.481 14.501 390 H ALA 56 H ALA 56 4.752 -5.019 7.466 391 HA ALA 56 HA ALA 56 6.284 -3.462 9.369 392 HB1 ALA 56 1HB ALA 56 7.475 -2.175 7.556 393 HB2 ALA 56 2HB ALA 56 7.045 -3.490 6.462 394 HB3 ALA 56 3HB ALA 56 8.065 -3.807 7.865 395 H ALA 57 H ALA 57 5.805 -1.192 9.336 396 HA ALA 57 HA ALA 57 3.152 -0.642 8.281 397 HB1 ALA 57 1HB ALA 57 4.950 0.947 10.116 398 HB2 ALA 57 2HB ALA 57 3.567 -0.037 10.593 399 HB3 ALA 57 3HB ALA 57 3.320 1.424 9.637 400 H ILE 58 H ILE 58 2.732 1.291 7.017 401 HA ILE 58 HA ILE 58 5.088 2.320 5.597 402 HB ILE 58 HB ILE 58 2.490 1.887 4.171 403 HG12 ILE 58 2HG1 ILE 58 4.694 -0.172 4.425 404 HG13 ILE 58 1HG1 ILE 58 3.130 -0.274 5.228 405 HG21 ILE 58 1HG2 ILE 58 5.348 1.864 3.219 406 HG22 ILE 58 2HG2 ILE 58 4.283 3.267 3.175 407 HG23 ILE 58 3HG2 ILE 58 3.900 1.837 2.220 408 HD11 ILE 58 1HD1 ILE 58 3.010 0.099 2.321 409 HD12 ILE 58 2HD1 ILE 58 2.091 -0.977 3.373 410 HD13 ILE 58 3HD1 ILE 58 3.717 -1.423 2.861 411 HA PRO 59 HA PRO 59 2.570 5.767 7.375 412 HB2 PRO 59 2HB PRO 59 4.725 7.335 7.933 413 HB3 PRO 59 1HB PRO 59 4.102 6.102 9.031 414 HG2 PRO 59 2HG PRO 59 6.398 5.939 7.115 415 HG3 PRO 59 1HG PRO 59 6.294 5.363 8.789 416 HD2 PRO 59 2HD PRO 59 6.022 3.694 6.693 417 HD3 PRO 59 1HD PRO 59 5.108 3.466 8.198 418 H MET 60 H MET 60 4.660 5.501 4.644 419 HA MET 60 HA MET 60 4.217 8.251 3.804 420 HB2 MET 60 2HB MET 60 5.553 5.897 2.449 421 HB3 MET 60 1HB MET 60 5.461 7.517 1.773 422 HG2 MET 60 2HG MET 60 6.706 8.350 3.756 423 HG3 MET 60 1HG MET 60 6.901 6.677 4.277 424 HE1 MET 60 1HE MET 60 7.689 8.273 0.348 425 HE2 MET 60 2HE MET 60 9.013 9.087 1.181 426 HE3 MET 60 3HE MET 60 7.355 9.288 1.751 427 H ARG 61 H ARG 61 3.167 4.999 3.136 428 HA ARG 61 HA ARG 61 1.399 5.766 0.972 429 HB2 ARG 61 2HB ARG 61 1.609 3.132 2.431 430 HB3 ARG 61 1HB ARG 61 0.820 3.416 0.885 431 HG2 ARG 61 2HG ARG 61 3.763 3.740 1.427 432 HG3 ARG 61 1HG ARG 61 3.011 2.360 0.623 433 HD2 ARG 61 2HD ARG 61 2.858 5.207 -0.350 434 HD3 ARG 61 1HD ARG 61 4.015 4.012 -0.934 435 HE ARG 61 HE ARG 61 1.590 2.821 -1.277 436 HH11 ARG 61 1HH1 ARG 61 3.002 5.841 -2.274 437 HH12 ARG 61 2HH1 ARG 61 2.074 5.944 -3.732 438 HH21 ARG 61 1HH2 ARG 61 0.362 2.942 -3.194 439 HH22 ARG 61 2HH2 ARG 61 0.574 4.293 -4.258 440 H GLY 62 H GLY 62 1.240 6.239 4.157 441 HA2 GLY 62 2HA GLY 62 -0.618 7.128 5.301 442 HA3 GLY 62 1HA GLY 62 -1.678 6.349 4.135 443 H ILE 63 H ILE 63 0.693 4.214 5.173 444 HA ILE 63 HA ILE 63 -1.234 2.871 6.911 445 HB ILE 63 HB ILE 63 1.349 1.865 5.699 446 HG12 ILE 63 2HG1 ILE 63 -1.482 1.209 4.877 447 HG13 ILE 63 1HG1 ILE 63 -0.510 2.447 4.090 448 HG21 ILE 63 1HG2 ILE 63 -0.826 0.443 7.215 449 HG22 ILE 63 2HG2 ILE 63 0.868 0.613 7.669 450 HG23 ILE 63 3HG2 ILE 63 0.426 -0.378 6.278 451 HD11 ILE 63 1HD1 ILE 63 -0.569 0.241 2.934 452 HD12 ILE 63 2HD1 ILE 63 0.323 -0.430 4.296 453 HD13 ILE 63 3HD1 ILE 63 1.046 0.838 3.309 454 H THR 64 H THR 64 -1.025 3.753 8.922 455 HA THR 64 HA THR 64 1.602 4.315 10.013 456 HB THR 64 HB THR 64 0.347 5.161 11.975 457 HG1 THR 64 1HG THR 64 -1.729 4.847 12.167 458 HG21 THR 64 1HG2 THR 64 -1.125 6.403 9.752 459 HG22 THR 64 2HG2 THR 64 0.636 6.413 9.626 460 HG23 THR 64 3HG2 THR 64 -0.153 7.136 11.029 461 H GLU 65 H GLU 65 -0.596 1.704 10.025 462 HA GLU 65 HA GLU 65 0.659 0.560 12.424 463 HB2 GLU 65 2HB GLU 65 -1.867 -0.141 10.923 464 HB3 GLU 65 1HB GLU 65 -1.172 -1.200 12.142 465 HG2 GLU 65 2HG GLU 65 -1.378 1.429 13.218 466 HG3 GLU 65 1HG GLU 65 -2.923 0.977 12.503 467 HA PRO 66 HA PRO 66 3.234 -1.968 9.925 468 HB2 PRO 66 2HB PRO 66 3.179 -4.314 11.433 469 HB3 PRO 66 1HB PRO 66 4.267 -2.952 11.710 470 HG2 PRO 66 2HG PRO 66 1.711 -3.648 13.083 471 HG3 PRO 66 1HG PRO 66 3.196 -2.951 13.756 472 HD2 PRO 66 2HD PRO 66 1.008 -1.456 13.282 473 HD3 PRO 66 1HD PRO 66 2.649 -0.809 13.068 474 H GLU 67 H GLU 67 2.672 -2.834 8.078 475 HA GLU 67 HA GLU 67 0.464 -4.776 8.003 476 HB2 GLU 67 2HB GLU 67 1.157 -2.672 5.942 477 HB3 GLU 67 1HB GLU 67 -0.085 -3.896 5.748 478 HG2 GLU 67 2HG GLU 67 -0.060 -1.744 7.848 479 HG3 GLU 67 1HG GLU 67 -1.024 -1.737 6.372 480 H ARG 68 H ARG 68 0.537 -6.142 5.975 481 HA ARG 68 HA ARG 68 3.052 -7.459 5.859 482 HB2 ARG 68 2HB ARG 68 1.968 -8.989 4.319 483 HB3 ARG 68 1HB ARG 68 0.921 -8.650 5.691 484 HG2 ARG 68 2HG ARG 68 -0.226 -6.938 4.235 485 HG3 ARG 68 1HG ARG 68 0.684 -7.614 2.881 486 HD2 ARG 68 2HD ARG 68 -0.278 -9.841 3.423 487 HD3 ARG 68 1HD ARG 68 -1.272 -9.068 4.656 488 HE ARG 68 HE ARG 68 -1.538 -7.957 2.002 489 HH11 ARG 68 1HH1 ARG 68 -2.721 -10.281 4.312 490 HH12 ARG 68 2HH1 ARG 68 -4.274 -10.428 3.560 491 HH21 ARG 68 1HH2 ARG 68 -3.580 -8.146 1.007 492 HH22 ARG 68 2HH2 ARG 68 -4.765 -9.211 1.687 493 H VAL 69 H VAL 69 4.608 -7.442 4.425 494 HA VAL 69 HA VAL 69 4.334 -6.094 1.845 495 HB VAL 69 HB VAL 69 6.417 -4.833 2.165 496 HG11 VAL 69 1HG1 VAL 69 5.462 -3.156 3.831 497 HG12 VAL 69 2HG1 VAL 69 4.105 -4.271 3.995 498 HG13 VAL 69 3HG1 VAL 69 4.473 -3.553 2.424 499 HG21 VAL 69 1HG2 VAL 69 7.108 -4.480 4.620 500 HG22 VAL 69 2HG2 VAL 69 7.615 -5.971 3.818 501 HG23 VAL 69 3HG2 VAL 69 6.245 -5.987 4.930 502 H CYS 70 H CYS 70 6.743 -6.238 0.834 503 HA CYS 70 HA CYS 70 7.456 -9.071 1.003 504 HB2 CYS 70 2HB CYS 70 8.219 -8.952 -1.188 505 HB3 CYS 70 1HB CYS 70 6.866 -7.830 -1.212 506 HG CYS 70 HG CYS 70 8.828 -6.675 -2.401 507 H ASP 71 H ASP 71 10.083 -8.828 -0.047 508 HA ASP 71 HA ASP 71 11.411 -8.013 2.391 509 HB2 ASP 71 2HB ASP 71 13.439 -8.989 1.371 510 HB3 ASP 71 1HB ASP 71 12.083 -10.111 1.380 511 H ALA 72 H ALA 72 11.454 -6.917 -0.992 512 HA ALA 72 HA ALA 72 13.527 -5.019 -0.592 513 HB1 ALA 72 1HB ALA 72 12.719 -4.041 -2.740 514 HB2 ALA 72 2HB ALA 72 11.393 -5.202 -2.711 515 HB3 ALA 72 3HB ALA 72 13.060 -5.769 -2.814 516 H CYS 73 H CYS 73 9.997 -4.714 -0.619 517 HA CYS 73 HA CYS 73 9.911 -1.933 -0.181 518 HB2 CYS 73 2HB CYS 73 7.862 -4.035 0.567 519 HB3 CYS 73 1HB CYS 73 7.569 -2.301 0.448 520 HG CYS 73 HG CYS 73 7.539 -2.445 -2.041 521 H TYR 74 H TYR 74 9.959 -4.703 2.012 522 HA TYR 74 HA TYR 74 9.512 -3.318 4.405 523 HB2 TYR 74 2HB TYR 74 9.556 -5.787 4.266 524 HB3 TYR 74 1HB TYR 74 11.289 -5.733 3.955 525 HD1 TYR 74 2HD TYR 74 8.674 -5.232 6.495 526 HD2 TYR 74 1HD TYR 74 12.859 -5.344 5.737 527 HE1 TYR 74 2HE TYR 74 9.107 -5.294 8.915 528 HE2 TYR 74 1HE TYR 74 13.301 -5.408 8.155 529 HH TYR 74 HH TYR 74 10.803 -4.882 10.496 530 H LEU 75 H LEU 75 12.430 -3.879 2.523 531 HA LEU 75 HA LEU 75 14.208 -2.636 4.372 532 HB2 LEU 75 2HB LEU 75 14.376 -3.656 1.588 533 HB3 LEU 75 1HB LEU 75 15.611 -2.533 2.120 534 HG LEU 75 HG LEU 75 14.969 -4.989 3.724 535 HD11 LEU 75 1HD1 LEU 75 17.311 -5.266 2.064 536 HD12 LEU 75 2HD1 LEU 75 15.855 -5.072 1.090 537 HD13 LEU 75 3HD1 LEU 75 15.951 -6.364 2.285 538 HD21 LEU 75 1HD2 LEU 75 16.383 -3.018 4.561 539 HD22 LEU 75 2HD2 LEU 75 17.602 -3.586 3.422 540 HD23 LEU 75 3HD2 LEU 75 17.052 -4.643 4.720 541 H ALA 76 H ALA 76 12.909 -1.543 1.225 542 HA ALA 76 HA ALA 76 14.112 0.916 1.106 543 HB1 ALA 76 1HB ALA 76 12.893 1.048 -0.754 544 HB2 ALA 76 2HB ALA 76 11.423 1.249 0.202 545 HB3 ALA 76 3HB ALA 76 11.976 -0.369 -0.237 546 H LEU 77 H LEU 77 11.048 0.116 2.707 547 HA LEU 77 HA LEU 77 10.621 2.730 3.745 548 HB2 LEU 77 2HB LEU 77 9.633 0.047 4.726 549 HB3 LEU 77 1HB LEU 77 9.051 1.595 5.300 550 HG LEU 77 HG LEU 77 8.829 0.684 2.433 551 HD11 LEU 77 1HD1 LEU 77 6.837 0.527 4.686 552 HD12 LEU 77 2HD1 LEU 77 7.522 -0.811 3.761 553 HD13 LEU 77 3HD1 LEU 77 6.433 0.333 2.980 554 HD21 LEU 77 1HD2 LEU 77 8.717 3.035 2.501 555 HD22 LEU 77 2HD2 LEU 77 7.752 3.027 3.979 556 HD23 LEU 77 3HD2 LEU 77 7.038 2.492 2.457 557 H ARG 78 H ARG 78 12.130 -0.200 4.917 558 HA ARG 78 HA ARG 78 12.758 0.496 7.520 559 HB2 ARG 78 2HB ARG 78 13.020 -1.754 6.573 560 HB3 ARG 78 1HB ARG 78 14.344 -1.185 5.571 561 HG2 ARG 78 2HG ARG 78 15.563 -0.614 7.687 562 HG3 ARG 78 1HG ARG 78 14.280 -1.461 8.551 563 HD2 ARG 78 2HD ARG 78 14.762 -3.490 7.245 564 HD3 ARG 78 1HD ARG 78 16.082 -2.641 6.443 565 HE ARG 78 HE ARG 78 17.373 -2.966 8.306 566 HH11 ARG 78 1HH1 ARG 78 14.037 -3.558 9.089 567 HH12 ARG 78 2HH1 ARG 78 14.377 -4.163 10.675 568 HH21 ARG 78 1HH2 ARG 78 17.843 -3.764 10.395 569 HH22 ARG 78 2HH2 ARG 78 16.546 -4.283 11.418 570 H SER 79 H SER 79 14.046 1.753 4.577 571 HA SER 79 HA SER 79 16.440 2.751 5.933 572 HB2 SER 79 2HB SER 79 16.688 1.747 3.673 573 HB3 SER 79 1HB SER 79 15.638 3.006 3.024 574 HG SER 79 HG SER 79 17.442 4.300 4.346 575 H SER 80 H SER 80 15.266 4.193 7.311 576 HA SER 80 HA SER 80 14.379 6.632 5.916 577 HB2 SER 80 2HB SER 80 13.301 5.508 8.516 578 HB3 SER 80 1HB SER 80 12.801 7.025 7.770 579 HG SER 80 HG SER 80 11.562 5.946 6.464 580 H ASN 81 H ASN 81 14.955 8.615 6.830 581 HA ASN 81 HA ASN 81 17.473 8.775 8.004 582 HB2 ASN 81 2HB ASN 81 16.250 10.596 6.741 583 HB3 ASN 81 1HB ASN 81 15.344 10.906 8.219 584 HD21 ASN 81 1HD2 ASN 81 16.319 13.054 7.925 585 HD22 ASN 81 2HD2 ASN 81 17.886 13.339 8.596 586 H MET 82 H MET 82 14.278 8.736 9.479 587 HA MET 82 HA MET 82 15.374 9.192 12.130 588 HB2 MET 82 2HB MET 82 12.547 8.601 11.229 589 HB3 MET 82 1HB MET 82 13.021 9.004 12.874 590 HG2 MET 82 2HG MET 82 13.265 10.779 10.457 591 HG3 MET 82 1HG MET 82 12.090 10.934 11.761 592 HE1 MET 82 1HE MET 82 13.869 10.328 14.361 593 HE2 MET 82 2HE MET 82 12.678 11.621 14.212 594 HE3 MET 82 3HE MET 82 14.304 11.983 14.789 595 H ALA 83 H ALA 83 15.841 7.661 13.584 596 HA ALA 83 HA ALA 83 16.089 4.969 12.851 597 HB1 ALA 83 1HB ALA 83 17.253 6.316 14.738 598 HB2 ALA 83 2HB ALA 83 16.939 4.595 14.973 599 HB3 ALA 83 3HB ALA 83 15.885 5.796 15.719 600 H GLY 84 H GLY 84 14.885 3.151 13.274 601 HA2 GLY 84 2HA GLY 84 12.937 2.483 14.901 602 HA3 GLY 84 1HA GLY 84 12.071 3.651 13.916 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 7.016 3.425 -25.972 2 H2 GLY 1 2HT GLY 1 7.331 2.906 -27.551 3 H3 GLY 1 3HT GLY 1 7.930 2.027 -26.236 4 HA2 GLY 1 1HA GLY 1 5.126 2.273 -27.149 5 HA3 GLY 1 2HA GLY 1 6.089 0.809 -27.009 6 HA PRO 2 HA PRO 2 4.951 2.350 -22.468 7 HB2 PRO 2 2HB PRO 2 2.576 3.776 -22.529 8 HB3 PRO 2 1HB PRO 2 4.183 4.490 -22.361 9 HG2 PRO 2 2HG PRO 2 2.481 4.201 -24.801 10 HG3 PRO 2 1HG PRO 2 3.505 5.560 -24.300 11 HD2 PRO 2 2HD PRO 2 4.295 3.845 -26.197 12 HD3 PRO 2 1HD PRO 2 5.449 4.523 -25.028 13 H LEU 3 H LEU 3 3.667 1.075 -21.186 14 HA LEU 3 HA LEU 3 2.253 -1.039 -22.380 15 HB2 LEU 3 2HB LEU 3 2.166 -0.065 -19.526 16 HB3 LEU 3 1HB LEU 3 1.562 -1.613 -20.082 17 HG LEU 3 HG LEU 3 4.432 -0.694 -20.010 18 HD11 LEU 3 1HD1 LEU 3 3.835 -3.239 -18.815 19 HD12 LEU 3 2HD1 LEU 3 2.811 -1.977 -18.131 20 HD13 LEU 3 3HD1 LEU 3 4.565 -1.803 -18.095 21 HD21 LEU 3 1HD2 LEU 3 4.451 -1.908 -21.966 22 HD22 LEU 3 2HD2 LEU 3 3.131 -2.959 -21.452 23 HD23 LEU 3 3HD2 LEU 3 4.744 -3.172 -20.771 24 H GLY 4 H GLY 4 1.177 2.021 -21.020 25 HA2 GLY 4 2HA GLY 4 -0.805 3.127 -21.637 26 HA3 GLY 4 1HA GLY 4 -1.428 1.610 -22.270 27 H SER 5 H SER 5 -0.064 1.216 -19.213 28 HA SER 5 HA SER 5 -2.533 0.533 -18.017 29 HB2 SER 5 2HB SER 5 -0.397 -0.488 -17.335 30 HB3 SER 5 1HB SER 5 0.142 1.067 -16.705 31 HG SER 5 HG SER 5 -1.423 -0.793 -15.538 32 H MET 6 H MET 6 -3.531 1.501 -16.157 33 HA MET 6 HA MET 6 -4.071 4.217 -16.434 34 HB2 MET 6 2HB MET 6 -4.436 2.416 -14.034 35 HB3 MET 6 1HB MET 6 -5.118 4.031 -14.169 36 HG2 MET 6 2HG MET 6 -5.749 1.645 -15.886 37 HG3 MET 6 1HG MET 6 -6.803 2.421 -14.706 38 HE1 MET 6 1HE MET 6 -6.522 5.986 -16.148 39 HE2 MET 6 2HE MET 6 -6.792 4.973 -14.729 40 HE3 MET 6 3HE MET 6 -8.127 5.325 -15.828 41 H GLY 7 H GLY 7 -1.618 2.559 -14.582 42 HA2 GLY 7 2HA GLY 7 0.437 3.808 -14.155 43 HA3 GLY 7 1HA GLY 7 -0.567 5.194 -13.762 44 H GLU 8 H GLU 8 1.469 4.133 -12.110 45 HA GLU 8 HA GLU 8 0.045 2.756 -9.964 46 HB2 GLU 8 2HB GLU 8 2.975 3.452 -10.241 47 HB3 GLU 8 1HB GLU 8 2.271 2.516 -8.929 48 HG2 GLU 8 2HG GLU 8 1.549 0.822 -10.568 49 HG3 GLU 8 1HG GLU 8 2.354 1.743 -11.836 50 H LYS 9 H LYS 9 -0.141 5.729 -10.787 51 HA LYS 9 HA LYS 9 0.917 7.294 -8.716 52 HB2 LYS 9 2HB LYS 9 -0.108 8.198 -10.811 53 HB3 LYS 9 1HB LYS 9 -1.691 7.751 -10.187 54 HG2 LYS 9 2HG LYS 9 -1.388 9.273 -8.306 55 HG3 LYS 9 1HG LYS 9 0.207 9.714 -8.916 56 HD2 LYS 9 2HD LYS 9 -0.868 10.532 -10.996 57 HD3 LYS 9 1HD LYS 9 -2.444 10.185 -10.280 58 HE2 LYS 9 2HE LYS 9 -2.275 11.899 -8.749 59 HE3 LYS 9 1HE LYS 9 -0.513 11.900 -8.788 60 HZ1 LYS 9 1HZ LYS 9 -0.599 12.890 -10.992 61 HZ2 LYS 9 2HZ LYS 9 -1.422 13.855 -9.873 62 HZ3 LYS 9 3HZ LYS 9 -2.291 12.887 -10.954 63 H GLN 10 H GLN 10 -1.551 4.965 -8.779 64 HA GLN 10 HA GLN 10 -3.233 5.800 -6.697 65 HB2 GLN 10 2HB GLN 10 -3.826 4.005 -8.222 66 HB3 GLN 10 1HB GLN 10 -2.467 3.037 -7.662 67 HG2 GLN 10 2HG GLN 10 -3.497 2.876 -5.453 68 HG3 GLN 10 1HG GLN 10 -4.859 3.845 -6.017 69 HE21 GLN 10 1HE2 GLN 10 -3.400 0.739 -5.955 70 HE22 GLN 10 2HE2 GLN 10 -4.642 -0.109 -6.804 71 H SER 11 H SER 11 -2.928 5.904 -4.555 72 HA SER 11 HA SER 11 -0.417 5.393 -3.373 73 HB2 SER 11 2HB SER 11 -1.498 5.956 -1.262 74 HB3 SER 11 1HB SER 11 -2.037 7.068 -2.519 75 HG SER 11 HG SER 11 -3.786 5.256 -2.683 76 H LYS 12 H LYS 12 -3.361 3.515 -3.616 77 HA LYS 12 HA LYS 12 -2.825 1.568 -1.677 78 HB2 LYS 12 2HB LYS 12 -5.011 1.888 -2.805 79 HB3 LYS 12 1HB LYS 12 -4.321 1.226 -4.280 80 HG2 LYS 12 2HG LYS 12 -3.912 -0.897 -3.111 81 HG3 LYS 12 1HG LYS 12 -4.674 -0.224 -1.667 82 HD2 LYS 12 2HD LYS 12 -6.745 0.127 -2.973 83 HD3 LYS 12 1HD LYS 12 -5.974 -0.650 -4.357 84 HE2 LYS 12 2HE LYS 12 -5.662 -2.342 -2.097 85 HE3 LYS 12 1HE LYS 12 -7.353 -1.852 -2.187 86 HZ1 LYS 12 1HZ LYS 12 -7.640 -2.873 -4.197 87 HZ2 LYS 12 2HZ LYS 12 -6.500 -3.914 -3.505 88 HZ3 LYS 12 3HZ LYS 12 -6.010 -2.755 -4.635 89 H GLY 13 H GLY 13 -1.827 1.842 -5.040 90 HA2 GLY 13 2HA GLY 13 0.319 0.924 -5.692 91 HA3 GLY 13 1HA GLY 13 0.020 -0.414 -4.591 92 H TYR 14 H TYR 14 0.624 -0.316 -7.517 93 HA TYR 14 HA TYR 14 -1.790 -1.205 -8.810 94 HB2 TYR 14 2HB TYR 14 -0.060 -0.020 -10.077 95 HB3 TYR 14 1HB TYR 14 1.073 -1.333 -9.770 96 HD1 TYR 14 2HD TYR 14 -1.963 -0.344 -11.598 97 HD2 TYR 14 1HD TYR 14 0.940 -3.395 -10.999 98 HE1 TYR 14 2HE TYR 14 -2.768 -1.497 -13.615 99 HE2 TYR 14 1HE TYR 14 0.143 -4.558 -13.015 100 HH TYR 14 HH TYR 14 -1.286 -3.481 -15.320 101 H TRP 15 H TRP 15 -2.582 -3.189 -8.761 102 HA TRP 15 HA TRP 15 -1.015 -5.345 -7.594 103 HB2 TRP 15 2HB TRP 15 -3.101 -6.584 -7.527 104 HB3 TRP 15 1HB TRP 15 -3.358 -4.968 -6.880 105 HD1 TRP 15 HD TRP 15 -4.411 -7.259 -9.713 106 HE1 TRP 15 1HE TRP 15 -6.322 -6.149 -11.033 107 HE3 TRP 15 3HE TRP 15 -4.273 -2.610 -7.590 108 HZ2 TRP 15 2HZ TRP 15 -7.602 -3.635 -11.156 109 HZ3 TRP 15 3HZ TRP 15 -5.874 -0.911 -8.365 110 HH2 TRP 15 HH TRP 15 -7.505 -1.415 -10.113 111 H GLN 16 H GLN 16 0.170 -6.649 -8.820 112 HA GLN 16 HA GLN 16 -0.319 -6.864 -11.682 113 HB2 GLN 16 2HB GLN 16 1.999 -6.639 -10.762 114 HB3 GLN 16 1HB GLN 16 1.801 -8.202 -9.981 115 HG2 GLN 16 2HG GLN 16 1.544 -9.266 -12.160 116 HG3 GLN 16 1HG GLN 16 1.722 -7.699 -12.949 117 HE21 GLN 16 1HE2 GLN 16 3.397 -9.559 -13.766 118 HE22 GLN 16 2HE2 GLN 16 4.987 -9.320 -13.134 119 H GLU 17 H GLU 17 -1.394 -8.406 -12.621 120 HA GLU 17 HA GLU 17 -2.955 -10.213 -11.231 121 HB2 GLU 17 2HB GLU 17 -2.141 -10.204 -14.130 122 HB3 GLU 17 1HB GLU 17 -3.376 -11.264 -13.465 123 HG2 GLU 17 2HG GLU 17 -3.431 -8.256 -13.506 124 HG3 GLU 17 1HG GLU 17 -4.393 -9.343 -14.506 125 H ASP 18 H ASP 18 -3.035 -12.461 -11.198 126 HA ASP 18 HA ASP 18 -0.774 -13.832 -10.306 127 HB2 ASP 18 2HB ASP 18 -3.279 -14.414 -10.108 128 HB3 ASP 18 1HB ASP 18 -3.083 -15.186 -11.675 129 H GLU 19 H GLU 19 -2.306 -13.840 -13.499 130 HA GLU 19 HA GLU 19 -0.535 -15.692 -14.675 131 HB2 GLU 19 2HB GLU 19 -2.341 -13.604 -15.883 132 HB3 GLU 19 1HB GLU 19 -1.435 -14.766 -16.840 133 HG2 GLU 19 2HG GLU 19 -2.607 -16.596 -15.713 134 HG3 GLU 19 1HG GLU 19 -3.526 -15.421 -14.776 135 H ASP 20 H ASP 20 -0.521 -12.149 -14.590 136 HA ASP 20 HA ASP 20 1.684 -11.872 -16.350 137 HB2 ASP 20 2HB ASP 20 0.545 -9.986 -14.274 138 HB3 ASP 20 1HB ASP 20 1.813 -9.543 -15.412 139 H ALA 21 H ALA 21 1.339 -12.277 -12.915 140 HA ALA 21 HA ALA 21 4.271 -12.238 -12.600 141 HB1 ALA 21 1HB ALA 21 2.750 -10.652 -11.242 142 HB2 ALA 21 2HB ALA 21 4.024 -11.533 -10.396 143 HB3 ALA 21 3HB ALA 21 2.353 -12.091 -10.303 144 HA PRO 22 HA PRO 22 3.022 -16.665 -12.120 145 HB2 PRO 22 2HB PRO 22 4.846 -17.706 -13.775 146 HB3 PRO 22 1HB PRO 22 3.367 -16.959 -14.387 147 HG2 PRO 22 2HG PRO 22 6.122 -15.799 -14.192 148 HG3 PRO 22 1HG PRO 22 4.982 -15.738 -15.550 149 HD2 PRO 22 2HD PRO 22 5.304 -13.693 -13.776 150 HD3 PRO 22 1HD PRO 22 3.777 -14.014 -14.621 151 H ALA 23 H ALA 23 5.872 -14.849 -11.609 152 HA ALA 23 HA ALA 23 6.821 -16.859 -9.693 153 HB1 ALA 23 1HB ALA 23 9.179 -15.805 -10.569 154 HB2 ALA 23 2HB ALA 23 8.247 -15.901 -12.064 155 HB3 ALA 23 3HB ALA 23 8.506 -17.348 -11.089 156 H CYS 24 H CYS 24 8.161 -15.981 -7.985 157 HA CYS 24 HA CYS 24 7.164 -13.630 -6.893 158 HB2 CYS 24 2HB CYS 24 8.735 -15.711 -6.026 159 HB3 CYS 24 1HB CYS 24 9.846 -14.348 -5.968 160 HG CYS 24 HG CYS 24 8.262 -14.806 -3.751 161 H ASN 25 H ASN 25 7.588 -11.578 -7.193 162 HA ASN 25 HA ASN 25 9.405 -10.625 -9.116 163 HB2 ASN 25 2HB ASN 25 7.940 -9.219 -6.877 164 HB3 ASN 25 1HB ASN 25 8.875 -8.377 -8.107 165 HD21 ASN 25 1HD2 ASN 25 6.042 -10.300 -7.475 166 HD22 ASN 25 2HD2 ASN 25 5.213 -9.918 -8.943 167 H GLY 26 H GLY 26 9.697 -11.273 -5.713 168 HA2 GLY 26 2HA GLY 26 12.165 -9.762 -5.474 169 HA3 GLY 26 1HA GLY 26 11.354 -10.641 -4.192 170 H CYS 27 H CYS 27 11.278 -13.204 -4.976 171 HA CYS 27 HA CYS 27 14.131 -13.829 -5.224 172 HB2 CYS 27 2HB CYS 27 13.664 -15.904 -4.096 173 HB3 CYS 27 1HB CYS 27 12.932 -14.588 -3.186 174 HG CYS 27 HG CYS 27 11.439 -16.912 -3.845 175 H GLY 28 H GLY 28 11.467 -13.807 -7.231 176 HA2 GLY 28 2HA GLY 28 11.207 -14.657 -9.339 177 HA3 GLY 28 1HA GLY 28 12.841 -15.285 -9.217 178 H CYS 29 H CYS 29 10.852 -16.391 -6.683 179 HA CYS 29 HA CYS 29 10.972 -19.063 -7.693 180 HB2 CYS 29 2HB CYS 29 10.111 -19.768 -5.641 181 HB3 CYS 29 1HB CYS 29 10.997 -18.308 -5.221 182 HG CYS 29 HG CYS 29 8.657 -18.283 -4.055 183 H VAL 30 H VAL 30 9.343 -20.380 -8.430 184 HA VAL 30 HA VAL 30 7.194 -19.012 -9.775 185 HB VAL 30 HB VAL 30 6.663 -21.684 -10.136 186 HG11 VAL 30 1HG1 VAL 30 8.600 -20.167 -11.853 187 HG12 VAL 30 2HG1 VAL 30 6.892 -19.738 -11.761 188 HG13 VAL 30 3HG1 VAL 30 7.370 -21.334 -12.340 189 HG21 VAL 30 1HG2 VAL 30 8.719 -22.269 -8.895 190 HG22 VAL 30 2HG2 VAL 30 9.662 -21.369 -10.082 191 HG23 VAL 30 3HG2 VAL 30 8.758 -22.800 -10.576 192 H PHE 31 H PHE 31 5.064 -19.033 -9.335 193 HA PHE 31 HA PHE 31 4.253 -19.936 -6.709 194 HB2 PHE 31 2HB PHE 31 2.733 -18.508 -8.903 195 HB3 PHE 31 1HB PHE 31 2.067 -18.886 -7.316 196 HD1 PHE 31 2HD PHE 31 3.045 -17.829 -5.292 197 HD2 PHE 31 1HD PHE 31 4.153 -16.650 -9.226 198 HE1 PHE 31 2HE PHE 31 3.977 -15.736 -4.398 199 HE2 PHE 31 1HE PHE 31 5.089 -14.557 -8.339 200 HZ PHE 31 HZ PHE 31 5.002 -14.098 -5.922 201 H THR 32 H THR 32 3.038 -21.631 -6.243 202 HA THR 32 HA THR 32 2.030 -23.279 -8.469 203 HB THR 32 HB THR 32 2.716 -25.279 -7.356 204 HG1 THR 32 1HG THR 32 3.809 -23.772 -5.238 205 HG21 THR 32 1HG2 THR 32 4.526 -23.688 -8.446 206 HG22 THR 32 2HG2 THR 32 4.960 -25.204 -7.656 207 HG23 THR 32 3HG2 THR 32 5.140 -23.675 -6.794 208 H THR 33 H THR 33 0.429 -24.952 -7.682 209 HA THR 33 HA THR 33 -1.875 -23.791 -6.749 210 HB THR 33 HB THR 33 -1.071 -26.671 -6.306 211 HG1 THR 33 1HG THR 33 -2.446 -26.687 -8.393 212 HG21 THR 33 1HG2 THR 33 -3.488 -27.102 -6.651 213 HG22 THR 33 2HG2 THR 33 -3.764 -25.363 -6.562 214 HG23 THR 33 3HG2 THR 33 -3.115 -26.226 -5.166 215 H THR 34 H THR 34 0.607 -25.452 -4.806 216 HA THR 34 HA THR 34 -0.832 -25.194 -2.382 217 HB THR 34 HB THR 34 2.162 -25.491 -2.723 218 HG1 THR 34 1HG THR 34 1.304 -27.209 -3.744 219 HG21 THR 34 1HG2 THR 34 2.175 -26.526 -0.571 220 HG22 THR 34 2HG2 THR 34 0.422 -26.387 -0.442 221 HG23 THR 34 3HG2 THR 34 1.425 -24.936 -0.427 222 H VAL 35 H VAL 35 1.557 -23.121 -3.986 223 HA VAL 35 HA VAL 35 1.570 -21.292 -1.734 224 HB VAL 35 HB VAL 35 2.873 -21.011 -4.440 225 HG11 VAL 35 1HG1 VAL 35 4.169 -19.224 -3.424 226 HG12 VAL 35 2HG1 VAL 35 3.302 -19.440 -1.904 227 HG13 VAL 35 3HG1 VAL 35 2.445 -18.866 -3.336 228 HG21 VAL 35 1HG2 VAL 35 4.324 -22.527 -3.682 229 HG22 VAL 35 2HG2 VAL 35 3.613 -22.502 -2.068 230 HG23 VAL 35 3HG2 VAL 35 4.837 -21.310 -2.512 231 H ARG 36 H ARG 36 -0.027 -19.987 -1.460 232 HA ARG 36 HA ARG 36 -1.856 -19.185 -3.519 233 HB2 ARG 36 2HB ARG 36 -1.530 -18.164 -0.691 234 HB3 ARG 36 1HB ARG 36 -2.893 -17.829 -1.752 235 HG2 ARG 36 2HG ARG 36 -2.096 -20.575 -0.808 236 HG3 ARG 36 1HG ARG 36 -3.356 -19.579 -0.074 237 HD2 ARG 36 2HD ARG 36 -4.527 -19.536 -2.256 238 HD3 ARG 36 1HD ARG 36 -3.305 -20.631 -2.899 239 HE ARG 36 HE ARG 36 -5.540 -21.336 -1.296 240 HH11 ARG 36 1HH1 ARG 36 -2.209 -22.139 -1.914 241 HH12 ARG 36 2HH1 ARG 36 -2.375 -23.786 -1.409 242 HH21 ARG 36 1HH2 ARG 36 -5.770 -23.504 -0.624 243 HH22 ARG 36 2HH2 ARG 36 -4.399 -24.562 -0.673 244 H ARG 37 H ARG 37 -2.218 -17.125 -4.327 245 HA ARG 37 HA ARG 37 0.183 -15.572 -4.713 246 HB2 ARG 37 2HB ARG 37 -1.329 -15.972 -6.592 247 HB3 ARG 37 1HB ARG 37 -2.633 -15.162 -5.734 248 HG2 ARG 37 2HG ARG 37 -1.474 -13.059 -5.852 249 HG3 ARG 37 1HG ARG 37 -0.063 -13.841 -6.565 250 HD2 ARG 37 2HD ARG 37 -1.402 -12.713 -8.264 251 HD3 ARG 37 1HD ARG 37 -1.375 -14.455 -8.520 252 HE ARG 37 HE ARG 37 -3.636 -14.477 -8.236 253 HH11 ARG 37 1HH1 ARG 37 -2.377 -11.558 -6.811 254 HH12 ARG 37 2HH1 ARG 37 -3.941 -10.894 -6.479 255 HH21 ARG 37 1HH2 ARG 37 -5.696 -13.611 -7.806 256 HH22 ARG 37 2HH2 ARG 37 -5.829 -12.064 -7.040 257 H HIS 38 H HIS 38 0.632 -13.567 -3.938 258 HA HIS 38 HA HIS 38 -1.383 -12.184 -2.345 259 HB2 HIS 38 2HB HIS 38 1.354 -12.921 -1.292 260 HB3 HIS 38 1HB HIS 38 0.216 -11.845 -0.488 261 HD1 HIS 38 1HD HIS 38 -2.315 -13.213 -0.291 262 HD2 HIS 38 2HD HIS 38 1.240 -15.362 -0.160 263 HE1 HIS 38 1HE HIS 38 -2.887 -15.394 0.824 264 HE2 HIS 38 2HE HIS 38 -0.724 -16.685 0.879 265 H HIS 39 H HIS 39 -0.637 -9.981 -1.707 266 HA HIS 39 HA HIS 39 1.266 -8.882 -3.676 267 HB2 HIS 39 2HB HIS 39 -1.436 -7.785 -2.896 268 HB3 HIS 39 1HB HIS 39 -0.230 -6.861 -3.786 269 HD1 HIS 39 1HD HIS 39 -2.977 -7.456 -5.021 270 HD2 HIS 39 2HD HIS 39 0.398 -9.808 -5.607 271 HE1 HIS 39 1HE HIS 39 -3.371 -8.673 -7.186 272 HE2 HIS 39 2HE HIS 39 -1.298 -10.058 -7.542 273 H CYS 40 H CYS 40 2.492 -7.109 -3.056 274 HA CYS 40 HA CYS 40 2.755 -6.702 -0.174 275 HB2 CYS 40 2HB CYS 40 4.820 -7.131 -1.368 276 HB3 CYS 40 1HB CYS 40 4.442 -5.891 -2.557 277 HG CYS 40 HG CYS 40 5.311 -4.143 -1.049 278 H ARG 41 H ARG 41 2.260 -4.794 0.805 279 HA ARG 41 HA ARG 41 0.437 -3.072 -0.515 280 HB2 ARG 41 2HB ARG 41 1.744 -2.880 2.196 281 HB3 ARG 41 1HB ARG 41 0.447 -1.827 1.646 282 HG2 ARG 41 2HG ARG 41 0.230 -4.822 1.853 283 HG3 ARG 41 1HG ARG 41 -0.312 -3.689 3.093 284 HD2 ARG 41 2HD ARG 41 -1.793 -2.636 1.395 285 HD3 ARG 41 1HD ARG 41 -1.323 -3.900 0.259 286 HE ARG 41 HE ARG 41 -2.265 -5.132 2.581 287 HH11 ARG 41 1HH1 ARG 41 -3.442 -3.144 -0.023 288 HH12 ARG 41 2HH1 ARG 41 -5.054 -3.773 0.052 289 HH21 ARG 41 1HH2 ARG 41 -4.387 -5.970 2.689 290 HH22 ARG 41 2HH2 ARG 41 -5.592 -5.378 1.594 291 H ASN 42 H ASN 42 3.774 -3.062 -0.571 292 HA ASN 42 HA ASN 42 3.950 -0.150 -0.822 293 HB2 ASN 42 2HB ASN 42 6.057 -2.277 -0.464 294 HB3 ASN 42 1HB ASN 42 6.444 -0.598 -0.820 295 HD21 ASN 42 1HD2 ASN 42 6.487 -2.646 1.584 296 HD22 ASN 42 2HD2 ASN 42 6.042 -1.635 2.909 297 H CYS 43 H CYS 43 5.632 -2.822 -2.481 298 HA CYS 43 HA CYS 43 5.842 -1.263 -4.863 299 HB2 CYS 43 2HB CYS 43 6.930 -3.236 -5.828 300 HB3 CYS 43 1HB CYS 43 7.591 -2.852 -4.244 301 HG CYS 43 HG CYS 43 5.710 -4.882 -3.571 302 H GLY 44 H GLY 44 3.552 -3.553 -3.662 303 HA2 GLY 44 2HA GLY 44 1.481 -4.120 -4.503 304 HA3 GLY 44 1HA GLY 44 1.772 -3.007 -5.831 305 H TYR 45 H TYR 45 4.126 -5.449 -5.256 306 HA TYR 45 HA TYR 45 3.298 -6.792 -7.725 307 HB2 TYR 45 2HB TYR 45 5.919 -6.962 -6.229 308 HB3 TYR 45 1HB TYR 45 5.561 -7.732 -7.769 309 HD1 TYR 45 1HD TYR 45 4.198 -5.624 -9.256 310 HD2 TYR 45 2HD TYR 45 7.557 -5.373 -6.657 311 HE1 TYR 45 1HE TYR 45 4.961 -3.612 -10.448 312 HE2 TYR 45 2HE TYR 45 8.329 -3.360 -7.840 313 HH TYR 45 HH TYR 45 7.954 -2.421 -10.314 314 H VAL 46 H VAL 46 3.603 -9.142 -7.825 315 HA VAL 46 HA VAL 46 2.198 -10.344 -5.642 316 HB VAL 46 HB VAL 46 3.361 -11.636 -8.114 317 HG11 VAL 46 1HG1 VAL 46 3.072 -13.217 -6.251 318 HG12 VAL 46 2HG1 VAL 46 1.962 -13.547 -7.581 319 HG13 VAL 46 3HG1 VAL 46 1.380 -12.738 -6.125 320 HG21 VAL 46 1HG2 VAL 46 0.569 -11.671 -8.195 321 HG22 VAL 46 2HG2 VAL 46 1.651 -10.670 -9.165 322 HG23 VAL 46 3HG2 VAL 46 0.998 -10.048 -7.650 323 H LEU 47 H LEU 47 2.970 -11.453 -3.966 324 HA LEU 47 HA LEU 47 5.730 -12.466 -4.071 325 HB2 LEU 47 2HB LEU 47 4.458 -10.828 -1.880 326 HB3 LEU 47 1HB LEU 47 5.867 -11.827 -1.604 327 HG LEU 47 HG LEU 47 6.415 -9.452 -1.915 328 HD11 LEU 47 1HD1 LEU 47 7.502 -11.639 -3.523 329 HD12 LEU 47 2HD1 LEU 47 8.312 -10.499 -2.450 330 HD13 LEU 47 3HD1 LEU 47 7.912 -10.023 -4.100 331 HD21 LEU 47 1HD2 LEU 47 6.012 -9.483 -4.805 332 HD22 LEU 47 2HD2 LEU 47 5.733 -8.199 -3.626 333 HD23 LEU 47 3HD2 LEU 47 4.522 -9.458 -3.864 334 H CYS 48 H CYS 48 6.032 -14.417 -3.101 335 HA CYS 48 HA CYS 48 3.677 -15.915 -2.361 336 HB2 CYS 48 2HB CYS 48 5.069 -17.840 -2.349 337 HB3 CYS 48 1HB CYS 48 5.670 -16.847 -3.672 338 HG CYS 48 HG CYS 48 7.183 -17.480 -1.076 339 H GLY 49 H GLY 49 4.043 -17.389 -0.239 340 HA2 GLY 49 2HA GLY 49 3.829 -15.698 1.940 341 HA3 GLY 49 1HA GLY 49 4.219 -17.407 2.053 342 H ASP 50 H ASP 50 6.659 -17.667 1.054 343 HA ASP 50 HA ASP 50 8.364 -16.829 3.072 344 HB2 ASP 50 2HB ASP 50 8.907 -17.785 0.269 345 HB3 ASP 50 1HB ASP 50 10.209 -17.391 1.384 346 H CYS 51 H CYS 51 7.647 -15.246 0.036 347 HA CYS 51 HA CYS 51 9.670 -13.219 0.531 348 HB2 CYS 51 2HB CYS 51 7.960 -13.977 -1.772 349 HB3 CYS 51 1HB CYS 51 8.431 -12.283 -1.655 350 HG CYS 51 HG CYS 51 10.913 -13.854 -1.387 351 H SER 52 H SER 52 6.638 -13.774 1.638 352 HA SER 52 HA SER 52 6.170 -10.916 2.087 353 HB2 SER 52 2HB SER 52 3.845 -11.098 1.669 354 HB3 SER 52 1HB SER 52 4.609 -11.951 0.329 355 HG SER 52 HG SER 52 3.023 -13.281 1.065 356 H ARG 53 H ARG 53 7.425 -13.102 3.638 357 HA ARG 53 HA ARG 53 5.566 -13.729 5.751 358 HB2 ARG 53 2HB ARG 53 8.492 -14.284 5.327 359 HB3 ARG 53 1HB ARG 53 7.735 -14.582 6.885 360 HG2 ARG 53 2HG ARG 53 6.122 -16.088 5.748 361 HG3 ARG 53 1HG ARG 53 7.023 -15.853 4.253 362 HD2 ARG 53 2HD ARG 53 9.048 -16.714 5.389 363 HD3 ARG 53 1HD ARG 53 8.063 -17.052 6.812 364 HE ARG 53 HE ARG 53 8.204 -18.594 4.399 365 HH11 ARG 53 1HH1 ARG 53 6.190 -17.736 7.107 366 HH12 ARG 53 2HH1 ARG 53 5.254 -19.192 7.038 367 HH21 ARG 53 1HH2 ARG 53 6.979 -20.516 4.301 368 HH22 ARG 53 2HH2 ARG 53 5.702 -20.773 5.442 369 H HIS 54 H HIS 54 7.715 -11.136 5.022 370 HA HIS 54 HA HIS 54 8.140 -10.349 7.746 371 HB2 HIS 54 2HB HIS 54 8.620 -8.921 5.129 372 HB3 HIS 54 1HB HIS 54 9.042 -8.245 6.694 373 HD1 HIS 54 1HD HIS 54 11.010 -9.389 7.982 374 HD2 HIS 54 2HD HIS 54 10.377 -10.816 4.131 375 HE1 HIS 54 1HE HIS 54 13.092 -10.669 7.389 376 HE2 HIS 54 2HE HIS 54 12.640 -11.614 5.097 377 H ARG 55 H ARG 55 7.540 -8.160 8.492 378 HA ARG 55 HA ARG 55 5.020 -7.161 7.407 379 HB2 ARG 55 2HB ARG 55 5.400 -7.853 10.328 380 HB3 ARG 55 1HB ARG 55 3.979 -7.091 9.619 381 HG2 ARG 55 2HG ARG 55 3.621 -9.104 8.241 382 HG3 ARG 55 1HG ARG 55 4.988 -9.869 9.052 383 HD2 ARG 55 2HD ARG 55 3.044 -10.649 10.146 384 HD3 ARG 55 1HD ARG 55 3.776 -9.462 11.224 385 HE ARG 55 HE ARG 55 1.258 -9.222 9.804 386 HH11 ARG 55 1HH1 ARG 55 3.756 -7.624 11.637 387 HH12 ARG 55 2HH1 ARG 55 2.743 -6.298 12.103 388 HH21 ARG 55 1HH2 ARG 55 -0.079 -7.481 10.416 389 HH22 ARG 55 2HH2 ARG 55 0.566 -6.218 11.409 390 H ALA 56 H ALA 56 4.796 -4.995 7.559 391 HA ALA 56 HA ALA 56 6.360 -3.419 9.408 392 HB1 ALA 56 1HB ALA 56 7.795 -4.083 7.289 393 HB2 ALA 56 2HB ALA 56 7.924 -2.494 8.043 394 HB3 ALA 56 3HB ALA 56 6.946 -2.705 6.590 395 H ALA 57 H ALA 57 5.832 -1.170 9.410 396 HA ALA 57 HA ALA 57 3.167 -0.658 8.342 397 HB1 ALA 57 1HB ALA 57 3.606 -0.175 10.719 398 HB2 ALA 57 2HB ALA 57 3.153 1.273 9.822 399 HB3 ALA 57 3HB ALA 57 4.843 0.988 10.242 400 H ILE 58 H ILE 58 2.726 1.137 7.004 401 HA ILE 58 HA ILE 58 5.092 2.384 5.785 402 HB ILE 58 HB ILE 58 2.637 1.819 4.175 403 HG12 ILE 58 2HG1 ILE 58 4.908 -0.146 4.536 404 HG13 ILE 58 1HG1 ILE 58 3.344 -0.305 5.328 405 HG21 ILE 58 1HG2 ILE 58 5.566 1.960 3.480 406 HG22 ILE 58 2HG2 ILE 58 4.406 3.273 3.293 407 HG23 ILE 58 3HG2 ILE 58 4.227 1.798 2.344 408 HD11 ILE 58 1HD1 ILE 58 4.060 -1.360 2.897 409 HD12 ILE 58 2HD1 ILE 58 3.097 0.054 2.464 410 HD13 ILE 58 3HD1 ILE 58 2.420 -1.187 3.518 411 HA PRO 59 HA PRO 59 2.229 5.612 7.479 412 HB2 PRO 59 2HB PRO 59 4.286 7.304 8.137 413 HB3 PRO 59 1HB PRO 59 3.613 6.082 9.219 414 HG2 PRO 59 2HG PRO 59 6.070 5.958 7.519 415 HG3 PRO 59 1HG PRO 59 5.821 5.377 9.177 416 HD2 PRO 59 2HD PRO 59 5.805 3.705 7.069 417 HD3 PRO 59 1HD PRO 59 4.751 3.449 8.476 418 H MET 60 H MET 60 4.372 5.437 4.823 419 HA MET 60 HA MET 60 3.731 8.167 3.992 420 HB2 MET 60 2HB MET 60 5.573 6.076 2.813 421 HB3 MET 60 1HB MET 60 5.275 7.649 2.088 422 HG2 MET 60 2HG MET 60 6.142 8.701 4.165 423 HG3 MET 60 1HG MET 60 6.571 7.093 4.745 424 HE1 MET 60 1HE MET 60 7.526 10.079 2.458 425 HE2 MET 60 2HE MET 60 6.814 8.973 1.284 426 HE3 MET 60 3HE MET 60 8.542 9.323 1.230 427 H ARG 61 H ARG 61 3.221 4.820 3.296 428 HA ARG 61 HA ARG 61 1.570 5.351 0.957 429 HB2 ARG 61 2HB ARG 61 2.286 2.746 2.305 430 HB3 ARG 61 1HB ARG 61 1.449 2.912 0.766 431 HG2 ARG 61 2HG ARG 61 3.500 4.196 -0.026 432 HG3 ARG 61 1HG ARG 61 4.299 3.587 1.417 433 HD2 ARG 61 2HD ARG 61 4.856 2.038 -0.237 434 HD3 ARG 61 1HD ARG 61 3.529 1.275 0.637 435 HE ARG 61 HE ARG 61 2.314 1.326 -1.287 436 HH11 ARG 61 1HH1 ARG 61 4.834 3.721 -1.502 437 HH12 ARG 61 2HH1 ARG 61 4.468 4.147 -3.139 438 HH21 ARG 61 1HH2 ARG 61 1.821 1.883 -3.444 439 HH22 ARG 61 2HH2 ARG 61 2.757 3.103 -4.244 440 H GLY 62 H GLY 62 0.716 6.290 3.594 441 HA2 GLY 62 2HA GLY 62 -1.273 6.509 4.716 442 HA3 GLY 62 1HA GLY 62 -2.013 5.593 3.413 443 H ILE 63 H ILE 63 0.598 4.150 5.192 444 HA ILE 63 HA ILE 63 -1.364 2.469 6.611 445 HB ILE 63 HB ILE 63 1.327 1.648 5.506 446 HG12 ILE 63 2HG1 ILE 63 -1.460 0.853 4.640 447 HG13 ILE 63 1HG1 ILE 63 -0.431 1.999 3.791 448 HG21 ILE 63 1HG2 ILE 63 0.476 -0.667 6.105 449 HG22 ILE 63 2HG2 ILE 63 -0.730 0.152 7.102 450 HG23 ILE 63 3HG2 ILE 63 0.988 0.363 7.443 451 HD11 ILE 63 1HD1 ILE 63 -0.608 -0.584 3.146 452 HD12 ILE 63 2HD1 ILE 63 0.723 -0.664 4.300 453 HD13 ILE 63 3HD1 ILE 63 0.845 0.381 2.883 454 H THR 64 H THR 64 -1.322 3.338 8.640 455 HA THR 64 HA THR 64 1.213 4.107 9.834 456 HB THR 64 HB THR 64 -0.187 4.834 11.758 457 HG1 THR 64 1HG THR 64 -1.888 3.240 11.234 458 HG21 THR 64 1HG2 THR 64 -1.337 5.893 9.199 459 HG22 THR 64 2HG2 THR 64 0.263 6.333 9.798 460 HG23 THR 64 3HG2 THR 64 -1.172 6.719 10.747 461 H GLU 65 H GLU 65 -0.938 1.425 9.863 462 HA GLU 65 HA GLU 65 0.343 0.312 12.257 463 HB2 GLU 65 2HB GLU 65 -2.144 -0.409 10.715 464 HB3 GLU 65 1HB GLU 65 -1.419 -1.535 11.853 465 HG2 GLU 65 2HG GLU 65 -2.044 1.241 12.738 466 HG3 GLU 65 1HG GLU 65 -3.341 0.055 12.598 467 HA PRO 66 HA PRO 66 3.142 -2.024 9.809 468 HB2 PRO 66 2HB PRO 66 2.653 -4.223 11.760 469 HB3 PRO 66 1HB PRO 66 4.182 -3.502 11.244 470 HG2 PRO 66 2HG PRO 66 3.122 -2.944 13.638 471 HG3 PRO 66 1HG PRO 66 3.987 -1.715 12.697 472 HD2 PRO 66 2HD PRO 66 1.061 -2.046 13.151 473 HD3 PRO 66 1HD PRO 66 2.013 -0.563 12.937 474 H GLU 67 H GLU 67 2.641 -2.926 7.954 475 HA GLU 67 HA GLU 67 0.564 -5.009 7.884 476 HB2 GLU 67 2HB GLU 67 1.082 -2.869 5.811 477 HB3 GLU 67 1HB GLU 67 -0.063 -4.186 5.631 478 HG2 GLU 67 2HG GLU 67 -1.273 -3.330 7.622 479 HG3 GLU 67 1HG GLU 67 -0.182 -1.950 7.631 480 H ARG 68 H ARG 68 0.747 -6.410 5.916 481 HA ARG 68 HA ARG 68 3.350 -7.518 5.812 482 HB2 ARG 68 2HB ARG 68 2.415 -9.147 4.297 483 HB3 ARG 68 1HB ARG 68 1.312 -8.856 5.636 484 HG2 ARG 68 2HG ARG 68 0.053 -7.296 4.127 485 HG3 ARG 68 1HG ARG 68 1.068 -7.877 2.804 486 HD2 ARG 68 2HD ARG 68 0.325 -10.191 3.335 487 HD3 ARG 68 1HD ARG 68 -0.785 -9.519 4.525 488 HE ARG 68 HE ARG 68 -1.062 -9.457 1.645 489 HH11 ARG 68 1HH1 ARG 68 -2.111 -8.168 4.706 490 HH12 ARG 68 2HH1 ARG 68 -3.629 -7.601 4.094 491 HH21 ARG 68 1HH2 ARG 68 -3.058 -8.716 0.829 492 HH22 ARG 68 2HH2 ARG 68 -4.169 -7.916 1.890 493 H VAL 69 H VAL 69 4.885 -7.501 4.335 494 HA VAL 69 HA VAL 69 4.545 -6.129 1.774 495 HB VAL 69 HB VAL 69 6.617 -4.847 2.065 496 HG11 VAL 69 1HG1 VAL 69 4.335 -4.338 3.939 497 HG12 VAL 69 2HG1 VAL 69 4.708 -3.559 2.399 498 HG13 VAL 69 3HG1 VAL 69 5.697 -3.225 3.824 499 HG21 VAL 69 1HG2 VAL 69 7.337 -4.533 4.532 500 HG22 VAL 69 2HG2 VAL 69 7.889 -5.959 3.652 501 HG23 VAL 69 3HG2 VAL 69 6.545 -6.090 4.787 502 H CYS 70 H CYS 70 6.904 -6.245 0.689 503 HA CYS 70 HA CYS 70 7.658 -9.063 0.834 504 HB2 CYS 70 2HB CYS 70 8.359 -8.934 -1.367 505 HB3 CYS 70 1HB CYS 70 7.039 -7.773 -1.361 506 HG CYS 70 HG CYS 70 9.652 -7.101 -2.329 507 H ASP 71 H ASP 71 10.255 -8.859 -0.215 508 HA ASP 71 HA ASP 71 11.633 -8.072 2.199 509 HB2 ASP 71 2HB ASP 71 12.631 -9.315 -0.370 510 HB3 ASP 71 1HB ASP 71 13.668 -8.960 1.010 511 H ALA 72 H ALA 72 11.677 -6.921 -1.171 512 HA ALA 72 HA ALA 72 13.728 -5.013 -0.723 513 HB1 ALA 72 1HB ALA 72 12.791 -3.956 -2.837 514 HB2 ALA 72 2HB ALA 72 11.634 -5.286 -2.856 515 HB3 ALA 72 3HB ALA 72 13.363 -5.621 -2.959 516 H CYS 73 H CYS 73 10.198 -4.756 -0.676 517 HA CYS 73 HA CYS 73 10.101 -1.976 -0.227 518 HB2 CYS 73 2HB CYS 73 8.040 -4.016 0.627 519 HB3 CYS 73 1HB CYS 73 7.782 -2.302 0.311 520 HG CYS 73 HG CYS 73 8.761 -3.825 -2.134 521 H TYR 74 H TYR 74 10.208 -4.757 1.954 522 HA TYR 74 HA TYR 74 9.773 -3.394 4.360 523 HB2 TYR 74 2HB TYR 74 9.865 -5.871 4.165 524 HB3 TYR 74 1HB TYR 74 11.600 -5.766 3.884 525 HD1 TYR 74 2HD TYR 74 8.931 -5.406 6.386 526 HD2 TYR 74 1HD TYR 74 13.130 -5.339 5.698 527 HE1 TYR 74 2HE TYR 74 9.327 -5.510 8.812 528 HE2 TYR 74 1HE TYR 74 13.535 -5.443 8.120 529 HH TYR 74 HH TYR 74 11.317 -4.759 10.388 530 H LEU 75 H LEU 75 12.690 -3.936 2.464 531 HA LEU 75 HA LEU 75 14.485 -2.671 4.276 532 HB2 LEU 75 2HB LEU 75 14.590 -3.655 1.476 533 HB3 LEU 75 1HB LEU 75 15.809 -2.499 1.969 534 HG LEU 75 HG LEU 75 15.321 -4.965 3.604 535 HD11 LEU 75 1HD1 LEU 75 16.761 -6.264 2.299 536 HD12 LEU 75 2HD1 LEU 75 17.317 -4.874 1.368 537 HD13 LEU 75 3HD1 LEU 75 15.686 -5.498 1.129 538 HD21 LEU 75 1HD2 LEU 75 16.783 -2.942 4.277 539 HD22 LEU 75 2HD2 LEU 75 17.924 -3.579 3.091 540 HD23 LEU 75 3HD2 LEU 75 17.440 -4.567 4.468 541 H ALA 76 H ALA 76 13.025 -1.566 1.217 542 HA ALA 76 HA ALA 76 14.203 0.909 1.065 543 HB1 ALA 76 1HB ALA 76 11.334 0.532 0.276 544 HB2 ALA 76 2HB ALA 76 12.640 -0.268 -0.600 545 HB3 ALA 76 3HB ALA 76 12.585 1.493 -0.514 546 H LEU 77 H LEU 77 11.100 0.159 2.668 547 HA LEU 77 HA LEU 77 10.738 2.800 3.667 548 HB2 LEU 77 2HB LEU 77 9.696 0.166 4.728 549 HB3 LEU 77 1HB LEU 77 9.140 1.747 5.237 550 HG LEU 77 HG LEU 77 8.937 0.843 2.375 551 HD11 LEU 77 1HD1 LEU 77 7.700 -0.813 3.428 552 HD12 LEU 77 2HD1 LEU 77 6.495 0.418 3.050 553 HD13 LEU 77 3HD1 LEU 77 7.126 0.276 4.690 554 HD21 LEU 77 1HD2 LEU 77 7.176 2.537 2.278 555 HD22 LEU 77 2HD2 LEU 77 8.706 3.242 2.801 556 HD23 LEU 77 3HD2 LEU 77 7.440 2.914 3.984 557 H ARG 78 H ARG 78 12.140 -0.152 4.863 558 HA ARG 78 HA ARG 78 12.848 0.564 7.446 559 HB2 ARG 78 2HB ARG 78 12.923 -1.705 6.739 560 HB3 ARG 78 1HB ARG 78 14.068 -1.338 5.458 561 HG2 ARG 78 2HG ARG 78 15.734 -0.760 7.204 562 HG3 ARG 78 1HG ARG 78 14.576 -1.310 8.414 563 HD2 ARG 78 2HD ARG 78 14.522 -3.519 7.270 564 HD3 ARG 78 1HD ARG 78 15.812 -2.949 6.212 565 HE ARG 78 HE ARG 78 16.619 -2.601 8.871 566 HH11 ARG 78 1HH1 ARG 78 15.952 -5.154 6.601 567 HH12 ARG 78 2HH1 ARG 78 17.051 -6.272 7.337 568 HH21 ARG 78 1HH2 ARG 78 18.064 -4.063 9.850 569 HH22 ARG 78 2HH2 ARG 78 18.249 -5.654 9.189 570 H SER 79 H SER 79 14.184 1.583 4.426 571 HA SER 79 HA SER 79 16.619 2.532 5.763 572 HB2 SER 79 2HB SER 79 16.976 1.153 3.754 573 HB3 SER 79 1HB SER 79 16.028 2.298 2.804 574 HG SER 79 HG SER 79 18.581 2.393 3.205 575 H SER 80 H SER 80 17.273 4.693 5.567 576 HA SER 80 HA SER 80 15.137 6.546 4.740 577 HB2 SER 80 2HB SER 80 15.527 6.522 7.190 578 HB3 SER 80 1HB SER 80 17.208 6.976 6.908 579 HG SER 80 HG SER 80 14.930 8.494 6.148 580 H ASN 81 H ASN 81 15.696 8.382 3.583 581 HA ASN 81 HA ASN 81 18.245 8.209 2.193 582 HB2 ASN 81 2HB ASN 81 15.837 9.985 1.742 583 HB3 ASN 81 1HB ASN 81 17.277 9.974 0.728 584 HD21 ASN 81 1HD2 ASN 81 14.774 9.487 -0.300 585 HD22 ASN 81 2HD2 ASN 81 14.676 7.840 -0.810 586 H MET 82 H MET 82 19.930 9.523 2.525 587 HA MET 82 HA MET 82 20.088 11.175 4.775 588 HB2 MET 82 2HB MET 82 21.821 11.090 2.302 589 HB3 MET 82 1HB MET 82 22.226 11.992 3.755 590 HG2 MET 82 2HG MET 82 22.140 9.851 5.022 591 HG3 MET 82 1HG MET 82 21.929 9.011 3.488 592 HE1 MET 82 1HE MET 82 23.785 11.479 5.440 593 HE2 MET 82 2HE MET 82 25.172 11.884 4.430 594 HE3 MET 82 3HE MET 82 25.314 10.626 5.658 595 H ALA 83 H ALA 83 19.318 11.906 1.426 596 HA ALA 83 HA ALA 83 19.518 14.708 1.570 597 HB1 ALA 83 1HB ALA 83 18.631 12.766 -0.332 598 HB2 ALA 83 2HB ALA 83 19.154 14.428 -0.601 599 HB3 ALA 83 3HB ALA 83 17.462 14.083 -0.248 600 H GLY 84 H GLY 84 17.959 16.313 1.898 601 HA2 GLY 84 2HA GLY 84 15.259 16.017 2.351 602 HA3 GLY 84 1HA GLY 84 16.018 15.706 3.906 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -10.456 1.880 20.807 2 H2 GLY 1 2HT GLY 1 -11.071 0.875 19.592 3 H3 GLY 1 3HT GLY 1 -11.999 2.166 20.173 4 HA2 GLY 1 1HA GLY 1 -9.440 3.012 19.206 5 HA3 GLY 1 2HA GLY 1 -10.395 2.210 17.970 6 HA PRO 2 HA PRO 2 -12.351 6.449 19.308 7 HB2 PRO 2 2HB PRO 2 -10.505 8.412 19.230 8 HB3 PRO 2 1HB PRO 2 -10.829 7.484 20.700 9 HG2 PRO 2 2HG PRO 2 -8.621 7.158 18.701 10 HG3 PRO 2 1HG PRO 2 -8.539 7.119 20.473 11 HD2 PRO 2 2HD PRO 2 -8.586 4.871 18.942 12 HD3 PRO 2 1HD PRO 2 -9.257 4.937 20.584 13 H LEU 3 H LEU 3 -10.334 5.361 16.844 14 HA LEU 3 HA LEU 3 -10.823 7.551 15.015 15 HB2 LEU 3 2HB LEU 3 -9.599 4.844 14.484 16 HB3 LEU 3 1HB LEU 3 -9.559 6.228 13.408 17 HG LEU 3 HG LEU 3 -8.173 5.984 16.078 18 HD11 LEU 3 1HD1 LEU 3 -7.247 5.963 13.225 19 HD12 LEU 3 2HD1 LEU 3 -6.908 4.804 14.511 20 HD13 LEU 3 3HD1 LEU 3 -6.167 6.404 14.549 21 HD21 LEU 3 1HD2 LEU 3 -7.185 8.211 15.403 22 HD22 LEU 3 2HD2 LEU 3 -8.869 8.236 15.929 23 HD23 LEU 3 3HD2 LEU 3 -8.481 8.321 14.210 24 H GLY 4 H GLY 4 -12.153 7.507 13.217 25 HA2 GLY 4 2HA GLY 4 -14.592 6.170 13.430 26 HA3 GLY 4 1HA GLY 4 -13.996 6.945 11.971 27 H SER 5 H SER 5 -15.496 4.398 12.456 28 HA SER 5 HA SER 5 -13.829 2.189 11.946 29 HB2 SER 5 2HB SER 5 -15.866 0.999 11.362 30 HB3 SER 5 1HB SER 5 -16.174 2.025 12.764 31 HG SER 5 HG SER 5 -17.608 3.059 11.640 32 H MET 6 H MET 6 -15.030 4.696 9.897 33 HA MET 6 HA MET 6 -14.152 3.209 7.512 34 HB2 MET 6 2HB MET 6 -15.990 5.597 7.748 35 HB3 MET 6 1HB MET 6 -15.476 4.880 6.229 36 HG2 MET 6 2HG MET 6 -16.519 2.739 6.982 37 HG3 MET 6 1HG MET 6 -17.174 3.618 8.363 38 HE1 MET 6 1HE MET 6 -16.929 3.125 4.698 39 HE2 MET 6 2HE MET 6 -17.075 4.848 4.360 40 HE3 MET 6 3HE MET 6 -18.420 3.765 4.007 41 H GLY 7 H GLY 7 -12.665 4.095 6.108 42 HA2 GLY 7 2HA GLY 7 -11.713 6.777 6.331 43 HA3 GLY 7 1HA GLY 7 -10.611 5.645 7.100 44 H GLU 8 H GLU 8 -11.428 7.157 4.229 45 HA GLU 8 HA GLU 8 -10.335 5.074 2.512 46 HB2 GLU 8 2HB GLU 8 -12.301 6.472 1.812 47 HB3 GLU 8 1HB GLU 8 -11.223 7.860 1.743 48 HG2 GLU 8 2HG GLU 8 -9.870 6.681 0.049 49 HG3 GLU 8 1HG GLU 8 -11.032 5.358 0.081 50 H LYS 9 H LYS 9 -8.834 6.870 4.587 51 HA LYS 9 HA LYS 9 -6.942 8.335 3.038 52 HB2 LYS 9 2HB LYS 9 -6.775 7.270 5.867 53 HB3 LYS 9 1HB LYS 9 -5.613 8.376 5.145 54 HG2 LYS 9 2HG LYS 9 -7.451 10.010 4.821 55 HG3 LYS 9 1HG LYS 9 -8.522 8.913 5.694 56 HD2 LYS 9 2HD LYS 9 -6.989 9.040 7.639 57 HD3 LYS 9 1HD LYS 9 -6.026 10.231 6.762 58 HE2 LYS 9 2HE LYS 9 -7.338 11.731 7.795 59 HE3 LYS 9 1HE LYS 9 -8.515 11.300 6.555 60 HZ1 LYS 9 1HZ LYS 9 -8.542 10.760 9.382 61 HZ2 LYS 9 2HZ LYS 9 -8.918 9.410 8.435 62 HZ3 LYS 9 3HZ LYS 9 -9.826 10.828 8.281 63 H GLN 10 H GLN 10 -7.540 5.125 3.282 64 HA GLN 10 HA GLN 10 -4.929 4.007 3.375 65 HB2 GLN 10 2HB GLN 10 -6.826 2.679 4.016 66 HB3 GLN 10 1HB GLN 10 -7.613 2.955 2.468 67 HG2 GLN 10 2HG GLN 10 -5.740 1.701 1.389 68 HG3 GLN 10 1HG GLN 10 -5.155 1.305 3.005 69 HE21 GLN 10 1HE2 GLN 10 -5.648 -0.709 3.489 70 HE22 GLN 10 2HE2 GLN 10 -7.145 -1.503 3.150 71 H SER 11 H SER 11 -3.529 3.578 1.748 72 HA SER 11 HA SER 11 -4.400 4.191 -1.000 73 HB2 SER 11 2HB SER 11 -2.880 5.931 -0.065 74 HB3 SER 11 1HB SER 11 -1.647 4.691 0.157 75 HG SER 11 HG SER 11 -1.224 4.748 -1.907 76 H LYS 12 H LYS 12 -3.749 2.819 -2.615 77 HA LYS 12 HA LYS 12 -2.150 0.486 -1.795 78 HB2 LYS 12 2HB LYS 12 -4.578 0.475 -3.598 79 HB3 LYS 12 1HB LYS 12 -3.579 -0.922 -3.220 80 HG2 LYS 12 2HG LYS 12 -4.190 -0.654 -0.834 81 HG3 LYS 12 1HG LYS 12 -5.286 0.647 -1.304 82 HD2 LYS 12 2HD LYS 12 -6.439 -0.977 -2.815 83 HD3 LYS 12 1HD LYS 12 -5.429 -2.250 -2.126 84 HE2 LYS 12 2HE LYS 12 -6.786 -0.580 -0.138 85 HE3 LYS 12 1HE LYS 12 -7.876 -1.497 -1.176 86 HZ1 LYS 12 1HZ LYS 12 -7.310 -3.402 -0.195 87 HZ2 LYS 12 2HZ LYS 12 -6.649 -2.452 1.037 88 HZ3 LYS 12 3HZ LYS 12 -5.657 -3.041 -0.200 89 H GLY 13 H GLY 13 -0.723 -0.350 -3.290 90 HA2 GLY 13 2HA GLY 13 0.024 1.465 -5.431 91 HA3 GLY 13 1HA GLY 13 0.929 0.059 -4.890 92 H TYR 14 H TYR 14 1.084 -0.051 -7.357 93 HA TYR 14 HA TYR 14 -1.245 -0.976 -8.755 94 HB2 TYR 14 2HB TYR 14 0.534 0.236 -9.928 95 HB3 TYR 14 1HB TYR 14 1.662 -1.069 -9.575 96 HD1 TYR 14 1HD TYR 14 -1.279 -0.090 -11.554 97 HD2 TYR 14 2HD TYR 14 1.612 -3.123 -10.822 98 HE1 TYR 14 1HE TYR 14 -1.961 -1.232 -13.623 99 HE2 TYR 14 2HE TYR 14 0.941 -4.272 -12.887 100 HH TYR 14 HH TYR 14 -0.188 -3.490 -15.147 101 H TRP 15 H TRP 15 -2.030 -2.960 -8.720 102 HA TRP 15 HA TRP 15 -0.427 -5.140 -7.612 103 HB2 TRP 15 2HB TRP 15 -2.566 -6.390 -7.580 104 HB3 TRP 15 1HB TRP 15 -2.660 -4.871 -6.695 105 HD1 TRP 15 HD TRP 15 -4.020 -2.837 -7.938 106 HE1 TRP 15 1HE TRP 15 -5.995 -2.940 -9.584 107 HE3 TRP 15 3HE TRP 15 -3.600 -7.717 -9.412 108 HZ2 TRP 15 2HZ TRP 15 -7.217 -4.836 -11.280 109 HZ3 TRP 15 3HZ TRP 15 -5.213 -8.596 -11.047 110 HH2 TRP 15 HH TRP 15 -6.984 -7.185 -11.961 111 H GLN 16 H GLN 16 0.671 -6.429 -8.922 112 HA GLN 16 HA GLN 16 0.091 -6.532 -11.762 113 HB2 GLN 16 2HB GLN 16 2.432 -6.452 -10.938 114 HB3 GLN 16 1HB GLN 16 2.186 -7.997 -10.135 115 HG2 GLN 16 2HG GLN 16 1.829 -9.076 -12.283 116 HG3 GLN 16 1HG GLN 16 2.025 -7.527 -13.104 117 HE21 GLN 16 1HE2 GLN 16 3.604 -9.512 -13.904 118 HE22 GLN 16 2HE2 GLN 16 5.227 -9.290 -13.354 119 H GLU 17 H GLU 17 -0.942 -8.028 -12.815 120 HA GLU 17 HA GLU 17 -2.626 -9.824 -11.536 121 HB2 GLU 17 2HB GLU 17 -1.713 -9.756 -14.409 122 HB3 GLU 17 1HB GLU 17 -3.042 -10.744 -13.814 123 HG2 GLU 17 2HG GLU 17 -4.196 -8.692 -13.083 124 HG3 GLU 17 1HG GLU 17 -2.886 -7.738 -13.776 125 H ASP 18 H ASP 18 -2.740 -12.094 -11.571 126 HA ASP 18 HA ASP 18 -0.474 -13.500 -10.725 127 HB2 ASP 18 2HB ASP 18 -1.855 -15.503 -11.031 128 HB3 ASP 18 1HB ASP 18 -2.747 -14.216 -10.223 129 H GLU 19 H GLU 19 -2.043 -13.432 -13.904 130 HA GLU 19 HA GLU 19 -0.380 -15.353 -15.104 131 HB2 GLU 19 2HB GLU 19 -2.014 -13.120 -16.305 132 HB3 GLU 19 1HB GLU 19 -1.207 -14.355 -17.259 133 HG2 GLU 19 2HG GLU 19 -3.329 -14.855 -15.184 134 HG3 GLU 19 1HG GLU 19 -3.582 -14.836 -16.928 135 H ASP 20 H ASP 20 -0.152 -11.822 -14.993 136 HA ASP 20 HA ASP 20 2.144 -11.693 -16.680 137 HB2 ASP 20 2HB ASP 20 0.960 -9.695 -14.743 138 HB3 ASP 20 1HB ASP 20 2.320 -9.345 -15.808 139 H ALA 21 H ALA 21 1.581 -12.124 -13.296 140 HA ALA 21 HA ALA 21 4.490 -12.149 -12.800 141 HB1 ALA 21 1HB ALA 21 4.152 -10.841 -11.034 142 HB2 ALA 21 2HB ALA 21 3.019 -12.011 -10.357 143 HB3 ALA 21 3HB ALA 21 2.439 -10.751 -11.446 144 HA PRO 22 HA PRO 22 2.882 -16.478 -12.244 145 HB2 PRO 22 2HB PRO 22 4.622 -17.696 -13.875 146 HB3 PRO 22 1HB PRO 22 3.190 -16.871 -14.503 147 HG2 PRO 22 2HG PRO 22 6.018 -15.887 -14.352 148 HG3 PRO 22 1HG PRO 22 4.882 -15.805 -15.712 149 HD2 PRO 22 2HD PRO 22 5.330 -13.714 -14.032 150 HD3 PRO 22 1HD PRO 22 3.772 -13.987 -14.839 151 H ALA 23 H ALA 23 5.790 -14.813 -11.731 152 HA ALA 23 HA ALA 23 6.668 -16.863 -9.823 153 HB1 ALA 23 1HB ALA 23 9.065 -15.962 -10.564 154 HB2 ALA 23 2HB ALA 23 8.211 -15.742 -12.092 155 HB3 ALA 23 3HB ALA 23 8.288 -17.339 -11.346 156 H CYS 24 H CYS 24 7.981 -16.015 -8.068 157 HA CYS 24 HA CYS 24 6.977 -13.661 -6.985 158 HB2 CYS 24 2HB CYS 24 8.264 -15.718 -5.944 159 HB3 CYS 24 1HB CYS 24 9.656 -14.658 -6.129 160 HG CYS 24 HG CYS 24 8.557 -12.990 -4.489 161 H ASN 25 H ASN 25 7.398 -11.618 -7.325 162 HA ASN 25 HA ASN 25 9.280 -10.679 -9.185 163 HB2 ASN 25 2HB ASN 25 7.671 -9.298 -7.039 164 HB3 ASN 25 1HB ASN 25 8.721 -8.418 -8.145 165 HD21 ASN 25 1HD2 ASN 25 5.726 -10.020 -7.731 166 HD22 ASN 25 2HD2 ASN 25 5.092 -9.724 -9.311 167 H GLY 26 H GLY 26 9.485 -11.286 -5.766 168 HA2 GLY 26 2HA GLY 26 11.919 -9.738 -5.464 169 HA3 GLY 26 1HA GLY 26 11.100 -10.650 -4.211 170 H CYS 27 H CYS 27 11.102 -13.202 -5.009 171 HA CYS 27 HA CYS 27 13.972 -13.771 -5.209 172 HB2 CYS 27 2HB CYS 27 13.504 -15.876 -4.108 173 HB3 CYS 27 1HB CYS 27 12.790 -14.559 -3.185 174 HG CYS 27 HG CYS 27 11.263 -16.856 -3.834 175 H GLY 28 H GLY 28 11.342 -13.786 -7.247 176 HA2 GLY 28 2HA GLY 28 11.102 -14.647 -9.353 177 HA3 GLY 28 1HA GLY 28 12.746 -15.244 -9.224 178 H CYS 29 H CYS 29 10.851 -16.397 -6.675 179 HA CYS 29 HA CYS 29 10.978 -19.064 -7.677 180 HB2 CYS 29 2HB CYS 29 10.138 -19.766 -5.611 181 HB3 CYS 29 1HB CYS 29 11.023 -18.299 -5.212 182 HG CYS 29 HG CYS 29 8.030 -18.724 -4.892 183 H VAL 30 H VAL 30 9.340 -20.413 -8.373 184 HA VAL 30 HA VAL 30 7.184 -19.062 -9.727 185 HB VAL 30 HB VAL 30 7.202 -22.010 -9.666 186 HG11 VAL 30 1HG1 VAL 30 5.808 -21.472 -11.318 187 HG12 VAL 30 2HG1 VAL 30 7.260 -21.155 -12.268 188 HG13 VAL 30 3HG1 VAL 30 6.442 -19.831 -11.438 189 HG21 VAL 30 1HG2 VAL 30 9.068 -21.974 -11.409 190 HG22 VAL 30 2HG2 VAL 30 9.539 -21.811 -9.717 191 HG23 VAL 30 3HG2 VAL 30 9.481 -20.388 -10.757 192 H PHE 31 H PHE 31 5.066 -19.085 -9.271 193 HA PHE 31 HA PHE 31 4.243 -20.001 -6.652 194 HB2 PHE 31 2HB PHE 31 2.705 -18.597 -8.852 195 HB3 PHE 31 1HB PHE 31 2.059 -18.967 -7.256 196 HD1 PHE 31 1HD PHE 31 3.027 -17.874 -5.256 197 HD2 PHE 31 2HD PHE 31 4.101 -16.724 -9.209 198 HE1 PHE 31 1HE PHE 31 3.921 -15.752 -4.392 199 HE2 PHE 31 2HE PHE 31 4.998 -14.600 -8.350 200 HZ PHE 31 HZ PHE 31 4.910 -14.113 -5.938 201 H THR 32 H THR 32 3.039 -21.703 -6.200 202 HA THR 32 HA THR 32 1.990 -23.324 -8.423 203 HB THR 32 HB THR 32 2.696 -25.345 -7.353 204 HG1 THR 32 1HG THR 32 4.117 -24.841 -5.345 205 HG21 THR 32 1HG2 THR 32 5.164 -23.832 -6.818 206 HG22 THR 32 2HG2 THR 32 4.490 -23.688 -8.441 207 HG23 THR 32 3HG2 THR 32 4.899 -25.278 -7.793 208 H THR 33 H THR 33 0.360 -24.970 -7.626 209 HA THR 33 HA THR 33 -1.870 -23.762 -6.586 210 HB THR 33 HB THR 33 -1.146 -26.677 -6.254 211 HG1 THR 33 1HG THR 33 -1.854 -26.971 -8.275 212 HG21 THR 33 1HG2 THR 33 -3.215 -27.084 -5.588 213 HG22 THR 33 2HG2 THR 33 -3.898 -26.092 -6.878 214 HG23 THR 33 3HG2 THR 33 -3.402 -25.346 -5.360 215 H THR 34 H THR 34 0.612 -25.557 -4.759 216 HA THR 34 HA THR 34 -0.747 -25.315 -2.292 217 HB THR 34 HB THR 34 2.222 -25.688 -2.762 218 HG1 THR 34 1HG THR 34 1.418 -27.952 -2.193 219 HG21 THR 34 1HG2 THR 34 2.143 -26.876 -0.576 220 HG22 THR 34 2HG2 THR 34 0.523 -26.222 -0.344 221 HG23 THR 34 3HG2 THR 34 1.901 -25.132 -0.475 222 H VAL 35 H VAL 35 1.633 -23.250 -3.917 223 HA VAL 35 HA VAL 35 1.735 -21.457 -1.637 224 HB VAL 35 HB VAL 35 2.960 -21.221 -4.383 225 HG11 VAL 35 1HG1 VAL 35 4.234 -19.350 -3.481 226 HG12 VAL 35 2HG1 VAL 35 3.366 -19.487 -1.951 227 HG13 VAL 35 3HG1 VAL 35 2.502 -19.024 -3.418 228 HG21 VAL 35 1HG2 VAL 35 3.729 -22.732 -2.133 229 HG22 VAL 35 2HG2 VAL 35 4.840 -21.365 -2.238 230 HG23 VAL 35 3HG2 VAL 35 4.643 -22.449 -3.616 231 H ARG 36 H ARG 36 0.151 -20.144 -1.295 232 HA ARG 36 HA ARG 36 -1.731 -19.302 -3.281 233 HB2 ARG 36 2HB ARG 36 -1.270 -18.322 -0.455 234 HB3 ARG 36 1HB ARG 36 -2.650 -17.900 -1.460 235 HG2 ARG 36 2HG ARG 36 -3.274 -20.289 -1.544 236 HG3 ARG 36 1HG ARG 36 -1.939 -20.643 -0.446 237 HD2 ARG 36 2HD ARG 36 -2.964 -19.065 1.191 238 HD3 ARG 36 1HD ARG 36 -4.350 -18.921 0.112 239 HE ARG 36 HE ARG 36 -4.042 -21.615 0.546 240 HH11 ARG 36 1HH1 ARG 36 -4.556 -18.798 2.526 241 HH12 ARG 36 2HH1 ARG 36 -5.426 -19.658 3.753 242 HH21 ARG 36 1HH2 ARG 36 -5.189 -22.759 2.155 243 HH22 ARG 36 2HH2 ARG 36 -5.787 -21.910 3.541 244 H ARG 37 H ARG 37 -1.996 -17.291 -4.191 245 HA ARG 37 HA ARG 37 0.443 -15.771 -4.513 246 HB2 ARG 37 2HB ARG 37 -1.091 -16.330 -6.415 247 HB3 ARG 37 1HB ARG 37 -2.275 -15.236 -5.714 248 HG2 ARG 37 2HG ARG 37 -0.688 -13.383 -5.947 249 HG3 ARG 37 1HG ARG 37 0.474 -14.490 -6.681 250 HD2 ARG 37 2HD ARG 37 -2.260 -13.816 -7.761 251 HD3 ARG 37 1HD ARG 37 -0.723 -13.210 -8.378 252 HE ARG 37 HE ARG 37 -0.322 -15.265 -9.362 253 HH11 ARG 37 1HH1 ARG 37 -3.181 -15.406 -7.372 254 HH12 ARG 37 2HH1 ARG 37 -3.681 -16.948 -7.978 255 HH21 ARG 37 1HH2 ARG 37 -0.979 -17.294 -10.166 256 HH22 ARG 37 2HH2 ARG 37 -2.431 -18.021 -9.565 257 H HIS 38 H HIS 38 0.818 -13.697 -3.845 258 HA HIS 38 HA HIS 38 -1.293 -12.305 -2.390 259 HB2 HIS 38 2HB HIS 38 1.423 -12.906 -1.203 260 HB3 HIS 38 1HB HIS 38 0.193 -11.879 -0.474 261 HD1 HIS 38 1HD HIS 38 -2.188 -13.242 -0.045 262 HD2 HIS 38 2HD HIS 38 1.308 -15.468 -0.354 263 HE1 HIS 38 1HE HIS 38 -2.712 -15.464 1.008 264 HE2 HIS 38 2HE HIS 38 -0.603 -16.820 0.748 265 H HIS 39 H HIS 39 -0.576 -10.077 -1.754 266 HA HIS 39 HA HIS 39 1.343 -8.979 -3.708 267 HB2 HIS 39 2HB HIS 39 -1.335 -7.791 -2.955 268 HB3 HIS 39 1HB HIS 39 -0.150 -7.046 -4.023 269 HD1 HIS 39 1HD HIS 39 0.346 -8.441 -6.292 270 HD2 HIS 39 2HD HIS 39 -3.096 -9.457 -4.195 271 HE1 HIS 39 1HE HIS 39 -1.078 -9.724 -7.919 272 HE2 HIS 39 2HE HIS 39 -3.146 -10.351 -6.622 273 H CYS 40 H CYS 40 2.525 -7.168 -3.079 274 HA CYS 40 HA CYS 40 2.727 -6.755 -0.196 275 HB2 CYS 40 2HB CYS 40 4.815 -7.144 -1.355 276 HB3 CYS 40 1HB CYS 40 4.438 -5.906 -2.547 277 HG CYS 40 HG CYS 40 5.312 -4.173 -1.041 278 H ARG 41 H ARG 41 2.188 -4.870 0.786 279 HA ARG 41 HA ARG 41 0.347 -3.164 -0.527 280 HB2 ARG 41 2HB ARG 41 1.653 -2.966 2.185 281 HB3 ARG 41 1HB ARG 41 0.346 -1.924 1.640 282 HG2 ARG 41 2HG ARG 41 0.158 -4.922 1.838 283 HG3 ARG 41 1HG ARG 41 -0.392 -3.797 3.083 284 HD2 ARG 41 2HD ARG 41 -1.890 -2.757 1.405 285 HD3 ARG 41 1HD ARG 41 -1.404 -3.994 0.250 286 HE ARG 41 HE ARG 41 -2.353 -5.627 1.893 287 HH11 ARG 41 1HH1 ARG 41 -3.489 -2.323 1.794 288 HH12 ARG 41 2HH1 ARG 41 -5.049 -2.712 2.432 289 HH21 ARG 41 1HH2 ARG 41 -4.406 -6.133 2.730 290 HH22 ARG 41 2HH2 ARG 41 -5.570 -4.872 2.964 291 H ASN 42 H ASN 42 3.685 -3.105 -0.566 292 HA ASN 42 HA ASN 42 3.820 -0.189 -0.813 293 HB2 ASN 42 2HB ASN 42 5.929 -2.301 -0.401 294 HB3 ASN 42 1HB ASN 42 6.332 -0.642 -0.816 295 HD21 ASN 42 1HD2 ASN 42 6.326 -2.614 1.659 296 HD22 ASN 42 2HD2 ASN 42 5.908 -1.544 2.948 297 H CYS 43 H CYS 43 5.536 -2.852 -2.452 298 HA CYS 43 HA CYS 43 5.786 -1.293 -4.829 299 HB2 CYS 43 2HB CYS 43 6.902 -3.264 -5.765 300 HB3 CYS 43 1HB CYS 43 7.535 -2.857 -4.176 301 HG CYS 43 HG CYS 43 7.174 -5.248 -3.743 302 H GLY 44 H GLY 44 3.485 -3.613 -3.694 303 HA2 GLY 44 2HA GLY 44 1.449 -4.210 -4.602 304 HA3 GLY 44 1HA GLY 44 1.763 -3.082 -5.912 305 H TYR 45 H TYR 45 4.131 -5.493 -5.276 306 HA TYR 45 HA TYR 45 3.414 -6.827 -7.786 307 HB2 TYR 45 2HB TYR 45 5.967 -7.016 -6.173 308 HB3 TYR 45 1HB TYR 45 5.685 -7.730 -7.753 309 HD1 TYR 45 2HD TYR 45 4.340 -5.500 -9.162 310 HD2 TYR 45 1HD TYR 45 7.687 -5.486 -6.536 311 HE1 TYR 45 2HE TYR 45 5.174 -3.453 -10.242 312 HE2 TYR 45 1HE TYR 45 8.529 -3.441 -7.607 313 HH TYR 45 HH TYR 45 7.050 -2.134 -10.493 314 H VAL 46 H VAL 46 3.675 -9.173 -7.884 315 HA VAL 46 HA VAL 46 2.230 -10.385 -5.733 316 HB VAL 46 HB VAL 46 3.478 -11.700 -8.154 317 HG11 VAL 46 1HG1 VAL 46 3.021 -13.190 -6.181 318 HG12 VAL 46 2HG1 VAL 46 2.167 -13.621 -7.664 319 HG13 VAL 46 3HG1 VAL 46 1.315 -12.783 -6.366 320 HG21 VAL 46 1HG2 VAL 46 0.746 -11.732 -8.468 321 HG22 VAL 46 2HG2 VAL 46 1.859 -10.611 -9.252 322 HG23 VAL 46 3HG2 VAL 46 1.044 -10.144 -7.759 323 H LEU 47 H LEU 47 2.978 -11.493 -4.034 324 HA LEU 47 HA LEU 47 5.757 -12.463 -4.085 325 HB2 LEU 47 2HB LEU 47 4.408 -10.850 -1.925 326 HB3 LEU 47 1HB LEU 47 5.814 -11.839 -1.605 327 HG LEU 47 HG LEU 47 6.410 -9.496 -1.886 328 HD11 LEU 47 1HD1 LEU 47 7.754 -10.160 -4.236 329 HD12 LEU 47 2HD1 LEU 47 7.497 -11.681 -3.385 330 HD13 LEU 47 3HD1 LEU 47 8.325 -10.351 -2.579 331 HD21 LEU 47 1HD2 LEU 47 4.472 -9.316 -3.707 332 HD22 LEU 47 2HD2 LEU 47 5.856 -9.517 -4.782 333 HD23 LEU 47 3HD2 LEU 47 5.824 -8.186 -3.623 334 H CYS 48 H CYS 48 6.088 -14.411 -3.126 335 HA CYS 48 HA CYS 48 3.749 -15.961 -2.435 336 HB2 CYS 48 2HB CYS 48 5.163 -17.861 -2.443 337 HB3 CYS 48 1HB CYS 48 5.805 -16.832 -3.721 338 HG CYS 48 HG CYS 48 7.336 -17.775 -1.342 339 H GLY 49 H GLY 49 4.080 -17.429 -0.329 340 HA2 GLY 49 2HA GLY 49 3.805 -15.783 1.863 341 HA3 GLY 49 1HA GLY 49 4.250 -17.482 1.961 342 H ASP 50 H ASP 50 6.705 -17.662 1.009 343 HA ASP 50 HA ASP 50 8.343 -16.786 3.066 344 HB2 ASP 50 2HB ASP 50 8.955 -17.761 0.287 345 HB3 ASP 50 1HB ASP 50 10.234 -17.311 1.408 346 H CYS 51 H CYS 51 7.651 -15.203 0.024 347 HA CYS 51 HA CYS 51 9.651 -13.159 0.544 348 HB2 CYS 51 2HB CYS 51 7.966 -13.918 -1.776 349 HB3 CYS 51 1HB CYS 51 8.423 -12.222 -1.644 350 HG CYS 51 HG CYS 51 10.784 -12.789 -2.171 351 H SER 52 H SER 52 6.596 -13.725 1.612 352 HA SER 52 HA SER 52 6.134 -10.868 2.067 353 HB2 SER 52 2HB SER 52 3.770 -11.094 1.688 354 HB3 SER 52 1HB SER 52 4.594 -11.764 0.280 355 HG SER 52 HG SER 52 3.750 -13.634 0.712 356 H ARG 53 H ARG 53 7.343 -13.080 3.626 357 HA ARG 53 HA ARG 53 5.436 -13.695 5.701 358 HB2 ARG 53 2HB ARG 53 8.372 -14.276 5.367 359 HB3 ARG 53 1HB ARG 53 7.529 -14.619 6.873 360 HG2 ARG 53 2HG ARG 53 5.939 -16.029 5.530 361 HG3 ARG 53 1HG ARG 53 7.032 -15.815 4.164 362 HD2 ARG 53 2HD ARG 53 8.861 -16.769 5.521 363 HD3 ARG 53 1HD ARG 53 7.704 -17.071 6.818 364 HE ARG 53 HE ARG 53 8.005 -18.562 4.365 365 HH11 ARG 53 1HH1 ARG 53 5.929 -17.794 7.054 366 HH12 ARG 53 2HH1 ARG 53 4.961 -19.221 6.882 367 HH21 ARG 53 1HH2 ARG 53 6.738 -20.445 4.132 368 HH22 ARG 53 2HH2 ARG 53 5.421 -20.727 5.223 369 H HIS 54 H HIS 54 7.675 -11.143 5.044 370 HA HIS 54 HA HIS 54 8.026 -10.384 7.788 371 HB2 HIS 54 2HB HIS 54 8.629 -8.958 5.198 372 HB3 HIS 54 1HB HIS 54 8.969 -8.269 6.774 373 HD1 HIS 54 1HD HIS 54 10.359 -10.368 8.286 374 HD2 HIS 54 2HD HIS 54 10.946 -9.893 4.203 375 HE1 HIS 54 1HE HIS 54 12.589 -11.423 7.802 376 HE2 HIS 54 2HE HIS 54 12.965 -11.040 5.340 377 H ARG 55 H ARG 55 7.415 -8.214 8.552 378 HA ARG 55 HA ARG 55 4.927 -7.197 7.403 379 HB2 ARG 55 2HB ARG 55 5.261 -7.835 10.343 380 HB3 ARG 55 1HB ARG 55 3.849 -7.104 9.587 381 HG2 ARG 55 2HG ARG 55 3.506 -9.146 8.273 382 HG3 ARG 55 1HG ARG 55 4.884 -9.886 9.094 383 HD2 ARG 55 2HD ARG 55 3.680 -9.454 11.260 384 HD3 ARG 55 1HD ARG 55 2.272 -8.999 10.301 385 HE ARG 55 HE ARG 55 3.114 -11.509 9.433 386 HH11 ARG 55 1HH1 ARG 55 1.802 -10.026 12.296 387 HH12 ARG 55 2HH1 ARG 55 1.002 -11.464 12.834 388 HH21 ARG 55 1HH2 ARG 55 2.067 -13.413 10.132 389 HH22 ARG 55 2HH2 ARG 55 1.154 -13.391 11.604 390 H ALA 56 H ALA 56 4.763 -5.033 7.471 391 HA ALA 56 HA ALA 56 6.353 -3.463 9.320 392 HB1 ALA 56 1HB ALA 56 7.003 -3.580 6.396 393 HB2 ALA 56 2HB ALA 56 8.084 -3.756 7.778 394 HB3 ALA 56 3HB ALA 56 7.409 -2.176 7.382 395 H ALA 57 H ALA 57 5.841 -1.209 9.326 396 HA ALA 57 HA ALA 57 3.173 -0.662 8.274 397 HB1 ALA 57 1HB ALA 57 4.891 0.741 10.319 398 HB2 ALA 57 2HB ALA 57 3.414 -0.181 10.602 399 HB3 ALA 57 3HB ALA 57 3.340 1.363 9.755 400 H ILE 58 H ILE 58 2.761 1.207 6.994 401 HA ILE 58 HA ILE 58 5.147 2.440 5.800 402 HB ILE 58 HB ILE 58 2.702 1.947 4.156 403 HG12 ILE 58 2HG1 ILE 58 4.903 -0.102 4.476 404 HG13 ILE 58 1HG1 ILE 58 3.364 -0.209 5.324 405 HG21 ILE 58 1HG2 ILE 58 5.637 1.940 3.468 406 HG22 ILE 58 2HG2 ILE 58 4.583 3.348 3.352 407 HG23 ILE 58 3HG2 ILE 58 4.283 1.936 2.342 408 HD11 ILE 58 1HD1 ILE 58 3.087 0.165 2.447 409 HD12 ILE 58 2HD1 ILE 58 2.309 -0.990 3.529 410 HD13 ILE 58 3HD1 ILE 58 3.924 -1.319 2.903 411 HA PRO 59 HA PRO 59 2.258 5.651 7.519 412 HB2 PRO 59 2HB PRO 59 4.826 7.012 7.999 413 HB3 PRO 59 1HB PRO 59 3.486 6.721 9.107 414 HG2 PRO 59 2HG PRO 59 5.790 5.365 9.308 415 HG3 PRO 59 1HG PRO 59 4.226 4.608 9.664 416 HD2 PRO 59 2HD PRO 59 5.945 4.362 7.226 417 HD3 PRO 59 1HD PRO 59 4.998 3.118 8.069 418 H MET 60 H MET 60 4.458 5.509 4.911 419 HA MET 60 HA MET 60 3.869 8.255 4.091 420 HB2 MET 60 2HB MET 60 5.658 6.121 2.901 421 HB3 MET 60 1HB MET 60 5.432 7.726 2.219 422 HG2 MET 60 2HG MET 60 6.317 8.691 4.320 423 HG3 MET 60 1HG MET 60 6.643 7.055 4.889 424 HE1 MET 60 1HE MET 60 6.908 9.162 1.759 425 HE2 MET 60 2HE MET 60 8.568 8.975 1.199 426 HE3 MET 60 3HE MET 60 8.215 10.017 2.577 427 H ARG 61 H ARG 61 3.316 4.919 3.346 428 HA ARG 61 HA ARG 61 1.679 5.513 1.007 429 HB2 ARG 61 2HB ARG 61 2.354 2.867 2.296 430 HB3 ARG 61 1HB ARG 61 1.527 3.085 0.761 431 HG2 ARG 61 2HG ARG 61 3.632 4.383 0.050 432 HG3 ARG 61 1HG ARG 61 4.392 3.624 1.442 433 HD2 ARG 61 2HD ARG 61 4.897 2.087 -0.170 434 HD3 ARG 61 1HD ARG 61 3.355 1.441 0.391 435 HE ARG 61 HE ARG 61 3.889 2.752 -2.151 436 HH11 ARG 61 1HH1 ARG 61 1.532 1.404 0.039 437 HH12 ARG 61 2HH1 ARG 61 0.285 1.320 -1.158 438 HH21 ARG 61 1HH2 ARG 61 2.252 2.638 -3.726 439 HH22 ARG 61 2HH2 ARG 61 0.692 2.019 -3.296 440 H GLY 62 H GLY 62 0.834 6.398 3.668 441 HA2 GLY 62 2HA GLY 62 -1.157 6.614 4.790 442 HA3 GLY 62 1HA GLY 62 -1.901 5.725 3.471 443 H ILE 63 H ILE 63 0.698 4.261 5.274 444 HA ILE 63 HA ILE 63 -1.279 2.594 6.687 445 HB ILE 63 HB ILE 63 1.325 1.696 5.442 446 HG12 ILE 63 2HG1 ILE 63 -1.516 0.893 4.785 447 HG13 ILE 63 1HG1 ILE 63 -0.589 2.083 3.877 448 HG21 ILE 63 1HG2 ILE 63 -0.648 0.235 7.174 449 HG22 ILE 63 2HG2 ILE 63 1.085 0.442 7.423 450 HG23 ILE 63 3HG2 ILE 63 0.500 -0.596 6.122 451 HD11 ILE 63 1HD1 ILE 63 -0.741 -0.392 3.077 452 HD12 ILE 63 2HD1 ILE 63 0.539 -0.641 4.264 453 HD13 ILE 63 3HD1 ILE 63 0.773 0.502 2.941 454 H THR 64 H THR 64 -1.128 3.532 8.688 455 HA THR 64 HA THR 64 1.478 4.119 9.819 456 HB THR 64 HB THR 64 0.176 4.962 11.763 457 HG1 THR 64 1HG THR 64 -1.702 3.458 10.868 458 HG21 THR 64 1HG2 THR 64 -1.137 6.166 9.390 459 HG22 THR 64 2HG2 THR 64 0.619 6.273 9.536 460 HG23 THR 64 3HG2 THR 64 -0.414 6.938 10.802 461 H GLU 65 H GLU 65 -0.719 1.510 9.818 462 HA GLU 65 HA GLU 65 0.475 0.383 12.252 463 HB2 GLU 65 2HB GLU 65 -1.965 -0.416 10.652 464 HB3 GLU 65 1HB GLU 65 -1.332 -1.355 11.998 465 HG2 GLU 65 2HG GLU 65 -1.561 1.111 13.118 466 HG3 GLU 65 1HG GLU 65 -2.917 1.103 11.990 467 HA PRO 66 HA PRO 66 3.187 -2.098 9.858 468 HB2 PRO 66 2HB PRO 66 2.615 -4.280 11.803 469 HB3 PRO 66 1HB PRO 66 4.167 -3.585 11.326 470 HG2 PRO 66 2HG PRO 66 3.067 -3.016 13.698 471 HG3 PRO 66 1HG PRO 66 3.965 -1.795 12.779 472 HD2 PRO 66 2HD PRO 66 1.019 -2.111 13.139 473 HD3 PRO 66 1HD PRO 66 1.989 -0.629 13.008 474 H GLU 67 H GLU 67 2.667 -2.983 8.001 475 HA GLU 67 HA GLU 67 0.538 -5.010 7.915 476 HB2 GLU 67 2HB GLU 67 1.115 -2.854 5.877 477 HB3 GLU 67 1HB GLU 67 -0.041 -4.154 5.653 478 HG2 GLU 67 2HG GLU 67 -1.286 -3.321 7.625 479 HG3 GLU 67 1HG GLU 67 -0.172 -1.957 7.699 480 H ARG 68 H ARG 68 0.674 -6.376 5.915 481 HA ARG 68 HA ARG 68 3.235 -7.576 5.786 482 HB2 ARG 68 2HB ARG 68 2.201 -9.074 4.126 483 HB3 ARG 68 1HB ARG 68 1.241 -8.904 5.590 484 HG2 ARG 68 2HG ARG 68 -0.132 -7.191 4.365 485 HG3 ARG 68 1HG ARG 68 0.724 -7.669 2.898 486 HD2 ARG 68 2HD ARG 68 -1.288 -8.908 2.922 487 HD3 ARG 68 1HD ARG 68 -0.012 -10.032 3.386 488 HE ARG 68 HE ARG 68 -1.090 -8.929 5.714 489 HH11 ARG 68 1HH1 ARG 68 -2.025 -11.030 3.101 490 HH12 ARG 68 2HH1 ARG 68 -3.176 -11.910 4.048 491 HH21 ARG 68 1HH2 ARG 68 -2.604 -10.078 6.972 492 HH22 ARG 68 2HH2 ARG 68 -3.508 -11.368 6.249 493 H VAL 69 H VAL 69 4.793 -7.515 4.339 494 HA VAL 69 HA VAL 69 4.486 -6.121 1.785 495 HB VAL 69 HB VAL 69 6.539 -4.824 2.115 496 HG11 VAL 69 1HG1 VAL 69 4.269 -4.343 4.018 497 HG12 VAL 69 2HG1 VAL 69 4.563 -3.603 2.443 498 HG13 VAL 69 3HG1 VAL 69 5.596 -3.197 3.815 499 HG21 VAL 69 1HG2 VAL 69 6.491 -6.185 4.763 500 HG22 VAL 69 2HG2 VAL 69 7.141 -4.549 4.667 501 HG23 VAL 69 3HG2 VAL 69 7.851 -5.839 3.694 502 H CYS 70 H CYS 70 6.860 -6.222 0.724 503 HA CYS 70 HA CYS 70 7.627 -9.036 0.884 504 HB2 CYS 70 2HB CYS 70 8.377 -8.912 -1.308 505 HB3 CYS 70 1HB CYS 70 7.009 -7.809 -1.326 506 HG CYS 70 HG CYS 70 9.512 -7.005 -2.357 507 H ASP 71 H ASP 71 10.218 -8.879 -0.120 508 HA ASP 71 HA ASP 71 11.586 -8.062 2.281 509 HB2 ASP 71 2HB ASP 71 12.654 -9.247 -0.291 510 HB3 ASP 71 1HB ASP 71 13.619 -8.965 1.153 511 H ALA 72 H ALA 72 11.586 -6.895 -1.076 512 HA ALA 72 HA ALA 72 13.640 -4.982 -0.651 513 HB1 ALA 72 1HB ALA 72 11.555 -4.568 -2.739 514 HB2 ALA 72 2HB ALA 72 12.638 -5.953 -2.863 515 HB3 ALA 72 3HB ALA 72 13.299 -4.318 -2.821 516 H CYS 73 H CYS 73 10.105 -4.702 -0.643 517 HA CYS 73 HA CYS 73 10.012 -1.925 -0.192 518 HB2 CYS 73 2HB CYS 73 7.958 -3.981 0.642 519 HB3 CYS 73 1HB CYS 73 7.686 -2.262 0.369 520 HG CYS 73 HG CYS 73 8.182 -2.729 -2.198 521 H TYR 74 H TYR 74 10.040 -4.702 2.001 522 HA TYR 74 HA TYR 74 9.612 -3.323 4.394 523 HB2 TYR 74 2HB TYR 74 9.657 -5.793 4.238 524 HB3 TYR 74 1HB TYR 74 11.389 -5.737 3.935 525 HD1 TYR 74 2HD TYR 74 8.762 -5.251 6.467 526 HD2 TYR 74 1HD TYR 74 12.950 -5.373 5.724 527 HE1 TYR 74 2HE TYR 74 9.185 -5.346 8.888 528 HE2 TYR 74 1HE TYR 74 13.383 -5.469 8.141 529 HH TYR 74 HH TYR 74 12.496 -5.395 10.174 530 H LEU 75 H LEU 75 12.505 -3.862 2.485 531 HA LEU 75 HA LEU 75 14.312 -2.632 4.316 532 HB2 LEU 75 2HB LEU 75 14.448 -3.531 1.472 533 HB3 LEU 75 1HB LEU 75 15.736 -2.545 2.127 534 HG LEU 75 HG LEU 75 14.857 -5.124 3.414 535 HD11 LEU 75 1HD1 LEU 75 15.572 -5.537 1.090 536 HD12 LEU 75 2HD1 LEU 75 16.672 -6.234 2.279 537 HD13 LEU 75 3HD1 LEU 75 17.106 -4.741 1.444 538 HD21 LEU 75 1HD2 LEU 75 17.052 -5.022 4.462 539 HD22 LEU 75 2HD2 LEU 75 16.123 -3.566 4.817 540 HD23 LEU 75 3HD2 LEU 75 17.405 -3.521 3.607 541 H ALA 76 H ALA 76 13.016 -1.524 1.175 542 HA ALA 76 HA ALA 76 14.201 0.937 1.065 543 HB1 ALA 76 1HB ALA 76 12.862 0.082 -0.769 544 HB2 ALA 76 2HB ALA 76 12.289 1.684 -0.307 545 HB3 ALA 76 3HB ALA 76 11.395 0.248 0.193 546 H LEU 77 H LEU 77 11.144 0.137 2.682 547 HA LEU 77 HA LEU 77 10.729 2.753 3.717 548 HB2 LEU 77 2HB LEU 77 9.747 0.078 4.727 549 HB3 LEU 77 1HB LEU 77 9.162 1.634 5.276 550 HG LEU 77 HG LEU 77 8.937 0.669 2.425 551 HD11 LEU 77 1HD1 LEU 77 6.550 0.311 2.970 552 HD12 LEU 77 2HD1 LEU 77 6.930 0.581 4.670 553 HD13 LEU 77 3HD1 LEU 77 7.635 -0.792 3.816 554 HD21 LEU 77 1HD2 LEU 77 8.867 3.058 2.541 555 HD22 LEU 77 2HD2 LEU 77 7.757 3.014 3.910 556 HD23 LEU 77 3HD2 LEU 77 7.213 2.483 2.317 557 H ARG 78 H ARG 78 12.263 -0.171 4.871 558 HA ARG 78 HA ARG 78 12.907 0.531 7.471 559 HB2 ARG 78 2HB ARG 78 13.164 -1.721 6.458 560 HB3 ARG 78 1HB ARG 78 14.548 -1.132 5.550 561 HG2 ARG 78 2HG ARG 78 15.609 -0.590 7.778 562 HG3 ARG 78 1HG ARG 78 14.294 -1.513 8.508 563 HD2 ARG 78 2HD ARG 78 14.931 -3.445 7.083 564 HD3 ARG 78 1HD ARG 78 16.319 -2.518 6.518 565 HE ARG 78 HE ARG 78 16.282 -2.660 9.350 566 HH11 ARG 78 1HH1 ARG 78 16.971 -4.531 6.497 567 HH12 ARG 78 2HH1 ARG 78 18.123 -5.554 7.285 568 HH21 ARG 78 1HH2 ARG 78 17.801 -4.006 10.403 569 HH22 ARG 78 2HH2 ARG 78 18.595 -5.256 9.505 570 H SER 79 H SER 79 14.151 1.787 4.510 571 HA SER 79 HA SER 79 16.756 2.484 5.257 572 HB2 SER 79 2HB SER 79 15.759 2.648 2.944 573 HB3 SER 79 1HB SER 79 14.932 4.112 3.477 574 HG SER 79 HG SER 79 17.735 3.774 3.671 575 H SER 80 H SER 80 13.662 4.077 5.823 576 HA SER 80 HA SER 80 14.849 6.410 7.009 577 HB2 SER 80 2HB SER 80 12.625 7.174 7.367 578 HB3 SER 80 1HB SER 80 12.593 6.319 5.824 579 HG SER 80 HG SER 80 10.977 5.326 6.763 580 H ASN 81 H ASN 81 14.470 7.064 9.246 581 HA ASN 81 HA ASN 81 14.805 4.788 11.048 582 HB2 ASN 81 2HB ASN 81 16.436 6.735 11.003 583 HB3 ASN 81 1HB ASN 81 15.158 7.709 11.725 584 HD21 ASN 81 1HD2 ASN 81 16.834 7.938 13.403 585 HD22 ASN 81 2HD2 ASN 81 16.895 6.753 14.658 586 H MET 82 H MET 82 13.207 4.104 12.303 587 HA MET 82 HA MET 82 10.742 5.610 12.451 588 HB2 MET 82 2HB MET 82 11.523 2.912 13.568 589 HB3 MET 82 1HB MET 82 9.918 3.614 13.712 590 HG2 MET 82 2HG MET 82 9.787 3.685 11.235 591 HG3 MET 82 1HG MET 82 11.330 2.834 11.173 592 HE1 MET 82 1HE MET 82 8.008 2.099 13.555 593 HE2 MET 82 2HE MET 82 7.223 1.196 12.261 594 HE3 MET 82 3HE MET 82 7.692 2.877 12.004 595 H ALA 83 H ALA 83 10.125 6.879 14.077 596 HA ALA 83 HA ALA 83 11.858 7.563 16.182 597 HB1 ALA 83 1HB ALA 83 10.463 9.300 15.802 598 HB2 ALA 83 2HB ALA 83 9.523 8.528 17.079 599 HB3 ALA 83 3HB ALA 83 9.101 8.261 15.387 600 H GLY 84 H GLY 84 11.823 7.114 18.375 601 HA2 GLY 84 2HA GLY 84 10.352 6.058 20.172 602 HA3 GLY 84 1HA GLY 84 10.335 4.671 19.092 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -12.503 0.601 -28.695 2 H2 GLY 1 2HT GLY 1 -12.538 2.292 -28.659 3 H3 GLY 1 3HT GLY 1 -13.607 1.405 -27.695 4 HA2 GLY 1 1HA GLY 1 -11.809 0.557 -26.362 5 HA3 GLY 1 2HA GLY 1 -10.654 1.374 -27.405 6 HA PRO 2 HA PRO 2 -13.217 4.563 -24.591 7 HB2 PRO 2 2HB PRO 2 -12.947 2.873 -22.162 8 HB3 PRO 2 1HB PRO 2 -14.276 3.925 -22.660 9 HG2 PRO 2 2HG PRO 2 -14.492 1.273 -22.839 10 HG3 PRO 2 1HG PRO 2 -15.180 2.335 -24.082 11 HD2 PRO 2 2HD PRO 2 -12.685 0.690 -24.160 12 HD3 PRO 2 1HD PRO 2 -13.857 1.024 -25.450 13 H LEU 3 H LEU 3 -12.056 6.122 -23.510 14 HA LEU 3 HA LEU 3 -9.263 5.938 -23.476 15 HB2 LEU 3 2HB LEU 3 -11.002 7.855 -21.919 16 HB3 LEU 3 1HB LEU 3 -9.304 8.076 -22.296 17 HG LEU 3 HG LEU 3 -11.596 8.061 -24.260 18 HD11 LEU 3 1HD1 LEU 3 -9.970 10.381 -24.380 19 HD12 LEU 3 2HD1 LEU 3 -10.409 10.109 -22.693 20 HD13 LEU 3 3HD1 LEU 3 -11.668 10.249 -23.920 21 HD21 LEU 3 1HD2 LEU 3 -9.913 8.571 -25.957 22 HD22 LEU 3 2HD2 LEU 3 -9.636 6.987 -25.233 23 HD23 LEU 3 3HD2 LEU 3 -8.636 8.362 -24.759 24 H GLY 4 H GLY 4 -11.658 5.446 -20.943 25 HA2 GLY 4 2HA GLY 4 -11.453 4.233 -18.983 26 HA3 GLY 4 1HA GLY 4 -9.773 3.920 -19.394 27 H SER 5 H SER 5 -9.581 4.275 -17.011 28 HA SER 5 HA SER 5 -9.959 6.829 -15.872 29 HB2 SER 5 2HB SER 5 -8.038 4.642 -15.038 30 HB3 SER 5 1HB SER 5 -8.536 6.010 -14.043 31 HG SER 5 HG SER 5 -10.145 3.879 -14.993 32 H MET 6 H MET 6 -8.412 8.434 -15.323 33 HA MET 6 HA MET 6 -6.663 9.146 -17.390 34 HB2 MET 6 2HB MET 6 -7.691 10.730 -15.767 35 HB3 MET 6 1HB MET 6 -6.597 10.123 -14.532 36 HG2 MET 6 2HG MET 6 -4.689 10.854 -15.928 37 HG3 MET 6 1HG MET 6 -5.838 11.561 -17.062 38 HE1 MET 6 1HE MET 6 -4.765 13.066 -12.872 39 HE2 MET 6 2HE MET 6 -4.180 11.606 -13.674 40 HE3 MET 6 3HE MET 6 -5.802 11.642 -12.980 41 H GLY 7 H GLY 7 -6.111 7.419 -14.375 42 HA2 GLY 7 2HA GLY 7 -3.655 6.328 -15.363 43 HA3 GLY 7 1HA GLY 7 -3.378 7.537 -14.119 44 H GLU 8 H GLU 8 -2.380 5.461 -13.205 45 HA GLU 8 HA GLU 8 -4.279 3.600 -12.059 46 HB2 GLU 8 2HB GLU 8 -2.430 2.333 -11.355 47 HB3 GLU 8 1HB GLU 8 -1.930 3.013 -12.898 48 HG2 GLU 8 2HG GLU 8 -0.734 4.799 -11.660 49 HG3 GLU 8 1HG GLU 8 -1.142 3.971 -10.158 50 H LYS 9 H LYS 9 -3.757 6.631 -11.283 51 HA LYS 9 HA LYS 9 -3.045 6.669 -8.572 52 HB2 LYS 9 2HB LYS 9 -3.264 8.686 -10.021 53 HB3 LYS 9 1HB LYS 9 -5.010 8.483 -9.991 54 HG2 LYS 9 2HG LYS 9 -4.994 8.800 -7.560 55 HG3 LYS 9 1HG LYS 9 -3.247 9.043 -7.615 56 HD2 LYS 9 2HD LYS 9 -3.623 10.960 -9.156 57 HD3 LYS 9 1HD LYS 9 -5.360 10.754 -8.920 58 HE2 LYS 9 2HE LYS 9 -5.316 11.788 -6.941 59 HE3 LYS 9 1HE LYS 9 -3.901 10.879 -6.411 60 HZ1 LYS 9 1HZ LYS 9 -3.728 13.169 -8.284 61 HZ2 LYS 9 2HZ LYS 9 -2.465 12.417 -7.447 62 HZ3 LYS 9 3HZ LYS 9 -3.602 13.346 -6.606 63 H GLN 10 H GLN 10 -5.757 5.444 -10.192 64 HA GLN 10 HA GLN 10 -7.865 5.720 -8.442 65 HB2 GLN 10 2HB GLN 10 -8.070 4.711 -10.649 66 HB3 GLN 10 1HB GLN 10 -7.092 3.340 -10.142 67 HG2 GLN 10 2HG GLN 10 -8.830 2.712 -8.532 68 HG3 GLN 10 1HG GLN 10 -9.808 4.078 -9.066 69 HE21 GLN 10 1HE2 GLN 10 -10.912 1.637 -9.178 70 HE22 GLN 10 2HE2 GLN 10 -11.034 1.088 -10.811 71 H SER 11 H SER 11 -5.158 3.457 -8.308 72 HA SER 11 HA SER 11 -6.088 2.620 -5.639 73 HB2 SER 11 2HB SER 11 -4.506 0.971 -7.626 74 HB3 SER 11 1HB SER 11 -5.033 0.443 -6.029 75 HG SER 11 HG SER 11 -6.847 1.332 -8.010 76 H LYS 12 H LYS 12 -4.560 2.409 -4.007 77 HA LYS 12 HA LYS 12 -2.421 4.209 -4.023 78 HB2 LYS 12 2HB LYS 12 -2.913 1.830 -2.220 79 HB3 LYS 12 1HB LYS 12 -1.737 3.100 -1.906 80 HG2 LYS 12 2HG LYS 12 -3.587 4.744 -1.873 81 HG3 LYS 12 1HG LYS 12 -4.728 3.410 -2.056 82 HD2 LYS 12 2HD LYS 12 -3.797 2.417 0.034 83 HD3 LYS 12 1HD LYS 12 -2.820 3.873 0.235 84 HE2 LYS 12 2HE LYS 12 -5.213 5.014 -0.084 85 HE3 LYS 12 1HE LYS 12 -5.734 3.466 0.585 86 HZ1 LYS 12 1HZ LYS 12 -4.708 3.876 2.573 87 HZ2 LYS 12 2HZ LYS 12 -5.160 5.449 2.146 88 HZ3 LYS 12 3HZ LYS 12 -3.565 4.936 1.914 89 H GLY 13 H GLY 13 -2.555 0.753 -4.680 90 HA2 GLY 13 2HA GLY 13 0.181 0.932 -5.748 91 HA3 GLY 13 1HA GLY 13 -0.224 -0.363 -4.631 92 H TYR 14 H TYR 14 0.582 -0.280 -7.558 93 HA TYR 14 HA TYR 14 -1.729 -1.256 -8.958 94 HB2 TYR 14 2HB TYR 14 0.017 -0.033 -10.149 95 HB3 TYR 14 1HB TYR 14 1.185 -1.288 -9.749 96 HD1 TYR 14 2HD TYR 14 -1.902 -0.588 -11.669 97 HD2 TYR 14 1HD TYR 14 1.360 -3.250 -11.061 98 HE1 TYR 14 2HE TYR 14 -2.520 -1.804 -13.715 99 HE2 TYR 14 1HE TYR 14 0.752 -4.474 -13.104 100 HH TYR 14 HH TYR 14 -1.990 -3.445 -15.114 101 H TRP 15 H TRP 15 -2.486 -3.246 -8.894 102 HA TRP 15 HA TRP 15 -0.918 -5.380 -7.675 103 HB2 TRP 15 2HB TRP 15 -2.991 -6.639 -7.643 104 HB3 TRP 15 1HB TRP 15 -3.286 -5.020 -7.018 105 HD1 TRP 15 HD TRP 15 -4.463 -3.269 -8.856 106 HE1 TRP 15 1HE TRP 15 -6.267 -3.778 -10.620 107 HE3 TRP 15 3HE TRP 15 -3.905 -8.344 -9.147 108 HZ2 TRP 15 2HZ TRP 15 -7.315 -6.033 -11.957 109 HZ3 TRP 15 3HZ TRP 15 -5.349 -9.601 -10.692 110 HH2 TRP 15 HH TRP 15 -7.018 -8.469 -12.068 111 H GLN 16 H GLN 16 0.291 -6.696 -8.865 112 HA GLN 16 HA GLN 16 -0.121 -6.903 -11.740 113 HB2 GLN 16 2HB GLN 16 2.174 -6.687 -10.761 114 HB3 GLN 16 1HB GLN 16 1.951 -8.248 -9.985 115 HG2 GLN 16 2HG GLN 16 1.725 -9.302 -12.181 116 HG3 GLN 16 1HG GLN 16 1.965 -7.734 -12.952 117 HE21 GLN 16 1HE2 GLN 16 3.620 -9.635 -13.719 118 HE22 GLN 16 2HE2 GLN 16 5.194 -9.434 -13.036 119 H GLU 17 H GLU 17 -1.172 -8.434 -12.712 120 HA GLU 17 HA GLU 17 -2.775 -10.260 -11.397 121 HB2 GLU 17 2HB GLU 17 -1.823 -10.310 -14.260 122 HB3 GLU 17 1HB GLU 17 -3.159 -11.264 -13.627 123 HG2 GLU 17 2HG GLU 17 -4.326 -9.176 -13.034 124 HG3 GLU 17 1HG GLU 17 -3.007 -8.261 -13.763 125 H ASP 18 H ASP 18 -2.819 -12.524 -11.359 126 HA ASP 18 HA ASP 18 -0.509 -13.847 -10.463 127 HB2 ASP 18 2HB ASP 18 -1.844 -15.894 -10.710 128 HB3 ASP 18 1HB ASP 18 -2.756 -14.611 -9.922 129 H GLU 19 H GLU 19 -2.088 -13.853 -13.631 130 HA GLU 19 HA GLU 19 -0.380 -15.755 -14.816 131 HB2 GLU 19 2HB GLU 19 -2.122 -13.611 -16.024 132 HB3 GLU 19 1HB GLU 19 -1.264 -14.813 -16.977 133 HG2 GLU 19 2HG GLU 19 -2.492 -16.590 -15.814 134 HG3 GLU 19 1HG GLU 19 -3.370 -15.366 -14.897 135 H ASP 20 H ASP 20 -0.272 -12.214 -14.755 136 HA ASP 20 HA ASP 20 1.947 -11.997 -16.504 137 HB2 ASP 20 2HB ASP 20 0.849 -10.082 -14.435 138 HB3 ASP 20 1HB ASP 20 2.149 -9.675 -15.551 139 H ALA 21 H ALA 21 1.595 -12.408 -13.066 140 HA ALA 21 HA ALA 21 4.530 -12.464 -12.771 141 HB1 ALA 21 1HB ALA 21 2.379 -11.434 -11.061 142 HB2 ALA 21 2HB ALA 21 4.075 -10.959 -11.166 143 HB3 ALA 21 3HB ALA 21 3.611 -12.370 -10.216 144 HA PRO 22 HA PRO 22 3.083 -16.843 -12.254 145 HB2 PRO 22 2HB PRO 22 4.925 -17.960 -13.864 146 HB3 PRO 22 1HB PRO 22 3.448 -17.228 -14.499 147 HG2 PRO 22 2HG PRO 22 6.209 -16.074 -14.341 148 HG3 PRO 22 1HG PRO 22 5.063 -16.044 -15.695 149 HD2 PRO 22 2HD PRO 22 5.403 -13.945 -14.001 150 HD3 PRO 22 1HD PRO 22 3.857 -14.302 -14.798 151 H ALA 23 H ALA 23 5.913 -15.067 -11.692 152 HA ALA 23 HA ALA 23 6.846 -17.076 -9.764 153 HB1 ALA 23 1HB ALA 23 8.437 -17.421 -11.424 154 HB2 ALA 23 2HB ALA 23 9.215 -16.233 -10.380 155 HB3 ALA 23 3HB ALA 23 8.463 -15.721 -11.889 156 H CYS 24 H CYS 24 8.061 -16.155 -7.968 157 HA CYS 24 HA CYS 24 6.914 -13.797 -6.987 158 HB2 CYS 24 2HB CYS 24 7.963 -15.727 -5.687 159 HB3 CYS 24 1HB CYS 24 9.515 -14.957 -6.004 160 HG CYS 24 HG CYS 24 8.002 -14.288 -3.698 161 H ASN 25 H ASN 25 7.344 -11.755 -7.340 162 HA ASN 25 HA ASN 25 9.291 -10.824 -9.115 163 HB2 ASN 25 2HB ASN 25 7.711 -9.378 -6.982 164 HB3 ASN 25 1HB ASN 25 8.712 -8.562 -8.178 165 HD21 ASN 25 1HD2 ASN 25 8.222 -9.218 -10.484 166 HD22 ASN 25 2HD2 ASN 25 6.551 -9.349 -10.908 167 H GLY 26 H GLY 26 9.430 -11.448 -5.693 168 HA2 GLY 26 2HA GLY 26 11.837 -9.881 -5.328 169 HA3 GLY 26 1HA GLY 26 11.010 -10.825 -4.105 170 H CYS 27 H CYS 27 11.075 -13.362 -4.914 171 HA CYS 27 HA CYS 27 13.959 -13.868 -5.081 172 HB2 CYS 27 2HB CYS 27 13.510 -16.004 -4.013 173 HB3 CYS 27 1HB CYS 27 12.793 -14.697 -3.077 174 HG CYS 27 HG CYS 27 10.917 -16.351 -3.150 175 H GLY 28 H GLY 28 11.378 -13.917 -7.165 176 HA2 GLY 28 2HA GLY 28 11.202 -14.766 -9.283 177 HA3 GLY 28 1HA GLY 28 12.844 -15.361 -9.112 178 H CYS 29 H CYS 29 10.893 -16.520 -6.609 179 HA CYS 29 HA CYS 29 11.059 -19.186 -7.600 180 HB2 CYS 29 2HB CYS 29 10.096 -19.883 -5.574 181 HB3 CYS 29 1HB CYS 29 11.014 -18.444 -5.143 182 HG CYS 29 HG CYS 29 8.940 -17.602 -4.176 183 H VAL 30 H VAL 30 9.491 -20.524 -8.404 184 HA VAL 30 HA VAL 30 7.380 -19.200 -9.841 185 HB VAL 30 HB VAL 30 7.443 -22.154 -9.750 186 HG11 VAL 30 1HG1 VAL 30 7.547 -21.291 -12.362 187 HG12 VAL 30 2HG1 VAL 30 6.641 -20.018 -11.545 188 HG13 VAL 30 3HG1 VAL 30 6.088 -21.690 -11.455 189 HG21 VAL 30 1HG2 VAL 30 9.778 -20.498 -10.483 190 HG22 VAL 30 2HG2 VAL 30 9.350 -21.791 -11.605 191 HG23 VAL 30 3HG2 VAL 30 9.703 -22.167 -9.917 192 H PHE 31 H PHE 31 5.240 -19.255 -9.493 193 HA PHE 31 HA PHE 31 4.319 -20.154 -6.901 194 HB2 PHE 31 2HB PHE 31 2.954 -18.656 -9.142 195 HB3 PHE 31 1HB PHE 31 2.142 -19.115 -7.646 196 HD1 PHE 31 1HD PHE 31 3.037 -18.226 -5.471 197 HD2 PHE 31 2HD PHE 31 4.280 -16.732 -9.256 198 HE1 PHE 31 1HE PHE 31 3.870 -16.181 -4.386 199 HE2 PHE 31 2HE PHE 31 5.115 -14.685 -8.178 200 HZ PHE 31 HZ PHE 31 4.913 -14.408 -5.739 201 H THR 32 H THR 32 3.077 -21.833 -6.488 202 HA THR 32 HA THR 32 2.078 -23.452 -8.732 203 HB THR 32 HB THR 32 2.753 -25.476 -7.651 204 HG1 THR 32 1HG THR 32 4.158 -24.458 -5.578 205 HG21 THR 32 1HG2 THR 32 5.218 -23.976 -7.070 206 HG22 THR 32 2HG2 THR 32 4.574 -23.824 -8.705 207 HG23 THR 32 3HG2 THR 32 4.962 -25.417 -8.054 208 H THR 33 H THR 33 0.500 -25.166 -7.907 209 HA THR 33 HA THR 33 -1.809 -24.003 -6.976 210 HB THR 33 HB THR 33 -0.988 -26.880 -6.551 211 HG1 THR 33 1HG THR 33 -0.842 -26.718 -8.666 212 HG21 THR 33 1HG2 THR 33 -3.762 -25.933 -7.120 213 HG22 THR 33 2HG2 THR 33 -3.143 -25.979 -5.469 214 HG23 THR 33 3HG2 THR 33 -3.219 -27.460 -6.424 215 H THR 34 H THR 34 0.709 -25.596 -5.025 216 HA THR 34 HA THR 34 -0.777 -25.343 -2.609 217 HB THR 34 HB THR 34 1.294 -26.016 -1.477 218 HG1 THR 34 1HG THR 34 2.708 -24.793 -2.861 219 HG21 THR 34 1HG2 THR 34 1.838 -27.910 -3.426 220 HG22 THR 34 2HG2 THR 34 0.133 -27.518 -3.641 221 HG23 THR 34 3HG2 THR 34 0.720 -28.067 -2.071 222 H VAL 35 H VAL 35 1.417 -23.229 -4.331 223 HA VAL 35 HA VAL 35 1.590 -21.460 -2.011 224 HB VAL 35 HB VAL 35 2.869 -21.265 -4.732 225 HG11 VAL 35 1HG1 VAL 35 3.224 -19.478 -2.332 226 HG12 VAL 35 2HG1 VAL 35 2.384 -19.047 -3.822 227 HG13 VAL 35 3HG1 VAL 35 4.117 -19.372 -3.849 228 HG21 VAL 35 1HG2 VAL 35 3.609 -22.609 -2.308 229 HG22 VAL 35 2HG2 VAL 35 4.784 -21.349 -2.690 230 HG23 VAL 35 3HG2 VAL 35 4.418 -22.605 -3.874 231 H ARG 36 H ARG 36 0.007 -20.136 -1.696 232 HA ARG 36 HA ARG 36 -1.819 -19.275 -3.741 233 HB2 ARG 36 2HB ARG 36 -1.474 -18.394 -0.867 234 HB3 ARG 36 1HB ARG 36 -2.789 -17.883 -1.918 235 HG2 ARG 36 2HG ARG 36 -3.490 -20.239 -2.133 236 HG3 ARG 36 1HG ARG 36 -2.218 -20.693 -0.998 237 HD2 ARG 36 2HD ARG 36 -3.255 -19.147 0.666 238 HD3 ARG 36 1HD ARG 36 -4.588 -18.910 -0.462 239 HE ARG 36 HE ARG 36 -4.090 -21.223 1.185 240 HH11 ARG 36 1HH1 ARG 36 -5.709 -19.987 -1.639 241 HH12 ARG 36 2HH1 ARG 36 -6.921 -21.224 -1.644 242 HH21 ARG 36 1HH2 ARG 36 -5.683 -22.854 1.188 243 HH22 ARG 36 2HH2 ARG 36 -6.907 -22.854 -0.036 244 H ARG 37 H ARG 37 -2.104 -17.199 -4.551 245 HA ARG 37 HA ARG 37 0.352 -15.692 -4.805 246 HB2 ARG 37 2HB ARG 37 -1.124 -16.083 -6.753 247 HB3 ARG 37 1HB ARG 37 -2.383 -15.135 -5.971 248 HG2 ARG 37 2HG ARG 37 -0.965 -13.161 -6.042 249 HG3 ARG 37 1HG ARG 37 0.330 -14.107 -6.777 250 HD2 ARG 37 2HD ARG 37 -0.808 -12.888 -8.500 251 HD3 ARG 37 1HD ARG 37 -1.174 -14.602 -8.679 252 HE ARG 37 HE ARG 37 -3.336 -14.107 -7.594 253 HH11 ARG 37 1HH1 ARG 37 -1.565 -11.483 -9.080 254 HH12 ARG 37 2HH1 ARG 37 -2.978 -10.520 -9.340 255 HH21 ARG 37 1HH2 ARG 37 -5.187 -12.841 -7.946 256 HH22 ARG 37 2HH2 ARG 37 -5.033 -11.288 -8.699 257 H HIS 38 H HIS 38 0.764 -13.665 -4.034 258 HA HIS 38 HA HIS 38 -1.310 -12.307 -2.490 259 HB2 HIS 38 2HB HIS 38 1.418 -12.995 -1.377 260 HB3 HIS 38 1HB HIS 38 0.229 -11.961 -0.591 261 HD1 HIS 38 1HD HIS 38 -2.160 -13.268 -0.110 262 HD2 HIS 38 2HD HIS 38 1.247 -15.586 -0.629 263 HE1 HIS 38 1HE HIS 38 -2.713 -15.508 0.890 264 HE2 HIS 38 2HE HIS 38 -0.666 -16.921 0.488 265 H HIS 39 H HIS 39 -0.604 -10.091 -1.831 266 HA HIS 39 HA HIS 39 1.370 -8.979 -3.716 267 HB2 HIS 39 2HB HIS 39 -1.377 -7.875 -3.109 268 HB3 HIS 39 1HB HIS 39 -0.135 -7.010 -4.008 269 HD1 HIS 39 1HD HIS 39 -2.838 -9.438 -4.403 270 HD2 HIS 39 2HD HIS 39 0.531 -8.276 -6.539 271 HE1 HIS 39 1HE HIS 39 -3.169 -10.340 -6.726 272 HE2 HIS 39 2HE HIS 39 -1.076 -9.705 -7.976 273 H CYS 40 H CYS 40 2.510 -7.160 -3.044 274 HA CYS 40 HA CYS 40 2.614 -6.749 -0.155 275 HB2 CYS 40 2HB CYS 40 4.744 -7.101 -1.219 276 HB3 CYS 40 1HB CYS 40 4.389 -5.907 -2.460 277 HG CYS 40 HG CYS 40 4.467 -4.621 0.265 278 H ARG 41 H ARG 41 2.052 -4.860 0.819 279 HA ARG 41 HA ARG 41 0.205 -3.187 -0.532 280 HB2 ARG 41 2HB ARG 41 0.169 -3.858 1.902 281 HB3 ARG 41 1HB ARG 41 1.448 -2.681 2.165 282 HG2 ARG 41 2HG ARG 41 -0.600 -1.655 2.765 283 HG3 ARG 41 1HG ARG 41 -0.085 -0.936 1.236 284 HD2 ARG 41 2HD ARG 41 -1.609 -2.441 0.036 285 HD3 ARG 41 1HD ARG 41 -2.132 -3.128 1.573 286 HE ARG 41 HE ARG 41 -2.524 -0.374 1.703 287 HH11 ARG 41 1HH1 ARG 41 -3.715 -3.101 -0.105 288 HH12 ARG 41 2HH1 ARG 41 -5.280 -2.408 -0.368 289 HH21 ARG 41 1HH2 ARG 41 -4.583 0.545 1.367 290 HH22 ARG 41 2HH2 ARG 41 -5.775 -0.336 0.471 291 H ASN 42 H ASN 42 3.534 -3.073 -0.515 292 HA ASN 42 HA ASN 42 3.654 -0.155 -0.734 293 HB2 ASN 42 2HB ASN 42 5.754 -2.277 -0.335 294 HB3 ASN 42 1HB ASN 42 6.176 -0.627 -0.770 295 HD21 ASN 42 1HD2 ASN 42 6.138 -2.591 1.724 296 HD22 ASN 42 2HD2 ASN 42 5.756 -1.500 3.008 297 H CYS 43 H CYS 43 5.366 -2.800 -2.407 298 HA CYS 43 HA CYS 43 5.585 -1.208 -4.773 299 HB2 CYS 43 2HB CYS 43 6.759 -3.134 -5.723 300 HB3 CYS 43 1HB CYS 43 7.377 -2.734 -4.127 301 HG CYS 43 HG CYS 43 5.357 -4.917 -3.855 302 H GLY 44 H GLY 44 3.344 -3.588 -3.638 303 HA2 GLY 44 2HA GLY 44 1.325 -4.234 -4.551 304 HA3 GLY 44 1HA GLY 44 1.614 -3.099 -5.860 305 H TYR 45 H TYR 45 4.028 -5.459 -5.186 306 HA TYR 45 HA TYR 45 3.390 -6.798 -7.712 307 HB2 TYR 45 2HB TYR 45 5.914 -6.911 -6.048 308 HB3 TYR 45 1HB TYR 45 5.679 -7.686 -7.609 309 HD1 TYR 45 1HD TYR 45 4.306 -5.545 -9.115 310 HD2 TYR 45 2HD TYR 45 7.602 -5.343 -6.431 311 HE1 TYR 45 1HE TYR 45 5.103 -3.516 -10.254 312 HE2 TYR 45 2HE TYR 45 8.406 -3.312 -7.562 313 HH TYR 45 HH TYR 45 7.519 -1.506 -8.955 314 H VAL 46 H VAL 46 3.757 -9.150 -7.804 315 HA VAL 46 HA VAL 46 2.289 -10.377 -5.666 316 HB VAL 46 HB VAL 46 3.464 -11.582 -8.173 317 HG11 VAL 46 1HG1 VAL 46 2.041 -13.538 -7.655 318 HG12 VAL 46 2HG1 VAL 46 1.679 -12.820 -6.084 319 HG13 VAL 46 3HG1 VAL 46 3.332 -13.289 -6.478 320 HG21 VAL 46 1HG2 VAL 46 1.160 -10.012 -7.722 321 HG22 VAL 46 2HG2 VAL 46 0.612 -11.662 -8.015 322 HG23 VAL 46 3HG2 VAL 46 1.633 -10.849 -9.200 323 H LEU 47 H LEU 47 3.063 -11.476 -3.986 324 HA LEU 47 HA LEU 47 5.831 -12.473 -4.091 325 HB2 LEU 47 2HB LEU 47 4.532 -10.948 -1.829 326 HB3 LEU 47 1HB LEU 47 6.021 -11.848 -1.660 327 HG LEU 47 HG LEU 47 6.314 -9.396 -1.896 328 HD11 LEU 47 1HD1 LEU 47 7.983 -9.652 -3.889 329 HD12 LEU 47 2HD1 LEU 47 7.576 -11.359 -3.731 330 HD13 LEU 47 3HD1 LEU 47 8.261 -10.485 -2.362 331 HD21 LEU 47 1HD2 LEU 47 4.435 -9.468 -3.793 332 HD22 LEU 47 2HD2 LEU 47 5.880 -9.518 -4.803 333 HD23 LEU 47 3HD2 LEU 47 5.643 -8.190 -3.666 334 H CYS 48 H CYS 48 6.149 -14.440 -3.133 335 HA CYS 48 HA CYS 48 3.794 -15.961 -2.435 336 HB2 CYS 48 2HB CYS 48 5.167 -17.871 -2.494 337 HB3 CYS 48 1HB CYS 48 5.890 -16.818 -3.707 338 HG CYS 48 HG CYS 48 7.906 -16.479 -2.250 339 H GLY 49 H GLY 49 4.219 -17.481 -0.327 340 HA2 GLY 49 2HA GLY 49 3.900 -15.831 1.875 341 HA3 GLY 49 1HA GLY 49 4.361 -17.524 1.965 342 H ASP 50 H ASP 50 6.812 -17.677 1.004 343 HA ASP 50 HA ASP 50 8.456 -16.799 3.059 344 HB2 ASP 50 2HB ASP 50 9.069 -17.738 0.266 345 HB3 ASP 50 1HB ASP 50 10.342 -17.315 1.404 346 H CYS 51 H CYS 51 7.748 -15.220 0.019 347 HA CYS 51 HA CYS 51 9.724 -13.153 0.538 348 HB2 CYS 51 2HB CYS 51 8.058 -13.945 -1.782 349 HB3 CYS 51 1HB CYS 51 8.481 -12.240 -1.658 350 HG CYS 51 HG CYS 51 10.810 -14.264 -1.542 351 H SER 52 H SER 52 6.683 -13.760 1.603 352 HA SER 52 HA SER 52 6.169 -10.909 2.054 353 HB2 SER 52 2HB SER 52 3.797 -11.211 1.715 354 HB3 SER 52 1HB SER 52 4.630 -11.824 0.287 355 HG SER 52 HG SER 52 4.297 -13.905 1.010 356 H ARG 53 H ARG 53 7.439 -13.094 3.600 357 HA ARG 53 HA ARG 53 5.581 -13.746 5.700 358 HB2 ARG 53 2HB ARG 53 8.532 -14.226 5.336 359 HB3 ARG 53 1HB ARG 53 7.719 -14.594 6.851 360 HG2 ARG 53 2HG ARG 53 6.167 -16.067 5.534 361 HG3 ARG 53 1HG ARG 53 7.232 -15.811 4.152 362 HD2 ARG 53 2HD ARG 53 9.117 -16.689 5.476 363 HD3 ARG 53 1HD ARG 53 8.002 -17.019 6.801 364 HE ARG 53 HE ARG 53 8.280 -18.509 4.332 365 HH11 ARG 53 1HH1 ARG 53 6.341 -17.865 7.154 366 HH12 ARG 53 2HH1 ARG 53 5.478 -19.364 7.061 367 HH21 ARG 53 1HH2 ARG 53 7.152 -20.486 4.204 368 HH22 ARG 53 2HH2 ARG 53 5.937 -20.853 5.384 369 H HIS 54 H HIS 54 7.761 -11.134 5.024 370 HA HIS 54 HA HIS 54 8.068 -10.363 7.773 371 HB2 HIS 54 2HB HIS 54 8.782 -9.041 5.165 372 HB3 HIS 54 1HB HIS 54 8.963 -8.207 6.697 373 HD1 HIS 54 1HD HIS 54 10.461 -9.746 8.507 374 HD2 HIS 54 2HD HIS 54 11.048 -10.319 4.434 375 HE1 HIS 54 1HE HIS 54 12.718 -10.834 8.301 376 HE2 HIS 54 2HE HIS 54 13.104 -11.053 5.821 377 H ARG 55 H ARG 55 7.476 -8.161 8.480 378 HA ARG 55 HA ARG 55 5.016 -7.135 7.296 379 HB2 ARG 55 2HB ARG 55 5.274 -7.901 10.209 380 HB3 ARG 55 1HB ARG 55 3.931 -6.998 9.518 381 HG2 ARG 55 2HG ARG 55 3.456 -8.917 8.034 382 HG3 ARG 55 1HG ARG 55 4.723 -9.823 8.861 383 HD2 ARG 55 2HD ARG 55 2.212 -8.703 10.097 384 HD3 ARG 55 1HD ARG 55 2.552 -10.402 9.766 385 HE ARG 55 HE ARG 55 4.594 -9.651 11.382 386 HH11 ARG 55 1HH1 ARG 55 1.126 -9.426 11.610 387 HH12 ARG 55 2HH1 ARG 55 1.101 -9.540 13.339 388 HH21 ARG 55 1HH2 ARG 55 4.575 -9.802 13.661 389 HH22 ARG 55 2HH2 ARG 55 3.063 -9.755 14.506 390 H ALA 56 H ALA 56 4.806 -4.971 7.436 391 HA ALA 56 HA ALA 56 6.357 -3.406 9.316 392 HB1 ALA 56 1HB ALA 56 7.090 -3.506 6.411 393 HB2 ALA 56 2HB ALA 56 8.132 -3.673 7.823 394 HB3 ALA 56 3HB ALA 56 7.454 -2.098 7.411 395 H ALA 57 H ALA 57 5.830 -1.148 9.318 396 HA ALA 57 HA ALA 57 3.165 -0.630 8.269 397 HB1 ALA 57 1HB ALA 57 3.156 1.299 9.715 398 HB2 ALA 57 2HB ALA 57 4.882 1.122 10.034 399 HB3 ALA 57 3HB ALA 57 3.745 -0.085 10.637 400 H ILE 58 H ILE 58 2.730 1.330 7.028 401 HA ILE 58 HA ILE 58 5.096 2.369 5.628 402 HB ILE 58 HB ILE 58 2.508 1.962 4.185 403 HG12 ILE 58 2HG1 ILE 58 4.679 -0.129 4.451 404 HG13 ILE 58 1HG1 ILE 58 3.115 -0.204 5.257 405 HG21 ILE 58 1HG2 ILE 58 3.931 1.908 2.248 406 HG22 ILE 58 2HG2 ILE 58 5.375 1.883 3.256 407 HG23 ILE 58 3HG2 ILE 58 4.348 3.317 3.219 408 HD11 ILE 58 1HD1 ILE 58 2.939 0.176 2.370 409 HD12 ILE 58 2HD1 ILE 58 2.086 -0.948 3.429 410 HD13 ILE 58 3HD1 ILE 58 3.709 -1.333 2.859 411 HA PRO 59 HA PRO 59 2.568 5.817 7.403 412 HB2 PRO 59 2HB PRO 59 4.750 7.388 7.917 413 HB3 PRO 59 1HB PRO 59 4.087 6.208 9.052 414 HG2 PRO 59 2HG PRO 59 6.415 5.945 7.191 415 HG3 PRO 59 1HG PRO 59 6.253 5.397 8.870 416 HD2 PRO 59 2HD PRO 59 6.003 3.708 6.786 417 HD3 PRO 59 1HD PRO 59 5.051 3.514 8.273 418 H MET 60 H MET 60 4.626 5.505 4.652 419 HA MET 60 HA MET 60 4.199 8.252 3.790 420 HB2 MET 60 2HB MET 60 5.497 5.877 2.432 421 HB3 MET 60 1HB MET 60 5.419 7.499 1.756 422 HG2 MET 60 2HG MET 60 6.703 8.323 3.702 423 HG3 MET 60 1HG MET 60 6.860 6.658 4.261 424 HE1 MET 60 1HE MET 60 8.297 9.401 1.829 425 HE2 MET 60 2HE MET 60 7.068 8.561 0.882 426 HE3 MET 60 3HE MET 60 8.771 8.405 0.452 427 H ARG 61 H ARG 61 3.130 4.999 3.145 428 HA ARG 61 HA ARG 61 1.340 5.788 1.005 429 HB2 ARG 61 2HB ARG 61 1.537 3.125 2.411 430 HB3 ARG 61 1HB ARG 61 0.791 3.449 0.852 431 HG2 ARG 61 2HG ARG 61 3.721 3.777 1.463 432 HG3 ARG 61 1HG ARG 61 3.001 2.381 0.660 433 HD2 ARG 61 2HD ARG 61 2.480 5.092 -0.448 434 HD3 ARG 61 1HD ARG 61 4.066 4.367 -0.706 435 HE ARG 61 HE ARG 61 2.055 2.512 -1.377 436 HH11 ARG 61 1HH1 ARG 61 3.474 5.486 -2.503 437 HH12 ARG 61 2HH1 ARG 61 3.146 5.162 -4.173 438 HH21 ARG 61 1HH2 ARG 61 1.624 2.072 -3.572 439 HH22 ARG 61 2HH2 ARG 61 2.093 3.221 -4.780 440 H GLY 62 H GLY 62 1.217 6.259 4.180 441 HA2 GLY 62 2HA GLY 62 -0.640 7.124 5.343 442 HA3 GLY 62 1HA GLY 62 -1.701 6.324 4.194 443 H ILE 63 H ILE 63 0.710 4.225 5.237 444 HA ILE 63 HA ILE 63 -1.193 2.884 7.009 445 HB ILE 63 HB ILE 63 1.356 1.873 5.729 446 HG12 ILE 63 2HG1 ILE 63 -1.490 1.155 5.033 447 HG13 ILE 63 1HG1 ILE 63 -0.600 2.431 4.209 448 HG21 ILE 63 1HG2 ILE 63 -0.702 0.518 7.442 449 HG22 ILE 63 2HG2 ILE 63 1.047 0.575 7.656 450 HG23 ILE 63 3HG2 ILE 63 0.352 -0.379 6.346 451 HD11 ILE 63 1HD1 ILE 63 0.363 -0.409 4.368 452 HD12 ILE 63 2HD1 ILE 63 0.964 0.890 3.334 453 HD13 ILE 63 3HD1 ILE 63 -0.640 0.212 3.057 454 H THR 64 H THR 64 -0.952 3.748 9.013 455 HA THR 64 HA THR 64 1.690 4.317 10.065 456 HB THR 64 HB THR 64 0.471 5.160 12.045 457 HG1 THR 64 1HG THR 64 -1.476 4.499 12.345 458 HG21 THR 64 1HG2 THR 64 0.830 6.563 9.950 459 HG22 THR 64 2HG2 THR 64 -0.401 7.100 11.096 460 HG23 THR 64 3HG2 THR 64 -0.877 6.269 9.615 461 H GLU 65 H GLU 65 -0.495 1.699 10.084 462 HA GLU 65 HA GLU 65 0.782 0.546 12.465 463 HB2 GLU 65 2HB GLU 65 -1.717 -0.270 10.967 464 HB3 GLU 65 1HB GLU 65 -1.045 -1.151 12.333 465 HG2 GLU 65 2HG GLU 65 -1.246 1.169 13.532 466 HG3 GLU 65 1HG GLU 65 -2.439 1.476 12.271 467 HA PRO 66 HA PRO 66 3.301 -2.010 9.957 468 HB2 PRO 66 2HB PRO 66 3.264 -4.346 11.470 469 HB3 PRO 66 1HB PRO 66 4.336 -2.974 11.756 470 HG2 PRO 66 2HG PRO 66 1.770 -3.687 13.103 471 HG3 PRO 66 1HG PRO 66 3.250 -3.003 13.798 472 HD2 PRO 66 2HD PRO 66 1.076 -1.491 13.317 473 HD3 PRO 66 1HD PRO 66 2.721 -0.850 13.115 474 H GLU 67 H GLU 67 2.725 -2.889 8.121 475 HA GLU 67 HA GLU 67 0.517 -4.834 8.072 476 HB2 GLU 67 2HB GLU 67 1.164 -2.721 6.006 477 HB3 GLU 67 1HB GLU 67 -0.080 -3.947 5.836 478 HG2 GLU 67 2HG GLU 67 -0.012 -1.781 7.921 479 HG3 GLU 67 1HG GLU 67 -1.028 -1.810 6.480 480 H ARG 68 H ARG 68 0.577 -6.200 6.039 481 HA ARG 68 HA ARG 68 3.104 -7.487 5.887 482 HB2 ARG 68 2HB ARG 68 2.022 -9.018 4.341 483 HB3 ARG 68 1HB ARG 68 0.990 -8.705 5.731 484 HG2 ARG 68 2HG ARG 68 -0.179 -6.975 4.288 485 HG3 ARG 68 1HG ARG 68 0.696 -7.677 2.926 486 HD2 ARG 68 2HD ARG 68 -0.269 -9.889 3.524 487 HD3 ARG 68 1HD ARG 68 -1.231 -9.088 4.765 488 HE ARG 68 HE ARG 68 -2.607 -8.232 3.124 489 HH11 ARG 68 1HH1 ARG 68 0.196 -9.712 1.683 490 HH12 ARG 68 2HH1 ARG 68 -0.449 -9.677 0.077 491 HH21 ARG 68 1HH2 ARG 68 -3.469 -8.182 1.010 492 HH22 ARG 68 2HH2 ARG 68 -2.532 -8.805 -0.306 493 H VAL 69 H VAL 69 4.640 -7.458 4.421 494 HA VAL 69 HA VAL 69 4.327 -6.084 1.861 495 HB VAL 69 HB VAL 69 6.384 -4.788 2.168 496 HG11 VAL 69 1HG1 VAL 69 4.442 -3.533 2.475 497 HG12 VAL 69 2HG1 VAL 69 5.428 -3.161 3.893 498 HG13 VAL 69 3HG1 VAL 69 4.085 -4.297 4.027 499 HG21 VAL 69 1HG2 VAL 69 6.283 -5.992 4.913 500 HG22 VAL 69 2HG2 VAL 69 7.097 -4.455 4.623 501 HG23 VAL 69 3HG2 VAL 69 7.636 -5.912 3.784 502 H CYS 70 H CYS 70 6.707 -6.187 0.809 503 HA CYS 70 HA CYS 70 7.470 -9.003 0.967 504 HB2 CYS 70 2HB CYS 70 8.155 -8.891 -1.233 505 HB3 CYS 70 1HB CYS 70 6.849 -7.713 -1.234 506 HG CYS 70 HG CYS 70 9.037 -6.812 -2.444 507 H ASP 71 H ASP 71 10.060 -8.794 -0.080 508 HA ASP 71 HA ASP 71 11.442 -7.989 2.325 509 HB2 ASP 71 2HB ASP 71 12.472 -9.192 -0.255 510 HB3 ASP 71 1HB ASP 71 13.468 -8.889 1.165 511 H ALA 72 H ALA 72 11.460 -6.862 -1.051 512 HA ALA 72 HA ALA 72 13.494 -4.933 -0.646 513 HB1 ALA 72 1HB ALA 72 13.184 -5.456 -2.872 514 HB2 ALA 72 2HB ALA 72 12.388 -3.887 -2.750 515 HB3 ALA 72 3HB ALA 72 11.426 -5.366 -2.758 516 H CYS 73 H CYS 73 9.954 -4.648 -0.625 517 HA CYS 73 HA CYS 73 9.866 -1.873 -0.160 518 HB2 CYS 73 2HB CYS 73 7.826 -3.947 0.676 519 HB3 CYS 73 1HB CYS 73 7.542 -2.222 0.447 520 HG CYS 73 HG CYS 73 8.093 -4.204 -1.885 521 H TYR 74 H TYR 74 9.935 -4.655 2.024 522 HA TYR 74 HA TYR 74 9.533 -3.283 4.428 523 HB2 TYR 74 2HB TYR 74 9.575 -5.751 4.274 524 HB3 TYR 74 1HB TYR 74 11.300 -5.697 3.926 525 HD1 TYR 74 1HD TYR 74 8.744 -5.184 6.532 526 HD2 TYR 74 2HD TYR 74 12.907 -5.374 5.673 527 HE1 TYR 74 1HE TYR 74 9.232 -5.292 8.940 528 HE2 TYR 74 2HE TYR 74 13.404 -5.481 8.079 529 HH TYR 74 HH TYR 74 11.312 -4.649 10.429 530 H LEU 75 H LEU 75 12.392 -3.799 2.469 531 HA LEU 75 HA LEU 75 14.239 -2.588 4.274 532 HB2 LEU 75 2HB LEU 75 14.321 -3.392 1.389 533 HB3 LEU 75 1HB LEU 75 15.645 -2.505 2.110 534 HG LEU 75 HG LEU 75 14.633 -5.164 3.120 535 HD11 LEU 75 1HD1 LEU 75 15.921 -4.810 0.767 536 HD12 LEU 75 2HD1 LEU 75 16.065 -6.252 1.773 537 HD13 LEU 75 3HD1 LEU 75 17.286 -4.983 1.871 538 HD21 LEU 75 1HD2 LEU 75 16.698 -3.240 4.003 539 HD22 LEU 75 2HD2 LEU 75 17.128 -4.950 4.054 540 HD23 LEU 75 3HD2 LEU 75 15.719 -4.368 4.942 541 H ALA 76 H ALA 76 12.894 -1.449 1.165 542 HA ALA 76 HA ALA 76 14.078 1.019 1.071 543 HB1 ALA 76 1HB ALA 76 11.488 -0.025 0.037 544 HB2 ALA 76 2HB ALA 76 12.884 0.600 -0.841 545 HB3 ALA 76 3HB ALA 76 11.777 1.713 -0.039 546 H LEU 77 H LEU 77 11.038 0.189 2.701 547 HA LEU 77 HA LEU 77 10.602 2.790 3.754 548 HB2 LEU 77 2HB LEU 77 9.667 0.087 4.739 549 HB3 LEU 77 1HB LEU 77 9.083 1.621 5.352 550 HG LEU 77 HG LEU 77 8.785 0.722 2.484 551 HD11 LEU 77 1HD1 LEU 77 6.774 0.671 4.730 552 HD12 LEU 77 2HD1 LEU 77 7.522 -0.735 3.972 553 HD13 LEU 77 3HD1 LEU 77 6.447 0.302 3.037 554 HD21 LEU 77 1HD2 LEU 77 7.022 2.549 2.527 555 HD22 LEU 77 2HD2 LEU 77 8.704 3.079 2.556 556 HD23 LEU 77 3HD2 LEU 77 7.755 3.081 4.042 557 H ARG 78 H ARG 78 12.188 -0.118 4.895 558 HA ARG 78 HA ARG 78 12.868 0.610 7.481 559 HB2 ARG 78 2HB ARG 78 13.115 -1.651 6.537 560 HB3 ARG 78 1HB ARG 78 14.438 -1.084 5.530 561 HG2 ARG 78 2HG ARG 78 15.543 -0.414 7.762 562 HG3 ARG 78 1HG ARG 78 14.356 -1.504 8.478 563 HD2 ARG 78 2HD ARG 78 16.301 -2.796 8.110 564 HD3 ARG 78 1HD ARG 78 15.152 -3.258 6.857 565 HE ARG 78 HE ARG 78 16.544 -1.403 5.578 566 HH11 ARG 78 1HH1 ARG 78 17.630 -4.035 7.592 567 HH12 ARG 78 2HH1 ARG 78 19.152 -4.191 6.780 568 HH21 ARG 78 1HH2 ARG 78 18.545 -1.609 4.509 569 HH22 ARG 78 2HH2 ARG 78 19.672 -2.815 5.033 570 H SER 79 H SER 79 14.049 1.853 4.501 571 HA SER 79 HA SER 79 16.667 2.579 5.270 572 HB2 SER 79 2HB SER 79 14.831 3.883 3.249 573 HB3 SER 79 1HB SER 79 16.572 4.137 3.370 574 HG SER 79 HG SER 79 16.670 1.744 3.095 575 H SER 80 H SER 80 17.471 4.709 5.750 576 HA SER 80 HA SER 80 15.531 6.346 7.246 577 HB2 SER 80 2HB SER 80 17.303 6.928 8.798 578 HB3 SER 80 1HB SER 80 17.201 5.171 8.679 579 HG SER 80 HG SER 80 19.142 6.912 7.607 580 H ASN 81 H ASN 81 15.932 8.640 7.302 581 HA ASN 81 HA ASN 81 16.402 9.774 4.815 582 HB2 ASN 81 2HB ASN 81 16.354 11.924 5.932 583 HB3 ASN 81 1HB ASN 81 15.154 10.864 6.664 584 HD21 ASN 81 1HD2 ASN 81 15.941 13.043 8.025 585 HD22 ASN 81 2HD2 ASN 81 16.927 12.598 9.372 586 H MET 82 H MET 82 18.125 10.624 3.783 587 HA MET 82 HA MET 82 20.749 9.932 4.798 588 HB2 MET 82 2HB MET 82 19.855 11.150 2.182 589 HB3 MET 82 1HB MET 82 21.524 10.757 2.568 590 HG2 MET 82 2HG MET 82 20.823 8.391 2.884 591 HG3 MET 82 1HG MET 82 19.222 8.843 2.301 592 HE1 MET 82 1HE MET 82 22.837 9.072 1.808 593 HE2 MET 82 2HE MET 82 23.022 9.697 0.170 594 HE3 MET 82 3HE MET 82 23.039 7.957 0.456 595 H ALA 83 H ALA 83 22.407 11.352 5.257 596 HA ALA 83 HA ALA 83 21.684 13.848 6.369 597 HB1 ALA 83 1HB ALA 83 23.522 12.981 7.417 598 HB2 ALA 83 2HB ALA 83 24.305 14.112 6.315 599 HB3 ALA 83 3HB ALA 83 24.242 12.396 5.917 600 H GLY 84 H GLY 84 22.760 12.898 3.207 601 HA2 GLY 84 2HA GLY 84 22.012 14.706 1.554 602 HA3 GLY 84 1HA GLY 84 23.116 15.728 2.461 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 5.987 24.069 -21.022 2 H2 GLY 1 2HT GLY 1 6.081 24.446 -19.375 3 H3 GLY 1 3HT GLY 1 6.299 22.851 -19.891 4 HA2 GLY 1 1HA GLY 1 8.086 25.031 -20.780 5 HA3 GLY 1 2HA GLY 1 8.373 24.157 -19.283 6 HA PRO 2 HA PRO 2 9.986 21.841 -23.144 7 HB2 PRO 2 2HB PRO 2 12.582 22.597 -23.136 8 HB3 PRO 2 1HB PRO 2 11.336 23.486 -24.021 9 HG2 PRO 2 2HG PRO 2 12.547 24.079 -21.346 10 HG3 PRO 2 1HG PRO 2 12.186 25.190 -22.682 11 HD2 PRO 2 2HD PRO 2 10.575 24.929 -20.513 12 HD3 PRO 2 1HD PRO 2 9.956 25.333 -22.126 13 H LEU 3 H LEU 3 10.535 22.133 -19.851 14 HA LEU 3 HA LEU 3 12.577 20.108 -19.612 15 HB2 LEU 3 2HB LEU 3 10.799 21.270 -17.469 16 HB3 LEU 3 1HB LEU 3 12.277 20.359 -17.221 17 HG LEU 3 HG LEU 3 12.058 23.108 -18.449 18 HD11 LEU 3 1HD1 LEU 3 12.046 23.723 -16.304 19 HD12 LEU 3 2HD1 LEU 3 13.743 23.241 -16.296 20 HD13 LEU 3 3HD1 LEU 3 12.503 22.113 -15.744 21 HD21 LEU 3 1HD2 LEU 3 14.092 21.100 -18.705 22 HD22 LEU 3 2HD2 LEU 3 14.719 22.490 -17.820 23 HD23 LEU 3 3HD2 LEU 3 14.012 22.710 -19.421 24 H GLY 4 H GLY 4 12.313 17.991 -18.994 25 HA2 GLY 4 2HA GLY 4 9.699 16.972 -18.282 26 HA3 GLY 4 1HA GLY 4 10.267 16.468 -19.866 27 H SER 5 H SER 5 10.099 15.581 -16.709 28 HA SER 5 HA SER 5 12.295 13.664 -17.057 29 HB2 SER 5 2HB SER 5 13.014 13.927 -14.769 30 HB3 SER 5 1HB SER 5 12.998 15.522 -15.521 31 HG SER 5 HG SER 5 10.719 15.532 -14.579 32 H MET 6 H MET 6 12.064 11.710 -15.800 33 HA MET 6 HA MET 6 9.262 11.156 -15.066 34 HB2 MET 6 2HB MET 6 11.272 9.302 -16.362 35 HB3 MET 6 1HB MET 6 9.673 8.821 -15.810 36 HG2 MET 6 2HG MET 6 8.703 10.481 -17.389 37 HG3 MET 6 1HG MET 6 10.327 10.764 -18.010 38 HE1 MET 6 1HE MET 6 7.806 6.957 -18.551 39 HE2 MET 6 2HE MET 6 7.235 8.500 -17.916 40 HE3 MET 6 3HE MET 6 8.312 7.493 -16.949 41 H GLY 7 H GLY 7 8.894 9.783 -13.286 42 HA2 GLY 7 2HA GLY 7 10.762 8.356 -11.838 43 HA3 GLY 7 1HA GLY 7 10.842 9.997 -11.216 44 H GLU 8 H GLU 8 9.180 10.792 -9.960 45 HA GLU 8 HA GLU 8 7.678 8.888 -8.517 46 HB2 GLU 8 2HB GLU 8 7.449 11.901 -8.612 47 HB3 GLU 8 1HB GLU 8 6.595 10.880 -7.461 48 HG2 GLU 8 2HG GLU 8 8.770 10.061 -6.631 49 HG3 GLU 8 1HG GLU 8 9.577 11.185 -7.723 50 H LYS 9 H LYS 9 7.083 10.264 -11.530 51 HA LYS 9 HA LYS 9 4.273 10.510 -11.468 52 HB2 LYS 9 2HB LYS 9 6.133 9.825 -13.755 53 HB3 LYS 9 1HB LYS 9 4.424 10.198 -13.947 54 HG2 LYS 9 2HG LYS 9 4.837 12.423 -12.959 55 HG3 LYS 9 1HG LYS 9 6.559 12.041 -12.894 56 HD2 LYS 9 2HD LYS 9 6.538 11.716 -15.348 57 HD3 LYS 9 1HD LYS 9 4.843 12.212 -15.372 58 HE2 LYS 9 2HE LYS 9 6.628 14.070 -13.978 59 HE3 LYS 9 1HE LYS 9 6.975 13.883 -15.697 60 HZ1 LYS 9 1HZ LYS 9 5.271 15.201 -16.138 61 HZ2 LYS 9 2HZ LYS 9 4.927 15.362 -14.491 62 HZ3 LYS 9 3HZ LYS 9 4.206 14.122 -15.386 63 H GLN 10 H GLN 10 6.196 7.881 -10.937 64 HA GLN 10 HA GLN 10 4.853 5.781 -12.254 65 HB2 GLN 10 2HB GLN 10 7.089 5.509 -11.370 66 HB3 GLN 10 1HB GLN 10 6.531 5.859 -9.739 67 HG2 GLN 10 2HG GLN 10 5.201 3.801 -9.765 68 HG3 GLN 10 1HG GLN 10 5.780 3.455 -11.395 69 HE21 GLN 10 1HE2 GLN 10 6.191 1.565 -9.582 70 HE22 GLN 10 2HE2 GLN 10 7.847 1.498 -9.095 71 H SER 11 H SER 11 3.154 4.498 -11.635 72 HA SER 11 HA SER 11 1.218 5.569 -9.884 73 HB2 SER 11 2HB SER 11 1.408 2.729 -10.921 74 HB3 SER 11 1HB SER 11 -0.037 3.522 -10.293 75 HG SER 11 HG SER 11 1.420 4.300 -12.602 76 H LYS 12 H LYS 12 0.410 4.692 -7.897 77 HA LYS 12 HA LYS 12 2.425 3.153 -6.396 78 HB2 LYS 12 2HB LYS 12 0.675 5.409 -5.403 79 HB3 LYS 12 1HB LYS 12 1.708 4.419 -4.380 80 HG2 LYS 12 2HG LYS 12 3.667 5.194 -5.682 81 HG3 LYS 12 1HG LYS 12 2.595 6.267 -6.585 82 HD2 LYS 12 2HD LYS 12 1.953 7.346 -4.444 83 HD3 LYS 12 1HD LYS 12 3.137 6.330 -3.617 84 HE2 LYS 12 2HE LYS 12 3.803 8.226 -5.865 85 HE3 LYS 12 1HE LYS 12 3.947 8.631 -4.156 86 HZ1 LYS 12 1HZ LYS 12 5.798 7.308 -5.775 87 HZ2 LYS 12 2HZ LYS 12 5.266 6.198 -4.614 88 HZ3 LYS 12 3HZ LYS 12 5.929 7.677 -4.128 89 H GLY 13 H GLY 13 1.739 1.412 -5.284 90 HA2 GLY 13 2HA GLY 13 0.295 -0.074 -4.256 91 HA3 GLY 13 1HA GLY 13 -1.000 1.094 -4.462 92 H TYR 14 H TYR 14 0.941 0.011 -7.152 93 HA TYR 14 HA TYR 14 -1.421 -0.919 -8.504 94 HB2 TYR 14 2HB TYR 14 0.347 0.280 -9.713 95 HB3 TYR 14 1HB TYR 14 1.470 -1.035 -9.379 96 HD1 TYR 14 1HD TYR 14 -1.580 -0.094 -11.232 97 HD2 TYR 14 2HD TYR 14 1.443 -3.034 -10.676 98 HE1 TYR 14 1HE TYR 14 -2.322 -1.233 -13.280 99 HE2 TYR 14 2HE TYR 14 0.711 -4.183 -12.724 100 HH TYR 14 HH TYR 14 -2.223 -3.455 -14.289 101 H TRP 15 H TRP 15 -2.208 -2.894 -8.425 102 HA TRP 15 HA TRP 15 -0.605 -5.062 -7.294 103 HB2 TRP 15 2HB TRP 15 -2.814 -6.302 -7.354 104 HB3 TRP 15 1HB TRP 15 -2.766 -4.884 -6.310 105 HD1 TRP 15 HD TRP 15 -4.214 -6.065 -9.669 106 HE1 TRP 15 1HE TRP 15 -6.201 -4.546 -10.274 107 HE3 TRP 15 3HE TRP 15 -3.772 -2.625 -5.915 108 HZ2 TRP 15 2HZ TRP 15 -7.424 -2.198 -9.285 109 HZ3 TRP 15 3HZ TRP 15 -5.391 -0.774 -5.813 110 HH2 TRP 15 HH TRP 15 -7.178 -0.567 -7.465 111 H GLN 16 H GLN 16 0.461 -6.403 -8.578 112 HA GLN 16 HA GLN 16 -0.162 -6.564 -11.410 113 HB2 GLN 16 2HB GLN 16 2.195 -6.452 -10.631 114 HB3 GLN 16 1HB GLN 16 1.974 -7.985 -9.800 115 HG2 GLN 16 2HG GLN 16 1.567 -9.094 -11.927 116 HG3 GLN 16 1HG GLN 16 1.749 -7.557 -12.771 117 HE21 GLN 16 1HE2 GLN 16 3.312 -9.492 -13.628 118 HE22 GLN 16 2HE2 GLN 16 4.943 -9.292 -13.097 119 H GLU 17 H GLU 17 -1.226 -8.090 -12.393 120 HA GLU 17 HA GLU 17 -2.864 -9.859 -11.022 121 HB2 GLU 17 2HB GLU 17 -2.036 -9.880 -13.922 122 HB3 GLU 17 1HB GLU 17 -3.352 -10.837 -13.255 123 HG2 GLU 17 2HG GLU 17 -4.474 -8.759 -12.559 124 HG3 GLU 17 1HG GLU 17 -3.179 -7.833 -13.316 125 H ASP 18 H ASP 18 -2.990 -12.132 -11.039 126 HA ASP 18 HA ASP 18 -0.733 -13.528 -10.167 127 HB2 ASP 18 2HB ASP 18 -3.270 -14.602 -11.405 128 HB3 ASP 18 1HB ASP 18 -2.112 -15.539 -10.464 129 H GLU 19 H GLU 19 -2.273 -13.471 -13.361 130 HA GLU 19 HA GLU 19 -0.581 -15.397 -14.536 131 HB2 GLU 19 2HB GLU 19 -2.295 -13.241 -15.755 132 HB3 GLU 19 1HB GLU 19 -1.456 -14.465 -16.697 133 HG2 GLU 19 2HG GLU 19 -2.704 -16.211 -15.498 134 HG3 GLU 19 1HG GLU 19 -3.574 -14.956 -14.615 135 H ASP 20 H ASP 20 -0.426 -11.854 -14.505 136 HA ASP 20 HA ASP 20 1.762 -11.668 -16.283 137 HB2 ASP 20 2HB ASP 20 0.765 -9.755 -14.160 138 HB3 ASP 20 1HB ASP 20 2.040 -9.364 -15.312 139 H ALA 21 H ALA 21 1.495 -12.114 -12.845 140 HA ALA 21 HA ALA 21 4.433 -12.251 -12.633 141 HB1 ALA 21 1HB ALA 21 2.670 -10.770 -11.114 142 HB2 ALA 21 2HB ALA 21 4.330 -11.175 -10.677 143 HB3 ALA 21 3HB ALA 21 2.997 -12.177 -10.101 144 HA PRO 22 HA PRO 22 2.806 -16.597 -12.185 145 HB2 PRO 22 2HB PRO 22 4.600 -17.732 -13.858 146 HB3 PRO 22 1HB PRO 22 3.103 -16.991 -14.432 147 HG2 PRO 22 2HG PRO 22 5.870 -15.850 -14.372 148 HG3 PRO 22 1HG PRO 22 4.671 -15.802 -15.679 149 HD2 PRO 22 2HD PRO 22 5.084 -13.712 -14.008 150 HD3 PRO 22 1HD PRO 22 3.490 -14.077 -14.702 151 H ALA 23 H ALA 23 5.734 -14.940 -11.699 152 HA ALA 23 HA ALA 23 6.619 -16.997 -9.798 153 HB1 ALA 23 1HB ALA 23 8.115 -17.411 -11.546 154 HB2 ALA 23 2HB ALA 23 9.007 -16.334 -10.473 155 HB3 ALA 23 3HB ALA 23 8.268 -15.700 -11.944 156 H CYS 24 H CYS 24 7.937 -16.144 -8.042 157 HA CYS 24 HA CYS 24 6.941 -13.743 -7.021 158 HB2 CYS 24 2HB CYS 24 7.924 -15.710 -5.749 159 HB3 CYS 24 1HB CYS 24 9.510 -15.051 -6.140 160 HG CYS 24 HG CYS 24 8.382 -14.282 -3.753 161 H ASN 25 H ASN 25 7.435 -11.731 -7.406 162 HA ASN 25 HA ASN 25 9.392 -10.882 -9.221 163 HB2 ASN 25 2HB ASN 25 7.804 -9.407 -7.124 164 HB3 ASN 25 1HB ASN 25 8.898 -8.590 -8.235 165 HD21 ASN 25 1HD2 ASN 25 5.803 -9.866 -7.776 166 HD22 ASN 25 2HD2 ASN 25 5.212 -9.659 -9.386 167 H GLY 26 H GLY 26 9.554 -11.502 -5.801 168 HA2 GLY 26 2HA GLY 26 12.009 -9.991 -5.478 169 HA3 GLY 26 1HA GLY 26 11.158 -10.881 -4.230 170 H CYS 27 H CYS 27 11.123 -13.432 -4.976 171 HA CYS 27 HA CYS 27 13.980 -14.060 -5.161 172 HB2 CYS 27 2HB CYS 27 13.453 -16.155 -4.056 173 HB3 CYS 27 1HB CYS 27 12.783 -14.809 -3.140 174 HG CYS 27 HG CYS 27 11.169 -17.032 -3.694 175 H GLY 28 H GLY 28 11.343 -14.066 -7.202 176 HA2 GLY 28 2HA GLY 28 11.143 -14.914 -9.320 177 HA3 GLY 28 1HA GLY 28 12.755 -15.584 -9.143 178 H CYS 29 H CYS 29 10.718 -16.614 -6.635 179 HA CYS 29 HA CYS 29 10.776 -19.296 -7.602 180 HB2 CYS 29 2HB CYS 29 9.814 -19.937 -5.565 181 HB3 CYS 29 1HB CYS 29 10.768 -18.517 -5.148 182 HG CYS 29 HG CYS 29 8.074 -18.714 -4.324 183 H VAL 30 H VAL 30 9.156 -20.567 -8.398 184 HA VAL 30 HA VAL 30 7.066 -19.159 -9.792 185 HB VAL 30 HB VAL 30 7.076 -22.120 -9.743 186 HG11 VAL 30 1HG1 VAL 30 7.012 -21.418 -12.320 187 HG12 VAL 30 2HG1 VAL 30 6.417 -19.920 -11.602 188 HG13 VAL 30 3HG1 VAL 30 5.576 -21.440 -11.295 189 HG21 VAL 30 1HG2 VAL 30 8.924 -21.708 -11.665 190 HG22 VAL 30 2HG2 VAL 30 9.316 -22.177 -10.011 191 HG23 VAL 30 3HG2 VAL 30 9.407 -20.483 -10.493 192 H PHE 31 H PHE 31 4.921 -19.199 -9.433 193 HA PHE 31 HA PHE 31 4.026 -20.068 -6.824 194 HB2 PHE 31 2HB PHE 31 2.611 -18.617 -9.067 195 HB3 PHE 31 1HB PHE 31 1.857 -19.017 -7.528 196 HD1 PHE 31 2HD PHE 31 2.734 -17.997 -5.432 197 HD2 PHE 31 1HD PHE 31 4.040 -16.757 -9.286 198 HE1 PHE 31 2HE PHE 31 3.614 -15.915 -4.459 199 HE2 PHE 31 1HE PHE 31 4.924 -14.673 -8.322 200 HZ PHE 31 HZ PHE 31 4.710 -14.250 -5.905 201 H THR 32 H THR 32 2.803 -21.748 -6.373 202 HA THR 32 HA THR 32 1.724 -23.369 -8.579 203 HB THR 32 HB THR 32 2.416 -25.396 -7.505 204 HG1 THR 32 1HG THR 32 2.749 -23.737 -5.338 205 HG21 THR 32 1HG2 THR 32 4.900 -23.854 -7.059 206 HG22 THR 32 2HG2 THR 32 4.199 -23.828 -8.678 207 HG23 THR 32 3HG2 THR 32 4.637 -25.364 -7.930 208 H THR 33 H THR 33 0.154 -25.064 -7.681 209 HA THR 33 HA THR 33 -2.104 -23.864 -6.685 210 HB THR 33 HB THR 33 -1.302 -26.747 -6.273 211 HG1 THR 33 1HG THR 33 -2.950 -26.442 -8.305 212 HG21 THR 33 1HG2 THR 33 -3.683 -27.227 -6.371 213 HG22 THR 33 2HG2 THR 33 -4.033 -25.502 -6.466 214 HG23 THR 33 3HG2 THR 33 -3.296 -26.172 -5.011 215 H THR 34 H THR 34 0.462 -25.463 -4.806 216 HA THR 34 HA THR 34 -0.947 -25.165 -2.347 217 HB THR 34 HB THR 34 1.078 -25.937 -1.269 218 HG1 THR 34 1HG THR 34 2.549 -25.997 -3.619 219 HG21 THR 34 1HG2 THR 34 1.101 -27.402 -3.876 220 HG22 THR 34 2HG2 THR 34 -0.238 -27.562 -2.738 221 HG23 THR 34 3HG2 THR 34 1.395 -28.019 -2.250 222 H VAL 35 H VAL 35 1.222 -23.092 -4.156 223 HA VAL 35 HA VAL 35 1.508 -21.320 -1.850 224 HB VAL 35 HB VAL 35 2.681 -21.148 -4.619 225 HG11 VAL 35 1HG1 VAL 35 2.260 -18.925 -3.669 226 HG12 VAL 35 2HG1 VAL 35 3.983 -19.269 -3.807 227 HG13 VAL 35 3HG1 VAL 35 3.186 -19.375 -2.237 228 HG21 VAL 35 1HG2 VAL 35 4.183 -22.576 -3.795 229 HG22 VAL 35 2HG2 VAL 35 3.522 -22.437 -2.167 230 HG23 VAL 35 3HG2 VAL 35 4.712 -21.267 -2.738 231 H ARG 36 H ARG 36 -0.048 -19.986 -1.477 232 HA ARG 36 HA ARG 36 -1.956 -19.118 -3.432 233 HB2 ARG 36 2HB ARG 36 -1.443 -18.176 -0.603 234 HB3 ARG 36 1HB ARG 36 -2.822 -17.706 -1.586 235 HG2 ARG 36 2HG ARG 36 -3.539 -20.052 -1.676 236 HG3 ARG 36 1HG ARG 36 -2.175 -20.492 -0.646 237 HD2 ARG 36 2HD ARG 36 -3.072 -18.904 1.067 238 HD3 ARG 36 1HD ARG 36 -4.502 -18.708 0.056 239 HE ARG 36 HE ARG 36 -3.917 -21.447 0.680 240 HH11 ARG 36 1HH1 ARG 36 -5.467 -18.540 1.805 241 HH12 ARG 36 2HH1 ARG 36 -6.582 -19.377 2.833 242 HH21 ARG 36 1HH2 ARG 36 -5.382 -22.561 2.033 243 HH22 ARG 36 2HH2 ARG 36 -6.533 -21.663 2.964 244 H ARG 37 H ARG 37 -2.225 -17.099 -4.319 245 HA ARG 37 HA ARG 37 0.197 -15.608 -4.744 246 HB2 ARG 37 2HB ARG 37 -1.601 -16.039 -6.485 247 HB3 ARG 37 1HB ARG 37 -2.582 -14.847 -5.645 248 HG2 ARG 37 2HG ARG 37 -1.648 -13.414 -7.088 249 HG3 ARG 37 1HG ARG 37 -0.284 -13.464 -5.972 250 HD2 ARG 37 2HD ARG 37 0.271 -13.796 -8.413 251 HD3 ARG 37 1HD ARG 37 0.880 -15.025 -7.307 252 HE ARG 37 HE ARG 37 -1.658 -15.720 -8.420 253 HH11 ARG 37 1HH1 ARG 37 1.770 -15.683 -9.028 254 HH12 ARG 37 2HH1 ARG 37 1.715 -16.994 -10.158 255 HH21 ARG 37 1HH2 ARG 37 -1.742 -17.448 -9.905 256 HH22 ARG 37 2HH2 ARG 37 -0.282 -17.995 -10.659 257 H HIS 38 H HIS 38 0.729 -13.600 -3.982 258 HA HIS 38 HA HIS 38 -1.198 -12.194 -2.303 259 HB2 HIS 38 2HB HIS 38 1.559 -12.998 -1.360 260 HB3 HIS 38 1HB HIS 38 0.472 -11.913 -0.499 261 HD1 HIS 38 1HD HIS 38 -1.938 -13.104 0.137 262 HD2 HIS 38 2HD HIS 38 1.304 -15.587 -0.632 263 HE1 HIS 38 1HE HIS 38 -2.540 -15.328 1.144 264 HE2 HIS 38 2HE HIS 38 -0.530 -16.791 0.738 265 H HIS 39 H HIS 39 -0.472 -10.006 -1.732 266 HA HIS 39 HA HIS 39 1.464 -8.920 -3.671 267 HB2 HIS 39 2HB HIS 39 -1.252 -7.786 -2.987 268 HB3 HIS 39 1HB HIS 39 -0.037 -6.954 -3.952 269 HD1 HIS 39 1HD HIS 39 -2.574 -9.675 -4.110 270 HD2 HIS 39 2HD HIS 39 0.316 -7.969 -6.558 271 HE1 HIS 39 1HE HIS 39 -3.056 -10.540 -6.422 272 HE2 HIS 39 2HE HIS 39 -1.233 -9.572 -7.867 273 H CYS 40 H CYS 40 2.634 -7.100 -3.041 274 HA CYS 40 HA CYS 40 2.819 -6.669 -0.160 275 HB2 CYS 40 2HB CYS 40 4.912 -7.059 -1.293 276 HB3 CYS 40 1HB CYS 40 4.532 -5.857 -2.519 277 HG CYS 40 HG CYS 40 6.233 -4.952 -0.678 278 H ARG 41 H ARG 41 2.279 -4.766 0.810 279 HA ARG 41 HA ARG 41 0.439 -3.070 -0.527 280 HB2 ARG 41 2HB ARG 41 1.739 -2.762 2.182 281 HB3 ARG 41 1HB ARG 41 0.353 -1.844 1.610 282 HG2 ARG 41 2HG ARG 41 0.383 -4.840 1.882 283 HG3 ARG 41 1HG ARG 41 -0.207 -3.735 3.126 284 HD2 ARG 41 2HD ARG 41 -1.263 -3.909 0.308 285 HD3 ARG 41 1HD ARG 41 -2.018 -4.644 1.720 286 HE ARG 41 HE ARG 41 -1.763 -1.997 2.361 287 HH11 ARG 41 1HH1 ARG 41 -3.258 -3.786 -0.225 288 HH12 ARG 41 2HH1 ARG 41 -4.506 -2.614 -0.488 289 HH21 ARG 41 1HH2 ARG 41 -3.402 -0.448 2.021 290 HH22 ARG 41 2HH2 ARG 41 -4.586 -0.718 0.787 291 H ASN 42 H ASN 42 3.763 -3.024 -0.566 292 HA ASN 42 HA ASN 42 3.933 -0.115 -0.816 293 HB2 ASN 42 2HB ASN 42 6.042 -2.243 -0.460 294 HB3 ASN 42 1HB ASN 42 6.422 -0.556 -0.774 295 HD21 ASN 42 1HD2 ASN 42 6.497 -2.634 1.577 296 HD22 ASN 42 2HD2 ASN 42 6.014 -1.665 2.922 297 H CYS 43 H CYS 43 5.637 -2.780 -2.459 298 HA CYS 43 HA CYS 43 5.865 -1.222 -4.843 299 HB2 CYS 43 2HB CYS 43 6.975 -3.198 -5.788 300 HB3 CYS 43 1HB CYS 43 7.628 -2.777 -4.211 301 HG CYS 43 HG CYS 43 5.566 -4.912 -3.863 302 H GLY 44 H GLY 44 3.587 -3.546 -3.673 303 HA2 GLY 44 2HA GLY 44 1.546 -4.162 -4.557 304 HA3 GLY 44 1HA GLY 44 1.839 -3.036 -5.875 305 H TYR 45 H TYR 45 4.221 -5.435 -5.221 306 HA TYR 45 HA TYR 45 3.526 -6.781 -7.729 307 HB2 TYR 45 2HB TYR 45 6.079 -6.920 -6.110 308 HB3 TYR 45 1HB TYR 45 5.805 -7.694 -7.664 309 HD1 TYR 45 1HD TYR 45 4.435 -5.532 -9.147 310 HD2 TYR 45 2HD TYR 45 7.789 -5.388 -6.535 311 HE1 TYR 45 1HE TYR 45 5.244 -3.520 -10.307 312 HE2 TYR 45 2HE TYR 45 8.607 -3.373 -7.686 313 HH TYR 45 HH TYR 45 6.956 -2.083 -10.537 314 H VAL 46 H VAL 46 3.846 -9.131 -7.814 315 HA VAL 46 HA VAL 46 2.407 -10.337 -5.645 316 HB VAL 46 HB VAL 46 3.587 -11.629 -8.111 317 HG11 VAL 46 1HG1 VAL 46 1.416 -12.782 -6.394 318 HG12 VAL 46 2HG1 VAL 46 3.118 -13.095 -6.057 319 HG13 VAL 46 3HG1 VAL 46 2.419 -13.585 -7.600 320 HG21 VAL 46 1HG2 VAL 46 0.944 -10.369 -7.506 321 HG22 VAL 46 2HG2 VAL 46 1.043 -11.693 -8.668 322 HG23 VAL 46 3HG2 VAL 46 1.960 -10.212 -8.939 323 H LEU 47 H LEU 47 3.199 -11.430 -3.966 324 HA LEU 47 HA LEU 47 5.967 -12.422 -4.087 325 HB2 LEU 47 2HB LEU 47 4.682 -10.847 -1.853 326 HB3 LEU 47 1HB LEU 47 6.142 -11.785 -1.641 327 HG LEU 47 HG LEU 47 6.539 -9.364 -1.914 328 HD11 LEU 47 1HD1 LEU 47 7.722 -11.412 -3.685 329 HD12 LEU 47 2HD1 LEU 47 8.458 -10.453 -2.403 330 HD13 LEU 47 3HD1 LEU 47 8.146 -9.727 -3.979 331 HD21 LEU 47 1HD2 LEU 47 4.648 -9.424 -3.835 332 HD22 LEU 47 2HD2 LEU 47 6.117 -9.436 -4.812 333 HD23 LEU 47 3HD2 LEU 47 5.842 -8.139 -3.646 334 H CYS 48 H CYS 48 6.279 -14.406 -3.171 335 HA CYS 48 HA CYS 48 3.937 -15.917 -2.436 336 HB2 CYS 48 2HB CYS 48 5.268 -17.812 -2.594 337 HB3 CYS 48 1HB CYS 48 6.134 -16.717 -3.669 338 HG CYS 48 HG CYS 48 8.095 -16.917 -2.231 339 H GLY 49 H GLY 49 4.325 -17.412 -0.323 340 HA2 GLY 49 2HA GLY 49 4.025 -15.752 1.871 341 HA3 GLY 49 1HA GLY 49 4.465 -17.451 1.968 342 H ASP 50 H ASP 50 6.916 -17.644 1.023 343 HA ASP 50 HA ASP 50 8.566 -16.765 3.071 344 HB2 ASP 50 2HB ASP 50 9.163 -17.740 0.289 345 HB3 ASP 50 1HB ASP 50 10.447 -17.303 1.409 346 H CYS 51 H CYS 51 7.855 -15.202 0.029 347 HA CYS 51 HA CYS 51 9.853 -13.150 0.519 348 HB2 CYS 51 2HB CYS 51 8.148 -13.936 -1.777 349 HB3 CYS 51 1HB CYS 51 8.603 -12.238 -1.670 350 HG CYS 51 HG CYS 51 10.682 -14.544 -1.908 351 H SER 52 H SER 52 6.813 -13.723 1.615 352 HA SER 52 HA SER 52 6.329 -10.865 2.055 353 HB2 SER 52 2HB SER 52 3.974 -11.101 1.687 354 HB3 SER 52 1HB SER 52 4.779 -11.817 0.290 355 HG SER 52 HG SER 52 4.562 -13.827 1.782 356 H ARG 53 H ARG 53 7.571 -13.060 3.610 357 HA ARG 53 HA ARG 53 5.704 -13.696 5.704 358 HB2 ARG 53 2HB ARG 53 8.648 -14.193 5.340 359 HB3 ARG 53 1HB ARG 53 7.846 -14.534 6.868 360 HG2 ARG 53 2HG ARG 53 6.272 -16.012 5.598 361 HG3 ARG 53 1HG ARG 53 7.306 -15.778 4.190 362 HD2 ARG 53 2HD ARG 53 9.212 -16.666 5.464 363 HD3 ARG 53 1HD ARG 53 8.139 -16.956 6.833 364 HE ARG 53 HE ARG 53 8.365 -18.535 4.436 365 HH11 ARG 53 1HH1 ARG 53 6.343 -17.665 7.132 366 HH12 ARG 53 2HH1 ARG 53 5.392 -19.110 7.056 367 HH21 ARG 53 1HH2 ARG 53 7.121 -20.451 4.327 368 HH22 ARG 53 2HH2 ARG 53 5.836 -20.696 5.462 369 H HIS 54 H HIS 54 7.882 -11.090 5.027 370 HA HIS 54 HA HIS 54 8.197 -10.298 7.764 371 HB2 HIS 54 2HB HIS 54 8.753 -8.821 5.185 372 HB3 HIS 54 1HB HIS 54 9.146 -8.198 6.778 373 HD1 HIS 54 1HD HIS 54 11.051 -9.459 8.096 374 HD2 HIS 54 2HD HIS 54 10.538 -10.656 4.149 375 HE1 HIS 54 1HE HIS 54 13.117 -10.773 7.518 376 HE2 HIS 54 2HE HIS 54 12.775 -11.504 5.131 377 H ARG 55 H ARG 55 7.509 -8.172 8.543 378 HA ARG 55 HA ARG 55 5.021 -7.194 7.355 379 HB2 ARG 55 2HB ARG 55 5.322 -7.900 10.283 380 HB3 ARG 55 1HB ARG 55 3.918 -7.134 9.546 381 HG2 ARG 55 2HG ARG 55 3.592 -9.134 8.148 382 HG3 ARG 55 1HG ARG 55 4.942 -9.906 8.979 383 HD2 ARG 55 2HD ARG 55 2.350 -8.981 10.209 384 HD3 ARG 55 1HD ARG 55 2.857 -10.648 9.947 385 HE ARG 55 HE ARG 55 4.818 -9.533 11.510 386 HH11 ARG 55 1HH1 ARG 55 1.376 -10.008 11.762 387 HH12 ARG 55 2HH1 ARG 55 1.386 -10.118 13.490 388 HH21 ARG 55 1HH2 ARG 55 4.844 -9.677 13.787 389 HH22 ARG 55 2HH2 ARG 55 3.359 -9.930 14.643 390 H ALA 56 H ALA 56 4.756 -5.022 7.513 391 HA ALA 56 HA ALA 56 6.282 -3.442 9.398 392 HB1 ALA 56 1HB ALA 56 8.079 -3.142 8.126 393 HB2 ALA 56 2HB ALA 56 7.055 -2.201 7.043 394 HB3 ALA 56 3HB ALA 56 7.311 -3.918 6.741 395 H ALA 57 H ALA 57 5.707 -1.208 9.436 396 HA ALA 57 HA ALA 57 3.054 -0.708 8.331 397 HB1 ALA 57 1HB ALA 57 3.074 1.274 9.807 398 HB2 ALA 57 2HB ALA 57 4.705 0.847 10.325 399 HB3 ALA 57 3HB ALA 57 3.356 -0.227 10.691 400 H ILE 58 H ILE 58 2.623 1.106 7.001 401 HA ILE 58 HA ILE 58 5.005 2.379 5.842 402 HB ILE 58 HB ILE 58 2.583 1.852 4.176 403 HG12 ILE 58 2HG1 ILE 58 4.816 -0.152 4.558 404 HG13 ILE 58 1HG1 ILE 58 3.238 -0.293 5.325 405 HG21 ILE 58 1HG2 ILE 58 4.203 1.843 2.380 406 HG22 ILE 58 2HG2 ILE 58 5.528 1.930 3.538 407 HG23 ILE 58 3HG2 ILE 58 4.415 3.287 3.367 408 HD11 ILE 58 1HD1 ILE 58 3.997 -1.290 2.857 409 HD12 ILE 58 2HD1 ILE 58 2.978 0.099 2.483 410 HD13 ILE 58 3HD1 ILE 58 2.363 -1.198 3.508 411 HA PRO 59 HA PRO 59 2.087 5.577 7.501 412 HB2 PRO 59 2HB PRO 59 4.107 7.257 8.272 413 HB3 PRO 59 1HB PRO 59 3.415 6.001 9.300 414 HG2 PRO 59 2HG PRO 59 5.916 5.932 7.655 415 HG3 PRO 59 1HG PRO 59 5.641 5.332 9.301 416 HD2 PRO 59 2HD PRO 59 5.679 3.676 7.188 417 HD3 PRO 59 1HD PRO 59 4.581 3.409 8.560 418 H MET 60 H MET 60 4.290 5.412 4.911 419 HA MET 60 HA MET 60 3.737 8.161 4.074 420 HB2 MET 60 2HB MET 60 5.510 6.016 2.878 421 HB3 MET 60 1HB MET 60 5.322 7.639 2.232 422 HG2 MET 60 2HG MET 60 6.191 8.526 4.388 423 HG3 MET 60 1HG MET 60 6.522 6.865 4.877 424 HE1 MET 60 1HE MET 60 7.749 5.256 3.455 425 HE2 MET 60 2HE MET 60 9.292 5.649 2.698 426 HE3 MET 60 3HE MET 60 7.804 5.716 1.753 427 H ARG 61 H ARG 61 3.193 4.825 3.331 428 HA ARG 61 HA ARG 61 1.574 5.404 0.977 429 HB2 ARG 61 2HB ARG 61 2.221 2.760 2.287 430 HB3 ARG 61 1HB ARG 61 1.442 2.980 0.726 431 HG2 ARG 61 2HG ARG 61 3.545 4.220 0.018 432 HG3 ARG 61 1HG ARG 61 4.281 3.594 1.488 433 HD2 ARG 61 2HD ARG 61 4.884 2.027 -0.118 434 HD3 ARG 61 1HD ARG 61 3.478 1.296 0.657 435 HE ARG 61 HE ARG 61 2.354 1.454 -1.324 436 HH11 ARG 61 1HH1 ARG 61 5.138 3.542 -1.431 437 HH12 ARG 61 2HH1 ARG 61 4.923 3.959 -3.098 438 HH21 ARG 61 1HH2 ARG 61 2.055 2.000 -3.515 439 HH22 ARG 61 2HH2 ARG 61 3.168 3.081 -4.285 440 H GLY 62 H GLY 62 0.708 6.313 3.615 441 HA2 GLY 62 2HA GLY 62 -1.290 6.541 4.721 442 HA3 GLY 62 1HA GLY 62 -2.025 5.633 3.412 443 H ILE 63 H ILE 63 0.563 4.154 5.208 444 HA ILE 63 HA ILE 63 -1.434 2.488 6.599 445 HB ILE 63 HB ILE 63 1.270 1.650 5.537 446 HG12 ILE 63 2HG1 ILE 63 -1.504 0.831 4.651 447 HG13 ILE 63 1HG1 ILE 63 -0.484 1.990 3.806 448 HG21 ILE 63 1HG2 ILE 63 -0.821 0.130 7.074 449 HG22 ILE 63 2HG2 ILE 63 0.862 0.417 7.518 450 HG23 ILE 63 3HG2 ILE 63 0.476 -0.649 6.164 451 HD11 ILE 63 1HD1 ILE 63 0.697 -0.658 4.339 452 HD12 ILE 63 2HD1 ILE 63 0.833 0.390 2.926 453 HD13 ILE 63 3HD1 ILE 63 -0.613 -0.591 3.161 454 H THR 64 H THR 64 -1.428 3.303 8.636 455 HA THR 64 HA THR 64 1.070 4.103 9.881 456 HB THR 64 HB THR 64 -0.353 4.821 11.767 457 HG1 THR 64 1HG THR 64 -2.749 4.655 10.711 458 HG21 THR 64 1HG2 THR 64 -1.345 6.665 10.764 459 HG22 THR 64 2HG2 THR 64 -1.688 5.789 9.272 460 HG23 THR 64 3HG2 THR 64 -0.030 6.243 9.668 461 H GLU 65 H GLU 65 -0.995 1.362 9.814 462 HA GLU 65 HA GLU 65 0.259 0.243 12.219 463 HB2 GLU 65 2HB GLU 65 -1.868 -1.162 10.638 464 HB3 GLU 65 1HB GLU 65 -1.502 -1.281 12.353 465 HG2 GLU 65 2HG GLU 65 -2.615 0.693 12.857 466 HG3 GLU 65 1HG GLU 65 -2.552 1.265 11.190 467 HA PRO 66 HA PRO 66 3.062 -2.132 9.829 468 HB2 PRO 66 2HB PRO 66 3.120 -4.465 11.325 469 HB3 PRO 66 1HB PRO 66 4.060 -3.016 11.692 470 HG2 PRO 66 2HG PRO 66 1.475 -3.946 12.864 471 HG3 PRO 66 1HG PRO 66 2.855 -3.170 13.662 472 HD2 PRO 66 2HD PRO 66 0.609 -1.810 13.059 473 HD3 PRO 66 1HD PRO 66 2.213 -1.050 12.984 474 H GLU 67 H GLU 67 2.623 -3.032 7.962 475 HA GLU 67 HA GLU 67 0.556 -5.116 7.822 476 HB2 GLU 67 2HB GLU 67 1.127 -2.944 5.799 477 HB3 GLU 67 1HB GLU 67 -0.026 -4.245 5.579 478 HG2 GLU 67 2HG GLU 67 -1.267 -3.416 7.556 479 HG3 GLU 67 1HG GLU 67 -0.160 -2.047 7.618 480 H ARG 68 H ARG 68 0.770 -6.482 5.845 481 HA ARG 68 HA ARG 68 3.365 -7.602 5.742 482 HB2 ARG 68 2HB ARG 68 2.425 -9.171 4.155 483 HB3 ARG 68 1HB ARG 68 1.318 -8.915 5.499 484 HG2 ARG 68 2HG ARG 68 0.097 -7.272 4.040 485 HG3 ARG 68 1HG ARG 68 1.102 -7.831 2.701 486 HD2 ARG 68 2HD ARG 68 0.295 -10.145 3.156 487 HD3 ARG 68 1HD ARG 68 -0.810 -9.475 4.355 488 HE ARG 68 HE ARG 68 -1.303 -8.100 2.016 489 HH11 ARG 68 1HH1 ARG 68 -1.414 -11.412 3.090 490 HH12 ARG 68 2HH1 ARG 68 -2.682 -11.860 1.999 491 HH21 ARG 68 1HH2 ARG 68 -2.973 -8.679 0.573 492 HH22 ARG 68 2HH2 ARG 68 -3.569 -10.306 0.568 493 H VAL 69 H VAL 69 4.945 -7.495 4.320 494 HA VAL 69 HA VAL 69 4.650 -6.083 1.773 495 HB VAL 69 HB VAL 69 6.671 -4.746 2.144 496 HG11 VAL 69 1HG1 VAL 69 4.714 -3.528 2.478 497 HG12 VAL 69 2HG1 VAL 69 5.666 -3.207 3.931 498 HG13 VAL 69 3HG1 VAL 69 4.339 -4.366 3.987 499 HG21 VAL 69 1HG2 VAL 69 7.991 -5.767 3.724 500 HG22 VAL 69 2HG2 VAL 69 6.627 -6.142 4.779 501 HG23 VAL 69 3HG2 VAL 69 7.251 -4.496 4.701 502 H CYS 70 H CYS 70 6.966 -6.170 0.682 503 HA CYS 70 HA CYS 70 7.808 -8.960 0.854 504 HB2 CYS 70 2HB CYS 70 8.487 -8.836 -1.348 505 HB3 CYS 70 1HB CYS 70 7.154 -7.694 -1.347 506 HG CYS 70 HG CYS 70 8.862 -5.757 -1.395 507 H ASP 71 H ASP 71 10.370 -8.803 -0.128 508 HA ASP 71 HA ASP 71 11.757 -7.935 2.243 509 HB2 ASP 71 2HB ASP 71 12.795 -9.147 -0.330 510 HB3 ASP 71 1HB ASP 71 13.784 -8.837 1.094 511 H ALA 72 H ALA 72 11.740 -6.820 -1.136 512 HA ALA 72 HA ALA 72 13.787 -4.895 -0.755 513 HB1 ALA 72 1HB ALA 72 11.887 -4.172 -2.821 514 HB2 ALA 72 2HB ALA 72 12.365 -5.866 -2.918 515 HB3 ALA 72 3HB ALA 72 13.593 -4.600 -2.953 516 H CYS 73 H CYS 73 10.252 -4.610 -0.707 517 HA CYS 73 HA CYS 73 10.164 -1.830 -0.264 518 HB2 CYS 73 2HB CYS 73 8.125 -3.901 0.584 519 HB3 CYS 73 1HB CYS 73 7.841 -2.178 0.348 520 HG CYS 73 HG CYS 73 7.671 -2.515 -2.093 521 H TYR 74 H TYR 74 10.243 -4.596 1.933 522 HA TYR 74 HA TYR 74 9.828 -3.235 4.338 523 HB2 TYR 74 2HB TYR 74 9.891 -5.718 4.085 524 HB3 TYR 74 1HB TYR 74 11.634 -5.623 3.864 525 HD1 TYR 74 1HD TYR 74 8.908 -4.988 6.296 526 HD2 TYR 74 2HD TYR 74 13.082 -5.574 5.721 527 HE1 TYR 74 1HE TYR 74 9.208 -5.188 8.730 528 HE2 TYR 74 2HE TYR 74 13.395 -5.774 8.151 529 HH TYR 74 HH TYR 74 10.636 -5.648 10.379 530 H LEU 75 H LEU 75 12.720 -3.744 2.414 531 HA LEU 75 HA LEU 75 14.551 -2.548 4.237 532 HB2 LEU 75 2HB LEU 75 14.594 -3.449 1.409 533 HB3 LEU 75 1HB LEU 75 15.837 -2.324 1.916 534 HG LEU 75 HG LEU 75 15.336 -4.832 3.482 535 HD11 LEU 75 1HD1 LEU 75 17.315 -4.704 1.234 536 HD12 LEU 75 2HD1 LEU 75 15.668 -5.286 0.984 537 HD13 LEU 75 3HD1 LEU 75 16.732 -6.114 2.122 538 HD21 LEU 75 1HD2 LEU 75 17.958 -3.481 2.988 539 HD22 LEU 75 2HD2 LEU 75 17.453 -4.481 4.350 540 HD23 LEU 75 3HD2 LEU 75 16.833 -2.838 4.185 541 H ALA 76 H ALA 76 13.036 -1.302 1.261 542 HA ALA 76 HA ALA 76 14.256 1.193 1.272 543 HB1 ALA 76 1HB ALA 76 13.169 0.685 -0.706 544 HB2 ALA 76 2HB ALA 76 12.105 1.899 0.005 545 HB3 ALA 76 3HB ALA 76 11.689 0.189 0.115 546 H LEU 77 H LEU 77 11.212 0.213 2.803 547 HA LEU 77 HA LEU 77 10.546 2.794 3.769 548 HB2 LEU 77 2HB LEU 77 9.730 0.043 4.684 549 HB3 LEU 77 1HB LEU 77 9.068 1.517 5.353 550 HG LEU 77 HG LEU 77 8.853 0.698 2.454 551 HD11 LEU 77 1HD1 LEU 77 6.460 0.334 3.025 552 HD12 LEU 77 2HD1 LEU 77 6.888 0.504 4.726 553 HD13 LEU 77 3HD1 LEU 77 7.564 -0.817 3.773 554 HD21 LEU 77 1HD2 LEU 77 7.061 2.493 2.485 555 HD22 LEU 77 2HD2 LEU 77 8.732 3.055 2.561 556 HD23 LEU 77 3HD2 LEU 77 7.750 3.015 4.024 557 H ARG 78 H ARG 78 12.434 0.140 5.090 558 HA ARG 78 HA ARG 78 12.709 1.188 7.700 559 HB2 ARG 78 2HB ARG 78 14.242 -0.848 6.119 560 HB3 ARG 78 1HB ARG 78 14.757 -0.365 7.729 561 HG2 ARG 78 2HG ARG 78 12.545 -1.034 8.596 562 HG3 ARG 78 1HG ARG 78 12.118 -1.607 6.984 563 HD2 ARG 78 2HD ARG 78 13.335 -3.478 7.203 564 HD3 ARG 78 1HD ARG 78 14.674 -2.627 7.970 565 HE ARG 78 HE ARG 78 12.373 -2.966 9.666 566 HH11 ARG 78 1HH1 ARG 78 15.338 -4.394 8.532 567 HH12 ARG 78 2HH1 ARG 78 15.549 -5.386 9.935 568 HH21 ARG 78 1HH2 ARG 78 12.642 -4.267 11.521 569 HH22 ARG 78 2HH2 ARG 78 14.014 -5.318 11.634 570 H SER 79 H SER 79 13.910 2.373 4.805 571 HA SER 79 HA SER 79 16.549 3.074 5.447 572 HB2 SER 79 2HB SER 79 14.541 4.416 3.628 573 HB3 SER 79 1HB SER 79 16.244 4.860 3.709 574 HG SER 79 HG SER 79 15.768 3.347 2.029 575 H SER 80 H SER 80 14.112 5.603 5.068 576 HA SER 80 HA SER 80 14.879 6.672 7.698 577 HB2 SER 80 2HB SER 80 14.616 8.253 5.131 578 HB3 SER 80 1HB SER 80 14.863 8.955 6.729 579 HG SER 80 HG SER 80 16.838 8.737 5.647 580 H ASN 81 H ASN 81 13.288 7.733 8.843 581 HA ASN 81 HA ASN 81 10.629 6.962 8.400 582 HB2 ASN 81 2HB ASN 81 11.757 9.176 10.125 583 HB3 ASN 81 1HB ASN 81 10.085 8.628 10.185 584 HD21 ASN 81 1HD2 ASN 81 11.785 8.598 12.380 585 HD22 ASN 81 2HD2 ASN 81 12.077 6.957 12.835 586 H MET 82 H MET 82 12.425 9.825 7.489 587 HA MET 82 HA MET 82 10.053 11.171 6.486 588 HB2 MET 82 2HB MET 82 12.973 11.953 6.428 589 HB3 MET 82 1HB MET 82 11.658 12.960 5.839 590 HG2 MET 82 2HG MET 82 12.076 12.040 8.673 591 HG3 MET 82 1HG MET 82 12.343 13.664 8.044 592 HE1 MET 82 1HE MET 82 10.018 14.086 6.105 593 HE2 MET 82 2HE MET 82 10.299 15.335 7.318 594 HE3 MET 82 3HE MET 82 8.672 14.700 7.065 595 H ALA 83 H ALA 83 9.489 11.377 4.370 596 HA ALA 83 HA ALA 83 10.331 9.446 2.523 597 HB1 ALA 83 1HB ALA 83 8.209 10.245 2.101 598 HB2 ALA 83 2HB ALA 83 9.152 11.073 0.861 599 HB3 ALA 83 3HB ALA 83 8.681 11.928 2.331 600 H GLY 84 H GLY 84 11.630 9.542 0.695 601 HA2 GLY 84 2HA GLY 84 12.870 11.154 -0.814 602 HA3 GLY 84 1HA GLY 84 13.549 11.786 0.678 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -10.705 23.069 -25.059 2 H2 GLY 1 2HT GLY 1 -11.274 24.662 -25.088 3 H3 GLY 1 3HT GLY 1 -12.369 23.373 -25.125 4 HA2 GLY 1 1HA GLY 1 -12.013 24.614 -22.919 5 HA3 GLY 1 2HA GLY 1 -12.100 22.859 -22.915 6 HA PRO 2 HA PRO 2 -8.028 24.698 -21.076 7 HB2 PRO 2 2HB PRO 2 -8.591 23.958 -18.477 8 HB3 PRO 2 1HB PRO 2 -8.826 25.582 -19.130 9 HG2 PRO 2 2HG PRO 2 -10.819 23.383 -18.755 10 HG3 PRO 2 1HG PRO 2 -10.998 25.122 -18.454 11 HD2 PRO 2 2HD PRO 2 -12.019 23.980 -20.650 12 HD3 PRO 2 1HD PRO 2 -11.304 25.605 -20.705 13 H LEU 3 H LEU 3 -6.325 23.353 -20.899 14 HA LEU 3 HA LEU 3 -6.852 20.489 -20.942 15 HB2 LEU 3 2HB LEU 3 -4.235 21.957 -21.278 16 HB3 LEU 3 1HB LEU 3 -4.523 20.257 -21.600 17 HG LEU 3 HG LEU 3 -5.569 22.620 -23.149 18 HD11 LEU 3 1HD1 LEU 3 -4.131 20.284 -24.306 19 HD12 LEU 3 2HD1 LEU 3 -3.209 21.516 -23.447 20 HD13 LEU 3 3HD1 LEU 3 -4.183 21.961 -24.849 21 HD21 LEU 3 1HD2 LEU 3 -6.675 20.913 -24.592 22 HD22 LEU 3 2HD2 LEU 3 -7.397 21.086 -22.992 23 HD23 LEU 3 3HD2 LEU 3 -6.343 19.715 -23.341 24 H GLY 4 H GLY 4 -6.227 19.063 -19.382 25 HA2 GLY 4 2HA GLY 4 -4.584 20.009 -17.159 26 HA3 GLY 4 1HA GLY 4 -6.227 19.521 -16.777 27 H SER 5 H SER 5 -4.622 18.118 -15.400 28 HA SER 5 HA SER 5 -4.481 15.529 -16.763 29 HB2 SER 5 2HB SER 5 -2.283 15.047 -15.856 30 HB3 SER 5 1HB SER 5 -2.205 16.550 -16.776 31 HG SER 5 HG SER 5 -1.149 16.814 -14.808 32 H MET 6 H MET 6 -4.417 13.697 -15.287 33 HA MET 6 HA MET 6 -6.309 13.878 -13.237 34 HB2 MET 6 2HB MET 6 -4.201 11.769 -13.730 35 HB3 MET 6 1HB MET 6 -5.550 11.590 -12.616 36 HG2 MET 6 2HG MET 6 -5.741 11.972 -15.595 37 HG3 MET 6 1HG MET 6 -6.007 10.470 -14.712 38 HE1 MET 6 1HE MET 6 -8.551 11.801 -12.197 39 HE2 MET 6 2HE MET 6 -7.341 10.581 -12.596 40 HE3 MET 6 3HE MET 6 -9.008 10.383 -13.141 41 H GLY 7 H GLY 7 -2.800 14.054 -13.169 42 HA2 GLY 7 2HA GLY 7 -1.484 15.084 -11.547 43 HA3 GLY 7 1HA GLY 7 -2.909 15.250 -10.533 44 H GLU 8 H GLU 8 -1.031 14.603 -9.005 45 HA GLU 8 HA GLU 8 -0.589 11.724 -8.956 46 HB2 GLU 8 2HB GLU 8 0.502 13.935 -7.207 47 HB3 GLU 8 1HB GLU 8 0.920 12.235 -7.042 48 HG2 GLU 8 2HG GLU 8 1.437 13.945 -9.466 49 HG3 GLU 8 1HG GLU 8 2.631 13.475 -8.256 50 H LYS 9 H LYS 9 -3.130 13.446 -8.116 51 HA LYS 9 HA LYS 9 -3.561 12.746 -5.394 52 HB2 LYS 9 2HB LYS 9 -5.535 13.398 -7.593 53 HB3 LYS 9 1HB LYS 9 -5.962 13.216 -5.897 54 HG2 LYS 9 2HG LYS 9 -4.414 15.087 -5.368 55 HG3 LYS 9 1HG LYS 9 -4.170 15.313 -7.101 56 HD2 LYS 9 2HD LYS 9 -6.616 15.656 -7.349 57 HD3 LYS 9 1HD LYS 9 -6.774 15.551 -5.594 58 HE2 LYS 9 2HE LYS 9 -5.173 17.465 -5.421 59 HE3 LYS 9 1HE LYS 9 -5.258 17.622 -7.175 60 HZ1 LYS 9 1HZ LYS 9 -6.790 19.150 -6.267 61 HZ2 LYS 9 2HZ LYS 9 -7.451 18.000 -5.218 62 HZ3 LYS 9 3HZ LYS 9 -7.718 17.876 -6.884 63 H GLN 10 H GLN 10 -3.307 10.928 -8.150 64 HA GLN 10 HA GLN 10 -5.284 8.960 -7.867 65 HB2 GLN 10 2HB GLN 10 -4.029 9.189 -9.912 66 HB3 GLN 10 1HB GLN 10 -2.512 8.887 -9.075 67 HG2 GLN 10 2HG GLN 10 -3.283 6.593 -8.585 68 HG3 GLN 10 1HG GLN 10 -4.750 6.916 -9.509 69 HE21 GLN 10 1HE2 GLN 10 -3.174 4.832 -10.215 70 HE22 GLN 10 2HE2 GLN 10 -2.367 5.166 -11.705 71 H SER 11 H SER 11 -5.319 7.017 -6.784 72 HA SER 11 HA SER 11 -3.924 6.838 -4.345 73 HB2 SER 11 2HB SER 11 -5.407 4.668 -5.852 74 HB3 SER 11 1HB SER 11 -4.931 4.595 -4.156 75 HG SER 11 HG SER 11 -6.683 5.642 -3.718 76 H LYS 12 H LYS 12 -2.358 5.298 -3.656 77 HA LYS 12 HA LYS 12 -0.560 4.452 -5.824 78 HB2 LYS 12 2HB LYS 12 0.006 5.028 -2.912 79 HB3 LYS 12 1HB LYS 12 1.196 4.406 -4.047 80 HG2 LYS 12 2HG LYS 12 0.892 6.438 -5.420 81 HG3 LYS 12 1HG LYS 12 -0.204 7.066 -4.189 82 HD2 LYS 12 2HD LYS 12 1.629 6.893 -2.532 83 HD3 LYS 12 1HD LYS 12 2.713 6.381 -3.828 84 HE2 LYS 12 2HE LYS 12 2.230 8.517 -4.999 85 HE3 LYS 12 1HE LYS 12 1.277 9.024 -3.607 86 HZ1 LYS 12 1HZ LYS 12 3.177 9.090 -2.254 87 HZ2 LYS 12 2HZ LYS 12 3.649 9.829 -3.701 88 HZ3 LYS 12 3HZ LYS 12 4.121 8.239 -3.371 89 H GLY 13 H GLY 13 0.308 2.371 -5.849 90 HA2 GLY 13 2HA GLY 13 0.649 0.250 -4.648 91 HA3 GLY 13 1HA GLY 13 -0.963 0.463 -3.984 92 H TYR 14 H TYR 14 0.751 0.085 -7.073 93 HA TYR 14 HA TYR 14 -1.637 -0.799 -8.418 94 HB2 TYR 14 2HB TYR 14 0.119 0.407 -9.637 95 HB3 TYR 14 1HB TYR 14 1.243 -0.913 -9.328 96 HD1 TYR 14 1HD TYR 14 -1.811 0.061 -11.159 97 HD2 TYR 14 2HD TYR 14 1.186 -2.913 -10.629 98 HE1 TYR 14 1HE TYR 14 -2.571 -1.064 -13.210 99 HE2 TYR 14 2HE TYR 14 0.435 -4.044 -12.680 100 HH TYR 14 HH TYR 14 -0.773 -3.560 -14.713 101 H TRP 15 H TRP 15 -2.424 -2.785 -8.381 102 HA TRP 15 HA TRP 15 -0.808 -4.964 -7.292 103 HB2 TRP 15 2HB TRP 15 -2.946 -6.226 -7.272 104 HB3 TRP 15 1HB TRP 15 -3.032 -4.723 -6.358 105 HD1 TRP 15 HD TRP 15 -4.491 -6.463 -9.399 106 HE1 TRP 15 1HE TRP 15 -6.451 -5.063 -10.307 107 HE3 TRP 15 3HE TRP 15 -3.871 -2.259 -6.558 108 HZ2 TRP 15 2HZ TRP 15 -7.584 -2.512 -9.877 109 HZ3 TRP 15 3HZ TRP 15 -5.435 -0.383 -6.868 110 HH2 TRP 15 HH TRP 15 -7.252 -0.510 -8.493 111 H GLN 16 H GLN 16 0.309 -6.217 -8.624 112 HA GLN 16 HA GLN 16 -0.335 -6.327 -11.454 113 HB2 GLN 16 2HB GLN 16 2.025 -6.153 -10.683 114 HB3 GLN 16 1HB GLN 16 1.864 -7.723 -9.909 115 HG2 GLN 16 2HG GLN 16 1.458 -8.756 -12.082 116 HG3 GLN 16 1HG GLN 16 1.619 -7.182 -12.860 117 HE21 GLN 16 1HE2 GLN 16 3.200 -9.219 -13.678 118 HE22 GLN 16 2HE2 GLN 16 4.832 -8.954 -13.180 119 H GLU 17 H GLU 17 -1.299 -7.896 -12.489 120 HA GLU 17 HA GLU 17 -2.915 -9.724 -11.192 121 HB2 GLU 17 2HB GLU 17 -1.922 -9.755 -14.040 122 HB3 GLU 17 1HB GLU 17 -3.248 -10.739 -13.435 123 HG2 GLU 17 2HG GLU 17 -4.467 -8.684 -12.844 124 HG3 GLU 17 1HG GLU 17 -3.155 -7.732 -13.537 125 H ASP 18 H ASP 18 -2.927 -11.972 -11.085 126 HA ASP 18 HA ASP 18 -0.602 -13.264 -10.185 127 HB2 ASP 18 2HB ASP 18 -3.185 -14.382 -11.274 128 HB3 ASP 18 1HB ASP 18 -1.947 -15.342 -10.468 129 H GLU 19 H GLU 19 -2.194 -13.311 -13.343 130 HA GLU 19 HA GLU 19 -0.518 -15.246 -14.515 131 HB2 GLU 19 2HB GLU 19 -2.222 -13.085 -15.747 132 HB3 GLU 19 1HB GLU 19 -1.428 -14.351 -16.670 133 HG2 GLU 19 2HG GLU 19 -2.699 -16.039 -15.415 134 HG3 GLU 19 1HG GLU 19 -3.521 -14.745 -14.542 135 H ASP 20 H ASP 20 -0.360 -11.710 -14.503 136 HA ASP 20 HA ASP 20 1.726 -11.480 -16.357 137 HB2 ASP 20 2HB ASP 20 0.916 -9.644 -14.093 138 HB3 ASP 20 1HB ASP 20 2.104 -9.219 -15.322 139 H ALA 21 H ALA 21 1.744 -11.991 -12.898 140 HA ALA 21 HA ALA 21 4.688 -12.209 -12.979 141 HB1 ALA 21 1HB ALA 21 4.318 -10.547 -11.434 142 HB2 ALA 21 2HB ALA 21 4.363 -11.972 -10.396 143 HB3 ALA 21 3HB ALA 21 2.814 -11.266 -10.860 144 HA PRO 22 HA PRO 22 3.101 -16.541 -12.335 145 HB2 PRO 22 2HB PRO 22 5.446 -17.189 -13.979 146 HB3 PRO 22 1HB PRO 22 3.759 -17.643 -14.204 147 HG2 PRO 22 2HG PRO 22 4.974 -15.867 -15.810 148 HG3 PRO 22 1HG PRO 22 3.258 -15.729 -15.387 149 HD2 PRO 22 2HD PRO 22 5.608 -14.237 -14.283 150 HD3 PRO 22 1HD PRO 22 3.989 -13.645 -14.700 151 H ALA 23 H ALA 23 5.959 -14.821 -11.709 152 HA ALA 23 HA ALA 23 6.766 -16.837 -9.732 153 HB1 ALA 23 1HB ALA 23 8.474 -17.315 -11.150 154 HB2 ALA 23 2HB ALA 23 9.186 -15.909 -10.359 155 HB3 ALA 23 3HB ALA 23 8.412 -15.737 -11.934 156 H CYS 24 H CYS 24 8.043 -15.940 -7.955 157 HA CYS 24 HA CYS 24 6.946 -13.595 -6.931 158 HB2 CYS 24 2HB CYS 24 8.317 -15.631 -5.869 159 HB3 CYS 24 1HB CYS 24 9.610 -14.440 -5.939 160 HG CYS 24 HG CYS 24 8.024 -14.480 -3.681 161 H ASN 25 H ASN 25 7.352 -11.544 -7.261 162 HA ASN 25 HA ASN 25 9.264 -10.589 -9.082 163 HB2 ASN 25 2HB ASN 25 7.550 -9.247 -7.000 164 HB3 ASN 25 1HB ASN 25 8.675 -8.327 -7.991 165 HD21 ASN 25 1HD2 ASN 25 8.295 -8.127 -10.201 166 HD22 ASN 25 2HD2 ASN 25 6.752 -8.471 -10.899 167 H GLY 26 H GLY 26 9.420 -11.242 -5.674 168 HA2 GLY 26 2HA GLY 26 11.788 -9.625 -5.274 169 HA3 GLY 26 1HA GLY 26 10.975 -10.605 -4.072 170 H CYS 27 H CYS 27 11.133 -13.138 -4.884 171 HA CYS 27 HA CYS 27 14.035 -13.537 -5.074 172 HB2 CYS 27 2HB CYS 27 13.749 -15.599 -3.896 173 HB3 CYS 27 1HB CYS 27 12.848 -14.354 -3.037 174 HG CYS 27 HG CYS 27 11.025 -15.991 -3.136 175 H GLY 28 H GLY 28 11.433 -13.721 -7.112 176 HA2 GLY 28 2HA GLY 28 11.285 -14.598 -9.226 177 HA3 GLY 28 1HA GLY 28 12.931 -15.174 -9.039 178 H CYS 29 H CYS 29 10.958 -16.321 -6.532 179 HA CYS 29 HA CYS 29 11.160 -18.994 -7.518 180 HB2 CYS 29 2HB CYS 29 10.192 -19.702 -5.483 181 HB3 CYS 29 1HB CYS 29 11.162 -18.295 -5.067 182 HG CYS 29 HG CYS 29 8.135 -17.848 -5.469 183 H VAL 30 H VAL 30 9.586 -20.362 -8.280 184 HA VAL 30 HA VAL 30 7.449 -19.070 -9.707 185 HB VAL 30 HB VAL 30 7.528 -22.020 -9.589 186 HG11 VAL 30 1HG1 VAL 30 6.106 -21.497 -11.236 187 HG12 VAL 30 2HG1 VAL 30 7.570 -21.290 -12.199 188 HG13 VAL 30 3HG1 VAL 30 6.797 -19.889 -11.458 189 HG21 VAL 30 1HG2 VAL 30 9.815 -21.933 -9.701 190 HG22 VAL 30 2HG2 VAL 30 9.826 -20.353 -10.482 191 HG23 VAL 30 3HG2 VAL 30 9.413 -21.794 -11.412 192 H PHE 31 H PHE 31 5.318 -19.124 -9.325 193 HA PHE 31 HA PHE 31 4.427 -20.018 -6.723 194 HB2 PHE 31 2HB PHE 31 2.975 -18.620 -8.979 195 HB3 PHE 31 1HB PHE 31 2.235 -19.032 -7.435 196 HD1 PHE 31 1HD PHE 31 3.144 -18.000 -5.340 197 HD2 PHE 31 2HD PHE 31 4.269 -16.678 -9.225 198 HE1 PHE 31 1HE PHE 31 3.936 -15.877 -4.384 199 HE2 PHE 31 2HE PHE 31 5.062 -14.551 -8.276 200 HZ PHE 31 HZ PHE 31 4.898 -14.149 -5.853 201 H THR 32 H THR 32 3.225 -21.723 -6.287 202 HA THR 32 HA THR 32 2.270 -23.391 -8.521 203 HB THR 32 HB THR 32 2.924 -25.386 -7.349 204 HG1 THR 32 1HG THR 32 4.148 -25.080 -5.334 205 HG21 THR 32 1HG2 THR 32 5.434 -24.103 -6.751 206 HG22 THR 32 2HG2 THR 32 4.793 -23.583 -8.309 207 HG23 THR 32 3HG2 THR 32 5.040 -25.299 -7.985 208 H THR 33 H THR 33 0.616 -25.027 -7.766 209 HA THR 33 HA THR 33 -1.669 -23.823 -6.842 210 HB THR 33 HB THR 33 -0.945 -26.722 -6.402 211 HG1 THR 33 1HG THR 33 -2.430 -26.337 -8.564 212 HG21 THR 33 1HG2 THR 33 -3.669 -25.811 -7.134 213 HG22 THR 33 2HG2 THR 33 -3.144 -25.623 -5.462 214 HG23 THR 33 3HG2 THR 33 -3.154 -27.221 -6.209 215 H THR 34 H THR 34 0.746 -25.559 -4.882 216 HA THR 34 HA THR 34 -0.706 -25.286 -2.474 217 HB THR 34 HB THR 34 2.282 -25.636 -2.819 218 HG1 THR 34 1HG THR 34 0.155 -27.498 -2.714 219 HG21 THR 34 1HG2 THR 34 1.511 -25.013 -0.518 220 HG22 THR 34 2HG2 THR 34 2.347 -26.561 -0.646 221 HG23 THR 34 3HG2 THR 34 0.589 -26.517 -0.501 222 H VAL 35 H VAL 35 1.696 -23.220 -4.059 223 HA VAL 35 HA VAL 35 1.711 -21.401 -1.793 224 HB VAL 35 HB VAL 35 3.053 -21.138 -4.482 225 HG11 VAL 35 1HG1 VAL 35 2.518 -19.040 -3.061 226 HG12 VAL 35 2HG1 VAL 35 4.147 -19.249 -3.701 227 HG13 VAL 35 3HG1 VAL 35 3.808 -19.626 -2.013 228 HG21 VAL 35 1HG2 VAL 35 4.562 -22.580 -3.729 229 HG22 VAL 35 2HG2 VAL 35 3.709 -22.721 -2.191 230 HG23 VAL 35 3HG2 VAL 35 4.927 -21.464 -2.411 231 H ARG 36 H ARG 36 0.134 -20.054 -1.544 232 HA ARG 36 HA ARG 36 -1.598 -19.210 -3.679 233 HB2 ARG 36 2HB ARG 36 -1.418 -18.331 -0.792 234 HB3 ARG 36 1HB ARG 36 -2.678 -17.836 -1.915 235 HG2 ARG 36 2HG ARG 36 -2.124 -20.687 -1.125 236 HG3 ARG 36 1HG ARG 36 -3.360 -19.662 -0.394 237 HD2 ARG 36 2HD ARG 36 -4.388 -19.387 -2.632 238 HD3 ARG 36 1HD ARG 36 -3.200 -20.514 -3.283 239 HE ARG 36 HE ARG 36 -4.472 -22.222 -2.472 240 HH11 ARG 36 1HH1 ARG 36 -5.271 -19.321 -0.722 241 HH12 ARG 36 2HH1 ARG 36 -6.556 -20.059 0.174 242 HH21 ARG 36 1HH2 ARG 36 -6.163 -23.207 -1.296 243 HH22 ARG 36 2HH2 ARG 36 -7.063 -22.269 -0.152 244 H ARG 37 H ARG 37 -1.905 -17.087 -4.421 245 HA ARG 37 HA ARG 37 0.568 -15.558 -4.496 246 HB2 ARG 37 2HB ARG 37 -1.982 -15.488 -6.077 247 HB3 ARG 37 1HB ARG 37 -0.857 -14.137 -6.141 248 HG2 ARG 37 2HG ARG 37 0.879 -15.529 -6.995 249 HG3 ARG 37 1HG ARG 37 -0.085 -16.979 -6.741 250 HD2 ARG 37 2HD ARG 37 -1.775 -15.903 -8.337 251 HD3 ARG 37 1HD ARG 37 -0.467 -14.799 -8.767 252 HE ARG 37 HE ARG 37 -0.738 -17.544 -9.542 253 HH11 ARG 37 1HH1 ARG 37 1.525 -14.968 -8.950 254 HH12 ARG 37 2HH1 ARG 37 2.772 -15.661 -9.932 255 HH21 ARG 37 1HH2 ARG 37 0.898 -18.479 -10.821 256 HH22 ARG 37 2HH2 ARG 37 2.417 -17.667 -10.991 257 H HIS 38 H HIS 38 0.833 -13.510 -3.758 258 HA HIS 38 HA HIS 38 -1.404 -12.225 -2.380 259 HB2 HIS 38 2HB HIS 38 1.305 -12.711 -1.120 260 HB3 HIS 38 1HB HIS 38 -0.012 -11.788 -0.403 261 HD1 HIS 38 1HD HIS 38 -2.258 -13.254 0.065 262 HD2 HIS 38 2HD HIS 38 1.275 -15.361 -0.514 263 HE1 HIS 38 1HE HIS 38 -2.688 -15.553 0.988 264 HE2 HIS 38 2HE HIS 38 -0.506 -16.781 0.712 265 H HIS 39 H HIS 39 -0.818 -9.951 -1.723 266 HA HIS 39 HA HIS 39 1.084 -8.801 -3.663 267 HB2 HIS 39 2HB HIS 39 -1.601 -7.708 -2.806 268 HB3 HIS 39 1HB HIS 39 -0.442 -6.839 -3.805 269 HD1 HIS 39 1HD HIS 39 -3.068 -9.434 -3.935 270 HD2 HIS 39 2HD HIS 39 -0.132 -7.898 -6.442 271 HE1 HIS 39 1HE HIS 39 -3.653 -10.256 -6.238 272 HE2 HIS 39 2HE HIS 39 -1.827 -9.366 -7.730 273 H CYS 40 H CYS 40 2.323 -7.058 -3.023 274 HA CYS 40 HA CYS 40 2.553 -6.640 -0.140 275 HB2 CYS 40 2HB CYS 40 4.633 -7.102 -1.277 276 HB3 CYS 40 1HB CYS 40 4.289 -5.892 -2.508 277 HG CYS 40 HG CYS 40 5.297 -4.177 -1.086 278 H ARG 41 H ARG 41 2.060 -4.717 0.816 279 HA ARG 41 HA ARG 41 0.267 -2.996 -0.543 280 HB2 ARG 41 2HB ARG 41 1.564 -2.734 2.169 281 HB3 ARG 41 1HB ARG 41 0.248 -1.723 1.589 282 HG2 ARG 41 2HG ARG 41 0.088 -4.714 1.884 283 HG3 ARG 41 1HG ARG 41 -0.473 -3.554 3.091 284 HD2 ARG 41 2HD ARG 41 -1.985 -2.586 1.378 285 HD3 ARG 41 1HD ARG 41 -1.482 -3.857 0.266 286 HE ARG 41 HE ARG 41 -2.344 -5.248 2.408 287 HH11 ARG 41 1HH1 ARG 41 -3.748 -2.679 0.527 288 HH12 ARG 41 2HH1 ARG 41 -5.378 -3.201 0.788 289 HH21 ARG 41 1HH2 ARG 41 -4.488 -5.947 2.761 290 HH22 ARG 41 2HH2 ARG 41 -5.799 -5.059 2.060 291 H ASN 42 H ASN 42 3.585 -3.038 -0.601 292 HA ASN 42 HA ASN 42 3.830 -0.134 -0.881 293 HB2 ASN 42 2HB ASN 42 5.880 -2.318 -0.512 294 HB3 ASN 42 1HB ASN 42 6.316 -0.663 -0.911 295 HD21 ASN 42 1HD2 ASN 42 6.313 -2.666 1.536 296 HD22 ASN 42 2HD2 ASN 42 5.938 -1.607 2.847 297 H CYS 43 H CYS 43 5.448 -2.860 -2.508 298 HA CYS 43 HA CYS 43 5.655 -1.347 -4.919 299 HB2 CYS 43 2HB CYS 43 6.741 -3.327 -5.850 300 HB3 CYS 43 1HB CYS 43 7.397 -2.939 -4.265 301 HG CYS 43 HG CYS 43 5.798 -4.945 -3.376 302 H GLY 44 H GLY 44 3.397 -3.661 -3.669 303 HA2 GLY 44 2HA GLY 44 1.319 -4.247 -4.473 304 HA3 GLY 44 1HA GLY 44 1.579 -3.143 -5.814 305 H TYR 45 H TYR 45 3.920 -5.599 -5.187 306 HA TYR 45 HA TYR 45 3.123 -6.956 -7.663 307 HB2 TYR 45 2HB TYR 45 5.726 -7.120 -6.130 308 HB3 TYR 45 1HB TYR 45 5.388 -7.898 -7.670 309 HD1 TYR 45 2HD TYR 45 4.027 -5.757 -9.153 310 HD2 TYR 45 1HD TYR 45 7.410 -5.575 -6.579 311 HE1 TYR 45 2HE TYR 45 4.818 -3.758 -10.344 312 HE2 TYR 45 1HE TYR 45 8.209 -3.575 -7.763 313 HH TYR 45 HH TYR 45 6.450 -2.262 -10.553 314 H VAL 46 H VAL 46 3.424 -9.307 -7.729 315 HA VAL 46 HA VAL 46 2.045 -10.479 -5.500 316 HB VAL 46 HB VAL 46 3.131 -11.844 -7.968 317 HG11 VAL 46 1HG1 VAL 46 1.087 -12.871 -5.997 318 HG12 VAL 46 2HG1 VAL 46 2.787 -13.339 -5.995 319 HG13 VAL 46 3HG1 VAL 46 1.767 -13.733 -7.378 320 HG21 VAL 46 1HG2 VAL 46 0.296 -11.028 -7.349 321 HG22 VAL 46 2HG2 VAL 46 0.910 -11.714 -8.853 322 HG23 VAL 46 3HG2 VAL 46 1.397 -10.092 -8.361 323 H LEU 47 H LEU 47 2.860 -11.576 -3.838 324 HA LEU 47 HA LEU 47 5.625 -12.567 -4.003 325 HB2 LEU 47 2HB LEU 47 4.373 -11.015 -1.733 326 HB3 LEU 47 1HB LEU 47 5.854 -11.929 -1.570 327 HG LEU 47 HG LEU 47 6.183 -9.486 -1.833 328 HD11 LEU 47 1HD1 LEU 47 8.093 -10.643 -2.335 329 HD12 LEU 47 2HD1 LEU 47 7.817 -9.755 -3.831 330 HD13 LEU 47 3HD1 LEU 47 7.368 -11.455 -3.721 331 HD21 LEU 47 1HD2 LEU 47 4.275 -9.590 -3.738 332 HD22 LEU 47 2HD2 LEU 47 5.738 -9.570 -4.726 333 HD23 LEU 47 3HD2 LEU 47 5.440 -8.279 -3.559 334 H CYS 48 H CYS 48 5.948 -14.549 -3.080 335 HA CYS 48 HA CYS 48 3.623 -16.068 -2.331 336 HB2 CYS 48 2HB CYS 48 5.033 -17.967 -2.329 337 HB3 CYS 48 1HB CYS 48 5.680 -16.946 -3.610 338 HG CYS 48 HG CYS 48 7.060 -17.485 -0.894 339 H GLY 49 H GLY 49 3.947 -17.515 -0.209 340 HA2 GLY 49 2HA GLY 49 3.687 -15.847 1.972 341 HA3 GLY 49 1HA GLY 49 4.117 -17.547 2.083 342 H ASP 50 H ASP 50 6.569 -17.737 1.100 343 HA ASP 50 HA ASP 50 8.236 -16.871 3.144 344 HB2 ASP 50 2HB ASP 50 8.837 -17.805 0.344 345 HB3 ASP 50 1HB ASP 50 10.108 -17.415 1.498 346 H CYS 51 H CYS 51 7.524 -15.314 0.096 347 HA CYS 51 HA CYS 51 9.515 -13.258 0.579 348 HB2 CYS 51 2HB CYS 51 7.802 -14.044 -1.711 349 HB3 CYS 51 1HB CYS 51 8.256 -12.346 -1.604 350 HG CYS 51 HG CYS 51 10.334 -14.651 -1.850 351 H SER 52 H SER 52 6.481 -13.826 1.690 352 HA SER 52 HA SER 52 6.014 -10.969 2.137 353 HB2 SER 52 2HB SER 52 3.650 -11.203 1.802 354 HB3 SER 52 1HB SER 52 4.440 -11.902 0.388 355 HG SER 52 HG SER 52 2.678 -13.151 1.429 356 H ARG 53 H ARG 53 7.276 -13.158 3.675 357 HA ARG 53 HA ARG 53 5.426 -13.770 5.801 358 HB2 ARG 53 2HB ARG 53 8.366 -14.321 5.415 359 HB3 ARG 53 1HB ARG 53 7.543 -14.683 6.927 360 HG2 ARG 53 2HG ARG 53 5.955 -16.102 5.582 361 HG3 ARG 53 1HG ARG 53 7.051 -15.875 4.219 362 HD2 ARG 53 2HD ARG 53 8.885 -16.817 5.562 363 HD3 ARG 53 1HD ARG 53 7.748 -17.109 6.877 364 HE ARG 53 HE ARG 53 6.895 -18.320 4.441 365 HH11 ARG 53 1HH1 ARG 53 9.065 -18.689 7.142 366 HH12 ARG 53 2HH1 ARG 53 9.116 -20.417 7.030 367 HH21 ARG 53 1HH2 ARG 53 6.954 -20.594 4.288 368 HH22 ARG 53 2HH2 ARG 53 7.918 -21.500 5.407 369 H HIS 54 H HIS 54 7.562 -11.182 5.038 370 HA HIS 54 HA HIS 54 8.017 -10.402 7.767 371 HB2 HIS 54 2HB HIS 54 8.550 -9.022 5.136 372 HB3 HIS 54 1HB HIS 54 8.931 -8.298 6.688 373 HD1 HIS 54 1HD HIS 54 10.792 -9.539 8.122 374 HD2 HIS 54 2HD HIS 54 10.400 -10.818 4.189 375 HE1 HIS 54 1HE HIS 54 12.893 -10.825 7.621 376 HE2 HIS 54 2HE HIS 54 12.677 -11.503 5.204 377 H ARG 55 H ARG 55 7.441 -8.197 8.494 378 HA ARG 55 HA ARG 55 4.940 -7.185 7.388 379 HB2 ARG 55 2HB ARG 55 5.288 -7.862 10.316 380 HB3 ARG 55 1HB ARG 55 3.884 -7.086 9.593 381 HG2 ARG 55 2HG ARG 55 3.544 -9.116 8.205 382 HG3 ARG 55 1HG ARG 55 4.851 -9.891 9.103 383 HD2 ARG 55 2HD ARG 55 3.559 -9.421 11.201 384 HD3 ARG 55 1HD ARG 55 2.221 -8.896 10.181 385 HE ARG 55 HE ARG 55 3.223 -11.541 9.603 386 HH11 ARG 55 1HH1 ARG 55 0.943 -9.638 11.428 387 HH12 ARG 55 2HH1 ARG 55 -0.154 -10.956 11.672 388 HH21 ARG 55 1HH2 ARG 55 1.785 -13.278 9.921 389 HH22 ARG 55 2HH2 ARG 55 0.325 -13.025 10.817 390 H ALA 56 H ALA 56 4.792 -5.028 7.454 391 HA ALA 56 HA ALA 56 6.370 -3.444 9.302 392 HB1 ALA 56 1HB ALA 56 7.313 -3.983 6.610 393 HB2 ALA 56 2HB ALA 56 8.158 -3.271 7.985 394 HB3 ALA 56 3HB ALA 56 7.161 -2.257 6.942 395 H ALA 57 H ALA 57 5.853 -1.184 9.282 396 HA ALA 57 HA ALA 57 3.188 -0.665 8.219 397 HB1 ALA 57 1HB ALA 57 3.122 1.195 9.719 398 HB2 ALA 57 2HB ALA 57 4.859 1.099 10.009 399 HB3 ALA 57 3HB ALA 57 3.793 -0.168 10.613 400 H ILE 58 H ILE 58 2.757 1.136 6.854 401 HA ILE 58 HA ILE 58 5.138 2.296 5.571 402 HB ILE 58 HB ILE 58 2.592 1.844 4.068 403 HG12 ILE 58 2HG1 ILE 58 4.801 -0.205 4.358 404 HG13 ILE 58 1HG1 ILE 58 3.227 -0.317 5.139 405 HG21 ILE 58 1HG2 ILE 58 4.384 3.243 3.123 406 HG22 ILE 58 2HG2 ILE 58 4.089 1.795 2.162 407 HG23 ILE 58 3HG2 ILE 58 5.489 1.875 3.229 408 HD11 ILE 58 1HD1 ILE 58 3.880 -1.413 2.738 409 HD12 ILE 58 2HD1 ILE 58 3.083 0.083 2.253 410 HD13 ILE 58 3HD1 ILE 58 2.241 -1.070 3.288 411 HA PRO 59 HA PRO 59 2.524 5.702 7.258 412 HB2 PRO 59 2HB PRO 59 4.626 7.335 7.822 413 HB3 PRO 59 1HB PRO 59 4.024 6.097 8.928 414 HG2 PRO 59 2HG PRO 59 6.349 5.979 7.044 415 HG3 PRO 59 1HG PRO 59 6.239 5.416 8.723 416 HD2 PRO 59 2HD PRO 59 6.042 3.726 6.630 417 HD3 PRO 59 1HD PRO 59 5.126 3.476 8.131 418 H MET 60 H MET 60 4.623 5.435 4.535 419 HA MET 60 HA MET 60 4.135 8.167 3.659 420 HB2 MET 60 2HB MET 60 5.532 5.815 2.369 421 HB3 MET 60 1HB MET 60 5.359 7.391 1.610 422 HG2 MET 60 2HG MET 60 6.609 8.386 3.495 423 HG3 MET 60 1HG MET 60 6.859 6.763 4.140 424 HE1 MET 60 1HE MET 60 9.074 8.213 4.119 425 HE2 MET 60 2HE MET 60 10.258 8.111 2.815 426 HE3 MET 60 3HE MET 60 9.880 6.682 3.777 427 H ARG 61 H ARG 61 3.153 4.885 3.029 428 HA ARG 61 HA ARG 61 1.374 5.603 0.856 429 HB2 ARG 61 2HB ARG 61 1.618 2.967 2.307 430 HB3 ARG 61 1HB ARG 61 0.881 3.248 0.735 431 HG2 ARG 61 2HG ARG 61 3.794 3.670 1.362 432 HG3 ARG 61 1HG ARG 61 3.122 2.229 0.596 433 HD2 ARG 61 2HD ARG 61 2.660 4.960 -0.547 434 HD3 ARG 61 1HD ARG 61 4.139 4.067 -0.894 435 HE ARG 61 HE ARG 61 1.456 3.441 -1.821 436 HH11 ARG 61 1HH1 ARG 61 4.784 2.449 -1.527 437 HH12 ARG 61 2HH1 ARG 61 4.674 1.258 -2.778 438 HH21 ARG 61 1HH2 ARG 61 1.301 1.869 -3.467 439 HH22 ARG 61 2HH2 ARG 61 2.695 0.927 -3.879 440 H GLY 62 H GLY 62 1.205 6.069 4.040 441 HA2 GLY 62 2HA GLY 62 -0.686 6.920 5.170 442 HA3 GLY 62 1HA GLY 62 -1.717 6.096 4.010 443 H ILE 63 H ILE 63 0.700 4.027 5.086 444 HA ILE 63 HA ILE 63 -1.203 2.669 6.840 445 HB ILE 63 HB ILE 63 1.384 1.715 5.593 446 HG12 ILE 63 2HG1 ILE 63 -1.454 0.916 4.934 447 HG13 ILE 63 1HG1 ILE 63 -0.562 2.149 4.051 448 HG21 ILE 63 1HG2 ILE 63 1.054 0.518 7.630 449 HG22 ILE 63 2HG2 ILE 63 0.603 -0.544 6.295 450 HG23 ILE 63 3HG2 ILE 63 -0.648 0.245 7.259 451 HD11 ILE 63 1HD1 ILE 63 0.706 -0.509 4.349 452 HD12 ILE 63 2HD1 ILE 63 0.762 0.636 3.006 453 HD13 ILE 63 3HD1 ILE 63 -0.669 -0.365 3.254 454 H THR 64 H THR 64 -1.028 3.530 8.848 455 HA THR 64 HA THR 64 1.575 4.182 9.954 456 HB THR 64 HB THR 64 0.268 4.973 11.917 457 HG1 THR 64 1HG THR 64 -2.042 4.487 10.380 458 HG21 THR 64 1HG2 THR 64 0.691 6.385 9.822 459 HG22 THR 64 2HG2 THR 64 -0.548 6.919 10.959 460 HG23 THR 64 3HG2 THR 64 -1.014 6.104 9.466 461 H GLU 65 H GLU 65 -0.595 1.533 9.988 462 HA GLU 65 HA GLU 65 0.693 0.405 12.375 463 HB2 GLU 65 2HB GLU 65 -1.602 -0.853 10.889 464 HB3 GLU 65 1HB GLU 65 -1.121 -1.085 12.563 465 HG2 GLU 65 2HG GLU 65 -2.696 0.364 13.121 466 HG3 GLU 65 1HG GLU 65 -1.709 1.620 12.376 467 HA PRO 66 HA PRO 66 3.285 -2.104 9.892 468 HB2 PRO 66 2HB PRO 66 2.768 -4.348 11.765 469 HB3 PRO 66 1HB PRO 66 4.300 -3.588 11.325 470 HG2 PRO 66 2HG PRO 66 3.161 -3.167 13.719 471 HG3 PRO 66 1HG PRO 66 4.062 -1.894 12.877 472 HD2 PRO 66 2HD PRO 66 1.112 -2.256 13.167 473 HD3 PRO 66 1HD PRO 66 2.070 -0.761 13.146 474 H GLU 67 H GLU 67 2.733 -2.958 8.031 475 HA GLU 67 HA GLU 67 0.558 -4.934 7.940 476 HB2 GLU 67 2HB GLU 67 1.199 -2.790 5.905 477 HB3 GLU 67 1HB GLU 67 -0.021 -4.034 5.701 478 HG2 GLU 67 2HG GLU 67 -0.021 -1.882 7.800 479 HG3 GLU 67 1HG GLU 67 -1.024 -1.929 6.352 480 H ARG 68 H ARG 68 0.660 -6.293 5.918 481 HA ARG 68 HA ARG 68 3.212 -7.530 5.779 482 HB2 ARG 68 2HB ARG 68 2.155 -9.049 4.172 483 HB3 ARG 68 1HB ARG 68 1.180 -8.828 5.619 484 HG2 ARG 68 2HG ARG 68 -0.078 -7.052 4.266 485 HG3 ARG 68 1HG ARG 68 0.703 -7.771 2.856 486 HD2 ARG 68 2HD ARG 68 -1.396 -8.834 3.045 487 HD3 ARG 68 1HD ARG 68 -0.212 -9.992 3.649 488 HE ARG 68 HE ARG 68 -1.234 -9.893 5.685 489 HH11 ARG 68 1HH1 ARG 68 -2.120 -7.069 3.851 490 HH12 ARG 68 2HH1 ARG 68 -3.257 -6.501 5.028 491 HH21 ARG 68 1HH2 ARG 68 -2.724 -9.154 7.245 492 HH22 ARG 68 2HH2 ARG 68 -3.602 -7.688 6.960 493 H VAL 69 H VAL 69 4.749 -7.496 4.316 494 HA VAL 69 HA VAL 69 4.422 -6.124 1.755 495 HB VAL 69 HB VAL 69 6.496 -4.849 2.046 496 HG11 VAL 69 1HG1 VAL 69 4.580 -3.563 2.349 497 HG12 VAL 69 2HG1 VAL 69 5.555 -3.211 3.777 498 HG13 VAL 69 3HG1 VAL 69 4.196 -4.328 3.893 499 HG21 VAL 69 1HG2 VAL 69 7.730 -5.999 3.666 500 HG22 VAL 69 2HG2 VAL 69 6.386 -6.019 4.809 501 HG23 VAL 69 3HG2 VAL 69 7.242 -4.512 4.481 502 H CYS 70 H CYS 70 6.740 -6.266 0.640 503 HA CYS 70 HA CYS 70 7.494 -9.080 0.807 504 HB2 CYS 70 2HB CYS 70 8.171 -8.977 -1.393 505 HB3 CYS 70 1HB CYS 70 6.890 -7.776 -1.393 506 HG CYS 70 HG CYS 70 8.713 -6.518 -2.525 507 H ASP 71 H ASP 71 10.089 -8.911 -0.240 508 HA ASP 71 HA ASP 71 11.467 -8.124 2.174 509 HB2 ASP 71 2HB ASP 71 12.501 -9.356 -0.390 510 HB3 ASP 71 1HB ASP 71 13.488 -9.057 1.036 511 H ALA 72 H ALA 72 11.534 -7.005 -1.206 512 HA ALA 72 HA ALA 72 13.590 -5.105 -0.775 513 HB1 ALA 72 1HB ALA 72 12.499 -4.054 -2.900 514 HB2 ALA 72 2HB ALA 72 11.563 -5.549 -2.919 515 HB3 ALA 72 3HB ALA 72 13.324 -5.609 -3.002 516 H CYS 73 H CYS 73 10.057 -4.798 -0.780 517 HA CYS 73 HA CYS 73 9.974 -2.017 -0.341 518 HB2 CYS 73 2HB CYS 73 7.918 -4.053 0.543 519 HB3 CYS 73 1HB CYS 73 7.653 -2.339 0.235 520 HG CYS 73 HG CYS 73 8.442 -4.203 -2.116 521 H TYR 74 H TYR 74 10.014 -4.791 1.856 522 HA TYR 74 HA TYR 74 9.611 -3.421 4.256 523 HB2 TYR 74 2HB TYR 74 9.628 -5.885 4.082 524 HB3 TYR 74 1HB TYR 74 11.357 -5.848 3.756 525 HD1 TYR 74 2HD TYR 74 8.778 -5.265 6.334 526 HD2 TYR 74 1HD TYR 74 12.941 -5.625 5.526 527 HE1 TYR 74 2HE TYR 74 9.230 -5.404 8.747 528 HE2 TYR 74 1HE TYR 74 13.402 -5.768 7.938 529 HH TYR 74 HH TYR 74 12.329 -5.094 10.064 530 H LEU 75 H LEU 75 12.519 -3.987 2.358 531 HA LEU 75 HA LEU 75 14.314 -2.761 4.203 532 HB2 LEU 75 2HB LEU 75 14.455 -3.751 1.406 533 HB3 LEU 75 1HB LEU 75 15.695 -2.637 1.938 534 HG LEU 75 HG LEU 75 15.055 -5.158 3.455 535 HD11 LEU 75 1HD1 LEU 75 15.639 -5.911 1.271 536 HD12 LEU 75 2HD1 LEU 75 17.055 -6.117 2.303 537 HD13 LEU 75 3HD1 LEU 75 16.977 -4.766 1.171 538 HD21 LEU 75 1HD2 LEU 75 16.590 -4.408 4.868 539 HD22 LEU 75 2HD2 LEU 75 16.750 -2.936 3.910 540 HD23 LEU 75 3HD2 LEU 75 17.773 -4.329 3.562 541 H ALA 76 H ALA 76 12.946 -1.628 1.104 542 HA ALA 76 HA ALA 76 14.171 0.823 0.990 543 HB1 ALA 76 1HB ALA 76 12.570 1.472 -0.581 544 HB2 ALA 76 2HB ALA 76 11.291 0.544 0.202 545 HB3 ALA 76 3HB ALA 76 12.565 -0.288 -0.691 546 H LEU 77 H LEU 77 11.114 0.041 2.629 547 HA LEU 77 HA LEU 77 10.739 2.663 3.664 548 HB2 LEU 77 2HB LEU 77 9.707 -0.006 4.640 549 HB3 LEU 77 1HB LEU 77 9.176 1.547 5.256 550 HG LEU 77 HG LEU 77 8.895 0.779 2.357 551 HD11 LEU 77 1HD1 LEU 77 7.669 -0.863 3.586 552 HD12 LEU 77 2HD1 LEU 77 6.524 0.300 2.922 553 HD13 LEU 77 3HD1 LEU 77 6.961 0.372 4.628 554 HD21 LEU 77 1HD2 LEU 77 8.750 3.147 2.746 555 HD22 LEU 77 2HD2 LEU 77 7.628 2.904 4.083 556 HD23 LEU 77 3HD2 LEU 77 7.128 2.530 2.434 557 H ARG 78 H ARG 78 12.192 -0.298 4.830 558 HA ARG 78 HA ARG 78 12.875 0.376 7.418 559 HB2 ARG 78 2HB ARG 78 13.086 -1.871 6.517 560 HB3 ARG 78 1HB ARG 78 14.344 -1.343 5.413 561 HG2 ARG 78 2HG ARG 78 15.711 -0.755 7.447 562 HG3 ARG 78 1HG ARG 78 14.486 -1.601 8.393 563 HD2 ARG 78 2HD ARG 78 14.870 -3.617 7.003 564 HD3 ARG 78 1HD ARG 78 16.182 -2.763 6.194 565 HE ARG 78 HE ARG 78 16.783 -2.619 8.862 566 HH11 ARG 78 1HH1 ARG 78 16.174 -5.178 6.580 567 HH12 ARG 78 2HH1 ARG 78 17.197 -6.318 7.388 568 HH21 ARG 78 1HH2 ARG 78 18.135 -4.116 9.934 569 HH22 ARG 78 2HH2 ARG 78 18.311 -5.715 9.292 570 H SER 79 H SER 79 14.182 1.588 4.449 571 HA SER 79 HA SER 79 16.536 2.633 5.857 572 HB2 SER 79 2HB SER 79 17.485 3.083 3.676 573 HB3 SER 79 1HB SER 79 16.881 1.426 3.690 574 HG SER 79 HG SER 79 14.862 2.634 2.835 575 H SER 80 H SER 80 16.910 4.812 6.045 576 HA SER 80 HA SER 80 14.584 6.521 5.704 577 HB2 SER 80 2HB SER 80 15.687 8.066 7.156 578 HB3 SER 80 1HB SER 80 15.955 6.458 7.828 579 HG SER 80 HG SER 80 17.754 8.223 6.655 580 H ASN 81 H ASN 81 17.206 5.703 3.838 581 HA ASN 81 HA ASN 81 18.151 8.113 2.825 582 HB2 ASN 81 2HB ASN 81 17.779 5.487 1.368 583 HB3 ASN 81 1HB ASN 81 18.770 6.827 0.803 584 HD21 ASN 81 1HD2 ASN 81 19.895 7.583 3.258 585 HD22 ASN 81 2HD2 ASN 81 20.970 6.333 3.769 586 H MET 82 H MET 82 15.205 6.359 2.104 587 HA MET 82 HA MET 82 14.478 7.660 -0.261 588 HB2 MET 82 2HB MET 82 12.744 6.497 1.922 589 HB3 MET 82 1HB MET 82 12.143 7.013 0.351 590 HG2 MET 82 2HG MET 82 14.097 4.797 0.909 591 HG3 MET 82 1HG MET 82 12.436 4.639 0.337 592 HE1 MET 82 1HE MET 82 12.506 7.156 -2.030 593 HE2 MET 82 2HE MET 82 11.584 5.672 -1.794 594 HE3 MET 82 3HE MET 82 12.535 5.896 -3.263 595 H ALA 83 H ALA 83 14.131 8.621 3.098 596 HA ALA 83 HA ALA 83 12.310 10.724 2.761 597 HB1 ALA 83 1HB ALA 83 12.872 9.846 4.952 598 HB2 ALA 83 2HB ALA 83 13.185 11.581 4.892 599 HB3 ALA 83 3HB ALA 83 14.525 10.439 4.788 600 H GLY 84 H GLY 84 12.536 12.894 2.331 601 HA2 GLY 84 2HA GLY 84 13.433 14.753 1.324 602 HA3 GLY 84 1HA GLY 84 14.899 14.354 2.206 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -11.229 16.317 -4.622 2 H2 GLY 1 2HT GLY 1 -11.244 15.465 -6.083 3 H3 GLY 1 3HT GLY 1 -10.604 17.029 -6.024 4 HA2 GLY 1 1HA GLY 1 -9.360 14.521 -5.420 5 HA3 GLY 1 2HA GLY 1 -8.623 16.070 -5.799 6 HA PRO 2 HA PRO 2 -7.784 14.898 -1.316 7 HB2 PRO 2 2HB PRO 2 -5.166 15.775 -1.486 8 HB3 PRO 2 1HB PRO 2 -5.685 14.100 -1.700 9 HG2 PRO 2 2HG PRO 2 -5.067 16.174 -3.761 10 HG3 PRO 2 1HG PRO 2 -4.682 14.443 -3.760 11 HD2 PRO 2 2HD PRO 2 -6.710 15.429 -5.213 12 HD3 PRO 2 1HD PRO 2 -6.822 13.841 -4.426 13 H LEU 3 H LEU 3 -7.779 16.336 0.364 14 HA LEU 3 HA LEU 3 -8.510 19.000 -0.109 15 HB2 LEU 3 2HB LEU 3 -7.358 17.814 2.418 16 HB3 LEU 3 1HB LEU 3 -8.246 19.322 2.303 17 HG LEU 3 HG LEU 3 -9.310 16.527 1.937 18 HD11 LEU 3 1HD1 LEU 3 -9.813 16.754 4.084 19 HD12 LEU 3 2HD1 LEU 3 -10.903 18.067 3.641 20 HD13 LEU 3 3HD1 LEU 3 -9.237 18.421 4.094 21 HD21 LEU 3 1HD2 LEU 3 -11.486 18.137 1.750 22 HD22 LEU 3 2HD2 LEU 3 -10.652 17.417 0.374 23 HD23 LEU 3 3HD2 LEU 3 -10.289 19.073 0.857 24 H GLY 4 H GLY 4 -5.405 17.504 0.507 25 HA2 GLY 4 2HA GLY 4 -3.977 19.691 -0.605 26 HA3 GLY 4 1HA GLY 4 -3.853 19.708 1.149 27 H SER 5 H SER 5 -1.512 19.477 0.306 28 HA SER 5 HA SER 5 -0.592 17.033 -0.719 29 HB2 SER 5 2HB SER 5 1.612 17.753 -0.052 30 HB3 SER 5 1HB SER 5 0.723 19.170 -0.610 31 HG SER 5 HG SER 5 1.138 18.387 2.087 32 H MET 6 H MET 6 -1.478 18.023 2.486 33 HA MET 6 HA MET 6 -0.156 16.073 3.997 34 HB2 MET 6 2HB MET 6 -2.791 17.467 4.491 35 HB3 MET 6 1HB MET 6 -1.952 16.487 5.686 36 HG2 MET 6 2HG MET 6 -0.009 18.026 5.488 37 HG3 MET 6 1HG MET 6 -0.988 19.047 4.437 38 HE1 MET 6 1HE MET 6 -1.650 17.030 7.753 39 HE2 MET 6 2HE MET 6 -1.687 18.338 8.934 40 HE3 MET 6 3HE MET 6 -0.190 17.962 8.083 41 H GLY 7 H GLY 7 -3.181 15.965 2.200 42 HA2 GLY 7 2HA GLY 7 -4.295 13.641 3.234 43 HA3 GLY 7 1HA GLY 7 -4.500 14.190 1.578 44 H GLU 8 H GLU 8 -2.978 11.932 3.662 45 HA GLU 8 HA GLU 8 -1.225 10.928 1.558 46 HB2 GLU 8 2HB GLU 8 -1.604 10.011 4.417 47 HB3 GLU 8 1HB GLU 8 -0.429 9.344 3.290 48 HG2 GLU 8 2HG GLU 8 0.627 11.566 3.128 49 HG3 GLU 8 1HG GLU 8 -0.507 12.163 4.338 50 H LYS 9 H LYS 9 -4.335 10.713 1.807 51 HA LYS 9 HA LYS 9 -4.840 7.900 1.904 52 HB2 LYS 9 2HB LYS 9 -6.482 10.180 0.774 53 HB3 LYS 9 1HB LYS 9 -7.055 8.526 0.935 54 HG2 LYS 9 2HG LYS 9 -6.731 8.677 3.372 55 HG3 LYS 9 1HG LYS 9 -6.242 10.362 3.179 56 HD2 LYS 9 2HD LYS 9 -8.446 10.843 2.161 57 HD3 LYS 9 1HD LYS 9 -8.925 9.173 2.472 58 HE2 LYS 9 2HE LYS 9 -9.779 10.113 4.352 59 HE3 LYS 9 1HE LYS 9 -8.137 9.836 4.931 60 HZ1 LYS 9 1HZ LYS 9 -7.634 12.153 4.180 61 HZ2 LYS 9 2HZ LYS 9 -8.710 12.047 5.480 62 HZ3 LYS 9 3HZ LYS 9 -9.292 12.375 3.926 63 H GLN 10 H GLN 10 -3.140 9.696 -0.199 64 HA GLN 10 HA GLN 10 -4.006 8.609 -2.710 65 HB2 GLN 10 2HB GLN 10 -3.065 10.806 -2.700 66 HB3 GLN 10 1HB GLN 10 -1.640 10.262 -1.820 67 HG2 GLN 10 2HG GLN 10 -1.058 8.871 -3.819 68 HG3 GLN 10 1HG GLN 10 -2.379 9.664 -4.675 69 HE21 GLN 10 1HE2 GLN 10 -1.458 12.039 -2.767 70 HE22 GLN 10 2HE2 GLN 10 -0.220 12.777 -3.717 71 H SER 11 H SER 11 -3.413 6.693 -3.528 72 HA SER 11 HA SER 11 -0.850 5.526 -2.704 73 HB2 SER 11 2HB SER 11 -1.832 3.350 -2.339 74 HB3 SER 11 1HB SER 11 -2.707 4.520 -1.352 75 HG SER 11 HG SER 11 -4.240 4.596 -3.164 76 H LYS 12 H LYS 12 0.202 4.341 -4.263 77 HA LYS 12 HA LYS 12 -1.109 4.212 -6.901 78 HB2 LYS 12 2HB LYS 12 1.795 4.781 -6.281 79 HB3 LYS 12 1HB LYS 12 1.145 4.540 -7.897 80 HG2 LYS 12 2HG LYS 12 -0.331 6.497 -7.545 81 HG3 LYS 12 1HG LYS 12 0.458 6.764 -5.989 82 HD2 LYS 12 2HD LYS 12 2.627 6.961 -7.179 83 HD3 LYS 12 1HD LYS 12 1.759 6.824 -8.710 84 HE2 LYS 12 2HE LYS 12 1.520 9.035 -8.665 85 HE3 LYS 12 1HE LYS 12 0.411 8.813 -7.313 86 HZ1 LYS 12 1HZ LYS 12 2.476 10.357 -7.086 87 HZ2 LYS 12 2HZ LYS 12 3.296 8.910 -6.782 88 HZ3 LYS 12 3HZ LYS 12 2.006 9.373 -5.792 89 H GLY 13 H GLY 13 -0.712 2.227 -4.618 90 HA2 GLY 13 2HA GLY 13 1.157 0.275 -5.333 91 HA3 GLY 13 1HA GLY 13 -0.306 -0.019 -4.405 92 H TYR 14 H TYR 14 1.199 -0.166 -7.528 93 HA TYR 14 HA TYR 14 -1.191 -1.020 -8.901 94 HB2 TYR 14 2HB TYR 14 0.568 0.197 -10.101 95 HB3 TYR 14 1HB TYR 14 1.705 -1.108 -9.774 96 HD1 TYR 14 2HD TYR 14 -1.331 -0.172 -11.651 97 HD2 TYR 14 1HD TYR 14 1.701 -3.101 -11.083 98 HE1 TYR 14 2HE TYR 14 -2.041 -1.298 -13.719 99 HE2 TYR 14 1HE TYR 14 1.001 -4.236 -13.149 100 HH TYR 14 HH TYR 14 -1.279 -4.348 -14.506 101 H TRP 15 H TRP 15 -1.971 -3.015 -8.902 102 HA TRP 15 HA TRP 15 -0.387 -5.191 -7.764 103 HB2 TRP 15 2HB TRP 15 -2.480 -6.427 -7.669 104 HB3 TRP 15 1HB TRP 15 -2.698 -4.826 -6.968 105 HD1 TRP 15 HD TRP 15 -3.809 -6.991 -9.896 106 HE1 TRP 15 1HE TRP 15 -5.772 -5.835 -11.092 107 HE3 TRP 15 3HE TRP 15 -3.692 -2.487 -7.479 108 HZ2 TRP 15 2HZ TRP 15 -7.096 -3.342 -11.021 109 HZ3 TRP 15 3HZ TRP 15 -5.341 -0.771 -8.102 110 HH2 TRP 15 HH TRP 15 -7.007 -1.191 -9.839 111 H GLN 16 H GLN 16 0.742 -6.502 -9.030 112 HA GLN 16 HA GLN 16 0.237 -6.648 -11.887 113 HB2 GLN 16 2HB GLN 16 2.554 -6.579 -10.943 114 HB3 GLN 16 1HB GLN 16 2.263 -8.146 -10.203 115 HG2 GLN 16 2HG GLN 16 1.986 -9.149 -12.399 116 HG3 GLN 16 1HG GLN 16 2.229 -7.575 -13.158 117 HE21 GLN 16 1HE2 GLN 16 3.805 -9.678 -13.856 118 HE22 GLN 16 2HE2 GLN 16 5.411 -9.437 -13.270 119 H GLU 17 H GLU 17 -0.752 -8.185 -12.951 120 HA GLU 17 HA GLU 17 -2.501 -9.925 -11.650 121 HB2 GLU 17 2HB GLU 17 -1.591 -9.933 -14.524 122 HB3 GLU 17 1HB GLU 17 -2.979 -10.815 -13.903 123 HG2 GLU 17 2HG GLU 17 -3.982 -8.669 -13.206 124 HG3 GLU 17 1HG GLU 17 -2.622 -7.829 -13.948 125 H ASP 18 H ASP 18 -2.694 -12.182 -11.712 126 HA ASP 18 HA ASP 18 -0.543 -13.692 -10.809 127 HB2 ASP 18 2HB ASP 18 -2.889 -14.315 -10.498 128 HB3 ASP 18 1HB ASP 18 -3.049 -14.617 -12.220 129 H GLU 19 H GLU 19 -2.054 -13.791 -14.020 130 HA GLU 19 HA GLU 19 -0.264 -15.618 -15.152 131 HB2 GLU 19 2HB GLU 19 -1.971 -13.492 -16.440 132 HB3 GLU 19 1HB GLU 19 -1.082 -14.707 -17.346 133 HG2 GLU 19 2HG GLU 19 -2.353 -16.467 -16.193 134 HG3 GLU 19 1HG GLU 19 -3.268 -15.223 -15.341 135 H ASP 20 H ASP 20 -0.173 -12.084 -15.069 136 HA ASP 20 HA ASP 20 2.100 -11.859 -16.756 137 HB2 ASP 20 2HB ASP 20 0.943 -9.930 -14.729 138 HB3 ASP 20 1HB ASP 20 2.223 -9.525 -15.869 139 H ALA 21 H ALA 21 1.595 -12.313 -13.358 140 HA ALA 21 HA ALA 21 4.514 -12.334 -12.909 141 HB1 ALA 21 1HB ALA 21 2.418 -11.954 -10.783 142 HB2 ALA 21 2HB ALA 21 3.171 -10.613 -11.645 143 HB3 ALA 21 3HB ALA 21 4.155 -11.687 -10.654 144 HA PRO 22 HA PRO 22 2.962 -16.688 -12.370 145 HB2 PRO 22 2HB PRO 22 4.775 -17.873 -13.959 146 HB3 PRO 22 1HB PRO 22 3.324 -17.106 -14.611 147 HG2 PRO 22 2HG PRO 22 6.115 -16.031 -14.452 148 HG3 PRO 22 1HG PRO 22 4.979 -15.985 -15.814 149 HD2 PRO 22 2HD PRO 22 5.370 -13.878 -14.139 150 HD3 PRO 22 1HD PRO 22 3.822 -14.192 -14.950 151 H ALA 23 H ALA 23 5.830 -14.972 -11.804 152 HA ALA 23 HA ALA 23 6.701 -16.996 -9.859 153 HB1 ALA 23 1HB ALA 23 9.080 -16.404 -10.434 154 HB2 ALA 23 2HB ALA 23 8.452 -15.603 -11.874 155 HB3 ALA 23 3HB ALA 23 8.217 -17.337 -11.657 156 H CYS 24 H CYS 24 7.969 -16.104 -8.081 157 HA CYS 24 HA CYS 24 6.892 -13.719 -7.091 158 HB2 CYS 24 2HB CYS 24 7.871 -15.661 -5.784 159 HB3 CYS 24 1HB CYS 24 9.456 -14.985 -6.143 160 HG CYS 24 HG CYS 24 8.961 -13.005 -4.634 161 H ASN 25 H ASN 25 7.371 -11.693 -7.445 162 HA ASN 25 HA ASN 25 9.349 -10.814 -9.223 163 HB2 ASN 25 2HB ASN 25 7.699 -9.374 -7.148 164 HB3 ASN 25 1HB ASN 25 8.820 -8.531 -8.213 165 HD21 ASN 25 1HD2 ASN 25 8.508 -8.969 -10.566 166 HD22 ASN 25 2HD2 ASN 25 6.884 -9.072 -11.143 167 H GLY 26 H GLY 26 9.453 -11.425 -5.792 168 HA2 GLY 26 2HA GLY 26 11.862 -9.872 -5.406 169 HA3 GLY 26 1HA GLY 26 11.031 -10.832 -4.198 170 H CYS 27 H CYS 27 11.111 -13.358 -5.013 171 HA CYS 27 HA CYS 27 13.995 -13.855 -5.222 172 HB2 CYS 27 2HB CYS 27 13.589 -15.971 -4.110 173 HB3 CYS 27 1HB CYS 27 12.877 -14.658 -3.179 174 HG CYS 27 HG CYS 27 11.130 -16.539 -3.252 175 H GLY 28 H GLY 28 11.379 -13.918 -7.253 176 HA2 GLY 28 2HA GLY 28 11.170 -14.781 -9.362 177 HA3 GLY 28 1HA GLY 28 12.797 -15.415 -9.200 178 H CYS 29 H CYS 29 10.771 -16.483 -6.690 179 HA CYS 29 HA CYS 29 10.887 -19.169 -7.656 180 HB2 CYS 29 2HB CYS 29 9.949 -19.825 -5.608 181 HB3 CYS 29 1HB CYS 29 10.894 -18.398 -5.205 182 HG CYS 29 HG CYS 29 8.819 -17.647 -4.137 183 H VAL 30 H VAL 30 9.266 -20.485 -8.414 184 HA VAL 30 HA VAL 30 7.141 -19.119 -9.803 185 HB VAL 30 HB VAL 30 7.142 -22.070 -9.733 186 HG11 VAL 30 1HG1 VAL 30 6.426 -19.890 -11.536 187 HG12 VAL 30 2HG1 VAL 30 5.740 -21.506 -11.379 188 HG13 VAL 30 3HG1 VAL 30 7.201 -21.257 -12.335 189 HG21 VAL 30 1HG2 VAL 30 9.447 -20.452 -10.752 190 HG22 VAL 30 2HG2 VAL 30 9.016 -21.988 -11.505 191 HG23 VAL 30 3HG2 VAL 30 9.464 -21.935 -9.799 192 H PHE 31 H PHE 31 5.012 -19.133 -9.377 193 HA PHE 31 HA PHE 31 4.166 -20.026 -6.759 194 HB2 PHE 31 2HB PHE 31 2.651 -18.616 -8.970 195 HB3 PHE 31 1HB PHE 31 1.995 -18.972 -7.374 196 HD1 PHE 31 1HD PHE 31 3.046 -17.911 -5.363 197 HD2 PHE 31 2HD PHE 31 3.993 -16.724 -9.339 198 HE1 PHE 31 1HE PHE 31 3.961 -15.792 -4.509 199 HE2 PHE 31 2HE PHE 31 4.910 -14.603 -8.492 200 HZ PHE 31 HZ PHE 31 4.896 -14.137 -6.074 201 H THR 32 H THR 32 2.978 -21.727 -6.303 202 HA THR 32 HA THR 32 1.921 -23.363 -8.511 203 HB THR 32 HB THR 32 2.649 -25.368 -7.444 204 HG1 THR 32 1HG THR 32 3.153 -23.676 -5.260 205 HG21 THR 32 1HG2 THR 32 5.124 -23.987 -6.801 206 HG22 THR 32 2HG2 THR 32 4.474 -23.562 -8.385 207 HG23 THR 32 3HG2 THR 32 4.799 -25.249 -7.989 208 H THR 33 H THR 33 0.328 -25.042 -7.666 209 HA THR 33 HA THR 33 -1.929 -23.850 -6.655 210 HB THR 33 HB THR 33 -1.139 -26.744 -6.282 211 HG1 THR 33 1HG THR 33 -1.642 -27.042 -8.311 212 HG21 THR 33 1HG2 THR 33 -3.921 -25.751 -6.714 213 HG22 THR 33 2HG2 THR 33 -3.230 -25.832 -5.094 214 HG23 THR 33 3HG2 THR 33 -3.370 -27.297 -6.068 215 H THR 34 H THR 34 0.573 -25.584 -4.801 216 HA THR 34 HA THR 34 -0.783 -25.316 -2.334 217 HB THR 34 HB THR 34 2.186 -25.697 -2.796 218 HG1 THR 34 1HG THR 34 1.574 -27.551 -3.532 219 HG21 THR 34 1HG2 THR 34 2.180 -26.824 -0.628 220 HG22 THR 34 2HG2 THR 34 0.491 -26.368 -0.403 221 HG23 THR 34 3HG2 THR 34 1.737 -25.123 -0.491 222 H VAL 35 H VAL 35 1.554 -23.254 -4.012 223 HA VAL 35 HA VAL 35 1.722 -21.467 -1.732 224 HB VAL 35 HB VAL 35 2.883 -21.257 -4.503 225 HG11 VAL 35 1HG1 VAL 35 2.652 -19.037 -3.842 226 HG12 VAL 35 2HG1 VAL 35 4.296 -19.448 -3.350 227 HG13 VAL 35 3HG1 VAL 35 3.002 -19.407 -2.153 228 HG21 VAL 35 1HG2 VAL 35 4.914 -21.352 -2.612 229 HG22 VAL 35 2HG2 VAL 35 4.424 -22.648 -3.705 230 HG23 VAL 35 3HG2 VAL 35 3.746 -22.563 -2.079 231 H ARG 36 H ARG 36 0.160 -20.137 -1.349 232 HA ARG 36 HA ARG 36 -1.754 -19.270 -3.298 233 HB2 ARG 36 2HB ARG 36 -1.249 -18.321 -0.470 234 HB3 ARG 36 1HB ARG 36 -2.634 -17.870 -1.455 235 HG2 ARG 36 2HG ARG 36 -3.301 -20.241 -1.552 236 HG3 ARG 36 1HG ARG 36 -1.952 -20.637 -0.486 237 HD2 ARG 36 2HD ARG 36 -3.862 -20.475 0.898 238 HD3 ARG 36 1HD ARG 36 -2.934 -19.000 1.164 239 HE ARG 36 HE ARG 36 -4.665 -17.790 0.275 240 HH11 ARG 36 1HH1 ARG 36 -5.100 -21.157 -0.489 241 HH12 ARG 36 2HH1 ARG 36 -6.692 -20.941 -1.137 242 HH21 ARG 36 1HH2 ARG 36 -6.764 -17.491 -0.573 243 HH22 ARG 36 2HH2 ARG 36 -7.638 -18.855 -1.185 244 H ARG 37 H ARG 37 -2.020 -17.261 -4.190 245 HA ARG 37 HA ARG 37 0.412 -15.738 -4.537 246 HB2 ARG 37 2HB ARG 37 -1.098 -16.296 -6.428 247 HB3 ARG 37 1HB ARG 37 -2.336 -15.279 -5.705 248 HG2 ARG 37 2HG ARG 37 -0.956 -13.324 -5.989 249 HG3 ARG 37 1HG ARG 37 0.371 -14.321 -6.594 250 HD2 ARG 37 2HD ARG 37 -2.337 -14.030 -7.886 251 HD3 ARG 37 1HD ARG 37 -0.855 -13.233 -8.419 252 HE ARG 37 HE ARG 37 -1.582 -16.001 -8.808 253 HH11 ARG 37 1HH1 ARG 37 0.969 -13.636 -8.800 254 HH12 ARG 37 2HH1 ARG 37 2.056 -14.612 -9.730 255 HH21 ARG 37 1HH2 ARG 37 -0.157 -17.299 -10.031 256 HH22 ARG 37 2HH2 ARG 37 1.415 -16.694 -10.432 257 H HIS 38 H HIS 38 0.802 -13.667 -3.860 258 HA HIS 38 HA HIS 38 -1.294 -12.251 -2.410 259 HB2 HIS 38 2HB HIS 38 1.405 -12.899 -1.209 260 HB3 HIS 38 1HB HIS 38 0.207 -11.827 -0.493 261 HD1 HIS 38 1HD HIS 38 -2.136 -13.041 0.146 262 HD2 HIS 38 2HD HIS 38 1.137 -15.516 -0.514 263 HE1 HIS 38 1HE HIS 38 -2.742 -15.250 1.184 264 HE2 HIS 38 2HE HIS 38 -0.705 -16.698 0.865 265 H HIS 39 H HIS 39 -0.553 -10.034 -1.771 266 HA HIS 39 HA HIS 39 1.418 -8.960 -3.686 267 HB2 HIS 39 2HB HIS 39 -1.273 -7.738 -3.046 268 HB3 HIS 39 1HB HIS 39 -0.048 -7.038 -4.100 269 HD1 HIS 39 1HD HIS 39 0.527 -8.585 -6.283 270 HD2 HIS 39 2HD HIS 39 -3.064 -9.321 -4.326 271 HE1 HIS 39 1HE HIS 39 -0.883 -9.866 -7.925 272 HE2 HIS 39 2HE HIS 39 -3.085 -10.219 -6.751 273 H CYS 40 H CYS 40 2.563 -7.121 -3.040 274 HA CYS 40 HA CYS 40 2.653 -6.672 -0.156 275 HB2 CYS 40 2HB CYS 40 4.791 -7.082 -1.196 276 HB3 CYS 40 1HB CYS 40 4.473 -5.884 -2.445 277 HG CYS 40 HG CYS 40 4.549 -4.625 0.304 278 H ARG 41 H ARG 41 2.094 -4.747 0.775 279 HA ARG 41 HA ARG 41 0.326 -3.066 -0.677 280 HB2 ARG 41 2HB ARG 41 1.459 -2.809 2.108 281 HB3 ARG 41 1HB ARG 41 0.189 -1.784 1.456 282 HG2 ARG 41 2HG ARG 41 -1.196 -3.815 1.108 283 HG3 ARG 41 1HG ARG 41 0.058 -4.754 1.923 284 HD2 ARG 41 2HD ARG 41 -1.629 -4.241 3.532 285 HD3 ARG 41 1HD ARG 41 -0.214 -3.254 3.901 286 HE ARG 41 HE ARG 41 -1.749 -1.661 2.309 287 HH11 ARG 41 1HH1 ARG 41 -2.285 -3.397 5.281 288 HH12 ARG 41 2HH1 ARG 41 -3.460 -2.272 5.876 289 HH21 ARG 41 1HH2 ARG 41 -3.291 -0.175 3.083 290 HH22 ARG 41 2HH2 ARG 41 -4.031 -0.438 4.628 291 H ASN 42 H ASN 42 3.636 -3.036 -0.602 292 HA ASN 42 HA ASN 42 3.834 -0.122 -0.838 293 HB2 ASN 42 2HB ASN 42 5.909 -2.271 -0.410 294 HB3 ASN 42 1HB ASN 42 6.330 -0.602 -0.773 295 HD21 ASN 42 1HD2 ASN 42 6.288 -2.628 1.650 296 HD22 ASN 42 2HD2 ASN 42 5.838 -1.593 2.956 297 H CYS 43 H CYS 43 5.584 -2.789 -2.428 298 HA CYS 43 HA CYS 43 5.871 -1.255 -4.815 299 HB2 CYS 43 2HB CYS 43 7.025 -3.212 -5.713 300 HB3 CYS 43 1HB CYS 43 7.594 -2.841 -4.091 301 HG CYS 43 HG CYS 43 6.145 -4.887 -3.242 302 H GLY 44 H GLY 44 3.550 -3.558 -3.693 303 HA2 GLY 44 2HA GLY 44 1.516 -4.142 -4.609 304 HA3 GLY 44 1HA GLY 44 1.848 -3.029 -5.925 305 H TYR 45 H TYR 45 4.213 -5.436 -5.299 306 HA TYR 45 HA TYR 45 3.465 -6.792 -7.782 307 HB2 TYR 45 2HB TYR 45 6.029 -6.794 -6.189 308 HB3 TYR 45 1HB TYR 45 5.756 -7.817 -7.592 309 HD1 TYR 45 1HD TYR 45 5.734 -4.240 -6.561 310 HD2 TYR 45 2HD TYR 45 6.305 -7.036 -9.710 311 HE1 TYR 45 1HE TYR 45 6.512 -2.421 -8.022 312 HE2 TYR 45 2HE TYR 45 7.082 -5.227 -11.186 313 HH TYR 45 HH TYR 45 6.630 -2.542 -11.204 314 H VAL 46 H VAL 46 3.856 -9.157 -7.846 315 HA VAL 46 HA VAL 46 2.385 -10.348 -5.674 316 HB VAL 46 HB VAL 46 3.531 -11.654 -8.148 317 HG11 VAL 46 1HG1 VAL 46 1.369 -12.783 -6.409 318 HG12 VAL 46 2HG1 VAL 46 3.069 -13.087 -6.058 319 HG13 VAL 46 3HG1 VAL 46 2.383 -13.604 -7.596 320 HG21 VAL 46 1HG2 VAL 46 1.601 -9.832 -8.190 321 HG22 VAL 46 2HG2 VAL 46 0.619 -11.224 -7.735 322 HG23 VAL 46 3HG2 VAL 46 1.556 -11.256 -9.228 323 H LEU 47 H LEU 47 3.168 -11.451 -4.009 324 HA LEU 47 HA LEU 47 5.930 -12.458 -4.129 325 HB2 LEU 47 2HB LEU 47 4.639 -10.948 -1.852 326 HB3 LEU 47 1HB LEU 47 6.140 -11.834 -1.705 327 HG LEU 47 HG LEU 47 6.395 -9.372 -1.928 328 HD11 LEU 47 1HD1 LEU 47 8.074 -9.588 -3.901 329 HD12 LEU 47 2HD1 LEU 47 7.674 -11.302 -3.790 330 HD13 LEU 47 3HD1 LEU 47 8.348 -10.462 -2.395 331 HD21 LEU 47 1HD2 LEU 47 5.710 -8.170 -3.692 332 HD22 LEU 47 2HD2 LEU 47 4.519 -9.462 -3.831 333 HD23 LEU 47 3HD2 LEU 47 5.969 -9.487 -4.835 334 H CYS 48 H CYS 48 6.230 -14.451 -3.221 335 HA CYS 48 HA CYS 48 3.880 -15.960 -2.514 336 HB2 CYS 48 2HB CYS 48 5.228 -17.863 -2.605 337 HB3 CYS 48 1HB CYS 48 6.042 -16.791 -3.741 338 HG CYS 48 HG CYS 48 7.971 -16.527 -2.152 339 H GLY 49 H GLY 49 4.248 -17.460 -0.396 340 HA2 GLY 49 2HA GLY 49 3.915 -15.803 1.794 341 HA3 GLY 49 1HA GLY 49 4.372 -17.498 1.897 342 H ASP 50 H ASP 50 6.837 -17.659 0.972 343 HA ASP 50 HA ASP 50 8.452 -16.758 3.041 344 HB2 ASP 50 2HB ASP 50 9.087 -17.745 0.273 345 HB3 ASP 50 1HB ASP 50 10.360 -17.274 1.393 346 H CYS 51 H CYS 51 7.756 -15.206 -0.008 347 HA CYS 51 HA CYS 51 9.735 -13.139 0.486 348 HB2 CYS 51 2HB CYS 51 8.037 -13.931 -1.814 349 HB3 CYS 51 1HB CYS 51 8.489 -12.232 -1.702 350 HG CYS 51 HG CYS 51 11.044 -13.382 -1.504 351 H SER 52 H SER 52 6.694 -13.732 1.571 352 HA SER 52 HA SER 52 6.198 -10.878 2.017 353 HB2 SER 52 2HB SER 52 3.820 -11.168 1.681 354 HB3 SER 52 1HB SER 52 4.656 -11.765 0.247 355 HG SER 52 HG SER 52 3.723 -13.377 2.393 356 H ARG 53 H ARG 53 7.434 -13.093 3.564 357 HA ARG 53 HA ARG 53 5.563 -13.738 5.652 358 HB2 ARG 53 2HB ARG 53 8.522 -14.206 5.319 359 HB3 ARG 53 1HB ARG 53 7.691 -14.583 6.822 360 HG2 ARG 53 2HG ARG 53 6.188 -16.087 5.531 361 HG3 ARG 53 1HG ARG 53 7.186 -15.778 4.112 362 HD2 ARG 53 2HD ARG 53 7.927 -17.826 5.078 363 HD3 ARG 53 1HD ARG 53 9.154 -16.600 5.399 364 HE ARG 53 HE ARG 53 7.206 -16.988 7.505 365 HH11 ARG 53 1HH1 ARG 53 10.323 -17.863 6.216 366 HH12 ARG 53 2HH1 ARG 53 10.941 -18.415 7.737 367 HH21 ARG 53 1HH2 ARG 53 8.013 -17.713 9.514 368 HH22 ARG 53 2HH2 ARG 53 9.628 -18.331 9.610 369 H HIS 54 H HIS 54 7.759 -11.136 4.989 370 HA HIS 54 HA HIS 54 8.086 -10.346 7.717 371 HB2 HIS 54 2HB HIS 54 8.615 -8.883 5.130 372 HB3 HIS 54 1HB HIS 54 9.013 -8.239 6.712 373 HD1 HIS 54 1HD HIS 54 10.762 -9.797 8.118 374 HD2 HIS 54 2HD HIS 54 10.585 -10.377 4.009 375 HE1 HIS 54 1HE HIS 54 12.895 -10.981 7.516 376 HE2 HIS 54 2HE HIS 54 12.828 -11.192 5.006 377 H ARG 55 H ARG 55 7.436 -8.203 8.497 378 HA ARG 55 HA ARG 55 4.941 -7.196 7.355 379 HB2 ARG 55 2HB ARG 55 5.274 -7.933 10.271 380 HB3 ARG 55 1HB ARG 55 3.885 -7.100 9.580 381 HG2 ARG 55 2HG ARG 55 3.469 -9.071 8.146 382 HG3 ARG 55 1HG ARG 55 4.783 -9.907 8.974 383 HD2 ARG 55 2HD ARG 55 3.578 -9.556 11.118 384 HD3 ARG 55 1HD ARG 55 2.234 -8.871 10.205 385 HE ARG 55 HE ARG 55 2.686 -11.333 9.083 386 HH11 ARG 55 1HH1 ARG 55 1.936 -10.132 12.263 387 HH12 ARG 55 2HH1 ARG 55 1.074 -11.556 12.740 388 HH21 ARG 55 1HH2 ARG 55 1.552 -13.215 9.699 389 HH22 ARG 55 2HH2 ARG 55 0.854 -13.309 11.281 390 H ALA 56 H ALA 56 4.730 -5.031 7.487 391 HA ALA 56 HA ALA 56 6.268 -3.456 9.365 392 HB1 ALA 56 1HB ALA 56 7.067 -3.648 6.497 393 HB2 ALA 56 2HB ALA 56 8.073 -3.619 7.944 394 HB3 ALA 56 3HB ALA 56 7.302 -2.138 7.377 395 H ALA 57 H ALA 57 5.731 -1.208 9.365 396 HA ALA 57 HA ALA 57 3.075 -0.696 8.279 397 HB1 ALA 57 1HB ALA 57 3.566 -0.188 10.658 398 HB2 ALA 57 2HB ALA 57 3.045 1.229 9.747 399 HB3 ALA 57 3HB ALA 57 4.752 1.004 10.129 400 H ILE 58 H ILE 58 2.644 1.176 6.972 401 HA ILE 58 HA ILE 58 5.026 2.319 5.683 402 HB ILE 58 HB ILE 58 2.497 1.868 4.154 403 HG12 ILE 58 2HG1 ILE 58 4.689 -0.195 4.484 404 HG13 ILE 58 1HG1 ILE 58 3.102 -0.294 5.238 405 HG21 ILE 58 1HG2 ILE 58 4.312 3.252 3.231 406 HG22 ILE 58 2HG2 ILE 58 4.016 1.806 2.269 407 HG23 ILE 58 3HG2 ILE 58 5.404 1.874 3.351 408 HD11 ILE 58 1HD1 ILE 58 3.807 -1.380 2.834 409 HD12 ILE 58 2HD1 ILE 58 2.976 0.103 2.361 410 HD13 ILE 58 3HD1 ILE 58 2.159 -1.077 3.385 411 HA PRO 59 HA PRO 59 2.384 5.720 7.348 412 HB2 PRO 59 2HB PRO 59 4.479 7.355 7.927 413 HB3 PRO 59 1HB PRO 59 3.867 6.121 9.031 414 HG2 PRO 59 2HG PRO 59 6.214 6.001 7.175 415 HG3 PRO 59 1HG PRO 59 6.083 5.438 8.852 416 HD2 PRO 59 2HD PRO 59 5.910 3.748 6.757 417 HD3 PRO 59 1HD PRO 59 4.980 3.497 8.249 418 H MET 60 H MET 60 4.503 5.443 4.641 419 HA MET 60 HA MET 60 4.025 8.178 3.766 420 HB2 MET 60 2HB MET 60 5.445 5.832 2.485 421 HB3 MET 60 1HB MET 60 5.279 7.412 1.732 422 HG2 MET 60 2HG MET 60 6.480 8.390 3.678 423 HG3 MET 60 1HG MET 60 6.760 6.752 4.264 424 HE1 MET 60 1HE MET 60 9.133 5.201 1.712 425 HE2 MET 60 2HE MET 60 7.427 5.223 1.266 426 HE3 MET 60 3HE MET 60 7.896 4.944 2.943 427 H ARG 61 H ARG 61 3.050 4.899 3.138 428 HA ARG 61 HA ARG 61 1.285 5.605 0.950 429 HB2 ARG 61 2HB ARG 61 1.519 2.989 2.440 430 HB3 ARG 61 1HB ARG 61 0.766 3.246 0.872 431 HG2 ARG 61 2HG ARG 61 3.688 3.660 1.464 432 HG3 ARG 61 1HG ARG 61 2.999 2.215 0.722 433 HD2 ARG 61 2HD ARG 61 2.643 4.971 -0.429 434 HD3 ARG 61 1HD ARG 61 4.006 3.930 -0.845 435 HE ARG 61 HE ARG 61 1.377 2.757 -1.186 436 HH11 ARG 61 1HH1 ARG 61 4.026 4.476 -2.664 437 HH12 ARG 61 2HH1 ARG 61 3.611 3.992 -4.273 438 HH21 ARG 61 1HH2 ARG 61 0.826 2.115 -3.302 439 HH22 ARG 61 2HH2 ARG 61 1.792 2.651 -4.635 440 H GLY 62 H GLY 62 1.125 6.087 4.139 441 HA2 GLY 62 2HA GLY 62 -0.752 6.964 5.271 442 HA3 GLY 62 1HA GLY 62 -1.797 6.148 4.116 443 H ILE 63 H ILE 63 0.598 4.050 5.161 444 HA ILE 63 HA ILE 63 -1.300 2.696 6.920 445 HB ILE 63 HB ILE 63 1.301 1.746 5.700 446 HG12 ILE 63 2HG1 ILE 63 -1.528 0.968 4.979 447 HG13 ILE 63 1HG1 ILE 63 -0.608 2.200 4.119 448 HG21 ILE 63 1HG2 ILE 63 -0.773 0.267 7.305 449 HG22 ILE 63 2HG2 ILE 63 0.920 0.537 7.722 450 HG23 ILE 63 3HG2 ILE 63 0.501 -0.513 6.366 451 HD11 ILE 63 1HD1 ILE 63 0.414 -0.598 4.438 452 HD12 ILE 63 2HD1 ILE 63 0.907 0.637 3.277 453 HD13 ILE 63 3HD1 ILE 63 -0.671 -0.135 3.124 454 H THR 64 H THR 64 -1.126 3.587 8.922 455 HA THR 64 HA THR 64 1.469 4.241 10.038 456 HB THR 64 HB THR 64 0.181 5.054 11.977 457 HG1 THR 64 1HG THR 64 -1.582 3.412 11.427 458 HG21 THR 64 1HG2 THR 64 0.445 6.364 9.734 459 HG22 THR 64 2HG2 THR 64 -0.615 6.965 11.012 460 HG23 THR 64 3HG2 THR 64 -1.298 6.113 9.626 461 H GLU 65 H GLU 65 -0.679 1.578 10.055 462 HA GLU 65 HA GLU 65 0.617 0.444 12.435 463 HB2 GLU 65 2HB GLU 65 -1.786 -0.601 10.923 464 HB3 GLU 65 1HB GLU 65 -1.178 -1.191 12.464 465 HG2 GLU 65 2HG GLU 65 -1.812 0.825 13.569 466 HG3 GLU 65 1HG GLU 65 -2.213 1.600 12.037 467 HA PRO 66 HA PRO 66 3.191 -2.087 9.951 468 HB2 PRO 66 2HB PRO 66 3.161 -4.434 11.437 469 HB3 PRO 66 1HB PRO 66 4.207 -3.048 11.760 470 HG2 PRO 66 2HG PRO 66 1.626 -3.820 13.049 471 HG3 PRO 66 1HG PRO 66 3.083 -3.123 13.782 472 HD2 PRO 66 2HD PRO 66 0.897 -1.636 13.277 473 HD3 PRO 66 1HD PRO 66 2.537 -0.970 13.122 474 H GLU 67 H GLU 67 2.658 -2.958 8.099 475 HA GLU 67 HA GLU 67 0.483 -4.935 7.998 476 HB2 GLU 67 2HB GLU 67 1.132 -2.800 5.957 477 HB3 GLU 67 1HB GLU 67 -0.104 -4.030 5.772 478 HG2 GLU 67 2HG GLU 67 -0.067 -1.891 7.885 479 HG3 GLU 67 1HG GLU 67 -1.049 -1.880 6.422 480 H ARG 68 H ARG 68 0.599 -6.296 5.975 481 HA ARG 68 HA ARG 68 3.150 -7.527 5.840 482 HB2 ARG 68 2HB ARG 68 2.122 -9.052 4.244 483 HB3 ARG 68 1HB ARG 68 1.079 -8.794 5.637 484 HG2 ARG 68 2HG ARG 68 -0.189 -7.126 4.273 485 HG3 ARG 68 1HG ARG 68 0.774 -7.623 2.880 486 HD2 ARG 68 2HD ARG 68 -0.021 -9.941 3.210 487 HD3 ARG 68 1HD ARG 68 -1.047 -9.376 4.527 488 HE ARG 68 HE ARG 68 -1.465 -8.971 1.683 489 HH11 ARG 68 1HH1 ARG 68 -2.376 -8.115 4.936 490 HH12 ARG 68 2HH1 ARG 68 -3.931 -7.508 4.476 491 HH21 ARG 68 1HH2 ARG 68 -3.511 -8.168 1.071 492 HH22 ARG 68 2HH2 ARG 68 -4.577 -7.538 2.283 493 H VAL 69 H VAL 69 4.704 -7.482 4.397 494 HA VAL 69 HA VAL 69 4.419 -6.089 1.845 495 HB VAL 69 HB VAL 69 6.486 -4.803 2.191 496 HG11 VAL 69 1HG1 VAL 69 4.528 -3.552 2.461 497 HG12 VAL 69 2HG1 VAL 69 5.495 -3.175 3.890 498 HG13 VAL 69 3HG1 VAL 69 4.153 -4.311 4.012 499 HG21 VAL 69 1HG2 VAL 69 7.057 -4.496 4.736 500 HG22 VAL 69 2HG2 VAL 69 7.745 -5.839 3.818 501 HG23 VAL 69 3HG2 VAL 69 6.357 -6.110 4.873 502 H CYS 70 H CYS 70 6.776 -6.211 0.782 503 HA CYS 70 HA CYS 70 7.531 -9.026 0.940 504 HB2 CYS 70 2HB CYS 70 8.237 -8.894 -1.256 505 HB3 CYS 70 1HB CYS 70 6.943 -7.705 -1.254 506 HG CYS 70 HG CYS 70 9.223 -6.867 -2.412 507 H ASP 71 H ASP 71 10.151 -8.790 -0.102 508 HA ASP 71 HA ASP 71 11.481 -8.004 2.349 509 HB2 ASP 71 2HB ASP 71 13.485 -9.022 1.389 510 HB3 ASP 71 1HB ASP 71 12.108 -10.107 1.234 511 H ALA 72 H ALA 72 11.562 -6.886 -1.026 512 HA ALA 72 HA ALA 72 13.629 -4.991 -0.588 513 HB1 ALA 72 1HB ALA 72 11.554 -4.611 -2.703 514 HB2 ALA 72 2HB ALA 72 12.692 -5.956 -2.808 515 HB3 ALA 72 3HB ALA 72 13.288 -4.296 -2.764 516 H CYS 73 H CYS 73 10.101 -4.692 -0.608 517 HA CYS 73 HA CYS 73 9.992 -1.913 -0.180 518 HB2 CYS 73 2HB CYS 73 7.956 -3.967 0.708 519 HB3 CYS 73 1HB CYS 73 7.671 -2.260 0.380 520 HG CYS 73 HG CYS 73 8.669 -3.575 -2.111 521 H TYR 74 H TYR 74 10.057 -4.668 2.030 522 HA TYR 74 HA TYR 74 9.624 -3.279 4.416 523 HB2 TYR 74 2HB TYR 74 9.672 -5.751 4.249 524 HB3 TYR 74 1HB TYR 74 11.410 -5.687 3.976 525 HD1 TYR 74 1HD TYR 74 8.751 -5.014 6.465 526 HD2 TYR 74 2HD TYR 74 12.922 -5.514 5.787 527 HE1 TYR 74 1HE TYR 74 9.129 -5.111 8.893 528 HE2 TYR 74 2HE TYR 74 13.311 -5.613 8.213 529 HH TYR 74 HH TYR 74 11.975 -6.206 10.268 530 H LEU 75 H LEU 75 12.531 -3.814 2.520 531 HA LEU 75 HA LEU 75 14.314 -2.571 4.368 532 HB2 LEU 75 2HB LEU 75 14.465 -3.605 1.592 533 HB3 LEU 75 1HB LEU 75 15.681 -2.442 2.080 534 HG LEU 75 HG LEU 75 15.142 -4.876 3.749 535 HD11 LEU 75 1HD1 LEU 75 15.569 -5.537 1.363 536 HD12 LEU 75 2HD1 LEU 75 16.736 -6.147 2.537 537 HD13 LEU 75 3HD1 LEU 75 17.150 -4.771 1.513 538 HD21 LEU 75 1HD2 LEU 75 16.705 -3.906 4.994 539 HD22 LEU 75 2HD2 LEU 75 16.986 -2.666 3.770 540 HD23 LEU 75 3HD2 LEU 75 17.849 -4.202 3.684 541 H ALA 76 H ALA 76 12.927 -1.458 1.263 542 HA ALA 76 HA ALA 76 14.131 1.015 1.158 543 HB1 ALA 76 1HB ALA 76 11.398 0.170 0.216 544 HB2 ALA 76 2HB ALA 76 12.883 0.289 -0.728 545 HB3 ALA 76 3HB ALA 76 12.092 1.752 -0.139 546 H LEU 77 H LEU 77 11.082 0.162 2.763 547 HA LEU 77 HA LEU 77 10.603 2.766 3.790 548 HB2 LEU 77 2HB LEU 77 9.709 0.058 4.797 549 HB3 LEU 77 1HB LEU 77 9.103 1.588 5.400 550 HG LEU 77 HG LEU 77 8.837 0.741 2.518 551 HD11 LEU 77 1HD1 LEU 77 7.642 -0.898 3.734 552 HD12 LEU 77 2HD1 LEU 77 6.450 0.270 3.164 553 HD13 LEU 77 3HD1 LEU 77 6.984 0.304 4.844 554 HD21 LEU 77 1HD2 LEU 77 7.071 2.452 2.486 555 HD22 LEU 77 2HD2 LEU 77 8.646 3.134 2.900 556 HD23 LEU 77 3HD2 LEU 77 7.446 2.855 4.163 557 H ARG 78 H ARG 78 12.230 -0.105 4.942 558 HA ARG 78 HA ARG 78 12.909 0.646 7.526 559 HB2 ARG 78 2HB ARG 78 13.141 -1.621 6.586 560 HB3 ARG 78 1HB ARG 78 14.468 -1.065 5.579 561 HG2 ARG 78 2HG ARG 78 15.664 -0.455 7.715 562 HG3 ARG 78 1HG ARG 78 14.391 -1.341 8.558 563 HD2 ARG 78 2HD ARG 78 14.935 -3.328 7.161 564 HD3 ARG 78 1HD ARG 78 16.301 -2.430 6.500 565 HE ARG 78 HE ARG 78 17.445 -2.774 8.462 566 HH11 ARG 78 1HH1 ARG 78 14.094 -3.616 8.897 567 HH12 ARG 78 2HH1 ARG 78 14.347 -4.356 10.443 568 HH21 ARG 78 1HH2 ARG 78 17.790 -3.745 10.497 569 HH22 ARG 78 2HH2 ARG 78 16.448 -4.427 11.355 570 H SER 79 H SER 79 14.053 1.878 4.536 571 HA SER 79 HA SER 79 16.691 2.558 5.146 572 HB2 SER 79 2HB SER 79 14.721 4.048 3.397 573 HB3 SER 79 1HB SER 79 16.474 4.241 3.368 574 HG SER 79 HG SER 79 15.602 2.791 1.748 575 H SER 80 H SER 80 13.669 4.066 6.054 576 HA SER 80 HA SER 80 14.483 6.604 6.757 577 HB2 SER 80 2HB SER 80 12.514 4.881 8.281 578 HB3 SER 80 1HB SER 80 12.609 6.641 8.323 579 HG SER 80 HG SER 80 11.205 5.187 6.673 580 H ASN 81 H ASN 81 15.009 3.580 8.448 581 HA ASN 81 HA ASN 81 16.070 4.898 10.799 582 HB2 ASN 81 2HB ASN 81 14.807 2.706 10.860 583 HB3 ASN 81 1HB ASN 81 16.214 1.957 10.112 584 HD21 ASN 81 1HD2 ASN 81 15.602 0.853 12.356 585 HD22 ASN 81 2HD2 ASN 81 16.611 1.363 13.663 586 H MET 82 H MET 82 18.062 5.675 10.869 587 HA MET 82 HA MET 82 20.041 4.787 8.931 588 HB2 MET 82 2HB MET 82 20.087 7.013 10.974 589 HB3 MET 82 1HB MET 82 21.400 6.667 9.856 590 HG2 MET 82 2HG MET 82 19.824 7.049 7.977 591 HG3 MET 82 1HG MET 82 18.609 7.543 9.155 592 HE1 MET 82 1HE MET 82 20.855 9.839 11.147 593 HE2 MET 82 2HE MET 82 19.320 8.974 11.070 594 HE3 MET 82 3HE MET 82 19.413 10.655 10.543 595 H ALA 83 H ALA 83 21.858 3.666 9.378 596 HA ALA 83 HA ALA 83 21.979 2.068 11.688 597 HB1 ALA 83 1HB ALA 83 22.991 1.637 9.375 598 HB2 ALA 83 2HB ALA 83 23.924 1.133 10.785 599 HB3 ALA 83 3HB ALA 83 24.348 2.616 9.931 600 H GLY 84 H GLY 84 23.298 2.129 13.497 601 HA2 GLY 84 2HA GLY 84 25.090 4.396 13.870 602 HA3 GLY 84 1HA GLY 84 23.696 4.326 14.938 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -14.329 21.598 1.620 2 H2 GLY 1 2HT GLY 1 -14.315 21.110 0.001 3 H3 GLY 1 3HT GLY 1 -13.466 22.495 0.474 4 HA2 GLY 1 1HA GLY 1 -12.109 21.001 1.968 5 HA3 GLY 1 2HA GLY 1 -12.833 19.668 1.084 6 HA PRO 2 HA PRO 2 -9.089 20.087 -1.369 7 HB2 PRO 2 2HB PRO 2 -9.913 18.253 -3.276 8 HB3 PRO 2 1HB PRO 2 -9.068 17.848 -1.779 9 HG2 PRO 2 2HG PRO 2 -11.990 17.742 -2.396 10 HG3 PRO 2 1HG PRO 2 -10.997 16.607 -1.462 11 HD2 PRO 2 2HD PRO 2 -12.606 18.367 -0.250 12 HD3 PRO 2 1HD PRO 2 -11.019 17.951 0.431 13 H LEU 3 H LEU 3 -8.530 21.058 -3.304 14 HA LEU 3 HA LEU 3 -10.604 22.658 -4.535 15 HB2 LEU 3 2HB LEU 3 -7.656 22.542 -5.167 16 HB3 LEU 3 1HB LEU 3 -8.782 23.783 -5.677 17 HG LEU 3 HG LEU 3 -7.835 23.248 -2.862 18 HD11 LEU 3 1HD1 LEU 3 -7.100 25.145 -4.986 19 HD12 LEU 3 2HD1 LEU 3 -6.157 24.534 -3.628 20 HD13 LEU 3 3HD1 LEU 3 -7.312 25.842 -3.380 21 HD21 LEU 3 1HD2 LEU 3 -10.033 24.986 -3.919 22 HD22 LEU 3 2HD2 LEU 3 -9.159 25.425 -2.452 23 HD23 LEU 3 3HD2 LEU 3 -10.039 23.899 -2.527 24 H GLY 4 H GLY 4 -11.306 22.533 -6.635 25 HA2 GLY 4 2HA GLY 4 -11.672 21.643 -8.726 26 HA3 GLY 4 1HA GLY 4 -10.087 20.891 -8.614 27 H SER 5 H SER 5 -10.480 18.850 -9.258 28 HA SER 5 HA SER 5 -12.451 17.323 -7.695 29 HB2 SER 5 2HB SER 5 -12.980 16.001 -9.683 30 HB3 SER 5 1HB SER 5 -13.279 17.711 -9.994 31 HG SER 5 HG SER 5 -10.746 16.759 -10.619 32 H MET 6 H MET 6 -11.968 15.078 -7.394 33 HA MET 6 HA MET 6 -9.083 14.510 -7.554 34 HB2 MET 6 2HB MET 6 -10.052 14.686 -5.263 35 HB3 MET 6 1HB MET 6 -11.110 13.335 -5.644 36 HG2 MET 6 2HG MET 6 -9.096 11.942 -6.043 37 HG3 MET 6 1HG MET 6 -8.106 13.293 -5.492 38 HE1 MET 6 1HE MET 6 -8.790 14.591 -3.519 39 HE2 MET 6 2HE MET 6 -8.306 13.712 -2.069 40 HE3 MET 6 3HE MET 6 -10.007 14.090 -2.345 41 H GLY 7 H GLY 7 -8.395 12.756 -8.644 42 HA2 GLY 7 2HA GLY 7 -10.358 11.227 -10.130 43 HA3 GLY 7 1HA GLY 7 -8.612 11.126 -10.297 44 H GLU 8 H GLU 8 -11.180 9.339 -9.539 45 HA GLU 8 HA GLU 8 -10.338 8.043 -7.147 46 HB2 GLU 8 2HB GLU 8 -12.256 7.097 -9.285 47 HB3 GLU 8 1HB GLU 8 -12.062 6.366 -7.698 48 HG2 GLU 8 2HG GLU 8 -12.761 8.507 -6.675 49 HG3 GLU 8 1HG GLU 8 -13.062 9.140 -8.292 50 H LYS 9 H LYS 9 -9.094 7.948 -10.252 51 HA LYS 9 HA LYS 9 -8.427 5.234 -10.550 52 HB2 LYS 9 2HB LYS 9 -8.146 6.983 -12.319 53 HB3 LYS 9 1HB LYS 9 -6.774 7.618 -11.420 54 HG2 LYS 9 2HG LYS 9 -5.615 5.473 -11.686 55 HG3 LYS 9 1HG LYS 9 -6.988 4.857 -12.608 56 HD2 LYS 9 2HD LYS 9 -6.640 6.667 -14.260 57 HD3 LYS 9 1HD LYS 9 -5.207 7.171 -13.363 58 HE2 LYS 9 2HE LYS 9 -5.132 4.343 -13.921 59 HE3 LYS 9 1HE LYS 9 -5.349 5.268 -15.406 60 HZ1 LYS 9 1HZ LYS 9 -3.112 5.341 -13.492 61 HZ2 LYS 9 2HZ LYS 9 -3.431 6.685 -14.466 62 HZ3 LYS 9 3HZ LYS 9 -3.072 5.193 -15.177 63 H GLN 10 H GLN 10 -7.567 7.469 -8.218 64 HA GLN 10 HA GLN 10 -4.912 6.768 -7.607 65 HB2 GLN 10 2HB GLN 10 -5.955 8.796 -6.768 66 HB3 GLN 10 1HB GLN 10 -7.149 7.853 -5.886 67 HG2 GLN 10 2HG GLN 10 -5.369 6.941 -4.473 68 HG3 GLN 10 1HG GLN 10 -4.186 7.913 -5.351 69 HE21 GLN 10 1HE2 GLN 10 -4.447 8.145 -2.634 70 HE22 GLN 10 2HE2 GLN 10 -5.123 9.687 -2.245 71 H SER 11 H SER 11 -4.109 4.978 -6.735 72 HA SER 11 HA SER 11 -5.864 3.288 -5.088 73 HB2 SER 11 2HB SER 11 -3.930 2.349 -7.219 74 HB3 SER 11 1HB SER 11 -4.756 1.285 -6.081 75 HG SER 11 HG SER 11 -5.966 2.971 -8.021 76 H LYS 12 H LYS 12 -4.864 2.175 -3.391 77 HA LYS 12 HA LYS 12 -2.707 3.466 -2.151 78 HB2 LYS 12 2HB LYS 12 -3.691 0.649 -1.648 79 HB3 LYS 12 1HB LYS 12 -2.748 1.638 -0.540 80 HG2 LYS 12 2HG LYS 12 -5.540 2.249 -1.490 81 HG3 LYS 12 1HG LYS 12 -5.107 1.572 0.081 82 HD2 LYS 12 2HD LYS 12 -3.796 3.601 0.567 83 HD3 LYS 12 1HD LYS 12 -4.292 4.275 -0.986 84 HE2 LYS 12 2HE LYS 12 -6.431 3.327 0.834 85 HE3 LYS 12 1HE LYS 12 -5.578 4.801 1.290 86 HZ1 LYS 12 1HZ LYS 12 -7.625 4.518 -0.576 87 HZ2 LYS 12 2HZ LYS 12 -6.229 4.920 -1.443 88 HZ3 LYS 12 3HZ LYS 12 -6.762 5.921 -0.189 89 H GLY 13 H GLY 13 -2.880 0.731 -4.313 90 HA2 GLY 13 2HA GLY 13 -0.135 0.934 -5.027 91 HA3 GLY 13 1HA GLY 13 -0.398 -0.448 -3.973 92 H TYR 14 H TYR 14 0.355 -0.229 -6.878 93 HA TYR 14 HA TYR 14 -1.908 -1.243 -8.328 94 HB2 TYR 14 2HB TYR 14 -0.174 0.067 -9.454 95 HB3 TYR 14 1HB TYR 14 1.015 -1.178 -9.087 96 HD1 TYR 14 2HD TYR 14 -1.916 -0.331 -11.137 97 HD2 TYR 14 1HD TYR 14 1.094 -3.232 -10.341 98 HE1 TYR 14 2HE TYR 14 -2.482 -1.482 -13.233 99 HE2 TYR 14 1HE TYR 14 0.536 -4.392 -12.439 100 HH TYR 14 HH TYR 14 -0.515 -3.905 -14.591 101 H TRP 15 H TRP 15 -2.592 -3.264 -8.342 102 HA TRP 15 HA TRP 15 -0.885 -5.387 -7.254 103 HB2 TRP 15 2HB TRP 15 -2.956 -6.724 -7.177 104 HB3 TRP 15 1HB TRP 15 -3.123 -5.204 -6.307 105 HD1 TRP 15 HD TRP 15 -4.599 -3.258 -7.567 106 HE1 TRP 15 1HE TRP 15 -6.589 -3.489 -9.181 107 HE3 TRP 15 3HE TRP 15 -3.944 -8.130 -8.977 108 HZ2 TRP 15 2HZ TRP 15 -7.734 -5.470 -10.828 109 HZ3 TRP 15 3HZ TRP 15 -5.532 -9.116 -10.577 110 HH2 TRP 15 HH TRP 15 -7.388 -7.814 -11.481 111 H GLN 16 H GLN 16 0.222 -6.657 -8.581 112 HA GLN 16 HA GLN 16 -0.423 -6.760 -11.417 113 HB2 GLN 16 2HB GLN 16 1.936 -6.543 -10.669 114 HB3 GLN 16 1HB GLN 16 1.811 -8.105 -9.876 115 HG2 GLN 16 2HG GLN 16 1.489 -9.205 -11.996 116 HG3 GLN 16 1HG GLN 16 1.475 -7.650 -12.829 117 HE21 GLN 16 1HE2 GLN 16 3.199 -9.433 -13.749 118 HE22 GLN 16 2HE2 GLN 16 4.819 -9.052 -13.286 119 H GLU 17 H GLU 17 -1.408 -8.321 -12.432 120 HA GLU 17 HA GLU 17 -2.956 -10.192 -11.114 121 HB2 GLU 17 2HB GLU 17 -2.069 -10.173 -13.997 122 HB3 GLU 17 1HB GLU 17 -3.371 -11.165 -13.356 123 HG2 GLU 17 2HG GLU 17 -4.572 -9.127 -12.695 124 HG3 GLU 17 1HG GLU 17 -3.283 -8.157 -13.405 125 H ASP 18 H ASP 18 -2.956 -12.470 -11.133 126 HA ASP 18 HA ASP 18 -0.638 -13.763 -10.253 127 HB2 ASP 18 2HB ASP 18 -3.091 -14.451 -10.013 128 HB3 ASP 18 1HB ASP 18 -2.929 -15.154 -11.615 129 H GLU 19 H GLU 19 -2.179 -13.778 -13.439 130 HA GLU 19 HA GLU 19 -0.391 -15.591 -14.638 131 HB2 GLU 19 2HB GLU 19 -2.163 -13.478 -15.862 132 HB3 GLU 19 1HB GLU 19 -1.301 -14.697 -16.786 133 HG2 GLU 19 2HG GLU 19 -2.527 -16.454 -15.586 134 HG3 GLU 19 1HG GLU 19 -3.415 -15.210 -14.708 135 H ASP 20 H ASP 20 -0.392 -12.042 -14.565 136 HA ASP 20 HA ASP 20 1.798 -11.743 -16.325 137 HB2 ASP 20 2HB ASP 20 0.721 -9.895 -14.182 138 HB3 ASP 20 1HB ASP 20 1.962 -9.438 -15.344 139 H ALA 21 H ALA 21 1.506 -12.211 -12.893 140 HA ALA 21 HA ALA 21 4.442 -12.227 -12.633 141 HB1 ALA 21 1HB ALA 21 2.526 -10.919 -11.093 142 HB2 ALA 21 2HB ALA 21 4.230 -11.145 -10.698 143 HB3 ALA 21 3HB ALA 21 3.028 -12.298 -10.114 144 HA PRO 22 HA PRO 22 3.053 -16.653 -12.293 145 HB2 PRO 22 2HB PRO 22 4.916 -17.669 -13.954 146 HB3 PRO 22 1HB PRO 22 3.411 -16.963 -14.550 147 HG2 PRO 22 2HG PRO 22 6.134 -15.720 -14.368 148 HG3 PRO 22 1HG PRO 22 4.987 -15.693 -15.720 149 HD2 PRO 22 2HD PRO 22 5.242 -13.625 -13.996 150 HD3 PRO 22 1HD PRO 22 3.691 -14.046 -14.752 151 H ALA 23 H ALA 23 5.919 -14.883 -11.751 152 HA ALA 23 HA ALA 23 6.861 -16.936 -9.868 153 HB1 ALA 23 1HB ALA 23 9.228 -16.016 -10.559 154 HB2 ALA 23 2HB ALA 23 8.399 -15.643 -12.070 155 HB3 ALA 23 3HB ALA 23 8.454 -17.305 -11.480 156 H CYS 24 H CYS 24 8.098 -16.072 -8.069 157 HA CYS 24 HA CYS 24 7.009 -13.742 -7.005 158 HB2 CYS 24 2HB CYS 24 8.206 -15.748 -5.862 159 HB3 CYS 24 1HB CYS 24 9.664 -14.790 -6.094 160 HG CYS 24 HG CYS 24 8.577 -12.941 -4.576 161 H ASN 25 H ASN 25 7.424 -11.694 -7.268 162 HA ASN 25 HA ASN 25 9.338 -10.707 -9.078 163 HB2 ASN 25 2HB ASN 25 7.713 -9.318 -6.940 164 HB3 ASN 25 1HB ASN 25 8.699 -8.468 -8.125 165 HD21 ASN 25 1HD2 ASN 25 5.767 -10.130 -7.520 166 HD22 ASN 25 2HD2 ASN 25 5.057 -9.911 -9.079 167 H GLY 26 H GLY 26 9.463 -11.374 -5.664 168 HA2 GLY 26 2HA GLY 26 11.844 -9.769 -5.271 169 HA3 GLY 26 1HA GLY 26 11.008 -10.714 -4.055 170 H CYS 27 H CYS 27 11.109 -13.254 -4.831 171 HA CYS 27 HA CYS 27 13.997 -13.740 -4.980 172 HB2 CYS 27 2HB CYS 27 13.593 -15.840 -3.876 173 HB3 CYS 27 1HB CYS 27 12.760 -14.569 -2.988 174 HG CYS 27 HG CYS 27 11.167 -16.609 -3.231 175 H GLY 28 H GLY 28 11.400 -13.842 -7.063 176 HA2 GLY 28 2HA GLY 28 11.269 -14.670 -9.198 177 HA3 GLY 28 1HA GLY 28 12.910 -15.263 -9.007 178 H CYS 29 H CYS 29 10.837 -16.416 -6.565 179 HA CYS 29 HA CYS 29 11.050 -19.084 -7.587 180 HB2 CYS 29 2HB CYS 29 10.131 -19.822 -5.564 181 HB3 CYS 29 1HB CYS 29 11.014 -18.367 -5.113 182 HG CYS 29 HG CYS 29 8.693 -18.273 -3.975 183 H VAL 30 H VAL 30 9.468 -20.421 -8.384 184 HA VAL 30 HA VAL 30 7.347 -19.078 -9.789 185 HB VAL 30 HB VAL 30 7.416 -22.038 -9.708 186 HG11 VAL 30 1HG1 VAL 30 5.988 -21.588 -11.357 187 HG12 VAL 30 2HG1 VAL 30 7.400 -21.157 -12.321 188 HG13 VAL 30 3HG1 VAL 30 6.507 -19.907 -11.455 189 HG21 VAL 30 1HG2 VAL 30 9.255 -22.021 -11.423 190 HG22 VAL 30 2HG2 VAL 30 9.766 -21.654 -9.776 191 HG23 VAL 30 3HG2 VAL 30 9.583 -20.354 -10.954 192 H PHE 31 H PHE 31 5.219 -19.119 -9.421 193 HA PHE 31 HA PHE 31 4.308 -20.017 -6.826 194 HB2 PHE 31 2HB PHE 31 2.844 -18.585 -9.055 195 HB3 PHE 31 1HB PHE 31 2.179 -18.914 -7.457 196 HD1 PHE 31 2HD PHE 31 3.435 -17.958 -5.444 197 HD2 PHE 31 1HD PHE 31 4.052 -16.639 -9.443 198 HE1 PHE 31 2HE PHE 31 4.425 -15.869 -4.599 199 HE2 PHE 31 1HE PHE 31 5.045 -14.550 -8.605 200 HZ PHE 31 HZ PHE 31 5.234 -14.163 -6.179 201 H THR 32 H THR 32 3.052 -21.695 -6.407 202 HA THR 32 HA THR 32 2.019 -23.290 -8.656 203 HB THR 32 HB THR 32 2.700 -25.332 -7.610 204 HG1 THR 32 1HG THR 32 3.828 -25.289 -5.619 205 HG21 THR 32 1HG2 THR 32 5.237 -24.110 -7.017 206 HG22 THR 32 2HG2 THR 32 4.559 -23.490 -8.522 207 HG23 THR 32 3HG2 THR 32 4.794 -25.225 -8.309 208 H THR 33 H THR 33 0.423 -24.989 -7.856 209 HA THR 33 HA THR 33 -1.851 -23.825 -6.857 210 HB THR 33 HB THR 33 -1.054 -26.718 -6.511 211 HG1 THR 33 1HG THR 33 -0.889 -26.260 -8.654 212 HG21 THR 33 1HG2 THR 33 -3.836 -25.908 -7.081 213 HG22 THR 33 2HG2 THR 33 -3.235 -25.659 -5.442 214 HG23 THR 33 3HG2 THR 33 -3.212 -27.272 -6.154 215 H THR 34 H THR 34 0.616 -25.588 -4.981 216 HA THR 34 HA THR 34 -0.780 -25.374 -2.540 217 HB THR 34 HB THR 34 2.205 -25.676 -2.960 218 HG1 THR 34 1HG THR 34 1.737 -27.607 -3.580 219 HG21 THR 34 1HG2 THR 34 1.903 -27.025 -0.772 220 HG22 THR 34 2HG2 THR 34 0.464 -26.026 -0.566 221 HG23 THR 34 3HG2 THR 34 2.049 -25.269 -0.701 222 H VAL 35 H VAL 35 1.518 -23.231 -4.155 223 HA VAL 35 HA VAL 35 1.550 -21.452 -1.855 224 HB VAL 35 HB VAL 35 2.851 -21.181 -4.558 225 HG11 VAL 35 1HG1 VAL 35 2.715 -18.993 -3.919 226 HG12 VAL 35 2HG1 VAL 35 4.207 -19.455 -3.099 227 HG13 VAL 35 3HG1 VAL 35 2.692 -19.384 -2.199 228 HG21 VAL 35 1HG2 VAL 35 4.781 -21.347 -2.561 229 HG22 VAL 35 2HG2 VAL 35 4.361 -22.595 -3.735 230 HG23 VAL 35 3HG2 VAL 35 3.593 -22.583 -2.146 231 H ARG 36 H ARG 36 -0.046 -20.142 -1.558 232 HA ARG 36 HA ARG 36 -1.852 -19.289 -3.628 233 HB2 ARG 36 2HB ARG 36 -1.579 -18.436 -0.739 234 HB3 ARG 36 1HB ARG 36 -2.879 -17.932 -1.811 235 HG2 ARG 36 2HG ARG 36 -2.289 -20.790 -1.060 236 HG3 ARG 36 1HG ARG 36 -3.517 -19.773 -0.297 237 HD2 ARG 36 2HD ARG 36 -4.578 -19.482 -2.518 238 HD3 ARG 36 1HD ARG 36 -3.406 -20.613 -3.191 239 HE ARG 36 HE ARG 36 -4.558 -22.352 -2.217 240 HH11 ARG 36 1HH1 ARG 36 -5.737 -19.313 -0.991 241 HH12 ARG 36 2HH1 ARG 36 -7.119 -20.012 -0.217 242 HH21 ARG 36 1HH2 ARG 36 -6.373 -23.286 -1.194 243 HH22 ARG 36 2HH2 ARG 36 -7.481 -22.271 -0.336 244 H ARG 37 H ARG 37 -2.165 -17.198 -4.406 245 HA ARG 37 HA ARG 37 0.272 -15.686 -4.687 246 HB2 ARG 37 2HB ARG 37 -1.285 -15.992 -6.583 247 HB3 ARG 37 1HB ARG 37 -2.500 -15.061 -5.717 248 HG2 ARG 37 2HG ARG 37 -1.065 -13.100 -5.766 249 HG3 ARG 37 1HG ARG 37 0.187 -14.028 -6.590 250 HD2 ARG 37 2HD ARG 37 -0.975 -12.747 -8.232 251 HD3 ARG 37 1HD ARG 37 -1.431 -14.436 -8.437 252 HE ARG 37 HE ARG 37 -3.129 -12.262 -7.529 253 HH11 ARG 37 1HH1 ARG 37 -2.717 -15.701 -7.923 254 HH12 ARG 37 2HH1 ARG 37 -4.414 -16.038 -7.881 255 HH21 ARG 37 1HH2 ARG 37 -5.369 -12.703 -7.472 256 HH22 ARG 37 2HH2 ARG 37 -5.919 -14.337 -7.630 257 H HIS 38 H HIS 38 0.733 -13.668 -3.913 258 HA HIS 38 HA HIS 38 -1.240 -12.346 -2.215 259 HB2 HIS 38 2HB HIS 38 1.551 -13.078 -1.308 260 HB3 HIS 38 1HB HIS 38 0.461 -12.009 -0.434 261 HD1 HIS 38 1HD HIS 38 -2.003 -13.305 0.044 262 HD2 HIS 38 2HD HIS 38 1.434 -15.601 -0.371 263 HE1 HIS 38 1HE HIS 38 -2.535 -15.511 1.126 264 HE2 HIS 38 2HE HIS 38 -0.402 -16.843 0.962 265 H HIS 39 H HIS 39 -0.621 -10.126 -1.658 266 HA HIS 39 HA HIS 39 1.243 -8.959 -3.626 267 HB2 HIS 39 2HB HIS 39 -1.409 -7.794 -2.762 268 HB3 HIS 39 1HB HIS 39 -0.282 -7.070 -3.904 269 HD1 HIS 39 1HD HIS 39 0.222 -8.823 -6.049 270 HD2 HIS 39 2HD HIS 39 -3.383 -9.140 -4.004 271 HE1 HIS 39 1HE HIS 39 -1.327 -10.048 -7.605 272 HE2 HIS 39 2HE HIS 39 -3.484 -10.286 -6.321 273 H CYS 40 H CYS 40 2.427 -7.154 -2.988 274 HA CYS 40 HA CYS 40 2.641 -6.749 -0.104 275 HB2 CYS 40 2HB CYS 40 4.733 -7.149 -1.259 276 HB3 CYS 40 1HB CYS 40 4.359 -5.914 -2.456 277 HG CYS 40 HG CYS 40 4.686 -4.910 0.431 278 H ARG 41 H ARG 41 2.096 -4.854 0.868 279 HA ARG 41 HA ARG 41 0.267 -3.154 -0.472 280 HB2 ARG 41 2HB ARG 41 1.556 -2.847 2.242 281 HB3 ARG 41 1HB ARG 41 0.157 -1.948 1.669 282 HG2 ARG 41 2HG ARG 41 0.257 -4.940 1.998 283 HG3 ARG 41 1HG ARG 41 -0.434 -3.812 3.167 284 HD2 ARG 41 2HD ARG 41 -1.997 -3.028 1.408 285 HD3 ARG 41 1HD ARG 41 -1.355 -4.268 0.333 286 HE ARG 41 HE ARG 41 -2.663 -5.794 1.410 287 HH11 ARG 41 1HH1 ARG 41 -2.250 -3.023 3.474 288 HH12 ARG 41 2HH1 ARG 41 -3.350 -3.595 4.684 289 HH21 ARG 41 1HH2 ARG 41 -4.117 -6.558 2.994 290 HH22 ARG 41 2HH2 ARG 41 -4.409 -5.607 4.410 291 H ASN 42 H ASN 42 3.601 -3.098 -0.507 292 HA ASN 42 HA ASN 42 3.757 -0.181 -0.731 293 HB2 ASN 42 2HB ASN 42 5.841 -2.324 -0.373 294 HB3 ASN 42 1HB ASN 42 6.269 -0.676 -0.809 295 HD21 ASN 42 1HD2 ASN 42 6.199 -2.677 1.669 296 HD22 ASN 42 2HD2 ASN 42 5.875 -1.587 2.967 297 H CYS 43 H CYS 43 5.456 -2.817 -2.414 298 HA CYS 43 HA CYS 43 5.651 -1.236 -4.782 299 HB2 CYS 43 2HB CYS 43 6.814 -3.156 -5.741 300 HB3 CYS 43 1HB CYS 43 7.427 -2.790 -4.134 301 HG CYS 43 HG CYS 43 6.955 -5.419 -4.622 302 H GLY 44 H GLY 44 3.402 -3.599 -3.630 303 HA2 GLY 44 2HA GLY 44 1.357 -4.209 -4.516 304 HA3 GLY 44 1HA GLY 44 1.649 -3.083 -5.831 305 H TYR 45 H TYR 45 4.048 -5.456 -5.198 306 HA TYR 45 HA TYR 45 3.349 -6.813 -7.697 307 HB2 TYR 45 2HB TYR 45 5.907 -6.914 -6.090 308 HB3 TYR 45 1HB TYR 45 5.640 -7.708 -7.635 309 HD1 TYR 45 2HD TYR 45 4.279 -5.632 -9.188 310 HD2 TYR 45 1HD TYR 45 7.539 -5.307 -6.476 311 HE1 TYR 45 2HE TYR 45 5.047 -3.613 -10.366 312 HE2 TYR 45 1HE TYR 45 8.318 -3.288 -7.644 313 HH TYR 45 HH TYR 45 6.509 -1.501 -9.633 314 H VAL 46 H VAL 46 3.678 -9.146 -7.791 315 HA VAL 46 HA VAL 46 2.272 -10.380 -5.615 316 HB VAL 46 HB VAL 46 3.410 -11.635 -8.115 317 HG11 VAL 46 1HG1 VAL 46 3.187 -13.306 -6.395 318 HG12 VAL 46 2HG1 VAL 46 1.885 -13.513 -7.569 319 HG13 VAL 46 3HG1 VAL 46 1.558 -12.750 -6.013 320 HG21 VAL 46 1HG2 VAL 46 0.813 -10.348 -7.441 321 HG22 VAL 46 2HG2 VAL 46 0.803 -11.741 -8.523 322 HG23 VAL 46 3HG2 VAL 46 1.737 -10.305 -8.941 323 H LEU 47 H LEU 47 3.066 -11.510 -3.970 324 HA LEU 47 HA LEU 47 5.835 -12.491 -4.112 325 HB2 LEU 47 2HB LEU 47 4.545 -10.998 -1.826 326 HB3 LEU 47 1HB LEU 47 6.029 -11.912 -1.667 327 HG LEU 47 HG LEU 47 6.367 -9.474 -1.871 328 HD11 LEU 47 1HD1 LEU 47 7.945 -9.757 -3.979 329 HD12 LEU 47 2HD1 LEU 47 7.566 -11.456 -3.707 330 HD13 LEU 47 3HD1 LEU 47 8.305 -10.501 -2.422 331 HD21 LEU 47 1HD2 LEU 47 5.905 -9.480 -4.763 332 HD22 LEU 47 2HD2 LEU 47 5.615 -8.219 -3.563 333 HD23 LEU 47 3HD2 LEU 47 4.450 -9.527 -3.770 334 H CYS 48 H CYS 48 6.168 -14.468 -3.175 335 HA CYS 48 HA CYS 48 3.827 -16.017 -2.509 336 HB2 CYS 48 2HB CYS 48 5.209 -17.906 -2.580 337 HB3 CYS 48 1HB CYS 48 5.971 -16.831 -3.747 338 HG CYS 48 HG CYS 48 7.766 -17.896 -2.138 339 H GLY 49 H GLY 49 4.309 -17.571 -0.399 340 HA2 GLY 49 2HA GLY 49 3.919 -15.916 1.803 341 HA3 GLY 49 1HA GLY 49 4.392 -17.606 1.896 342 H ASP 50 H ASP 50 6.854 -17.732 0.945 343 HA ASP 50 HA ASP 50 8.481 -16.844 3.010 344 HB2 ASP 50 2HB ASP 50 9.115 -17.766 0.217 345 HB3 ASP 50 1HB ASP 50 10.379 -17.327 1.357 346 H CYS 51 H CYS 51 7.778 -15.260 -0.036 347 HA CYS 51 HA CYS 51 9.733 -13.181 0.510 348 HB2 CYS 51 2HB CYS 51 8.066 -13.948 -1.821 349 HB3 CYS 51 1HB CYS 51 8.482 -12.244 -1.670 350 HG CYS 51 HG CYS 51 10.583 -14.515 -1.997 351 H SER 52 H SER 52 6.706 -13.823 1.582 352 HA SER 52 HA SER 52 6.163 -10.981 2.053 353 HB2 SER 52 2HB SER 52 3.820 -11.260 1.667 354 HB3 SER 52 1HB SER 52 4.637 -11.980 0.278 355 HG SER 52 HG SER 52 4.065 -13.942 0.932 356 H ARG 53 H ARG 53 7.466 -13.159 3.598 357 HA ARG 53 HA ARG 53 5.588 -13.805 5.694 358 HB2 ARG 53 2HB ARG 53 8.533 -14.350 5.339 359 HB3 ARG 53 1HB ARG 53 7.697 -14.712 6.845 360 HG2 ARG 53 2HG ARG 53 6.115 -16.126 5.490 361 HG3 ARG 53 1HG ARG 53 7.217 -15.903 4.133 362 HD2 ARG 53 2HD ARG 53 9.043 -16.841 5.514 363 HD3 ARG 53 1HD ARG 53 7.868 -17.163 6.789 364 HE ARG 53 HE ARG 53 8.322 -18.726 4.460 365 HH11 ARG 53 1HH1 ARG 53 5.818 -17.667 6.645 366 HH12 ARG 53 2HH1 ARG 53 4.796 -19.030 6.336 367 HH21 ARG 53 1HH2 ARG 53 6.979 -20.524 4.055 368 HH22 ARG 53 2HH2 ARG 53 5.458 -20.655 4.875 369 H HIS 54 H HIS 54 7.672 -11.179 4.966 370 HA HIS 54 HA HIS 54 8.047 -10.409 7.724 371 HB2 HIS 54 2HB HIS 54 8.755 -9.090 5.106 372 HB3 HIS 54 1HB HIS 54 9.019 -8.309 6.656 373 HD1 HIS 54 1HD HIS 54 10.523 -9.970 8.362 374 HD2 HIS 54 2HD HIS 54 10.935 -10.418 4.256 375 HE1 HIS 54 1HE HIS 54 12.736 -11.116 8.033 376 HE2 HIS 54 2HE HIS 54 12.997 -11.315 5.535 377 H ARG 55 H ARG 55 7.498 -8.140 8.351 378 HA ARG 55 HA ARG 55 5.064 -7.120 7.123 379 HB2 ARG 55 2HB ARG 55 5.078 -7.453 10.101 380 HB3 ARG 55 1HB ARG 55 3.715 -7.240 9.002 381 HG2 ARG 55 2HG ARG 55 4.170 -9.504 8.091 382 HG3 ARG 55 1HG ARG 55 5.389 -9.713 9.350 383 HD2 ARG 55 2HD ARG 55 3.602 -9.253 11.036 384 HD3 ARG 55 1HD ARG 55 2.431 -9.283 9.719 385 HE ARG 55 HE ARG 55 2.691 -11.578 9.551 386 HH11 ARG 55 1HH1 ARG 55 4.972 -10.251 11.828 387 HH12 ARG 55 2HH1 ARG 55 5.398 -11.792 12.493 388 HH21 ARG 55 1HH2 ARG 55 3.259 -13.610 10.416 389 HH22 ARG 55 2HH2 ARG 55 4.423 -13.699 11.695 390 H ALA 56 H ALA 56 4.816 -4.957 7.324 391 HA ALA 56 HA ALA 56 6.354 -3.400 9.214 392 HB1 ALA 56 1HB ALA 56 7.204 -2.118 6.956 393 HB2 ALA 56 2HB ALA 56 7.326 -3.815 6.491 394 HB3 ALA 56 3HB ALA 56 8.171 -3.230 7.923 395 H ALA 57 H ALA 57 5.813 -1.146 9.225 396 HA ALA 57 HA ALA 57 3.147 -0.650 8.164 397 HB1 ALA 57 1HB ALA 57 3.206 0.063 10.366 398 HB2 ALA 57 2HB ALA 57 3.560 1.561 9.506 399 HB3 ALA 57 3HB ALA 57 4.868 0.639 10.244 400 H ILE 58 H ILE 58 2.693 1.178 6.829 401 HA ILE 58 HA ILE 58 5.055 2.309 5.499 402 HB ILE 58 HB ILE 58 2.483 1.844 4.037 403 HG12 ILE 58 2HG1 ILE 58 4.720 -0.182 4.292 404 HG13 ILE 58 1HG1 ILE 58 3.161 -0.311 5.102 405 HG21 ILE 58 1HG2 ILE 58 4.267 3.256 3.071 406 HG22 ILE 58 2HG2 ILE 58 3.928 1.821 2.105 407 HG23 ILE 58 3HG2 ILE 58 5.359 1.875 3.133 408 HD11 ILE 58 1HD1 ILE 58 3.750 -1.458 2.741 409 HD12 ILE 58 2HD1 ILE 58 3.035 0.058 2.192 410 HD13 ILE 58 3HD1 ILE 58 2.120 -1.018 3.249 411 HA PRO 59 HA PRO 59 2.482 5.713 7.252 412 HB2 PRO 59 2HB PRO 59 4.608 7.313 7.834 413 HB3 PRO 59 1HB PRO 59 3.983 6.072 8.922 414 HG2 PRO 59 2HG PRO 59 6.322 5.951 7.061 415 HG3 PRO 59 1HG PRO 59 6.178 5.348 8.722 416 HD2 PRO 59 2HD PRO 59 5.981 3.725 6.569 417 HD3 PRO 59 1HD PRO 59 5.070 3.434 8.065 418 H MET 60 H MET 60 4.615 5.510 4.538 419 HA MET 60 HA MET 60 4.115 8.255 3.716 420 HB2 MET 60 2HB MET 60 5.509 5.933 2.366 421 HB3 MET 60 1HB MET 60 5.354 7.537 1.662 422 HG2 MET 60 2HG MET 60 6.579 8.450 3.619 423 HG3 MET 60 1HG MET 60 6.836 6.796 4.173 424 HE1 MET 60 1HE MET 60 7.414 5.407 1.025 425 HE2 MET 60 2HE MET 60 7.816 4.985 2.690 426 HE3 MET 60 3HE MET 60 9.102 5.248 1.512 427 H ARG 61 H ARG 61 3.137 4.987 3.011 428 HA ARG 61 HA ARG 61 1.368 5.738 0.849 429 HB2 ARG 61 2HB ARG 61 1.588 3.092 2.284 430 HB3 ARG 61 1HB ARG 61 0.840 3.387 0.719 431 HG2 ARG 61 2HG ARG 61 3.765 3.722 1.351 432 HG3 ARG 61 1HG ARG 61 3.044 2.355 0.500 433 HD2 ARG 61 2HD ARG 61 2.872 5.212 -0.433 434 HD3 ARG 61 1HD ARG 61 4.105 4.071 -0.971 435 HE ARG 61 HE ARG 61 1.618 2.890 -1.393 436 HH11 ARG 61 1HH1 ARG 61 3.452 5.621 -2.537 437 HH12 ARG 61 2HH1 ARG 61 2.717 5.623 -4.105 438 HH21 ARG 61 1HH2 ARG 61 0.646 2.877 -3.454 439 HH22 ARG 61 2HH2 ARG 61 1.125 4.055 -4.630 440 H GLY 62 H GLY 62 1.174 6.139 4.059 441 HA2 GLY 62 2HA GLY 62 -0.731 7.013 5.165 442 HA3 GLY 62 1HA GLY 62 -1.753 6.197 3.992 443 H ILE 63 H ILE 63 0.665 4.139 5.090 444 HA ILE 63 HA ILE 63 -1.251 2.760 6.820 445 HB ILE 63 HB ILE 63 1.349 1.794 5.614 446 HG12 ILE 63 2HG1 ILE 63 -1.478 1.094 4.813 447 HG13 ILE 63 1HG1 ILE 63 -0.508 2.317 4.000 448 HG21 ILE 63 1HG2 ILE 63 -0.799 0.313 7.122 449 HG22 ILE 63 2HG2 ILE 63 0.875 0.563 7.619 450 HG23 ILE 63 3HG2 ILE 63 0.513 -0.460 6.227 451 HD11 ILE 63 1HD1 ILE 63 -0.646 -0.112 3.069 452 HD12 ILE 63 2HD1 ILE 63 0.583 -0.435 4.293 453 HD13 ILE 63 3HD1 ILE 63 0.880 0.773 3.041 454 H THR 64 H THR 64 -1.074 3.610 8.838 455 HA THR 64 HA THR 64 1.537 4.241 9.942 456 HB THR 64 HB THR 64 0.238 5.064 11.898 457 HG1 THR 64 1HG THR 64 -2.107 4.752 10.407 458 HG21 THR 64 1HG2 THR 64 0.551 6.310 9.528 459 HG22 THR 64 2HG2 THR 64 -0.200 7.041 10.947 460 HG23 THR 64 3HG2 THR 64 -1.206 6.332 9.683 461 H GLU 65 H GLU 65 -0.631 1.609 9.961 462 HA GLU 65 HA GLU 65 0.605 0.497 12.385 463 HB2 GLU 65 2HB GLU 65 -1.929 -0.121 10.886 464 HB3 GLU 65 1HB GLU 65 -1.219 -1.310 11.969 465 HG2 GLU 65 2HG GLU 65 -1.985 -0.268 13.774 466 HG3 GLU 65 1HG GLU 65 -1.425 1.303 13.202 467 HA PRO 66 HA PRO 66 3.264 -2.008 9.950 468 HB2 PRO 66 2HB PRO 66 2.704 -4.194 11.895 469 HB3 PRO 66 1HB PRO 66 4.252 -3.503 11.402 470 HG2 PRO 66 2HG PRO 66 3.183 -2.943 13.792 471 HG3 PRO 66 1HG PRO 66 4.078 -1.720 12.870 472 HD2 PRO 66 2HD PRO 66 1.132 -2.023 13.258 473 HD3 PRO 66 1HD PRO 66 2.109 -0.547 13.127 474 H GLU 67 H GLU 67 2.711 -2.877 8.097 475 HA GLU 67 HA GLU 67 0.533 -4.858 8.017 476 HB2 GLU 67 2HB GLU 67 1.216 -2.767 5.942 477 HB3 GLU 67 1HB GLU 67 -0.014 -4.005 5.755 478 HG2 GLU 67 2HG GLU 67 -0.017 -1.815 7.812 479 HG3 GLU 67 1HG GLU 67 -0.990 -1.863 6.345 480 H ARG 68 H ARG 68 0.657 -6.271 6.040 481 HA ARG 68 HA ARG 68 3.219 -7.497 5.954 482 HB2 ARG 68 2HB ARG 68 0.794 -8.011 4.232 483 HB3 ARG 68 1HB ARG 68 2.198 -9.058 4.386 484 HG2 ARG 68 2HG ARG 68 1.697 -9.291 6.804 485 HG3 ARG 68 1HG ARG 68 0.211 -8.379 6.535 486 HD2 ARG 68 2HD ARG 68 0.959 -11.023 5.293 487 HD3 ARG 68 1HD ARG 68 -0.269 -10.748 6.526 488 HE ARG 68 HE ARG 68 -1.679 -9.852 4.905 489 HH11 ARG 68 1HH1 ARG 68 1.437 -10.641 3.549 490 HH12 ARG 68 2HH1 ARG 68 0.887 -10.550 1.911 491 HH21 ARG 68 1HH2 ARG 68 -2.405 -9.729 2.753 492 HH22 ARG 68 2HH2 ARG 68 -1.294 -10.025 1.457 493 H VAL 69 H VAL 69 4.746 -7.524 4.443 494 HA VAL 69 HA VAL 69 4.404 -6.157 1.885 495 HB VAL 69 HB VAL 69 6.481 -4.871 2.160 496 HG11 VAL 69 1HG1 VAL 69 4.553 -3.591 2.452 497 HG12 VAL 69 2HG1 VAL 69 5.533 -3.218 3.872 498 HG13 VAL 69 3HG1 VAL 69 4.180 -4.340 4.007 499 HG21 VAL 69 1HG2 VAL 69 6.413 -6.119 4.872 500 HG22 VAL 69 2HG2 VAL 69 7.121 -4.515 4.674 501 HG23 VAL 69 3HG2 VAL 69 7.775 -5.885 3.773 502 H CYS 70 H CYS 70 6.753 -6.266 0.794 503 HA CYS 70 HA CYS 70 7.516 -9.083 0.922 504 HB2 CYS 70 2HB CYS 70 8.220 -8.935 -1.279 505 HB3 CYS 70 1HB CYS 70 6.897 -7.779 -1.264 506 HG CYS 70 HG CYS 70 9.561 -7.112 -2.174 507 H ASP 71 H ASP 71 10.118 -8.851 -0.134 508 HA ASP 71 HA ASP 71 11.484 -8.076 2.293 509 HB2 ASP 71 2HB ASP 71 12.568 -9.243 -0.281 510 HB3 ASP 71 1HB ASP 71 13.499 -9.009 1.195 511 H ALA 72 H ALA 72 11.520 -6.941 -1.076 512 HA ALA 72 HA ALA 72 13.562 -5.020 -0.667 513 HB1 ALA 72 1HB ALA 72 13.135 -4.286 -2.828 514 HB2 ALA 72 2HB ALA 72 11.422 -4.698 -2.734 515 HB3 ALA 72 3HB ALA 72 12.630 -5.975 -2.873 516 H CYS 73 H CYS 73 10.027 -4.744 -0.644 517 HA CYS 73 HA CYS 73 9.927 -1.970 -0.175 518 HB2 CYS 73 2HB CYS 73 7.882 -4.040 0.662 519 HB3 CYS 73 1HB CYS 73 7.605 -2.318 0.406 520 HG CYS 73 HG CYS 73 8.286 -2.904 -2.189 521 H TYR 74 H TYR 74 10.035 -4.757 1.990 522 HA TYR 74 HA TYR 74 9.607 -3.402 4.399 523 HB2 TYR 74 2HB TYR 74 9.675 -5.864 4.234 524 HB3 TYR 74 1HB TYR 74 11.400 -5.792 3.888 525 HD1 TYR 74 2HD TYR 74 8.844 -5.190 6.493 526 HD2 TYR 74 1HD TYR 74 12.993 -5.579 5.632 527 HE1 TYR 74 2HE TYR 74 9.327 -5.289 8.901 528 HE2 TYR 74 1HE TYR 74 13.488 -5.680 8.039 529 HH TYR 74 HH TYR 74 10.932 -5.277 10.459 530 H LEU 75 H LEU 75 12.494 -3.886 2.455 531 HA LEU 75 HA LEU 75 14.299 -2.645 4.280 532 HB2 LEU 75 2HB LEU 75 14.405 -3.597 1.469 533 HB3 LEU 75 1HB LEU 75 15.636 -2.469 1.998 534 HG LEU 75 HG LEU 75 15.071 -4.981 3.544 535 HD11 LEU 75 1HD1 LEU 75 15.750 -5.121 0.931 536 HD12 LEU 75 2HD1 LEU 75 16.238 -6.302 2.146 537 HD13 LEU 75 3HD1 LEU 75 17.344 -5.009 1.680 538 HD21 LEU 75 1HD2 LEU 75 17.791 -4.256 3.518 539 HD22 LEU 75 2HD2 LEU 75 16.649 -4.139 4.857 540 HD23 LEU 75 3HD2 LEU 75 16.874 -2.770 3.769 541 H ALA 76 H ALA 76 12.878 -1.514 1.199 542 HA ALA 76 HA ALA 76 14.056 0.957 1.088 543 HB1 ALA 76 1HB ALA 76 11.176 0.810 0.343 544 HB2 ALA 76 2HB ALA 76 12.316 -0.239 -0.500 545 HB3 ALA 76 3HB ALA 76 12.538 1.509 -0.537 546 H LEU 77 H LEU 77 11.010 0.151 2.740 547 HA LEU 77 HA LEU 77 10.621 2.753 3.805 548 HB2 LEU 77 2HB LEU 77 9.667 0.079 4.842 549 HB3 LEU 77 1HB LEU 77 9.079 1.635 5.386 550 HG LEU 77 HG LEU 77 8.838 0.697 2.532 551 HD11 LEU 77 1HD1 LEU 77 6.445 0.265 3.148 552 HD12 LEU 77 2HD1 LEU 77 6.935 0.374 4.838 553 HD13 LEU 77 3HD1 LEU 77 7.615 -0.882 3.802 554 HD21 LEU 77 1HD2 LEU 77 7.459 2.889 4.084 555 HD22 LEU 77 2HD2 LEU 77 7.086 2.426 2.423 556 HD23 LEU 77 3HD2 LEU 77 8.667 3.104 2.817 557 H ARG 78 H ARG 78 12.158 -0.170 4.922 558 HA ARG 78 HA ARG 78 12.871 0.500 7.510 559 HB2 ARG 78 2HB ARG 78 13.053 -1.741 6.627 560 HB3 ARG 78 1HB ARG 78 14.265 -1.228 5.467 561 HG2 ARG 78 2HG ARG 78 15.726 -0.642 7.432 562 HG3 ARG 78 1HG ARG 78 14.539 -1.477 8.437 563 HD2 ARG 78 2HD ARG 78 14.843 -3.504 7.062 564 HD3 ARG 78 1HD ARG 78 16.087 -2.663 6.140 565 HE ARG 78 HE ARG 78 16.989 -2.453 8.667 566 HH11 ARG 78 1HH1 ARG 78 15.851 -5.153 6.784 567 HH12 ARG 78 2HH1 ARG 78 16.870 -6.306 7.580 568 HH21 ARG 78 1HH2 ARG 78 18.332 -3.958 9.724 569 HH22 ARG 78 2HH2 ARG 78 18.283 -5.625 9.254 570 H SER 79 H SER 79 14.150 1.707 4.520 571 HA SER 79 HA SER 79 16.532 2.724 5.906 572 HB2 SER 79 2HB SER 79 17.503 3.092 3.724 573 HB3 SER 79 1HB SER 79 16.854 1.452 3.776 574 HG SER 79 HG SER 79 16.263 2.500 1.851 575 H SER 80 H SER 80 17.159 4.934 5.626 576 HA SER 80 HA SER 80 14.987 6.748 4.835 577 HB2 SER 80 2HB SER 80 15.331 8.135 6.768 578 HB3 SER 80 1HB SER 80 15.109 6.481 7.338 579 HG SER 80 HG SER 80 17.525 6.422 7.247 580 H ASN 81 H ASN 81 15.685 8.875 4.202 581 HA ASN 81 HA ASN 81 18.336 8.818 2.982 582 HB2 ASN 81 2HB ASN 81 16.008 10.716 2.616 583 HB3 ASN 81 1HB ASN 81 17.536 10.831 1.750 584 HD21 ASN 81 1HD2 ASN 81 15.089 10.568 0.471 585 HD22 ASN 81 2HD2 ASN 81 15.037 9.037 -0.324 586 H MET 82 H MET 82 19.952 10.263 3.419 587 HA MET 82 HA MET 82 20.114 11.378 5.980 588 HB2 MET 82 2HB MET 82 21.714 11.984 3.489 589 HB3 MET 82 1HB MET 82 22.130 12.568 5.094 590 HG2 MET 82 2HG MET 82 22.284 10.208 5.848 591 HG3 MET 82 1HG MET 82 22.025 9.707 4.178 592 HE1 MET 82 1HE MET 82 24.968 10.701 2.240 593 HE2 MET 82 2HE MET 82 24.268 12.247 2.719 594 HE3 MET 82 3HE MET 82 23.216 10.887 2.325 595 H ALA 83 H ALA 83 19.093 12.731 2.914 596 HA ALA 83 HA ALA 83 19.118 15.452 3.614 597 HB1 ALA 83 1HB ALA 83 18.426 13.948 1.371 598 HB2 ALA 83 2HB ALA 83 18.441 15.706 1.508 599 HB3 ALA 83 3HB ALA 83 16.954 14.811 1.817 600 H GLY 84 H GLY 84 16.939 12.876 4.409 601 HA2 GLY 84 2HA GLY 84 14.806 14.665 5.230 602 HA3 GLY 84 1HA GLY 84 14.809 12.912 5.367 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -10.364 15.121 -7.530 2 H2 GLY 1 2HT GLY 1 -11.604 16.140 -8.067 3 H3 GLY 1 3HT GLY 1 -11.013 14.921 -9.080 4 HA2 GLY 1 1HA GLY 1 -12.988 14.784 -6.993 5 HA3 GLY 1 2HA GLY 1 -12.741 13.725 -8.372 6 HA PRO 2 HA PRO 2 -9.606 12.133 -4.989 7 HB2 PRO 2 2HB PRO 2 -10.085 13.170 -2.480 8 HB3 PRO 2 1HB PRO 2 -8.836 13.760 -3.581 9 HG2 PRO 2 2HG PRO 2 -11.578 14.842 -3.068 10 HG3 PRO 2 1HG PRO 2 -10.050 15.717 -3.288 11 HD2 PRO 2 2HD PRO 2 -11.849 15.533 -5.266 12 HD3 PRO 2 1HD PRO 2 -10.105 15.484 -5.596 13 H LEU 3 H LEU 3 -10.039 10.262 -3.872 14 HA LEU 3 HA LEU 3 -12.837 9.586 -3.536 15 HB2 LEU 3 2HB LEU 3 -10.386 7.887 -3.070 16 HB3 LEU 3 1HB LEU 3 -12.043 7.317 -3.153 17 HG LEU 3 HG LEU 3 -10.376 8.431 -5.403 18 HD11 LEU 3 1HD1 LEU 3 -11.421 6.058 -6.218 19 HD12 LEU 3 2HD1 LEU 3 -11.166 5.760 -4.499 20 HD13 LEU 3 3HD1 LEU 3 -9.817 6.267 -5.516 21 HD21 LEU 3 1HD2 LEU 3 -12.409 7.953 -6.801 22 HD22 LEU 3 2HD2 LEU 3 -12.546 9.344 -5.725 23 HD23 LEU 3 3HD2 LEU 3 -13.323 7.819 -5.298 24 H GLY 4 H GLY 4 -13.866 9.111 -1.633 25 HA2 GLY 4 2HA GLY 4 -12.818 10.324 0.735 26 HA3 GLY 4 1HA GLY 4 -14.335 9.445 0.598 27 H SER 5 H SER 5 -12.135 9.414 2.638 28 HA SER 5 HA SER 5 -10.887 6.844 2.441 29 HB2 SER 5 2HB SER 5 -9.972 7.296 4.603 30 HB3 SER 5 1HB SER 5 -9.970 8.824 3.724 31 HG SER 5 HG SER 5 -10.862 9.366 5.613 32 H MET 6 H MET 6 -14.017 7.752 3.109 33 HA MET 6 HA MET 6 -14.786 6.195 5.272 34 HB2 MET 6 2HB MET 6 -16.332 6.850 2.758 35 HB3 MET 6 1HB MET 6 -17.043 6.170 4.215 36 HG2 MET 6 2HG MET 6 -16.212 8.186 5.449 37 HG3 MET 6 1HG MET 6 -15.767 8.869 3.887 38 HE1 MET 6 1HE MET 6 -19.225 6.857 4.996 39 HE2 MET 6 2HE MET 6 -19.917 8.331 5.675 40 HE3 MET 6 3HE MET 6 -18.379 7.718 6.282 41 H GLY 7 H GLY 7 -14.201 5.285 1.927 42 HA2 GLY 7 2HA GLY 7 -14.777 2.480 2.664 43 HA3 GLY 7 1HA GLY 7 -14.957 3.124 1.039 44 H GLU 8 H GLU 8 -12.795 1.779 3.358 45 HA GLU 8 HA GLU 8 -10.472 2.272 1.666 46 HB2 GLU 8 2HB GLU 8 -10.716 0.949 4.372 47 HB3 GLU 8 1HB GLU 8 -9.200 1.182 3.509 48 HG2 GLU 8 2HG GLU 8 -9.580 3.614 3.557 49 HG3 GLU 8 1HG GLU 8 -11.046 3.344 4.496 50 H LYS 9 H LYS 9 -12.866 0.258 1.321 51 HA LYS 9 HA LYS 9 -11.780 -2.328 1.258 52 HB2 LYS 9 2HB LYS 9 -14.203 -1.781 0.999 53 HB3 LYS 9 1HB LYS 9 -13.858 -1.154 -0.607 54 HG2 LYS 9 2HG LYS 9 -13.079 -3.390 -1.284 55 HG3 LYS 9 1HG LYS 9 -13.510 -4.000 0.314 56 HD2 LYS 9 2HD LYS 9 -15.850 -3.232 -0.109 57 HD3 LYS 9 1HD LYS 9 -15.366 -2.839 -1.760 58 HE2 LYS 9 2HE LYS 9 -14.529 -5.500 -1.130 59 HE3 LYS 9 1HE LYS 9 -16.239 -5.321 -0.740 60 HZ1 LYS 9 1HZ LYS 9 -16.577 -4.432 -2.996 61 HZ2 LYS 9 2HZ LYS 9 -16.001 -6.024 -3.007 62 HZ3 LYS 9 3HZ LYS 9 -14.954 -4.745 -3.354 63 H GLN 10 H GLN 10 -11.212 0.452 -0.599 64 HA GLN 10 HA GLN 10 -10.420 -0.586 -3.074 65 HB2 GLN 10 2HB GLN 10 -10.824 1.782 -2.701 66 HB3 GLN 10 1HB GLN 10 -9.491 1.861 -1.559 67 HG2 GLN 10 2HG GLN 10 -7.914 1.385 -3.358 68 HG3 GLN 10 1HG GLN 10 -9.251 1.278 -4.505 69 HE21 GLN 10 1HE2 GLN 10 -7.294 3.015 -5.071 70 HE22 GLN 10 2HE2 GLN 10 -7.814 4.643 -4.819 71 H SER 11 H SER 11 -8.540 -1.433 -3.829 72 HA SER 11 HA SER 11 -6.670 -2.483 -1.918 73 HB2 SER 11 2HB SER 11 -5.678 -3.642 -3.762 74 HB3 SER 11 1HB SER 11 -7.420 -3.669 -4.033 75 HG SER 11 HG SER 11 -7.203 -2.129 -5.589 76 H LYS 12 H LYS 12 -4.327 -2.182 -2.094 77 HA LYS 12 HA LYS 12 -3.681 0.598 -2.819 78 HB2 LYS 12 2HB LYS 12 -2.395 -1.230 -0.784 79 HB3 LYS 12 1HB LYS 12 -1.805 0.375 -1.194 80 HG2 LYS 12 2HG LYS 12 -3.975 1.312 -0.458 81 HG3 LYS 12 1HG LYS 12 -4.452 -0.305 0.065 82 HD2 LYS 12 2HD LYS 12 -2.481 -0.353 1.565 83 HD3 LYS 12 1HD LYS 12 -2.121 1.310 1.093 84 HE2 LYS 12 2HE LYS 12 -4.791 0.542 2.226 85 HE3 LYS 12 1HE LYS 12 -3.424 0.925 3.272 86 HZ1 LYS 12 1HZ LYS 12 -3.846 3.065 2.988 87 HZ2 LYS 12 2HZ LYS 12 -5.170 2.696 2.003 88 HZ3 LYS 12 3HZ LYS 12 -3.640 2.920 1.314 89 H GLY 13 H GLY 13 -2.169 1.002 -4.313 90 HA2 GLY 13 2HA GLY 13 -0.383 0.676 -5.737 91 HA3 GLY 13 1HA GLY 13 -0.034 -0.823 -4.888 92 H TYR 14 H TYR 14 0.324 -0.792 -7.550 93 HA TYR 14 HA TYR 14 -2.032 -1.688 -8.944 94 HB2 TYR 14 2HB TYR 14 -0.234 -0.458 -10.097 95 HB3 TYR 14 1HB TYR 14 0.871 -1.791 -9.784 96 HD1 TYR 14 1HD TYR 14 -2.099 -0.732 -11.686 97 HD2 TYR 14 2HD TYR 14 0.811 -3.782 -11.113 98 HE1 TYR 14 1HE TYR 14 -2.808 -1.794 -13.787 99 HE2 TYR 14 2HE TYR 14 0.111 -4.853 -13.212 100 HH TYR 14 HH TYR 14 -2.743 -4.010 -14.846 101 H TRP 15 H TRP 15 -2.800 -3.691 -8.897 102 HA TRP 15 HA TRP 15 -1.241 -5.825 -7.682 103 HB2 TRP 15 2HB TRP 15 -3.337 -7.131 -7.837 104 HB3 TRP 15 1HB TRP 15 -3.569 -5.588 -7.018 105 HD1 TRP 15 HD TRP 15 -4.841 -3.639 -8.453 106 HE1 TRP 15 1HE TRP 15 -6.617 -3.838 -10.305 107 HE3 TRP 15 3HE TRP 15 -4.130 -8.539 -9.744 108 HZ2 TRP 15 2HZ TRP 15 -7.589 -5.806 -12.073 109 HZ3 TRP 15 3HZ TRP 15 -5.528 -9.502 -11.526 110 HH2 TRP 15 HH TRP 15 -7.221 -8.161 -12.665 111 H GLN 16 H GLN 16 0.028 -7.112 -8.843 112 HA GLN 16 HA GLN 16 -0.301 -7.326 -11.727 113 HB2 GLN 16 2HB GLN 16 1.965 -7.099 -10.638 114 HB3 GLN 16 1HB GLN 16 1.729 -8.700 -9.949 115 HG2 GLN 16 2HG GLN 16 1.567 -9.642 -12.202 116 HG3 GLN 16 1HG GLN 16 1.823 -8.037 -12.884 117 HE21 GLN 16 1HE2 GLN 16 3.492 -9.904 -13.705 118 HE22 GLN 16 2HE2 GLN 16 5.052 -9.740 -12.981 119 H GLU 17 H GLU 17 -1.184 -8.931 -12.777 120 HA GLU 17 HA GLU 17 -2.830 -10.771 -11.478 121 HB2 GLU 17 2HB GLU 17 -1.865 -10.731 -14.335 122 HB3 GLU 17 1HB GLU 17 -3.171 -11.745 -13.736 123 HG2 GLU 17 2HG GLU 17 -4.409 -9.720 -13.087 124 HG3 GLU 17 1HG GLU 17 -3.116 -8.737 -13.773 125 H ASP 18 H ASP 18 -2.841 -13.046 -11.501 126 HA ASP 18 HA ASP 18 -0.539 -14.353 -10.584 127 HB2 ASP 18 2HB ASP 18 -3.018 -15.497 -11.877 128 HB3 ASP 18 1HB ASP 18 -1.815 -16.431 -10.996 129 H GLU 19 H GLU 19 -2.020 -14.291 -13.803 130 HA GLU 19 HA GLU 19 -0.224 -16.113 -14.990 131 HB2 GLU 19 2HB GLU 19 -1.981 -13.991 -16.218 132 HB3 GLU 19 1HB GLU 19 -1.097 -15.192 -17.145 133 HG2 GLU 19 2HG GLU 19 -2.343 -16.968 -15.981 134 HG3 GLU 19 1HG GLU 19 -3.263 -15.730 -15.127 135 H ASP 20 H ASP 20 -0.241 -12.564 -14.881 136 HA ASP 20 HA ASP 20 2.018 -12.271 -16.575 137 HB2 ASP 20 2HB ASP 20 0.821 -10.384 -14.532 138 HB3 ASP 20 1HB ASP 20 2.085 -9.938 -15.676 139 H ALA 21 H ALA 21 1.544 -12.715 -13.173 140 HA ALA 21 HA ALA 21 4.462 -12.636 -12.736 141 HB1 ALA 21 1HB ALA 21 4.152 -11.606 -10.765 142 HB2 ALA 21 2HB ALA 21 2.760 -12.607 -10.350 143 HB3 ALA 21 3HB ALA 21 2.558 -11.206 -11.402 144 HA PRO 22 HA PRO 22 3.134 -17.052 -12.238 145 HB2 PRO 22 2HB PRO 22 4.973 -18.141 -13.860 146 HB3 PRO 22 1HB PRO 22 3.488 -17.423 -14.492 147 HG2 PRO 22 2HG PRO 22 6.238 -16.249 -14.348 148 HG3 PRO 22 1HG PRO 22 5.081 -16.219 -15.691 149 HD2 PRO 22 2HD PRO 22 5.429 -14.133 -13.966 150 HD3 PRO 22 1HD PRO 22 3.895 -14.467 -14.792 151 H ALA 23 H ALA 23 5.907 -15.194 -11.709 152 HA ALA 23 HA ALA 23 6.931 -17.160 -9.783 153 HB1 ALA 23 1HB ALA 23 8.793 -17.457 -10.968 154 HB2 ALA 23 2HB ALA 23 9.171 -15.753 -10.717 155 HB3 ALA 23 3HB ALA 23 8.282 -16.256 -12.154 156 H CYS 24 H CYS 24 8.120 -16.195 -8.001 157 HA CYS 24 HA CYS 24 6.924 -13.841 -7.048 158 HB2 CYS 24 2HB CYS 24 7.923 -15.705 -5.668 159 HB3 CYS 24 1HB CYS 24 9.508 -15.034 -6.043 160 HG CYS 24 HG CYS 24 7.662 -12.996 -4.759 161 H ASN 25 H ASN 25 7.379 -11.792 -7.319 162 HA ASN 25 HA ASN 25 9.310 -10.856 -9.122 163 HB2 ASN 25 2HB ASN 25 7.763 -9.405 -6.965 164 HB3 ASN 25 1HB ASN 25 8.727 -8.600 -8.202 165 HD21 ASN 25 1HD2 ASN 25 8.187 -9.480 -10.490 166 HD22 ASN 25 2HD2 ASN 25 6.502 -9.550 -10.862 167 H GLY 26 H GLY 26 9.467 -11.518 -5.711 168 HA2 GLY 26 2HA GLY 26 11.894 -9.965 -5.358 169 HA3 GLY 26 1HA GLY 26 11.050 -10.877 -4.123 170 H CYS 27 H CYS 27 11.065 -13.426 -4.888 171 HA CYS 27 HA CYS 27 13.935 -13.992 -5.056 172 HB2 CYS 27 2HB CYS 27 13.448 -16.106 -3.973 173 HB3 CYS 27 1HB CYS 27 12.736 -14.787 -3.051 174 HG CYS 27 HG CYS 27 10.396 -15.504 -3.957 175 H GLY 28 H GLY 28 11.321 -14.030 -7.127 176 HA2 GLY 28 2HA GLY 28 11.142 -14.876 -9.247 177 HA3 GLY 28 1HA GLY 28 12.774 -15.494 -9.077 178 H CYS 29 H CYS 29 10.802 -16.615 -6.571 179 HA CYS 29 HA CYS 29 10.927 -19.288 -7.549 180 HB2 CYS 29 2HB CYS 29 9.940 -19.951 -5.518 181 HB3 CYS 29 1HB CYS 29 10.899 -18.536 -5.097 182 HG CYS 29 HG CYS 29 7.957 -18.808 -4.676 183 H VAL 30 H VAL 30 9.320 -20.600 -8.352 184 HA VAL 30 HA VAL 30 7.228 -19.220 -9.765 185 HB VAL 30 HB VAL 30 7.214 -22.174 -9.699 186 HG11 VAL 30 1HG1 VAL 30 5.781 -21.514 -11.305 187 HG12 VAL 30 2HG1 VAL 30 7.246 -21.461 -12.286 188 HG13 VAL 30 3HG1 VAL 30 6.610 -19.980 -11.570 189 HG21 VAL 30 1HG2 VAL 30 9.117 -21.855 -11.561 190 HG22 VAL 30 2HG2 VAL 30 9.472 -22.243 -9.878 191 HG23 VAL 30 3HG2 VAL 30 9.588 -20.576 -10.442 192 H PHE 31 H PHE 31 5.089 -19.247 -9.424 193 HA PHE 31 HA PHE 31 4.151 -20.110 -6.827 194 HB2 PHE 31 2HB PHE 31 2.791 -18.638 -9.092 195 HB3 PHE 31 1HB PHE 31 1.993 -19.050 -7.576 196 HD1 PHE 31 2HD PHE 31 2.798 -18.058 -5.455 197 HD2 PHE 31 1HD PHE 31 4.263 -16.796 -9.243 198 HE1 PHE 31 2HE PHE 31 3.677 -16.006 -4.424 199 HE2 PHE 31 1HE PHE 31 5.147 -14.740 -8.219 200 HZ PHE 31 HZ PHE 31 4.855 -14.345 -5.808 201 H THR 32 H THR 32 2.936 -21.792 -6.397 202 HA THR 32 HA THR 32 1.890 -23.409 -8.623 203 HB THR 32 HB THR 32 2.557 -25.432 -7.539 204 HG1 THR 32 1HG THR 32 3.734 -24.009 -5.420 205 HG21 THR 32 1HG2 THR 32 4.399 -23.776 -8.569 206 HG22 THR 32 2HG2 THR 32 4.761 -25.387 -7.949 207 HG23 THR 32 3HG2 THR 32 5.033 -23.970 -6.935 208 H THR 33 H THR 33 0.257 -25.053 -7.815 209 HA THR 33 HA THR 33 -2.006 -23.844 -6.851 210 HB THR 33 HB THR 33 -1.268 -26.739 -6.399 211 HG1 THR 33 1HG THR 33 -1.786 -25.332 -8.686 212 HG21 THR 33 1HG2 THR 33 -3.802 -26.926 -6.953 213 HG22 THR 33 2HG2 THR 33 -3.847 -25.257 -6.380 214 HG23 THR 33 3HG2 THR 33 -3.273 -26.541 -5.315 215 H THR 34 H THR 34 0.523 -25.445 -4.937 216 HA THR 34 HA THR 34 -0.931 -25.153 -2.500 217 HB THR 34 HB THR 34 1.123 -25.887 -1.390 218 HG1 THR 34 1HG THR 34 2.252 -24.968 -3.699 219 HG21 THR 34 1HG2 THR 34 0.341 -27.364 -3.864 220 HG22 THR 34 2HG2 THR 34 0.024 -27.762 -2.175 221 HG23 THR 34 3HG2 THR 34 1.650 -27.943 -2.835 222 H VAL 35 H VAL 35 1.229 -23.061 -4.289 223 HA VAL 35 HA VAL 35 1.475 -21.304 -1.957 224 HB VAL 35 HB VAL 35 2.758 -21.111 -4.678 225 HG11 VAL 35 1HG1 VAL 35 4.084 -19.286 -3.691 226 HG12 VAL 35 2HG1 VAL 35 3.082 -19.370 -2.242 227 HG13 VAL 35 3HG1 VAL 35 2.366 -18.901 -3.784 228 HG21 VAL 35 1HG2 VAL 35 4.713 -21.286 -2.720 229 HG22 VAL 35 2HG2 VAL 35 4.219 -22.566 -3.830 230 HG23 VAL 35 3HG2 VAL 35 3.493 -22.460 -2.227 231 H ARG 36 H ARG 36 -0.083 -19.942 -1.655 232 HA ARG 36 HA ARG 36 -1.874 -19.068 -3.728 233 HB2 ARG 36 2HB ARG 36 -1.585 -18.242 -0.836 234 HB3 ARG 36 1HB ARG 36 -2.860 -17.673 -1.906 235 HG2 ARG 36 2HG ARG 36 -3.620 -19.993 -2.200 236 HG3 ARG 36 1HG ARG 36 -2.374 -20.526 -1.069 237 HD2 ARG 36 2HD ARG 36 -3.398 -19.025 0.643 238 HD3 ARG 36 1HD ARG 36 -4.707 -18.704 -0.494 239 HE ARG 36 HE ARG 36 -5.625 -20.695 0.116 240 HH11 ARG 36 1HH1 ARG 36 -2.221 -20.790 0.842 241 HH12 ARG 36 2HH1 ARG 36 -2.287 -22.359 1.571 242 HH21 ARG 36 1HH2 ARG 36 -5.724 -22.762 1.078 243 HH22 ARG 36 2HH2 ARG 36 -4.279 -23.479 1.707 244 H ARG 37 H ARG 37 -2.169 -16.976 -4.504 245 HA ARG 37 HA ARG 37 0.282 -15.481 -4.780 246 HB2 ARG 37 2HB ARG 37 -1.223 -15.733 -6.702 247 HB3 ARG 37 1HB ARG 37 -2.491 -14.882 -5.829 248 HG2 ARG 37 2HG ARG 37 -1.124 -12.866 -5.779 249 HG3 ARG 37 1HG ARG 37 0.168 -13.719 -6.622 250 HD2 ARG 37 2HD ARG 37 -1.136 -12.318 -8.141 251 HD3 ARG 37 1HD ARG 37 -1.261 -14.024 -8.558 252 HE ARG 37 HE ARG 37 -3.440 -13.813 -7.146 253 HH11 ARG 37 1HH1 ARG 37 -2.142 -11.444 -9.357 254 HH12 ARG 37 2HH1 ARG 37 -3.693 -10.791 -9.759 255 HH21 ARG 37 1HH2 ARG 37 -5.477 -12.958 -7.681 256 HH22 ARG 37 2HH2 ARG 37 -5.587 -11.648 -8.809 257 H HIS 38 H HIS 38 0.763 -13.492 -3.974 258 HA HIS 38 HA HIS 38 -1.206 -12.167 -2.272 259 HB2 HIS 38 2HB HIS 38 1.594 -12.881 -1.377 260 HB3 HIS 38 1HB HIS 38 0.460 -11.885 -0.472 261 HD1 HIS 38 1HD HIS 38 -1.901 -13.238 0.093 262 HD2 HIS 38 2HD HIS 38 1.503 -15.489 -0.690 263 HE1 HIS 38 1HE HIS 38 -2.364 -15.514 1.057 264 HE2 HIS 38 2HE HIS 38 -0.323 -16.882 0.501 265 H HIS 39 H HIS 39 -0.621 -9.945 -1.743 266 HA HIS 39 HA HIS 39 1.285 -8.788 -3.677 267 HB2 HIS 39 2HB HIS 39 -1.375 -7.605 -2.856 268 HB3 HIS 39 1HB HIS 39 -0.230 -6.898 -3.990 269 HD1 HIS 39 1HD HIS 39 0.284 -8.663 -6.122 270 HD2 HIS 39 2HD HIS 39 -3.340 -8.949 -4.110 271 HE1 HIS 39 1HE HIS 39 -1.265 -9.873 -7.693 272 HE2 HIS 39 2HE HIS 39 -3.430 -10.097 -6.425 273 H CYS 40 H CYS 40 2.472 -7.000 -3.023 274 HA CYS 40 HA CYS 40 2.642 -6.587 -0.138 275 HB2 CYS 40 2HB CYS 40 4.755 -6.999 -1.232 276 HB3 CYS 40 1HB CYS 40 4.410 -5.792 -2.467 277 HG CYS 40 HG CYS 40 4.541 -4.517 0.262 278 H ARG 41 H ARG 41 2.119 -4.674 0.821 279 HA ARG 41 HA ARG 41 0.322 -2.973 -0.563 280 HB2 ARG 41 2HB ARG 41 1.551 -2.646 2.175 281 HB3 ARG 41 1HB ARG 41 0.165 -1.755 1.561 282 HG2 ARG 41 2HG ARG 41 0.265 -4.741 1.926 283 HG3 ARG 41 1HG ARG 41 -0.462 -3.601 3.060 284 HD2 ARG 41 2HD ARG 41 -1.971 -2.841 1.239 285 HD3 ARG 41 1HD ARG 41 -1.303 -4.108 0.210 286 HE ARG 41 HE ARG 41 -2.645 -5.605 1.282 287 HH11 ARG 41 1HH1 ARG 41 -2.289 -2.789 3.296 288 HH12 ARG 41 2HH1 ARG 41 -3.418 -3.337 4.489 289 HH21 ARG 41 1HH2 ARG 41 -4.129 -6.344 2.847 290 HH22 ARG 41 2HH2 ARG 41 -4.459 -5.365 4.237 291 H ASN 42 H ASN 42 3.651 -2.943 -0.540 292 HA ASN 42 HA ASN 42 3.825 -0.029 -0.781 293 HB2 ASN 42 2HB ASN 42 5.942 -2.150 -0.415 294 HB3 ASN 42 1HB ASN 42 6.316 -0.465 -0.750 295 HD21 ASN 42 1HD2 ASN 42 6.354 -2.546 1.626 296 HD22 ASN 42 2HD2 ASN 42 5.902 -1.552 2.963 297 H CYS 43 H CYS 43 5.574 -2.678 -2.396 298 HA CYS 43 HA CYS 43 5.795 -1.131 -4.782 299 HB2 CYS 43 2HB CYS 43 6.975 -3.042 -5.710 300 HB3 CYS 43 1HB CYS 43 7.550 -2.712 -4.082 301 HG CYS 43 HG CYS 43 7.128 -5.310 -4.536 302 H GLY 44 H GLY 44 3.556 -3.490 -3.608 303 HA2 GLY 44 2HA GLY 44 1.509 -4.112 -4.463 304 HA3 GLY 44 1HA GLY 44 1.776 -2.988 -5.787 305 H TYR 45 H TYR 45 4.162 -5.396 -5.153 306 HA TYR 45 HA TYR 45 3.439 -6.728 -7.660 307 HB2 TYR 45 2HB TYR 45 6.003 -6.883 -6.064 308 HB3 TYR 45 1HB TYR 45 5.714 -7.642 -7.623 309 HD1 TYR 45 1HD TYR 45 4.371 -5.505 -9.117 310 HD2 TYR 45 2HD TYR 45 7.671 -5.307 -6.438 311 HE1 TYR 45 1HE TYR 45 5.171 -3.479 -10.261 312 HE2 TYR 45 2HE TYR 45 8.479 -3.280 -7.573 313 HH TYR 45 HH TYR 45 7.082 -1.347 -9.108 314 H VAL 46 H VAL 46 3.757 -9.072 -7.767 315 HA VAL 46 HA VAL 46 2.337 -10.303 -5.597 316 HB VAL 46 HB VAL 46 3.438 -11.500 -8.145 317 HG11 VAL 46 1HG1 VAL 46 3.329 -13.202 -6.426 318 HG12 VAL 46 2HG1 VAL 46 2.046 -13.457 -7.608 319 HG13 VAL 46 3HG1 VAL 46 1.673 -12.740 -6.040 320 HG21 VAL 46 1HG2 VAL 46 1.227 -11.401 -8.990 321 HG22 VAL 46 2HG2 VAL 46 1.544 -9.819 -8.276 322 HG23 VAL 46 3HG2 VAL 46 0.562 -10.999 -7.407 323 H LEU 47 H LEU 47 3.154 -11.429 -3.948 324 HA LEU 47 HA LEU 47 5.920 -12.422 -4.130 325 HB2 LEU 47 2HB LEU 47 4.658 -10.968 -1.798 326 HB3 LEU 47 1HB LEU 47 6.168 -11.844 -1.699 327 HG LEU 47 HG LEU 47 6.404 -9.378 -1.873 328 HD11 LEU 47 1HD1 LEU 47 7.658 -11.270 -3.787 329 HD12 LEU 47 2HD1 LEU 47 8.359 -10.421 -2.410 330 HD13 LEU 47 3HD1 LEU 47 8.029 -9.551 -3.908 331 HD21 LEU 47 1HD2 LEU 47 4.491 -9.473 -3.760 332 HD22 LEU 47 2HD2 LEU 47 5.938 -9.409 -4.767 333 HD23 LEU 47 3HD2 LEU 47 5.634 -8.144 -3.574 334 H CYS 48 H CYS 48 6.272 -14.397 -3.193 335 HA CYS 48 HA CYS 48 3.932 -15.935 -2.485 336 HB2 CYS 48 2HB CYS 48 5.298 -17.840 -2.596 337 HB3 CYS 48 1HB CYS 48 6.029 -16.769 -3.788 338 HG CYS 48 HG CYS 48 7.278 -16.930 -0.954 339 H GLY 49 H GLY 49 4.269 -17.408 -0.381 340 HA2 GLY 49 2HA GLY 49 4.024 -15.774 1.815 341 HA3 GLY 49 1HA GLY 49 4.486 -17.467 1.908 342 H ASP 50 H ASP 50 6.934 -17.623 0.934 343 HA ASP 50 HA ASP 50 8.587 -16.731 2.972 344 HB2 ASP 50 2HB ASP 50 9.190 -17.670 0.179 345 HB3 ASP 50 1HB ASP 50 10.469 -17.219 1.298 346 H CYS 51 H CYS 51 7.853 -15.166 -0.067 347 HA CYS 51 HA CYS 51 9.809 -13.078 0.451 348 HB2 CYS 51 2HB CYS 51 8.151 -13.887 -1.873 349 HB3 CYS 51 1HB CYS 51 8.573 -12.181 -1.750 350 HG CYS 51 HG CYS 51 11.071 -12.823 -1.924 351 H SER 52 H SER 52 6.776 -13.728 1.504 352 HA SER 52 HA SER 52 6.213 -10.887 1.951 353 HB2 SER 52 2HB SER 52 3.922 -11.116 1.456 354 HB3 SER 52 1HB SER 52 4.713 -12.024 0.168 355 HG SER 52 HG SER 52 3.650 -13.698 0.828 356 H ARG 53 H ARG 53 7.505 -13.067 3.516 357 HA ARG 53 HA ARG 53 5.619 -13.707 5.606 358 HB2 ARG 53 2HB ARG 53 8.571 -14.233 5.283 359 HB3 ARG 53 1HB ARG 53 7.719 -14.602 6.776 360 HG2 ARG 53 2HG ARG 53 6.169 -16.031 5.401 361 HG3 ARG 53 1HG ARG 53 7.286 -15.797 4.058 362 HD2 ARG 53 2HD ARG 53 9.104 -16.715 5.468 363 HD3 ARG 53 1HD ARG 53 7.911 -17.059 6.720 364 HE ARG 53 HE ARG 53 8.415 -18.588 4.369 365 HH11 ARG 53 1HH1 ARG 53 5.911 -17.619 6.587 366 HH12 ARG 53 2HH1 ARG 53 4.934 -19.020 6.299 367 HH21 ARG 53 1HH2 ARG 53 7.132 -20.432 3.976 368 HH22 ARG 53 2HH2 ARG 53 5.624 -20.615 4.807 369 H HIS 54 H HIS 54 7.739 -11.094 4.898 370 HA HIS 54 HA HIS 54 8.157 -10.327 7.631 371 HB2 HIS 54 2HB HIS 54 8.639 -8.873 5.030 372 HB3 HIS 54 1HB HIS 54 9.055 -8.212 6.602 373 HD1 HIS 54 1HD HIS 54 11.117 -9.181 7.787 374 HD2 HIS 54 2HD HIS 54 10.302 -10.951 4.119 375 HE1 HIS 54 1HE HIS 54 13.167 -10.519 7.218 376 HE2 HIS 54 2HE HIS 54 12.639 -11.611 5.008 377 H ARG 55 H ARG 55 7.527 -8.172 8.416 378 HA ARG 55 HA ARG 55 5.008 -7.175 7.333 379 HB2 ARG 55 2HB ARG 55 5.394 -7.951 10.232 380 HB3 ARG 55 1HB ARG 55 3.988 -7.119 9.577 381 HG2 ARG 55 2HG ARG 55 3.567 -9.066 8.112 382 HG3 ARG 55 1HG ARG 55 4.902 -9.905 8.901 383 HD2 ARG 55 2HD ARG 55 2.382 -8.907 10.224 384 HD3 ARG 55 1HD ARG 55 2.778 -10.587 9.860 385 HE ARG 55 HE ARG 55 3.741 -9.017 12.064 386 HH11 ARG 55 1HH1 ARG 55 4.377 -11.750 9.999 387 HH12 ARG 55 2HH1 ARG 55 5.381 -12.555 11.159 388 HH21 ARG 55 1HH2 ARG 55 5.053 -10.072 13.597 389 HH22 ARG 55 2HH2 ARG 55 5.762 -11.603 13.206 390 H ALA 56 H ALA 56 4.796 -5.015 7.475 391 HA ALA 56 HA ALA 56 6.359 -3.444 9.345 392 HB1 ALA 56 1HB ALA 56 7.531 -2.151 7.581 393 HB2 ALA 56 2HB ALA 56 6.987 -3.345 6.403 394 HB3 ALA 56 3HB ALA 56 8.064 -3.825 7.713 395 H ALA 57 H ALA 57 5.832 -1.187 9.359 396 HA ALA 57 HA ALA 57 3.153 -0.668 8.340 397 HB1 ALA 57 1HB ALA 57 3.167 0.063 10.511 398 HB2 ALA 57 2HB ALA 57 3.698 1.544 9.715 399 HB3 ALA 57 3HB ALA 57 4.881 0.479 10.472 400 H ILE 58 H ILE 58 2.696 1.156 7.004 401 HA ILE 58 HA ILE 58 5.052 2.332 5.698 402 HB ILE 58 HB ILE 58 2.506 1.817 4.210 403 HG12 ILE 58 2HG1 ILE 58 4.788 -0.156 4.447 404 HG13 ILE 58 1HG1 ILE 58 3.253 -0.321 5.292 405 HG21 ILE 58 1HG2 ILE 58 4.258 3.273 3.261 406 HG22 ILE 58 2HG2 ILE 58 3.976 1.828 2.293 407 HG23 ILE 58 3HG2 ILE 58 5.390 1.925 3.340 408 HD11 ILE 58 1HD1 ILE 58 2.221 -1.114 3.483 409 HD12 ILE 58 2HD1 ILE 58 3.849 -1.399 2.868 410 HD13 ILE 58 3HD1 ILE 58 2.977 0.066 2.414 411 HA PRO 59 HA PRO 59 2.359 5.675 7.430 412 HB2 PRO 59 2HB PRO 59 4.463 7.327 7.997 413 HB3 PRO 59 1HB PRO 59 3.824 6.116 9.112 414 HG2 PRO 59 2HG PRO 59 6.201 5.956 7.303 415 HG3 PRO 59 1HG PRO 59 6.024 5.392 8.976 416 HD2 PRO 59 2HD PRO 59 5.887 3.707 6.875 417 HD3 PRO 59 1HD PRO 59 4.915 3.464 8.342 418 H MET 60 H MET 60 4.455 5.427 4.712 419 HA MET 60 HA MET 60 3.951 8.163 3.850 420 HB2 MET 60 2HB MET 60 5.329 5.855 2.457 421 HB3 MET 60 1HB MET 60 5.255 7.507 1.863 422 HG2 MET 60 2HG MET 60 6.649 6.541 4.345 423 HG3 MET 60 1HG MET 60 7.400 7.104 2.854 424 HE1 MET 60 1HE MET 60 5.553 9.649 2.132 425 HE2 MET 60 2HE MET 60 7.309 9.561 1.996 426 HE3 MET 60 3HE MET 60 6.557 10.904 2.859 427 H ARG 61 H ARG 61 3.007 4.872 3.199 428 HA ARG 61 HA ARG 61 1.225 5.580 1.024 429 HB2 ARG 61 2HB ARG 61 1.512 2.952 2.483 430 HB3 ARG 61 1HB ARG 61 0.725 3.215 0.933 431 HG2 ARG 61 2HG ARG 61 3.651 3.654 1.476 432 HG3 ARG 61 1HG ARG 61 2.963 2.217 0.717 433 HD2 ARG 61 2HD ARG 61 2.725 5.031 -0.337 434 HD3 ARG 61 1HD ARG 61 3.873 3.822 -0.915 435 HE ARG 61 HE ARG 61 1.103 3.010 -1.007 436 HH11 ARG 61 1HH1 ARG 61 3.738 4.528 -2.704 437 HH12 ARG 61 2HH1 ARG 61 3.071 4.225 -4.274 438 HH21 ARG 61 1HH2 ARG 61 0.215 2.609 -3.067 439 HH22 ARG 61 2HH2 ARG 61 1.067 3.134 -4.481 440 H GLY 62 H GLY 62 1.058 6.061 4.196 441 HA2 GLY 62 2HA GLY 62 -0.831 6.885 5.339 442 HA3 GLY 62 1HA GLY 62 -1.863 6.056 4.183 443 H ILE 63 H ILE 63 0.563 3.985 5.191 444 HA ILE 63 HA ILE 63 -1.303 2.594 6.950 445 HB ILE 63 HB ILE 63 1.303 1.707 5.700 446 HG12 ILE 63 2HG1 ILE 63 -1.518 0.834 5.055 447 HG13 ILE 63 1HG1 ILE 63 -0.662 2.092 4.167 448 HG21 ILE 63 1HG2 ILE 63 -0.670 0.208 7.405 449 HG22 ILE 63 2HG2 ILE 63 1.041 0.488 7.719 450 HG23 ILE 63 3HG2 ILE 63 0.550 -0.578 6.402 451 HD11 ILE 63 1HD1 ILE 63 0.533 -0.629 4.468 452 HD12 ILE 63 2HD1 ILE 63 0.821 0.591 3.226 453 HD13 ILE 63 3HD1 ILE 63 -0.695 -0.310 3.242 454 H THR 64 H THR 64 -1.149 3.471 8.958 455 HA THR 64 HA THR 64 1.447 4.125 10.080 456 HB THR 64 HB THR 64 0.142 4.925 12.031 457 HG1 THR 64 1HG THR 64 -2.241 4.667 10.643 458 HG21 THR 64 1HG2 THR 64 -0.659 6.865 11.070 459 HG22 THR 64 2HG2 THR 64 -1.178 6.043 9.599 460 HG23 THR 64 3HG2 THR 64 0.538 6.309 9.899 461 H GLU 65 H GLU 65 -0.722 1.480 10.077 462 HA GLU 65 HA GLU 65 0.564 0.326 12.452 463 HB2 GLU 65 2HB GLU 65 -1.892 -0.590 10.935 464 HB3 GLU 65 1HB GLU 65 -1.250 -1.342 12.389 465 HG2 GLU 65 2HG GLU 65 -1.551 1.143 13.306 466 HG3 GLU 65 1HG GLU 65 -2.803 1.150 12.066 467 HA PRO 66 HA PRO 66 3.212 -2.059 9.889 468 HB2 PRO 66 2HB PRO 66 2.715 -4.267 11.831 469 HB3 PRO 66 1HB PRO 66 4.248 -3.594 11.265 470 HG2 PRO 66 2HG PRO 66 3.307 -3.016 13.697 471 HG3 PRO 66 1HG PRO 66 4.155 -1.799 12.725 472 HD2 PRO 66 2HD PRO 66 1.238 -2.082 13.287 473 HD3 PRO 66 1HD PRO 66 2.211 -0.614 13.067 474 H GLU 67 H GLU 67 2.681 -2.945 8.044 475 HA GLU 67 HA GLU 67 0.550 -4.969 7.960 476 HB2 GLU 67 2HB GLU 67 1.110 -2.807 5.924 477 HB3 GLU 67 1HB GLU 67 -0.066 -4.092 5.724 478 HG2 GLU 67 2HG GLU 67 -1.262 -3.248 7.720 479 HG3 GLU 67 1HG GLU 67 -0.131 -1.900 7.774 480 H ARG 68 H ARG 68 0.688 -6.334 5.939 481 HA ARG 68 HA ARG 68 3.271 -7.495 5.803 482 HB2 ARG 68 2HB ARG 68 2.287 -9.058 4.230 483 HB3 ARG 68 1HB ARG 68 1.232 -8.812 5.617 484 HG2 ARG 68 2HG ARG 68 -0.056 -7.174 4.220 485 HG3 ARG 68 1HG ARG 68 0.907 -7.707 2.839 486 HD2 ARG 68 2HD ARG 68 0.146 -10.025 3.266 487 HD3 ARG 68 1HD ARG 68 -0.899 -9.413 4.549 488 HE ARG 68 HE ARG 68 -1.713 -7.959 2.463 489 HH11 ARG 68 1HH1 ARG 68 -1.102 -11.374 2.778 490 HH12 ARG 68 2HH1 ARG 68 -2.287 -11.827 1.599 491 HH21 ARG 68 1HH2 ARG 68 -3.277 -8.544 0.912 492 HH22 ARG 68 2HH2 ARG 68 -3.525 -10.217 0.538 493 H VAL 69 H VAL 69 4.794 -7.462 4.323 494 HA VAL 69 HA VAL 69 4.465 -6.061 1.781 495 HB VAL 69 HB VAL 69 6.532 -4.762 2.116 496 HG11 VAL 69 1HG1 VAL 69 4.611 -3.483 2.374 497 HG12 VAL 69 2HG1 VAL 69 5.513 -3.160 3.857 498 HG13 VAL 69 3HG1 VAL 69 4.159 -4.288 3.879 499 HG21 VAL 69 1HG2 VAL 69 7.802 -5.762 3.749 500 HG22 VAL 69 2HG2 VAL 69 6.410 -6.073 4.791 501 HG23 VAL 69 3HG2 VAL 69 7.075 -4.443 4.672 502 H CYS 70 H CYS 70 6.786 -6.164 0.673 503 HA CYS 70 HA CYS 70 7.588 -8.965 0.813 504 HB2 CYS 70 2HB CYS 70 8.336 -8.796 -1.377 505 HB3 CYS 70 1HB CYS 70 6.990 -7.667 -1.379 506 HG CYS 70 HG CYS 70 9.760 -6.430 -0.935 507 H ASP 71 H ASP 71 10.204 -8.725 -0.185 508 HA ASP 71 HA ASP 71 11.511 -7.930 2.270 509 HB2 ASP 71 2HB ASP 71 12.640 -9.137 -0.264 510 HB3 ASP 71 1HB ASP 71 13.562 -8.854 1.210 511 H ALA 72 H ALA 72 11.608 -6.787 -1.097 512 HA ALA 72 HA ALA 72 13.651 -4.876 -0.632 513 HB1 ALA 72 1HB ALA 72 11.556 -4.557 -2.748 514 HB2 ALA 72 2HB ALA 72 12.794 -5.806 -2.866 515 HB3 ALA 72 3HB ALA 72 13.260 -4.106 -2.793 516 H CYS 73 H CYS 73 10.118 -4.600 -0.646 517 HA CYS 73 HA CYS 73 9.994 -1.827 -0.195 518 HB2 CYS 73 2HB CYS 73 7.960 -3.877 0.699 519 HB3 CYS 73 1HB CYS 73 7.679 -2.178 0.334 520 HG CYS 73 HG CYS 73 8.621 -3.932 -2.012 521 H TYR 74 H TYR 74 10.073 -4.598 2.000 522 HA TYR 74 HA TYR 74 9.642 -3.224 4.394 523 HB2 TYR 74 2HB TYR 74 9.712 -5.693 4.233 524 HB3 TYR 74 1HB TYR 74 11.445 -5.615 3.925 525 HD1 TYR 74 2HD TYR 74 8.820 -5.133 6.468 526 HD2 TYR 74 1HD TYR 74 13.004 -5.269 5.708 527 HE1 TYR 74 2HE TYR 74 9.251 -5.231 8.887 528 HE2 TYR 74 1HE TYR 74 13.446 -5.370 8.124 529 HH TYR 74 HH TYR 74 12.542 -5.581 10.156 530 H LEU 75 H LEU 75 12.546 -3.727 2.480 531 HA LEU 75 HA LEU 75 14.326 -2.465 4.317 532 HB2 LEU 75 2HB LEU 75 14.472 -3.467 1.529 533 HB3 LEU 75 1HB LEU 75 15.678 -2.299 2.028 534 HG LEU 75 HG LEU 75 15.161 -4.788 3.632 535 HD11 LEU 75 1HD1 LEU 75 17.049 -5.821 2.428 536 HD12 LEU 75 2HD1 LEU 75 17.028 -4.475 1.288 537 HD13 LEU 75 3HD1 LEU 75 15.641 -5.559 1.399 538 HD21 LEU 75 1HD2 LEU 75 17.818 -3.515 3.367 539 HD22 LEU 75 2HD2 LEU 75 17.046 -4.255 4.770 540 HD23 LEU 75 3HD2 LEU 75 16.592 -2.626 4.270 541 H ALA 76 H ALA 76 12.917 -1.369 1.220 542 HA ALA 76 HA ALA 76 14.080 1.114 1.110 543 HB1 ALA 76 1HB ALA 76 12.244 1.811 -0.318 544 HB2 ALA 76 2HB ALA 76 11.250 0.477 0.268 545 HB3 ALA 76 3HB ALA 76 12.694 0.147 -0.690 546 H LEU 77 H LEU 77 11.042 0.246 2.737 547 HA LEU 77 HA LEU 77 10.579 2.845 3.794 548 HB2 LEU 77 2HB LEU 77 9.671 0.136 4.785 549 HB3 LEU 77 1HB LEU 77 9.069 1.668 5.385 550 HG LEU 77 HG LEU 77 8.820 0.848 2.498 551 HD11 LEU 77 1HD1 LEU 77 7.635 -0.825 3.656 552 HD12 LEU 77 2HD1 LEU 77 6.427 0.354 3.146 553 HD13 LEU 77 3HD1 LEU 77 6.983 0.330 4.819 554 HD21 LEU 77 1HD2 LEU 77 8.599 3.227 2.907 555 HD22 LEU 77 2HD2 LEU 77 7.420 2.924 4.182 556 HD23 LEU 77 3HD2 LEU 77 7.024 2.538 2.506 557 H ARG 78 H ARG 78 12.165 -0.061 4.930 558 HA ARG 78 HA ARG 78 12.849 0.647 7.517 559 HB2 ARG 78 2HB ARG 78 13.113 -1.599 6.549 560 HB3 ARG 78 1HB ARG 78 14.413 -1.010 5.530 561 HG2 ARG 78 2HG ARG 78 15.625 -0.409 7.674 562 HG3 ARG 78 1HG ARG 78 14.393 -1.367 8.499 563 HD2 ARG 78 2HD ARG 78 14.978 -3.292 7.063 564 HD3 ARG 78 1HD ARG 78 16.268 -2.330 6.347 565 HE ARG 78 HE ARG 78 16.293 -3.628 8.908 566 HH11 ARG 78 1HH1 ARG 78 17.622 -1.027 7.006 567 HH12 ARG 78 2HH1 ARG 78 19.087 -0.932 7.924 568 HH21 ARG 78 1HH2 ARG 78 18.227 -3.513 10.119 569 HH22 ARG 78 2HH2 ARG 78 19.430 -2.342 9.694 570 H SER 79 H SER 79 14.007 1.924 4.540 571 HA SER 79 HA SER 79 16.619 2.650 5.224 572 HB2 SER 79 2HB SER 79 14.646 4.063 3.412 573 HB3 SER 79 1HB SER 79 16.382 4.377 3.462 574 HG SER 79 HG SER 79 16.618 2.083 2.941 575 H SER 80 H SER 80 17.482 4.629 5.958 576 HA SER 80 HA SER 80 15.602 6.269 7.527 577 HB2 SER 80 2HB SER 80 18.469 5.600 8.239 578 HB3 SER 80 1HB SER 80 17.357 6.575 9.200 579 HG SER 80 HG SER 80 16.012 4.666 9.307 580 H ASN 81 H ASN 81 16.022 8.504 7.647 581 HA ASN 81 HA ASN 81 16.909 9.730 5.323 582 HB2 ASN 81 2HB ASN 81 16.768 10.908 8.107 583 HB3 ASN 81 1HB ASN 81 16.886 11.836 6.615 584 HD21 ASN 81 1HD2 ASN 81 15.158 10.493 4.983 585 HD22 ASN 81 2HD2 ASN 81 13.550 10.627 5.598 586 H MET 82 H MET 82 18.667 8.873 8.228 587 HA MET 82 HA MET 82 21.071 10.236 7.333 588 HB2 MET 82 2HB MET 82 20.490 8.549 9.773 589 HB3 MET 82 1HB MET 82 22.043 9.307 9.446 590 HG2 MET 82 2HG MET 82 20.927 11.511 9.459 591 HG3 MET 82 1HG MET 82 19.419 10.711 9.897 592 HE1 MET 82 1HE MET 82 23.258 10.370 12.197 593 HE2 MET 82 2HE MET 82 22.917 12.081 11.936 594 HE3 MET 82 3HE MET 82 23.026 10.983 10.559 595 H ALA 83 H ALA 83 22.862 9.275 6.495 596 HA ALA 83 HA ALA 83 22.616 6.820 5.157 597 HB1 ALA 83 1HB ALA 83 24.794 8.762 5.644 598 HB2 ALA 83 2HB ALA 83 24.195 8.081 4.130 599 HB3 ALA 83 3HB ALA 83 25.270 7.134 5.160 600 H GLY 84 H GLY 84 23.473 4.782 5.546 601 HA2 GLY 84 2HA GLY 84 23.898 4.175 8.369 602 HA3 GLY 84 1HA GLY 84 23.588 3.011 7.091 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -19.981 3.989 9.900 2 H2 GLY 1 2HT GLY 1 -21.117 3.186 8.937 3 H3 GLY 1 3HT GLY 1 -21.635 4.246 10.148 4 HA2 GLY 1 1HA GLY 1 -21.603 5.943 8.759 5 HA3 GLY 1 2HA GLY 1 -19.895 5.651 8.466 6 HA PRO 2 HA PRO 2 -21.494 5.150 4.270 7 HB2 PRO 2 2HB PRO 2 -19.006 4.635 3.193 8 HB3 PRO 2 1HB PRO 2 -19.687 6.248 3.422 9 HG2 PRO 2 2HG PRO 2 -17.738 4.754 5.121 10 HG3 PRO 2 1HG PRO 2 -17.769 6.475 4.696 11 HD2 PRO 2 2HD PRO 2 -18.588 5.597 7.099 12 HD3 PRO 2 1HD PRO 2 -19.375 6.968 6.289 13 H LEU 3 H LEU 3 -21.944 3.378 3.005 14 HA LEU 3 HA LEU 3 -21.826 0.833 4.171 15 HB2 LEU 3 2HB LEU 3 -22.239 1.540 1.264 16 HB3 LEU 3 1HB LEU 3 -22.613 -0.006 2.002 17 HG LEU 3 HG LEU 3 -23.984 2.632 2.483 18 HD11 LEU 3 1HD1 LEU 3 -24.764 1.520 0.514 19 HD12 LEU 3 2HD1 LEU 3 -25.973 1.304 1.779 20 HD13 LEU 3 3HD1 LEU 3 -24.882 -0.018 1.368 21 HD21 LEU 3 1HD2 LEU 3 -25.379 0.679 3.862 22 HD22 LEU 3 2HD2 LEU 3 -24.381 1.951 4.567 23 HD23 LEU 3 3HD2 LEU 3 -23.691 0.358 4.257 24 H GLY 4 H GLY 4 -19.610 2.521 2.097 25 HA2 GLY 4 2HA GLY 4 -18.133 0.185 1.305 26 HA3 GLY 4 1HA GLY 4 -17.661 1.856 1.047 27 H SER 5 H SER 5 -18.410 1.398 4.285 28 HA SER 5 HA SER 5 -15.801 1.865 5.174 29 HB2 SER 5 2HB SER 5 -18.150 0.686 6.674 30 HB3 SER 5 1HB SER 5 -16.668 1.274 7.428 31 HG SER 5 HG SER 5 -18.681 2.725 6.093 32 H MET 6 H MET 6 -17.533 -1.116 4.576 33 HA MET 6 HA MET 6 -15.397 -2.725 5.730 34 HB2 MET 6 2HB MET 6 -18.016 -3.469 4.422 35 HB3 MET 6 1HB MET 6 -16.852 -4.646 5.013 36 HG2 MET 6 2HG MET 6 -17.072 -3.634 7.272 37 HG3 MET 6 1HG MET 6 -18.362 -2.615 6.637 38 HE1 MET 6 1HE MET 6 -17.035 -6.019 7.414 39 HE2 MET 6 2HE MET 6 -17.746 -6.661 5.932 40 HE3 MET 6 3HE MET 6 -18.433 -7.089 7.498 41 H GLY 7 H GLY 7 -13.958 -3.942 4.582 42 HA2 GLY 7 2HA GLY 7 -13.003 -4.938 2.693 43 HA3 GLY 7 1HA GLY 7 -14.219 -4.160 1.692 44 H GLU 8 H GLU 8 -12.858 -1.951 3.824 45 HA GLU 8 HA GLU 8 -11.362 -0.722 1.655 46 HB2 GLU 8 2HB GLU 8 -12.911 0.600 3.100 47 HB3 GLU 8 1HB GLU 8 -11.838 0.305 4.460 48 HG2 GLU 8 2HG GLU 8 -10.036 1.474 3.272 49 HG3 GLU 8 1HG GLU 8 -11.142 1.797 1.939 50 H LYS 9 H LYS 9 -10.532 -3.151 3.442 51 HA LYS 9 HA LYS 9 -8.142 -2.293 4.744 52 HB2 LYS 9 2HB LYS 9 -9.027 -5.034 3.815 53 HB3 LYS 9 1HB LYS 9 -7.615 -4.730 4.817 54 HG2 LYS 9 2HG LYS 9 -9.069 -3.794 6.557 55 HG3 LYS 9 1HG LYS 9 -10.477 -4.154 5.554 56 HD2 LYS 9 2HD LYS 9 -9.805 -6.553 5.586 57 HD3 LYS 9 1HD LYS 9 -8.520 -6.132 6.722 58 HE2 LYS 9 2HE LYS 9 -10.020 -5.620 8.418 59 HE3 LYS 9 1HE LYS 9 -11.360 -5.384 7.297 60 HZ1 LYS 9 1HZ LYS 9 -11.403 -7.761 6.892 61 HZ2 LYS 9 2HZ LYS 9 -11.581 -7.447 8.544 62 HZ3 LYS 9 3HZ LYS 9 -10.098 -7.996 7.944 63 H GLN 10 H GLN 10 -9.002 -2.447 1.572 64 HA GLN 10 HA GLN 10 -6.834 -3.552 0.226 65 HB2 GLN 10 2HB GLN 10 -8.834 -2.983 -0.958 66 HB3 GLN 10 1HB GLN 10 -8.709 -1.292 -0.489 67 HG2 GLN 10 2HG GLN 10 -6.735 -1.033 -1.879 68 HG3 GLN 10 1HG GLN 10 -6.784 -2.746 -2.298 69 HE21 GLN 10 1HE2 GLN 10 -6.755 -0.999 -4.316 70 HE22 GLN 10 2HE2 GLN 10 -8.301 -0.904 -5.081 71 H SER 11 H SER 11 -4.934 -2.682 -0.600 72 HA SER 11 HA SER 11 -4.042 -0.206 0.723 73 HB2 SER 11 2HB SER 11 -2.829 -2.243 1.437 74 HB3 SER 11 1HB SER 11 -2.343 -2.522 -0.236 75 HG SER 11 HG SER 11 -1.215 -0.553 -0.172 76 H LYS 12 H LYS 12 -2.930 1.331 -0.440 77 HA LYS 12 HA LYS 12 -3.586 1.575 -3.179 78 HB2 LYS 12 2HB LYS 12 -3.246 3.498 -1.656 79 HB3 LYS 12 1HB LYS 12 -1.532 3.117 -1.583 80 HG2 LYS 12 2HG LYS 12 -1.281 3.590 -3.933 81 HG3 LYS 12 1HG LYS 12 -3.018 3.847 -4.097 82 HD2 LYS 12 2HD LYS 12 -1.925 5.987 -3.968 83 HD3 LYS 12 1HD LYS 12 -2.841 5.724 -2.481 84 HE2 LYS 12 2HE LYS 12 -0.692 4.878 -1.458 85 HE3 LYS 12 1HE LYS 12 0.132 5.488 -2.892 86 HZ1 LYS 12 1HZ LYS 12 -1.644 7.317 -1.462 87 HZ2 LYS 12 2HZ LYS 12 -0.198 7.637 -2.282 88 HZ3 LYS 12 3HZ LYS 12 -0.160 6.944 -0.739 89 H GLY 13 H GLY 13 -2.498 1.059 -4.988 90 HA2 GLY 13 2HA GLY 13 0.030 0.954 -5.712 91 HA3 GLY 13 1HA GLY 13 -0.013 -0.453 -4.661 92 H TYR 14 H TYR 14 0.557 -0.367 -7.497 93 HA TYR 14 HA TYR 14 -1.758 -1.373 -8.868 94 HB2 TYR 14 2HB TYR 14 -0.033 -0.128 -10.074 95 HB3 TYR 14 1HB TYR 14 1.146 -1.378 -9.693 96 HD1 TYR 14 2HD TYR 14 -1.909 -0.635 -11.631 97 HD2 TYR 14 1HD TYR 14 1.265 -3.388 -10.962 98 HE1 TYR 14 2HE TYR 14 -2.536 -1.845 -13.677 99 HE2 TYR 14 1HE TYR 14 0.647 -4.606 -13.006 100 HH TYR 14 HH TYR 14 -1.924 -3.440 -15.136 101 H TRP 15 H TRP 15 -2.486 -3.373 -8.774 102 HA TRP 15 HA TRP 15 -0.852 -5.488 -7.598 103 HB2 TRP 15 2HB TRP 15 -2.935 -6.796 -7.579 104 HB3 TRP 15 1HB TRP 15 -3.158 -5.226 -6.810 105 HD1 TRP 15 HD TRP 15 -4.238 -7.247 -9.856 106 HE1 TRP 15 1HE TRP 15 -6.199 -6.038 -11.004 107 HE3 TRP 15 3HE TRP 15 -4.177 -2.891 -7.185 108 HZ2 TRP 15 2HZ TRP 15 -7.546 -3.561 -10.800 109 HZ3 TRP 15 3HZ TRP 15 -5.831 -1.153 -7.722 110 HH2 TRP 15 HH TRP 15 -7.481 -1.481 -9.491 111 H GLN 16 H GLN 16 0.327 -6.798 -8.833 112 HA GLN 16 HA GLN 16 -0.166 -6.984 -11.693 113 HB2 GLN 16 2HB GLN 16 2.149 -6.765 -10.769 114 HB3 GLN 16 1HB GLN 16 1.956 -8.338 -10.010 115 HG2 GLN 16 2HG GLN 16 1.711 -9.376 -12.196 116 HG3 GLN 16 1HG GLN 16 1.864 -7.800 -12.970 117 HE21 GLN 16 1HE2 GLN 16 3.557 -9.586 -13.840 118 HE22 GLN 16 2HE2 GLN 16 5.146 -9.357 -13.206 119 H GLU 17 H GLU 17 -1.166 -8.540 -12.690 120 HA GLU 17 HA GLU 17 -2.761 -10.384 -11.378 121 HB2 GLU 17 2HB GLU 17 -1.793 -10.409 -14.237 122 HB3 GLU 17 1HB GLU 17 -3.106 -11.400 -13.616 123 HG2 GLU 17 2HG GLU 17 -4.338 -9.354 -13.023 124 HG3 GLU 17 1HG GLU 17 -3.038 -8.394 -13.727 125 H ASP 18 H ASP 18 -2.754 -12.644 -11.297 126 HA ASP 18 HA ASP 18 -0.424 -13.927 -10.407 127 HB2 ASP 18 2HB ASP 18 -2.882 -14.591 -10.106 128 HB3 ASP 18 1HB ASP 18 -2.741 -15.357 -11.682 129 H GLU 19 H GLU 19 -2.018 -13.988 -13.562 130 HA GLU 19 HA GLU 19 -0.274 -15.847 -14.759 131 HB2 GLU 19 2HB GLU 19 -2.038 -13.728 -15.985 132 HB3 GLU 19 1HB GLU 19 -1.205 -14.968 -16.908 133 HG2 GLU 19 2HG GLU 19 -2.437 -16.695 -15.675 134 HG3 GLU 19 1HG GLU 19 -3.292 -15.434 -14.788 135 H ASP 20 H ASP 20 -0.238 -12.304 -14.708 136 HA ASP 20 HA ASP 20 1.943 -12.041 -16.489 137 HB2 ASP 20 2HB ASP 20 0.862 -10.158 -14.383 138 HB3 ASP 20 1HB ASP 20 2.131 -9.723 -15.524 139 H ALA 21 H ALA 21 1.671 -12.455 -13.040 140 HA ALA 21 HA ALA 21 4.611 -12.480 -12.812 141 HB1 ALA 21 1HB ALA 21 3.836 -12.389 -10.246 142 HB2 ALA 21 2HB ALA 21 2.465 -11.572 -10.994 143 HB3 ALA 21 3HB ALA 21 4.098 -10.947 -11.226 144 HA PRO 22 HA PRO 22 3.204 -16.893 -12.333 145 HB2 PRO 22 2HB PRO 22 5.104 -17.952 -13.927 146 HB3 PRO 22 1HB PRO 22 3.598 -17.287 -14.565 147 HG2 PRO 22 2HG PRO 22 6.304 -16.009 -14.401 148 HG3 PRO 22 1HG PRO 22 5.169 -16.043 -15.764 149 HD2 PRO 22 2HD PRO 22 5.386 -13.910 -14.121 150 HD3 PRO 22 1HD PRO 22 3.843 -14.380 -14.865 151 H ALA 23 H ALA 23 6.017 -15.078 -11.754 152 HA ALA 23 HA ALA 23 6.951 -17.078 -9.815 153 HB1 ALA 23 1HB ALA 23 8.349 -16.314 -12.168 154 HB2 ALA 23 2HB ALA 23 8.876 -17.395 -10.877 155 HB3 ALA 23 3HB ALA 23 9.218 -15.668 -10.776 156 H CYS 24 H CYS 24 8.178 -16.146 -8.028 157 HA CYS 24 HA CYS 24 7.012 -13.812 -7.021 158 HB2 CYS 24 2HB CYS 24 8.130 -15.731 -5.756 159 HB3 CYS 24 1HB CYS 24 9.654 -14.915 -6.089 160 HG CYS 24 HG CYS 24 9.044 -13.074 -4.494 161 H ASN 25 H ASN 25 7.414 -11.755 -7.339 162 HA ASN 25 HA ASN 25 9.318 -10.790 -9.151 163 HB2 ASN 25 2HB ASN 25 7.728 -9.386 -6.999 164 HB3 ASN 25 1HB ASN 25 8.721 -8.538 -8.182 165 HD21 ASN 25 1HD2 ASN 25 5.746 -10.056 -7.551 166 HD22 ASN 25 2HD2 ASN 25 5.046 -9.862 -9.119 167 H GLY 26 H GLY 26 9.503 -11.440 -5.736 168 HA2 GLY 26 2HA GLY 26 11.927 -9.871 -5.412 169 HA3 GLY 26 1HA GLY 26 11.096 -10.778 -4.163 170 H CYS 27 H CYS 27 11.100 -13.329 -4.935 171 HA CYS 27 HA CYS 27 13.968 -13.901 -5.118 172 HB2 CYS 27 2HB CYS 27 13.503 -15.986 -3.989 173 HB3 CYS 27 1HB CYS 27 12.753 -14.666 -3.097 174 HG CYS 27 HG CYS 27 10.816 -16.196 -3.173 175 H GLY 28 H GLY 28 11.322 -13.967 -7.150 176 HA2 GLY 28 2HA GLY 28 11.112 -14.818 -9.262 177 HA3 GLY 28 1HA GLY 28 12.755 -15.419 -9.121 178 H CYS 29 H CYS 29 10.751 -16.547 -6.609 179 HA CYS 29 HA CYS 29 10.922 -19.224 -7.597 180 HB2 CYS 29 2HB CYS 29 9.994 -19.916 -5.556 181 HB3 CYS 29 1HB CYS 29 10.905 -18.468 -5.139 182 HG CYS 29 HG CYS 29 8.068 -17.690 -5.626 183 H VAL 30 H VAL 30 9.327 -20.564 -8.381 184 HA VAL 30 HA VAL 30 7.197 -19.225 -9.780 185 HB VAL 30 HB VAL 30 7.270 -22.183 -9.695 186 HG11 VAL 30 1HG1 VAL 30 7.248 -21.353 -12.303 187 HG12 VAL 30 2HG1 VAL 30 6.404 -20.045 -11.473 188 HG13 VAL 30 3HG1 VAL 30 5.824 -21.703 -11.322 189 HG21 VAL 30 1HG2 VAL 30 9.543 -22.101 -9.897 190 HG22 VAL 30 2HG2 VAL 30 9.531 -20.484 -10.604 191 HG23 VAL 30 3HG2 VAL 30 9.095 -21.882 -11.588 192 H PHE 31 H PHE 31 5.062 -19.285 -9.416 193 HA PHE 31 HA PHE 31 4.165 -20.167 -6.809 194 HB2 PHE 31 2HB PHE 31 2.745 -18.705 -9.043 195 HB3 PHE 31 1HB PHE 31 2.009 -19.095 -7.489 196 HD1 PHE 31 2HD PHE 31 2.927 -18.084 -5.411 197 HD2 PHE 31 1HD PHE 31 4.192 -16.863 -9.286 198 HE1 PHE 31 2HE PHE 31 3.856 -16.017 -4.454 199 HE2 PHE 31 1HE PHE 31 5.125 -14.796 -8.335 200 HZ PHE 31 HZ PHE 31 4.957 -14.372 -5.915 201 H THR 32 H THR 32 2.886 -21.826 -6.377 202 HA THR 32 HA THR 32 1.844 -23.433 -8.614 203 HB THR 32 HB THR 32 2.453 -25.472 -7.491 204 HG1 THR 32 1HG THR 32 3.243 -23.753 -5.397 205 HG21 THR 32 1HG2 THR 32 4.601 -25.492 -8.082 206 HG22 THR 32 2HG2 THR 32 5.013 -24.161 -7.002 207 HG23 THR 32 3HG2 THR 32 4.318 -23.827 -8.588 208 H THR 33 H THR 33 0.181 -25.059 -7.807 209 HA THR 33 HA THR 33 -2.059 -23.816 -6.825 210 HB THR 33 HB THR 33 -1.335 -26.722 -6.418 211 HG1 THR 33 1HG THR 33 -2.649 -25.464 -8.593 212 HG21 THR 33 1HG2 THR 33 -3.482 -25.573 -5.355 213 HG22 THR 33 2HG2 THR 33 -3.502 -27.209 -6.014 214 HG23 THR 33 3HG2 THR 33 -4.104 -25.861 -6.980 215 H THR 34 H THR 34 0.405 -25.549 -4.935 216 HA THR 34 HA THR 34 -0.965 -25.264 -2.481 217 HB THR 34 HB THR 34 1.997 -25.648 -2.964 218 HG1 THR 34 1HG THR 34 -0.103 -27.504 -2.550 219 HG21 THR 34 1HG2 THR 34 2.232 -26.413 -0.766 220 HG22 THR 34 2HG2 THR 34 0.487 -26.462 -0.507 221 HG23 THR 34 3HG2 THR 34 1.316 -24.911 -0.637 222 H VAL 35 H VAL 35 1.391 -23.190 -4.139 223 HA VAL 35 HA VAL 35 1.449 -21.385 -1.862 224 HB VAL 35 HB VAL 35 2.773 -21.179 -4.562 225 HG11 VAL 35 1HG1 VAL 35 2.929 -19.398 -2.140 226 HG12 VAL 35 2HG1 VAL 35 2.406 -18.964 -3.767 227 HG13 VAL 35 3HG1 VAL 35 4.097 -19.358 -3.461 228 HG21 VAL 35 1HG2 VAL 35 4.161 -22.683 -3.647 229 HG22 VAL 35 2HG2 VAL 35 3.523 -22.422 -2.023 230 HG23 VAL 35 3HG2 VAL 35 4.746 -21.329 -2.677 231 H ARG 36 H ARG 36 -0.126 -20.045 -1.583 232 HA ARG 36 HA ARG 36 -1.916 -19.201 -3.663 233 HB2 ARG 36 2HB ARG 36 -1.613 -18.276 -0.798 234 HB3 ARG 36 1HB ARG 36 -2.913 -17.787 -1.876 235 HG2 ARG 36 2HG ARG 36 -3.600 -20.149 -2.065 236 HG3 ARG 36 1HG ARG 36 -2.346 -20.577 -0.901 237 HD2 ARG 36 2HD ARG 36 -3.428 -18.972 0.701 238 HD3 ARG 36 1HD ARG 36 -4.761 -18.832 -0.445 239 HE ARG 36 HE ARG 36 -5.515 -20.880 0.243 240 HH11 ARG 36 1HH1 ARG 36 -2.218 -20.472 1.286 241 HH12 ARG 36 2HH1 ARG 36 -2.206 -21.912 2.248 242 HH21 ARG 36 1HH2 ARG 36 -5.512 -22.779 1.512 243 HH22 ARG 36 2HH2 ARG 36 -4.081 -23.220 2.383 244 H ARG 37 H ARG 37 -2.188 -17.129 -4.499 245 HA ARG 37 HA ARG 37 0.266 -15.647 -4.804 246 HB2 ARG 37 2HB ARG 37 -1.239 -15.956 -6.710 247 HB3 ARG 37 1HB ARG 37 -2.515 -15.095 -5.858 248 HG2 ARG 37 2HG ARG 37 -1.240 -13.054 -5.919 249 HG3 ARG 37 1HG ARG 37 0.134 -13.899 -6.636 250 HD2 ARG 37 2HD ARG 37 -1.059 -12.703 -8.349 251 HD3 ARG 37 1HD ARG 37 -1.260 -14.434 -8.597 252 HE ARG 37 HE ARG 37 -3.484 -14.121 -7.467 253 HH11 ARG 37 1HH1 ARG 37 -1.944 -11.503 -9.209 254 HH12 ARG 37 2HH1 ARG 37 -3.439 -10.709 -9.575 255 HH21 ARG 37 1HH2 ARG 37 -5.441 -13.072 -7.955 256 HH22 ARG 37 2HH2 ARG 37 -5.421 -11.597 -8.860 257 H HIS 38 H HIS 38 0.740 -13.623 -4.037 258 HA HIS 38 HA HIS 38 -1.236 -12.275 -2.365 259 HB2 HIS 38 2HB HIS 38 1.538 -13.006 -1.407 260 HB3 HIS 38 1HB HIS 38 0.394 -11.989 -0.536 261 HD1 HIS 38 1HD HIS 38 -1.919 -13.260 0.141 262 HD2 HIS 38 2HD HIS 38 1.326 -15.659 -0.848 263 HE1 HIS 38 1HE HIS 38 -2.462 -15.538 1.059 264 HE2 HIS 38 2HE HIS 38 -0.535 -16.998 0.349 265 H HIS 39 H HIS 39 -0.532 -10.065 -1.746 266 HA HIS 39 HA HIS 39 1.372 -8.932 -3.695 267 HB2 HIS 39 2HB HIS 39 -1.354 -7.855 -2.963 268 HB3 HIS 39 1HB HIS 39 -0.159 -6.971 -3.905 269 HD1 HIS 39 1HD HIS 39 -2.563 -9.826 -4.120 270 HD2 HIS 39 2HD HIS 39 0.122 -7.800 -6.561 271 HE1 HIS 39 1HE HIS 39 -3.060 -10.606 -6.458 272 HE2 HIS 39 2HE HIS 39 -1.502 -9.278 -7.927 273 H CYS 40 H CYS 40 2.514 -7.099 -3.071 274 HA CYS 40 HA CYS 40 2.721 -6.668 -0.189 275 HB2 CYS 40 2HB CYS 40 4.826 -7.021 -1.279 276 HB3 CYS 40 1HB CYS 40 4.422 -5.899 -2.573 277 HG CYS 40 HG CYS 40 4.813 -4.748 0.273 278 H ARG 41 H ARG 41 2.132 -4.785 0.772 279 HA ARG 41 HA ARG 41 0.258 -3.128 -0.541 280 HB2 ARG 41 2HB ARG 41 1.616 -2.797 2.135 281 HB3 ARG 41 1HB ARG 41 0.228 -1.866 1.590 282 HG2 ARG 41 2HG ARG 41 -1.079 -3.947 1.437 283 HG3 ARG 41 1HG ARG 41 0.312 -4.840 2.054 284 HD2 ARG 41 2HD ARG 41 0.241 -3.316 4.065 285 HD3 ARG 41 1HD ARG 41 -1.313 -2.738 3.471 286 HE ARG 41 HE ARG 41 -0.731 -5.352 4.610 287 HH11 ARG 41 1HH1 ARG 41 -3.022 -3.284 2.984 288 HH12 ARG 41 2HH1 ARG 41 -4.391 -4.252 3.414 289 HH21 ARG 41 1HH2 ARG 41 -2.535 -6.623 5.182 290 HH22 ARG 41 2HH2 ARG 41 -4.115 -6.146 4.657 291 H ASN 42 H ASN 42 3.592 -2.997 -0.665 292 HA ASN 42 HA ASN 42 3.649 -0.084 -0.964 293 HB2 ASN 42 2HB ASN 42 5.667 -2.127 -0.225 294 HB3 ASN 42 1HB ASN 42 6.241 -0.758 -1.165 295 HD21 ASN 42 1HD2 ASN 42 7.482 -0.101 0.608 296 HD22 ASN 42 2HD2 ASN 42 6.753 0.713 1.943 297 H CYS 43 H CYS 43 5.417 -2.730 -2.547 298 HA CYS 43 HA CYS 43 5.660 -1.233 -4.955 299 HB2 CYS 43 2HB CYS 43 6.761 -3.267 -5.836 300 HB3 CYS 43 1HB CYS 43 7.426 -2.745 -4.294 301 HG CYS 43 HG CYS 43 6.032 -4.725 -3.187 302 H GLY 44 H GLY 44 3.404 -3.595 -3.784 303 HA2 GLY 44 2HA GLY 44 1.370 -4.222 -4.678 304 HA3 GLY 44 1HA GLY 44 1.673 -3.127 -6.019 305 H TYR 45 H TYR 45 4.096 -5.457 -5.311 306 HA TYR 45 HA TYR 45 3.433 -6.868 -7.786 307 HB2 TYR 45 2HB TYR 45 5.960 -6.977 -6.132 308 HB3 TYR 45 1HB TYR 45 5.716 -7.749 -7.692 309 HD1 TYR 45 2HD TYR 45 4.342 -5.573 -9.175 310 HD2 TYR 45 1HD TYR 45 7.679 -5.447 -6.538 311 HE1 TYR 45 2HE TYR 45 5.159 -3.551 -10.313 312 HE2 TYR 45 1HE TYR 45 8.503 -3.425 -7.670 313 HH TYR 45 HH TYR 45 6.660 -1.561 -9.675 314 H VAL 46 H VAL 46 3.728 -9.195 -7.847 315 HA VAL 46 HA VAL 46 2.313 -10.401 -5.659 316 HB VAL 46 HB VAL 46 3.444 -11.677 -8.154 317 HG11 VAL 46 1HG1 VAL 46 1.583 -12.808 -6.067 318 HG12 VAL 46 2HG1 VAL 46 3.251 -13.301 -6.352 319 HG13 VAL 46 3HG1 VAL 46 2.021 -13.595 -7.584 320 HG21 VAL 46 1HG2 VAL 46 1.655 -10.864 -9.191 321 HG22 VAL 46 2HG2 VAL 46 1.146 -10.060 -7.707 322 HG23 VAL 46 3HG2 VAL 46 0.609 -11.706 -8.048 323 H LEU 47 H LEU 47 3.106 -11.518 -3.996 324 HA LEU 47 HA LEU 47 5.888 -12.473 -4.129 325 HB2 LEU 47 2HB LEU 47 4.558 -10.992 -1.856 326 HB3 LEU 47 1HB LEU 47 6.044 -11.897 -1.670 327 HG LEU 47 HG LEU 47 6.351 -9.446 -1.879 328 HD11 LEU 47 1HD1 LEU 47 7.938 -9.851 -4.043 329 HD12 LEU 47 2HD1 LEU 47 7.673 -11.498 -3.471 330 HD13 LEU 47 3HD1 LEU 47 8.346 -10.286 -2.384 331 HD21 LEU 47 1HD2 LEU 47 4.495 -9.513 -3.812 332 HD22 LEU 47 2HD2 LEU 47 5.962 -9.529 -4.790 333 HD23 LEU 47 3HD2 LEU 47 5.684 -8.223 -3.637 334 H CYS 48 H CYS 48 6.267 -14.431 -3.188 335 HA CYS 48 HA CYS 48 3.964 -16.045 -2.533 336 HB2 CYS 48 2HB CYS 48 5.365 -17.884 -2.708 337 HB3 CYS 48 1HB CYS 48 6.230 -16.739 -3.730 338 HG CYS 48 HG CYS 48 7.178 -16.869 -0.812 339 H GLY 49 H GLY 49 4.235 -17.477 -0.408 340 HA2 GLY 49 2HA GLY 49 3.917 -15.816 1.766 341 HA3 GLY 49 1HA GLY 49 4.366 -17.510 1.888 342 H ASP 50 H ASP 50 6.846 -17.655 0.938 343 HA ASP 50 HA ASP 50 8.452 -16.769 3.022 344 HB2 ASP 50 2HB ASP 50 9.102 -17.733 0.250 345 HB3 ASP 50 1HB ASP 50 10.367 -17.268 1.381 346 H CYS 51 H CYS 51 7.762 -15.179 -0.016 347 HA CYS 51 HA CYS 51 9.738 -13.121 0.536 348 HB2 CYS 51 2HB CYS 51 8.094 -13.887 -1.811 349 HB3 CYS 51 1HB CYS 51 8.532 -12.187 -1.667 350 HG CYS 51 HG CYS 51 10.564 -12.974 -2.831 351 H SER 52 H SER 52 6.712 -13.736 1.595 352 HA SER 52 HA SER 52 6.165 -10.890 2.045 353 HB2 SER 52 2HB SER 52 3.851 -11.136 1.613 354 HB3 SER 52 1HB SER 52 4.639 -11.987 0.284 355 HG SER 52 HG SER 52 2.891 -12.948 2.023 356 H ARG 53 H ARG 53 7.468 -13.073 3.578 357 HA ARG 53 HA ARG 53 5.628 -13.727 5.698 358 HB2 ARG 53 2HB ARG 53 8.575 -14.221 5.304 359 HB3 ARG 53 1HB ARG 53 7.759 -14.620 6.809 360 HG2 ARG 53 2HG ARG 53 6.211 -16.068 5.489 361 HG3 ARG 53 1HG ARG 53 7.234 -15.766 4.086 362 HD2 ARG 53 2HD ARG 53 7.876 -17.855 5.081 363 HD3 ARG 53 1HD ARG 53 9.161 -16.676 5.337 364 HE ARG 53 HE ARG 53 7.340 -16.771 7.531 365 HH11 ARG 53 1HH1 ARG 53 10.065 -18.383 6.084 366 HH12 ARG 53 2HH1 ARG 53 10.627 -19.053 7.579 367 HH21 ARG 53 1HH2 ARG 53 8.070 -17.646 9.504 368 HH22 ARG 53 2HH2 ARG 53 9.491 -18.635 9.526 369 H HIS 54 H HIS 54 7.766 -11.116 4.972 370 HA HIS 54 HA HIS 54 8.219 -10.355 7.696 371 HB2 HIS 54 2HB HIS 54 8.684 -8.947 5.070 372 HB3 HIS 54 1HB HIS 54 9.022 -8.189 6.617 373 HD1 HIS 54 1HD HIS 54 10.959 -9.250 8.047 374 HD2 HIS 54 2HD HIS 54 10.585 -10.746 4.192 375 HE1 HIS 54 1HE HIS 54 13.111 -10.465 7.590 376 HE2 HIS 54 2HE HIS 54 12.905 -11.267 5.211 377 H ARG 55 H ARG 55 7.614 -8.184 8.481 378 HA ARG 55 HA ARG 55 5.051 -7.208 7.484 379 HB2 ARG 55 2HB ARG 55 5.526 -7.943 10.380 380 HB3 ARG 55 1HB ARG 55 4.071 -7.197 9.724 381 HG2 ARG 55 2HG ARG 55 3.713 -9.195 8.326 382 HG3 ARG 55 1HG ARG 55 5.114 -9.947 9.089 383 HD2 ARG 55 2HD ARG 55 2.552 -9.090 10.424 384 HD3 ARG 55 1HD ARG 55 3.118 -10.740 10.169 385 HE ARG 55 HE ARG 55 3.836 -9.010 12.302 386 HH11 ARG 55 1HH1 ARG 55 5.076 -11.519 10.224 387 HH12 ARG 55 2HH1 ARG 55 6.270 -12.050 11.361 388 HH21 ARG 55 1HH2 ARG 55 5.408 -9.701 13.805 389 HH22 ARG 55 2HH2 ARG 55 6.456 -11.019 13.398 390 H ALA 56 H ALA 56 4.871 -5.051 7.591 391 HA ALA 56 HA ALA 56 6.381 -3.462 9.471 392 HB1 ALA 56 1HB ALA 56 8.024 -4.076 7.647 393 HB2 ALA 56 2HB ALA 56 7.850 -2.357 7.999 394 HB3 ALA 56 3HB ALA 56 7.071 -3.050 6.576 395 H ALA 57 H ALA 57 5.842 -1.207 9.439 396 HA ALA 57 HA ALA 57 3.190 -0.727 8.369 397 HB1 ALA 57 1HB ALA 57 4.966 1.031 10.066 398 HB2 ALA 57 2HB ALA 57 3.692 -0.032 10.663 399 HB3 ALA 57 3HB ALA 57 3.283 1.356 9.654 400 H ILE 58 H ILE 58 2.730 1.238 7.116 401 HA ILE 58 HA ILE 58 5.030 2.203 5.573 402 HB ILE 58 HB ILE 58 2.428 1.761 4.184 403 HG12 ILE 58 2HG1 ILE 58 4.492 -0.395 4.703 404 HG13 ILE 58 1HG1 ILE 58 2.841 -0.374 5.313 405 HG21 ILE 58 1HG2 ILE 58 3.739 1.716 2.257 406 HG22 ILE 58 2HG2 ILE 58 5.207 1.325 3.147 407 HG23 ILE 58 3HG2 ILE 58 4.510 2.941 3.260 408 HD11 ILE 58 1HD1 ILE 58 2.641 -0.121 2.531 409 HD12 ILE 58 2HD1 ILE 58 2.236 -1.521 3.525 410 HD13 ILE 58 3HD1 ILE 58 3.850 -1.368 2.831 411 HA PRO 59 HA PRO 59 2.444 5.624 7.343 412 HB2 PRO 59 2HB PRO 59 4.588 7.226 7.901 413 HB3 PRO 59 1HB PRO 59 3.935 6.021 9.015 414 HG2 PRO 59 2HG PRO 59 6.286 5.816 7.169 415 HG3 PRO 59 1HG PRO 59 6.125 5.259 8.846 416 HD2 PRO 59 2HD PRO 59 5.918 3.569 6.760 417 HD3 PRO 59 1HD PRO 59 4.955 3.358 8.237 418 H MET 60 H MET 60 4.552 5.373 4.615 419 HA MET 60 HA MET 60 4.078 8.120 3.778 420 HB2 MET 60 2HB MET 60 5.430 5.791 2.392 421 HB3 MET 60 1HB MET 60 5.328 7.424 1.746 422 HG2 MET 60 2HG MET 60 6.562 8.217 3.764 423 HG3 MET 60 1HG MET 60 6.792 6.528 4.212 424 HE1 MET 60 1HE MET 60 8.040 9.475 1.951 425 HE2 MET 60 2HE MET 60 6.901 8.610 0.918 426 HE3 MET 60 3HE MET 60 8.622 8.606 0.531 427 H ARG 61 H ARG 61 3.074 4.858 3.100 428 HA ARG 61 HA ARG 61 1.290 5.619 0.949 429 HB2 ARG 61 2HB ARG 61 1.476 2.962 2.364 430 HB3 ARG 61 1HB ARG 61 0.791 3.280 0.777 431 HG2 ARG 61 2HG ARG 61 3.690 3.546 1.538 432 HG3 ARG 61 1HG ARG 61 2.978 2.244 0.585 433 HD2 ARG 61 2HD ARG 61 2.920 5.150 -0.202 434 HD3 ARG 61 1HD ARG 61 4.138 4.001 -0.754 435 HE ARG 61 HE ARG 61 1.436 3.162 -1.261 436 HH11 ARG 61 1HH1 ARG 61 4.131 5.017 -2.449 437 HH12 ARG 61 2HH1 ARG 61 3.638 4.919 -4.106 438 HH21 ARG 61 1HH2 ARG 61 0.780 3.016 -3.441 439 HH22 ARG 61 2HH2 ARG 61 1.734 3.776 -4.671 440 H GLY 62 H GLY 62 1.130 6.088 4.124 441 HA2 GLY 62 2HA GLY 62 -0.751 6.947 5.257 442 HA3 GLY 62 1HA GLY 62 -1.791 6.117 4.109 443 H ILE 63 H ILE 63 0.635 4.057 5.173 444 HA ILE 63 HA ILE 63 -1.254 2.698 6.943 445 HB ILE 63 HB ILE 63 1.367 1.725 5.784 446 HG12 ILE 63 2HG1 ILE 63 -1.445 1.003 4.939 447 HG13 ILE 63 1HG1 ILE 63 -0.461 2.208 4.115 448 HG21 ILE 63 1HG2 ILE 63 0.814 0.557 7.824 449 HG22 ILE 63 2HG2 ILE 63 0.557 -0.510 6.443 450 HG23 ILE 63 3HG2 ILE 63 -0.822 0.251 7.241 451 HD11 ILE 63 1HD1 ILE 63 0.675 0.657 3.006 452 HD12 ILE 63 2HD1 ILE 63 -0.587 -0.462 3.521 453 HD13 ILE 63 3HD1 ILE 63 0.908 -0.330 4.448 454 H THR 64 H THR 64 -1.087 3.567 8.949 455 HA THR 64 HA THR 64 1.503 4.264 10.052 456 HB THR 64 HB THR 64 0.148 4.977 12.044 457 HG1 THR 64 1HG THR 64 -1.633 3.537 11.569 458 HG21 THR 64 1HG2 THR 64 0.632 6.387 9.882 459 HG22 THR 64 2HG2 THR 64 -0.434 6.986 11.155 460 HG23 THR 64 3HG2 THR 64 -1.118 6.270 9.695 461 H GLU 65 H GLU 65 -0.591 1.568 10.073 462 HA GLU 65 HA GLU 65 0.708 0.469 12.470 463 HB2 GLU 65 2HB GLU 65 -1.769 -0.375 10.957 464 HB3 GLU 65 1HB GLU 65 -1.057 -1.334 12.247 465 HG2 GLU 65 2HG GLU 65 -1.350 0.628 13.759 466 HG3 GLU 65 1HG GLU 65 -2.242 1.418 12.459 467 HA PRO 66 HA PRO 66 3.335 -2.039 10.025 468 HB2 PRO 66 2HB PRO 66 3.345 -4.373 11.531 469 HB3 PRO 66 1HB PRO 66 4.362 -2.964 11.846 470 HG2 PRO 66 2HG PRO 66 1.796 -3.776 13.138 471 HG3 PRO 66 1HG PRO 66 3.235 -3.037 13.864 472 HD2 PRO 66 2HD PRO 66 1.009 -1.614 13.331 473 HD3 PRO 66 1HD PRO 66 2.633 -0.907 13.192 474 H GLU 67 H GLU 67 2.794 -2.905 8.174 475 HA GLU 67 HA GLU 67 0.668 -4.933 8.082 476 HB2 GLU 67 2HB GLU 67 1.229 -2.749 6.069 477 HB3 GLU 67 1HB GLU 67 0.041 -4.024 5.863 478 HG2 GLU 67 2HG GLU 67 0.003 -1.930 8.019 479 HG3 GLU 67 1HG GLU 67 -0.979 -1.922 6.556 480 H ARG 68 H ARG 68 0.784 -6.256 6.029 481 HA ARG 68 HA ARG 68 3.370 -7.416 5.848 482 HB2 ARG 68 2HB ARG 68 2.362 -8.970 4.276 483 HB3 ARG 68 1HB ARG 68 1.335 -8.745 5.687 484 HG2 ARG 68 2HG ARG 68 -0.001 -7.108 4.338 485 HG3 ARG 68 1HG ARG 68 0.945 -7.601 2.932 486 HD2 ARG 68 2HD ARG 68 0.215 -9.934 3.315 487 HD3 ARG 68 1HD ARG 68 -0.803 -9.368 4.638 488 HE ARG 68 HE ARG 68 -1.513 -7.886 2.415 489 HH11 ARG 68 1HH1 ARG 68 -1.486 -11.237 3.358 490 HH12 ARG 68 2HH1 ARG 68 -2.851 -11.659 2.378 491 HH21 ARG 68 1HH2 ARG 68 -3.319 -8.430 1.125 492 HH22 ARG 68 2HH2 ARG 68 -3.888 -10.066 1.106 493 H VAL 69 H VAL 69 4.872 -7.354 4.337 494 HA VAL 69 HA VAL 69 4.473 -5.933 1.813 495 HB VAL 69 HB VAL 69 6.581 -4.665 2.102 496 HG11 VAL 69 1HG1 VAL 69 5.417 -2.889 2.773 497 HG12 VAL 69 2HG1 VAL 69 5.076 -3.597 4.354 498 HG13 VAL 69 3HG1 VAL 69 4.064 -4.006 2.966 499 HG21 VAL 69 1HG2 VAL 69 6.461 -5.927 4.804 500 HG22 VAL 69 2HG2 VAL 69 7.181 -4.327 4.629 501 HG23 VAL 69 3HG2 VAL 69 7.840 -5.694 3.727 502 H CYS 70 H CYS 70 6.796 -6.026 0.658 503 HA CYS 70 HA CYS 70 7.587 -8.835 0.786 504 HB2 CYS 70 2HB CYS 70 8.445 -8.606 -1.419 505 HB3 CYS 70 1HB CYS 70 6.898 -7.776 -1.408 506 HG CYS 70 HG CYS 70 9.119 -6.503 -2.523 507 H ASP 71 H ASP 71 10.136 -8.800 -0.143 508 HA ASP 71 HA ASP 71 11.534 -7.923 2.195 509 HB2 ASP 71 2HB ASP 71 12.568 -9.127 -0.380 510 HB3 ASP 71 1HB ASP 71 13.555 -8.832 1.048 511 H ALA 72 H ALA 72 11.530 -6.770 -1.173 512 HA ALA 72 HA ALA 72 13.584 -4.856 -0.755 513 HB1 ALA 72 1HB ALA 72 11.519 -4.369 -2.833 514 HB2 ALA 72 2HB ALA 72 12.502 -5.828 -2.965 515 HB3 ALA 72 3HB ALA 72 13.276 -4.243 -2.929 516 H CYS 73 H CYS 73 10.054 -4.595 -0.707 517 HA CYS 73 HA CYS 73 9.955 -1.815 -0.243 518 HB2 CYS 73 2HB CYS 73 7.948 -3.968 0.460 519 HB3 CYS 73 1HB CYS 73 7.626 -2.236 0.486 520 HG CYS 73 HG CYS 73 7.484 -3.984 -1.934 521 H TYR 74 H TYR 74 10.051 -4.609 1.927 522 HA TYR 74 HA TYR 74 9.628 -3.270 4.342 523 HB2 TYR 74 2HB TYR 74 9.701 -5.730 4.167 524 HB3 TYR 74 1HB TYR 74 11.420 -5.655 3.793 525 HD1 TYR 74 2HD TYR 74 9.446 -3.853 6.397 526 HD2 TYR 74 1HD TYR 74 12.503 -6.692 5.565 527 HE1 TYR 74 2HE TYR 74 9.963 -3.992 8.799 528 HE2 TYR 74 1HE TYR 74 13.027 -6.839 7.963 529 HH TYR 74 HH TYR 74 11.018 -5.698 10.363 530 H LEU 75 H LEU 75 12.539 -3.771 2.432 531 HA LEU 75 HA LEU 75 14.364 -2.557 4.233 532 HB2 LEU 75 2HB LEU 75 14.378 -3.371 1.380 533 HB3 LEU 75 1HB LEU 75 15.607 -2.248 1.912 534 HG LEU 75 HG LEU 75 15.152 -4.857 3.329 535 HD11 LEU 75 1HD1 LEU 75 17.426 -5.025 1.664 536 HD12 LEU 75 2HD1 LEU 75 16.071 -4.520 0.655 537 HD13 LEU 75 3HD1 LEU 75 15.957 -5.998 1.610 538 HD21 LEU 75 1HD2 LEU 75 16.794 -2.628 3.788 539 HD22 LEU 75 2HD2 LEU 75 17.853 -3.905 3.190 540 HD23 LEU 75 3HD2 LEU 75 16.841 -4.189 4.607 541 H ALA 76 H ALA 76 12.734 -1.272 1.340 542 HA ALA 76 HA ALA 76 13.932 1.235 1.379 543 HB1 ALA 76 1HB ALA 76 11.664 0.019 0.042 544 HB2 ALA 76 2HB ALA 76 12.795 1.240 -0.538 545 HB3 ALA 76 3HB ALA 76 11.383 1.723 0.403 546 H LEU 77 H LEU 77 10.970 0.158 3.012 547 HA LEU 77 HA LEU 77 10.308 2.697 4.075 548 HB2 LEU 77 2HB LEU 77 9.616 -0.090 4.993 549 HB3 LEU 77 1HB LEU 77 8.952 1.359 5.718 550 HG LEU 77 HG LEU 77 8.611 0.646 2.807 551 HD11 LEU 77 1HD1 LEU 77 6.856 -0.647 3.280 552 HD12 LEU 77 2HD1 LEU 77 6.265 0.460 4.520 553 HD13 LEU 77 3HD1 LEU 77 7.511 -0.724 4.916 554 HD21 LEU 77 1HD2 LEU 77 8.378 3.023 3.304 555 HD22 LEU 77 2HD2 LEU 77 7.214 2.654 4.575 556 HD23 LEU 77 3HD2 LEU 77 6.816 2.317 2.890 557 H ARG 78 H ARG 78 12.257 0.014 5.242 558 HA ARG 78 HA ARG 78 12.706 0.933 7.852 559 HB2 ARG 78 2HB ARG 78 14.347 -0.852 6.060 560 HB3 ARG 78 1HB ARG 78 14.697 -0.588 7.762 561 HG2 ARG 78 2HG ARG 78 12.720 -1.654 8.446 562 HG3 ARG 78 1HG ARG 78 12.041 -1.612 6.820 563 HD2 ARG 78 2HD ARG 78 12.750 -3.819 7.047 564 HD3 ARG 78 1HD ARG 78 14.069 -3.056 6.166 565 HE ARG 78 HE ARG 78 14.655 -2.879 8.884 566 HH11 ARG 78 1HH1 ARG 78 14.278 -5.317 6.425 567 HH12 ARG 78 2HH1 ARG 78 15.359 -6.436 7.187 568 HH21 ARG 78 1HH2 ARG 78 16.078 -4.346 9.895 569 HH22 ARG 78 2HH2 ARG 78 16.380 -5.884 9.160 570 H SER 79 H SER 79 13.773 2.261 4.924 571 HA SER 79 HA SER 79 16.390 3.047 5.529 572 HB2 SER 79 2HB SER 79 16.133 4.714 3.794 573 HB3 SER 79 1HB SER 79 15.296 3.248 3.284 574 HG SER 79 HG SER 79 13.943 4.975 2.908 575 H SER 80 H SER 80 13.303 4.303 6.558 576 HA SER 80 HA SER 80 14.158 6.827 7.471 577 HB2 SER 80 2HB SER 80 12.086 6.903 8.714 578 HB3 SER 80 1HB SER 80 11.772 6.143 7.155 579 HG SER 80 HG SER 80 12.054 4.884 9.678 580 H ASN 81 H ASN 81 14.363 3.631 8.836 581 HA ASN 81 HA ASN 81 15.234 4.678 11.420 582 HB2 ASN 81 2HB ASN 81 13.623 2.724 11.212 583 HB3 ASN 81 1HB ASN 81 14.987 1.776 10.624 584 HD21 ASN 81 1HD2 ASN 81 13.916 0.736 12.719 585 HD22 ASN 81 2HD2 ASN 81 14.801 1.052 14.169 586 H MET 82 H MET 82 17.310 4.981 11.863 587 HA MET 82 HA MET 82 19.335 4.049 10.019 588 HB2 MET 82 2HB MET 82 19.503 5.751 12.509 589 HB3 MET 82 1HB MET 82 20.877 5.366 11.482 590 HG2 MET 82 2HG MET 82 19.704 6.457 9.592 591 HG3 MET 82 1HG MET 82 18.429 6.936 10.711 592 HE1 MET 82 1HE MET 82 20.153 7.568 13.344 593 HE2 MET 82 2HE MET 82 18.812 8.559 12.770 594 HE3 MET 82 3HE MET 82 20.361 9.310 13.157 595 H ALA 83 H ALA 83 20.748 2.435 10.336 596 HA ALA 83 HA ALA 83 20.266 0.483 12.313 597 HB1 ALA 83 1HB ALA 83 22.918 0.501 11.019 598 HB2 ALA 83 2HB ALA 83 21.524 0.455 9.941 599 HB3 ALA 83 3HB ALA 83 21.733 -0.797 11.165 600 H GLY 84 H GLY 84 21.422 -0.098 14.153 601 HA2 GLY 84 2HA GLY 84 23.701 0.462 15.270 602 HA3 GLY 84 1HA GLY 84 23.020 2.082 15.311 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -20.136 15.899 -7.371 2 H2 GLY 1 2HT GLY 1 -21.668 15.416 -6.844 3 H3 GLY 1 3HT GLY 1 -20.351 14.367 -6.685 4 HA2 GLY 1 1HA GLY 1 -20.530 16.992 -5.319 5 HA3 GLY 1 2HA GLY 1 -21.044 15.484 -4.581 6 HA PRO 2 HA PRO 2 -16.773 16.064 -3.025 7 HB2 PRO 2 2HB PRO 2 -17.754 13.795 -1.369 8 HB3 PRO 2 1HB PRO 2 -16.918 15.270 -0.875 9 HG2 PRO 2 2HG PRO 2 -19.531 14.973 -0.444 10 HG3 PRO 2 1HG PRO 2 -18.855 16.542 -0.918 11 HD2 PRO 2 2HD PRO 2 -20.379 14.560 -2.549 12 HD3 PRO 2 1HD PRO 2 -20.413 16.335 -2.603 13 H LEU 3 H LEU 3 -14.915 14.830 -3.251 14 HA LEU 3 HA LEU 3 -15.062 12.679 -5.158 15 HB2 LEU 3 2HB LEU 3 -12.665 13.756 -3.672 16 HB3 LEU 3 1HB LEU 3 -12.625 12.703 -5.072 17 HG LEU 3 HG LEU 3 -13.590 15.563 -5.018 18 HD11 LEU 3 1HD1 LEU 3 -11.018 14.569 -5.156 19 HD12 LEU 3 2HD1 LEU 3 -11.549 16.170 -5.674 20 HD13 LEU 3 3HD1 LEU 3 -11.448 14.853 -6.842 21 HD21 LEU 3 1HD2 LEU 3 -14.890 14.831 -6.712 22 HD22 LEU 3 2HD2 LEU 3 -13.912 13.388 -6.984 23 HD23 LEU 3 3HD2 LEU 3 -13.386 14.946 -7.625 24 H GLY 4 H GLY 4 -14.419 10.527 -4.841 25 HA2 GLY 4 2HA GLY 4 -13.498 9.546 -2.334 26 HA3 GLY 4 1HA GLY 4 -15.229 9.294 -2.496 27 H SER 5 H SER 5 -14.950 7.046 -2.470 28 HA SER 5 HA SER 5 -13.245 5.598 -4.152 29 HB2 SER 5 2HB SER 5 -14.582 3.663 -3.597 30 HB3 SER 5 1HB SER 5 -14.465 4.680 -2.160 31 HG SER 5 HG SER 5 -16.659 4.262 -3.872 32 H MET 6 H MET 6 -16.186 7.256 -4.816 33 HA MET 6 HA MET 6 -17.255 5.849 -6.938 34 HB2 MET 6 2HB MET 6 -18.239 7.884 -5.878 35 HB3 MET 6 1HB MET 6 -17.056 8.858 -6.744 36 HG2 MET 6 2HG MET 6 -18.893 9.040 -8.101 37 HG3 MET 6 1HG MET 6 -18.031 7.697 -8.850 38 HE1 MET 6 1HE MET 6 -20.947 9.165 -7.613 39 HE2 MET 6 2HE MET 6 -21.308 8.197 -6.183 40 HE3 MET 6 3HE MET 6 -22.206 7.931 -7.678 41 H GLY 7 H GLY 7 -14.545 8.120 -6.929 42 HA2 GLY 7 2HA GLY 7 -14.207 7.962 -9.794 43 HA3 GLY 7 1HA GLY 7 -13.148 8.790 -8.661 44 H GLU 8 H GLU 8 -13.098 6.478 -10.881 45 HA GLU 8 HA GLU 8 -11.739 4.383 -9.472 46 HB2 GLU 8 2HB GLU 8 -13.069 3.997 -11.541 47 HB3 GLU 8 1HB GLU 8 -11.853 4.883 -12.452 48 HG2 GLU 8 2HG GLU 8 -10.171 3.223 -11.805 49 HG3 GLU 8 1HG GLU 8 -11.409 2.326 -10.926 50 H LYS 9 H LYS 9 -10.759 7.426 -10.173 51 HA LYS 9 HA LYS 9 -8.163 7.035 -11.223 52 HB2 LYS 9 2HB LYS 9 -9.121 9.242 -9.383 53 HB3 LYS 9 1HB LYS 9 -7.683 9.285 -10.395 54 HG2 LYS 9 2HG LYS 9 -10.508 9.087 -11.421 55 HG3 LYS 9 1HG LYS 9 -9.558 10.572 -11.331 56 HD2 LYS 9 2HD LYS 9 -7.858 9.490 -12.802 57 HD3 LYS 9 1HD LYS 9 -8.955 8.120 -12.983 58 HE2 LYS 9 2HE LYS 9 -10.518 10.350 -13.547 59 HE3 LYS 9 1HE LYS 9 -8.967 10.696 -14.310 60 HZ1 LYS 9 1HZ LYS 9 -10.822 9.331 -15.539 61 HZ2 LYS 9 2HZ LYS 9 -10.127 8.038 -14.700 62 HZ3 LYS 9 3HZ LYS 9 -9.183 8.966 -15.750 63 H GLN 10 H GLN 10 -9.550 6.074 -8.366 64 HA GLN 10 HA GLN 10 -7.514 6.421 -6.462 65 HB2 GLN 10 2HB GLN 10 -9.772 5.826 -5.827 66 HB3 GLN 10 1HB GLN 10 -9.680 4.330 -6.749 67 HG2 GLN 10 2HG GLN 10 -7.972 3.492 -5.222 68 HG3 GLN 10 1HG GLN 10 -8.051 4.997 -4.305 69 HE21 GLN 10 1HE2 GLN 10 -8.449 2.752 -2.938 70 HE22 GLN 10 2HE2 GLN 10 -10.114 2.549 -2.528 71 H SER 11 H SER 11 -5.794 5.129 -5.863 72 HA SER 11 HA SER 11 -5.288 2.527 -6.720 73 HB2 SER 11 2HB SER 11 -5.150 3.785 -8.953 74 HB3 SER 11 1HB SER 11 -3.649 4.473 -8.335 75 HG SER 11 HG SER 11 -3.627 2.392 -9.624 76 H LYS 12 H LYS 12 -4.877 3.115 -4.332 77 HA LYS 12 HA LYS 12 -2.578 4.518 -3.551 78 HB2 LYS 12 2HB LYS 12 -3.904 2.175 -2.171 79 HB3 LYS 12 1HB LYS 12 -2.763 3.287 -1.428 80 HG2 LYS 12 2HG LYS 12 -5.450 4.058 -2.546 81 HG3 LYS 12 1HG LYS 12 -5.093 3.787 -0.839 82 HD2 LYS 12 2HD LYS 12 -3.358 5.588 -1.009 83 HD3 LYS 12 1HD LYS 12 -3.957 5.927 -2.635 84 HE2 LYS 12 2HE LYS 12 -5.479 6.149 -0.042 85 HE3 LYS 12 1HE LYS 12 -4.979 7.466 -1.102 86 HZ1 LYS 12 1HZ LYS 12 -6.456 6.619 -2.808 87 HZ2 LYS 12 2HZ LYS 12 -7.320 6.916 -1.384 88 HZ3 LYS 12 3HZ LYS 12 -6.917 5.331 -1.813 89 H GLY 13 H GLY 13 -3.056 1.196 -4.562 90 HA2 GLY 13 2HA GLY 13 -0.181 0.918 -4.970 91 HA3 GLY 13 1HA GLY 13 -0.930 -0.229 -3.866 92 H TYR 14 H TYR 14 0.184 -0.067 -6.869 93 HA TYR 14 HA TYR 14 -2.020 -1.120 -8.355 94 HB2 TYR 14 2HB TYR 14 -0.217 0.121 -9.450 95 HB3 TYR 14 1HB TYR 14 0.927 -1.143 -9.011 96 HD1 TYR 14 1HD TYR 14 -2.048 -0.389 -11.078 97 HD2 TYR 14 2HD TYR 14 1.112 -3.130 -10.297 98 HE1 TYR 14 1HE TYR 14 -2.594 -1.599 -13.148 99 HE2 TYR 14 2HE TYR 14 0.577 -4.346 -12.367 100 HH TYR 14 HH TYR 14 -2.288 -3.652 -14.218 101 H TRP 15 H TRP 15 -2.765 -3.100 -8.257 102 HA TRP 15 HA TRP 15 -1.213 -5.218 -7.004 103 HB2 TRP 15 2HB TRP 15 -3.385 -6.529 -7.413 104 HB3 TRP 15 1HB TRP 15 -3.438 -5.205 -6.255 105 HD1 TRP 15 HD TRP 15 -4.784 -2.988 -6.982 106 HE1 TRP 15 1HE TRP 15 -6.638 -2.620 -8.729 107 HE3 TRP 15 3HE TRP 15 -4.207 -7.283 -9.696 108 HZ2 TRP 15 2HZ TRP 15 -7.713 -3.970 -10.961 109 HZ3 TRP 15 3HZ TRP 15 -5.690 -7.668 -11.622 110 HH2 TRP 15 HH TRP 15 -7.406 -6.045 -12.240 111 H GLN 16 H GLN 16 0.059 -6.495 -8.149 112 HA GLN 16 HA GLN 16 -0.131 -6.649 -11.036 113 HB2 GLN 16 2HB GLN 16 2.052 -6.568 -9.780 114 HB3 GLN 16 1HB GLN 16 1.689 -8.168 -9.151 115 HG2 GLN 16 2HG GLN 16 3.147 -8.527 -10.935 116 HG3 GLN 16 1HG GLN 16 1.550 -8.925 -11.567 117 HE21 GLN 16 1HE2 GLN 16 2.400 -8.603 -13.667 118 HE22 GLN 16 2HE2 GLN 16 2.596 -7.011 -14.309 119 H GLU 17 H GLU 17 -1.184 -8.058 -12.152 120 HA GLU 17 HA GLU 17 -2.944 -9.898 -11.064 121 HB2 GLU 17 2HB GLU 17 -1.798 -9.771 -13.850 122 HB3 GLU 17 1HB GLU 17 -3.183 -10.749 -13.385 123 HG2 GLU 17 2HG GLU 17 -4.374 -8.702 -12.717 124 HG3 GLU 17 1HG GLU 17 -2.997 -7.747 -13.267 125 H ASP 18 H ASP 18 -3.019 -12.136 -11.013 126 HA ASP 18 HA ASP 18 -0.746 -13.538 -10.152 127 HB2 ASP 18 2HB ASP 18 -3.347 -14.559 -11.296 128 HB3 ASP 18 1HB ASP 18 -2.152 -15.555 -10.470 129 H GLU 19 H GLU 19 -2.346 -13.454 -13.311 130 HA GLU 19 HA GLU 19 -0.719 -15.406 -14.528 131 HB2 GLU 19 2HB GLU 19 -2.405 -13.197 -15.703 132 HB3 GLU 19 1HB GLU 19 -1.631 -14.448 -16.663 133 HG2 GLU 19 2HG GLU 19 -2.913 -16.156 -15.480 134 HG3 GLU 19 1HG GLU 19 -3.683 -14.902 -14.508 135 H ASP 20 H ASP 20 -0.524 -11.871 -14.494 136 HA ASP 20 HA ASP 20 1.647 -11.687 -16.292 137 HB2 ASP 20 2HB ASP 20 0.717 -9.774 -14.137 138 HB3 ASP 20 1HB ASP 20 1.929 -9.387 -15.356 139 H ALA 21 H ALA 21 1.409 -12.147 -12.852 140 HA ALA 21 HA ALA 21 4.349 -12.235 -12.646 141 HB1 ALA 21 1HB ALA 21 2.854 -12.291 -10.134 142 HB2 ALA 21 2HB ALA 21 2.581 -10.837 -11.094 143 HB3 ALA 21 3HB ALA 21 4.219 -11.287 -10.620 144 HA PRO 22 HA PRO 22 2.953 -16.648 -12.318 145 HB2 PRO 22 2HB PRO 22 4.860 -17.667 -13.938 146 HB3 PRO 22 1HB PRO 22 3.352 -16.984 -14.556 147 HG2 PRO 22 2HG PRO 22 6.067 -15.738 -14.398 148 HG3 PRO 22 1HG PRO 22 4.889 -15.688 -15.723 149 HD2 PRO 22 2HD PRO 22 5.222 -13.649 -13.949 150 HD3 PRO 22 1HD PRO 22 3.674 -14.001 -14.743 151 H ALA 23 H ALA 23 5.817 -14.891 -11.725 152 HA ALA 23 HA ALA 23 6.707 -16.935 -9.808 153 HB1 ALA 23 1HB ALA 23 8.103 -16.972 -11.911 154 HB2 ALA 23 2HB ALA 23 8.993 -16.696 -10.413 155 HB3 ALA 23 3HB ALA 23 8.636 -15.344 -11.489 156 H CYS 24 H CYS 24 7.928 -16.058 -7.997 157 HA CYS 24 HA CYS 24 6.835 -13.697 -6.986 158 HB2 CYS 24 2HB CYS 24 7.922 -15.683 -5.752 159 HB3 CYS 24 1HB CYS 24 9.442 -14.838 -6.021 160 HG CYS 24 HG CYS 24 8.202 -14.279 -3.673 161 H ASN 25 H ASN 25 7.299 -11.658 -7.279 162 HA ASN 25 HA ASN 25 9.241 -10.731 -9.075 163 HB2 ASN 25 2HB ASN 25 7.618 -9.320 -6.954 164 HB3 ASN 25 1HB ASN 25 8.665 -8.469 -8.086 165 HD21 ASN 25 1HD2 ASN 25 8.215 -8.735 -10.369 166 HD22 ASN 25 2HD2 ASN 25 6.584 -8.978 -10.883 167 H GLY 26 H GLY 26 9.379 -11.387 -5.664 168 HA2 GLY 26 2HA GLY 26 11.773 -9.805 -5.272 169 HA3 GLY 26 1HA GLY 26 10.943 -10.761 -4.061 170 H CYS 27 H CYS 27 11.051 -13.301 -4.874 171 HA CYS 27 HA CYS 27 13.945 -13.764 -5.027 172 HB2 CYS 27 2HB CYS 27 13.540 -15.895 -3.949 173 HB3 CYS 27 1HB CYS 27 12.776 -14.608 -3.025 174 HG CYS 27 HG CYS 27 10.471 -15.410 -4.087 175 H GLY 28 H GLY 28 11.396 -13.835 -7.130 176 HA2 GLY 28 2HA GLY 28 11.261 -14.682 -9.255 177 HA3 GLY 28 1HA GLY 28 12.890 -15.301 -9.047 178 H CYS 29 H CYS 29 10.914 -16.436 -6.569 179 HA CYS 29 HA CYS 29 11.036 -19.100 -7.572 180 HB2 CYS 29 2HB CYS 29 10.074 -19.792 -5.543 181 HB3 CYS 29 1HB CYS 29 11.020 -18.372 -5.113 182 HG CYS 29 HG CYS 29 8.510 -18.443 -4.086 183 H VAL 30 H VAL 30 9.421 -20.424 -8.352 184 HA VAL 30 HA VAL 30 7.307 -19.036 -9.741 185 HB VAL 30 HB VAL 30 7.362 -21.988 -9.762 186 HG11 VAL 30 1HG1 VAL 30 7.327 -21.244 -12.319 187 HG12 VAL 30 2HG1 VAL 30 6.737 -19.750 -11.589 188 HG13 VAL 30 3HG1 VAL 30 5.878 -21.265 -11.313 189 HG21 VAL 30 1HG2 VAL 30 9.688 -21.766 -9.802 190 HG22 VAL 30 2HG2 VAL 30 9.622 -20.281 -10.752 191 HG23 VAL 30 3HG2 VAL 30 9.240 -21.828 -11.507 192 H PHE 31 H PHE 31 5.155 -19.143 -9.396 193 HA PHE 31 HA PHE 31 4.278 -20.090 -6.808 194 HB2 PHE 31 2HB PHE 31 2.815 -18.679 -9.047 195 HB3 PHE 31 1HB PHE 31 2.057 -19.156 -7.531 196 HD1 PHE 31 1HD PHE 31 2.788 -18.118 -5.408 197 HD2 PHE 31 2HD PHE 31 4.179 -16.750 -9.189 198 HE1 PHE 31 1HE PHE 31 3.514 -16.007 -4.372 199 HE2 PHE 31 2HE PHE 31 4.910 -14.636 -8.160 200 HZ PHE 31 HZ PHE 31 4.577 -14.265 -5.748 201 H THR 32 H THR 32 3.145 -21.829 -6.386 202 HA THR 32 HA THR 32 2.166 -23.474 -8.620 203 HB THR 32 HB THR 32 2.933 -25.477 -7.567 204 HG1 THR 32 1HG THR 32 4.006 -25.406 -5.558 205 HG21 THR 32 1HG2 THR 32 4.698 -23.662 -8.553 206 HG22 THR 32 2HG2 THR 32 5.089 -25.321 -8.100 207 HG23 THR 32 3HG2 THR 32 5.377 -24.005 -6.962 208 H THR 33 H THR 33 0.607 -25.189 -7.818 209 HA THR 33 HA THR 33 -1.691 -24.095 -6.847 210 HB THR 33 HB THR 33 -0.793 -26.939 -6.370 211 HG1 THR 33 1HG THR 33 -1.634 -27.358 -8.379 212 HG21 THR 33 1HG2 THR 33 -2.894 -27.519 -5.874 213 HG22 THR 33 2HG2 THR 33 -3.591 -26.371 -7.018 214 HG23 THR 33 3HG2 THR 33 -3.064 -25.822 -5.427 215 H THR 34 H THR 34 0.933 -25.496 -4.913 216 HA THR 34 HA THR 34 -0.550 -25.190 -2.478 217 HB THR 34 HB THR 34 1.461 -25.951 -1.350 218 HG1 THR 34 1HG THR 34 2.738 -25.700 -3.869 219 HG21 THR 34 1HG2 THR 34 0.312 -27.781 -2.262 220 HG22 THR 34 2HG2 THR 34 2.005 -28.016 -2.693 221 HG23 THR 34 3HG2 THR 34 0.864 -27.416 -3.896 222 H VAL 35 H VAL 35 1.670 -23.143 -4.275 223 HA VAL 35 HA VAL 35 1.914 -21.378 -1.954 224 HB VAL 35 HB VAL 35 3.188 -21.184 -4.678 225 HG11 VAL 35 1HG1 VAL 35 2.780 -18.983 -3.690 226 HG12 VAL 35 2HG1 VAL 35 4.501 -19.357 -3.756 227 HG13 VAL 35 3HG1 VAL 35 3.628 -19.486 -2.229 228 HG21 VAL 35 1HG2 VAL 35 5.047 -21.402 -2.534 229 HG22 VAL 35 2HG2 VAL 35 4.797 -22.498 -3.894 230 HG23 VAL 35 3HG2 VAL 35 3.877 -22.716 -2.404 231 H ARG 36 H ARG 36 0.363 -20.015 -1.644 232 HA ARG 36 HA ARG 36 -1.405 -19.106 -3.730 233 HB2 ARG 36 2HB ARG 36 -1.176 -18.293 -0.827 234 HB3 ARG 36 1HB ARG 36 -2.456 -17.781 -1.919 235 HG2 ARG 36 2HG ARG 36 -3.109 -20.144 -2.205 236 HG3 ARG 36 1HG ARG 36 -1.885 -20.595 -1.016 237 HD2 ARG 36 2HD ARG 36 -3.927 -20.480 0.164 238 HD3 ARG 36 1HD ARG 36 -3.043 -19.012 0.582 239 HE ARG 36 HE ARG 36 -5.470 -19.206 -1.008 240 HH11 ARG 36 1HH1 ARG 36 -2.838 -17.216 0.119 241 HH12 ARG 36 2HH1 ARG 36 -3.662 -15.728 -0.199 242 HH21 ARG 36 1HH2 ARG 36 -6.557 -17.248 -1.431 243 HH22 ARG 36 2HH2 ARG 36 -5.771 -15.743 -1.082 244 H ARG 37 H ARG 37 -1.676 -16.966 -4.436 245 HA ARG 37 HA ARG 37 0.814 -15.452 -4.412 246 HB2 ARG 37 2HB ARG 37 -1.676 -15.303 -6.078 247 HB3 ARG 37 1HB ARG 37 -0.537 -13.965 -6.051 248 HG2 ARG 37 2HG ARG 37 1.243 -15.505 -6.776 249 HG3 ARG 37 1HG ARG 37 0.048 -16.797 -6.880 250 HD2 ARG 37 2HD ARG 37 -1.221 -15.412 -8.505 251 HD3 ARG 37 1HD ARG 37 0.090 -14.234 -8.466 252 HE ARG 37 HE ARG 37 1.273 -15.589 -9.867 253 HH11 ARG 37 1HH1 ARG 37 -1.230 -17.459 -8.336 254 HH12 ARG 37 2HH1 ARG 37 -0.910 -18.889 -9.259 255 HH21 ARG 37 1HH2 ARG 37 1.711 -17.466 -11.089 256 HH22 ARG 37 2HH2 ARG 37 0.764 -18.892 -10.829 257 H HIS 38 H HIS 38 1.046 -13.399 -3.678 258 HA HIS 38 HA HIS 38 -1.223 -12.150 -2.319 259 HB2 HIS 38 2HB HIS 38 1.486 -12.603 -1.046 260 HB3 HIS 38 1HB HIS 38 0.180 -11.651 -0.350 261 HD1 HIS 38 1HD HIS 38 -2.014 -13.026 0.325 262 HD2 HIS 38 2HD HIS 38 1.366 -15.290 -0.524 263 HE1 HIS 38 1HE HIS 38 -2.470 -15.303 1.290 264 HE2 HIS 38 2HE HIS 38 -0.399 -16.648 0.791 265 H HIS 39 H HIS 39 -0.722 -9.858 -1.714 266 HA HIS 39 HA HIS 39 1.172 -8.701 -3.658 267 HB2 HIS 39 2HB HIS 39 -1.489 -7.571 -2.767 268 HB3 HIS 39 1HB HIS 39 -0.362 -6.785 -3.869 269 HD1 HIS 39 1HD HIS 39 -3.004 -9.373 -3.710 270 HD2 HIS 39 2HD HIS 39 -0.213 -7.972 -6.453 271 HE1 HIS 39 1HE HIS 39 -3.712 -10.315 -5.932 272 HE2 HIS 39 2HE HIS 39 -2.082 -9.351 -7.593 273 H CYS 40 H CYS 40 2.418 -6.962 -3.025 274 HA CYS 40 HA CYS 40 2.655 -6.550 -0.145 275 HB2 CYS 40 2HB CYS 40 4.730 -7.012 -1.280 276 HB3 CYS 40 1HB CYS 40 4.382 -5.817 -2.521 277 HG CYS 40 HG CYS 40 6.126 -4.970 -0.670 278 H ARG 41 H ARG 41 2.155 -4.648 0.822 279 HA ARG 41 HA ARG 41 0.357 -2.908 -0.494 280 HB2 ARG 41 2HB ARG 41 1.734 -2.610 2.178 281 HB3 ARG 41 1HB ARG 41 0.354 -1.664 1.636 282 HG2 ARG 41 2HG ARG 41 0.320 -4.657 1.937 283 HG3 ARG 41 1HG ARG 41 -0.200 -3.529 3.190 284 HD2 ARG 41 2HD ARG 41 -1.350 -3.613 0.406 285 HD3 ARG 41 1HD ARG 41 -2.049 -4.457 1.787 286 HE ARG 41 HE ARG 41 -1.663 -1.659 2.263 287 HH11 ARG 41 1HH1 ARG 41 -3.788 -4.035 0.862 288 HH12 ARG 41 2HH1 ARG 41 -5.204 -3.051 1.019 289 HH21 ARG 41 1HH2 ARG 41 -3.522 -0.353 2.475 290 HH22 ARG 41 2HH2 ARG 41 -5.053 -0.960 1.938 291 H ASN 42 H ASN 42 3.683 -2.961 -0.604 292 HA ASN 42 HA ASN 42 3.917 -0.060 -0.881 293 HB2 ASN 42 2HB ASN 42 5.974 -2.228 -0.504 294 HB3 ASN 42 1HB ASN 42 6.403 -0.567 -0.896 295 HD21 ASN 42 1HD2 ASN 42 6.358 -2.587 1.550 296 HD22 ASN 42 2HD2 ASN 42 5.961 -1.530 2.856 297 H CYS 43 H CYS 43 5.518 -2.785 -2.538 298 HA CYS 43 HA CYS 43 5.729 -1.225 -4.924 299 HB2 CYS 43 2HB CYS 43 6.834 -3.182 -5.882 300 HB3 CYS 43 1HB CYS 43 7.489 -2.797 -4.297 301 HG CYS 43 HG CYS 43 6.363 -5.425 -5.066 302 H GLY 44 H GLY 44 3.482 -3.570 -3.723 303 HA2 GLY 44 2HA GLY 44 1.409 -4.145 -4.559 304 HA3 GLY 44 1HA GLY 44 1.693 -3.041 -5.895 305 H TYR 45 H TYR 45 4.007 -5.524 -5.223 306 HA TYR 45 HA TYR 45 3.222 -6.872 -7.708 307 HB2 TYR 45 2HB TYR 45 5.834 -7.061 -6.199 308 HB3 TYR 45 1HB TYR 45 5.482 -7.779 -7.765 309 HD1 TYR 45 2HD TYR 45 4.106 -5.558 -9.138 310 HD2 TYR 45 1HD TYR 45 7.535 -5.531 -6.620 311 HE1 TYR 45 2HE TYR 45 4.905 -3.519 -10.258 312 HE2 TYR 45 1HE TYR 45 8.344 -3.492 -7.731 313 HH TYR 45 HH TYR 45 6.373 -1.724 -9.991 314 H VAL 46 H VAL 46 3.507 -9.220 -7.780 315 HA VAL 46 HA VAL 46 2.152 -10.395 -5.538 316 HB VAL 46 HB VAL 46 3.244 -11.797 -7.982 317 HG11 VAL 46 1HG1 VAL 46 1.149 -12.757 -6.040 318 HG12 VAL 46 2HG1 VAL 46 2.845 -13.230 -5.968 319 HG13 VAL 46 3HG1 VAL 46 1.868 -13.658 -7.374 320 HG21 VAL 46 1HG2 VAL 46 1.443 -9.955 -8.231 321 HG22 VAL 46 2HG2 VAL 46 0.362 -11.143 -7.504 322 HG23 VAL 46 3HG2 VAL 46 1.187 -11.512 -9.019 323 H LEU 47 H LEU 47 2.970 -11.502 -3.879 324 HA LEU 47 HA LEU 47 5.740 -12.489 -4.043 325 HB2 LEU 47 2HB LEU 47 4.471 -10.964 -1.761 326 HB3 LEU 47 1HB LEU 47 5.958 -11.871 -1.602 327 HG LEU 47 HG LEU 47 6.255 -9.421 -1.838 328 HD11 LEU 47 1HD1 LEU 47 7.487 -11.342 -3.754 329 HD12 LEU 47 2HD1 LEU 47 8.173 -10.602 -2.310 330 HD13 LEU 47 3HD1 LEU 47 7.947 -9.641 -3.771 331 HD21 LEU 47 1HD2 LEU 47 5.838 -9.502 -4.738 332 HD22 LEU 47 2HD2 LEU 47 5.524 -8.214 -3.574 333 HD23 LEU 47 3HD2 LEU 47 4.372 -9.536 -3.759 334 H CYS 48 H CYS 48 6.046 -14.495 -3.145 335 HA CYS 48 HA CYS 48 3.714 -16.011 -2.438 336 HB2 CYS 48 2HB CYS 48 5.130 -17.906 -2.379 337 HB3 CYS 48 1HB CYS 48 5.812 -16.889 -3.644 338 HG CYS 48 HG CYS 48 7.678 -16.181 -1.904 339 H GLY 49 H GLY 49 4.000 -17.464 -0.293 340 HA2 GLY 49 2HA GLY 49 3.653 -15.763 1.863 341 HA3 GLY 49 1HA GLY 49 4.069 -17.464 2.007 342 H ASP 50 H ASP 50 6.546 -17.680 1.098 343 HA ASP 50 HA ASP 50 8.165 -16.811 3.176 344 HB2 ASP 50 2HB ASP 50 8.800 -17.795 0.405 345 HB3 ASP 50 1HB ASP 50 10.073 -17.336 1.530 346 H CYS 51 H CYS 51 7.501 -15.254 0.127 347 HA CYS 51 HA CYS 51 9.506 -13.211 0.615 348 HB2 CYS 51 2HB CYS 51 7.806 -14.006 -1.682 349 HB3 CYS 51 1HB CYS 51 8.269 -12.309 -1.584 350 HG CYS 51 HG CYS 51 10.814 -13.274 -1.476 351 H SER 52 H SER 52 6.434 -13.751 1.676 352 HA SER 52 HA SER 52 6.000 -10.887 2.118 353 HB2 SER 52 2HB SER 52 3.658 -11.066 1.704 354 HB3 SER 52 1HB SER 52 4.451 -11.850 0.338 355 HG SER 52 HG SER 52 3.197 -13.461 0.846 356 H ARG 53 H ARG 53 7.230 -13.048 3.686 357 HA ARG 53 HA ARG 53 5.345 -13.657 5.786 358 HB2 ARG 53 2HB ARG 53 8.263 -14.264 5.388 359 HB3 ARG 53 1HB ARG 53 7.477 -14.560 6.932 360 HG2 ARG 53 2HG ARG 53 5.827 -15.992 5.704 361 HG3 ARG 53 1HG ARG 53 6.851 -15.818 4.279 362 HD2 ARG 53 2HD ARG 53 8.743 -16.744 5.565 363 HD3 ARG 53 1HD ARG 53 7.655 -17.004 6.929 364 HE ARG 53 HE ARG 53 7.882 -18.612 4.568 365 HH11 ARG 53 1HH1 ARG 53 5.737 -17.602 7.121 366 HH12 ARG 53 2HH1 ARG 53 4.731 -19.007 7.005 367 HH21 ARG 53 1HH2 ARG 53 6.565 -20.468 4.413 368 HH22 ARG 53 2HH2 ARG 53 5.201 -20.634 5.467 369 H HIS 54 H HIS 54 7.553 -11.105 5.069 370 HA HIS 54 HA HIS 54 7.991 -10.342 7.794 371 HB2 HIS 54 2HB HIS 54 8.460 -8.868 5.197 372 HB3 HIS 54 1HB HIS 54 8.924 -8.248 6.772 373 HD1 HIS 54 1HD HIS 54 10.595 -10.050 8.122 374 HD2 HIS 54 2HD HIS 54 10.462 -10.188 3.974 375 HE1 HIS 54 1HE HIS 54 12.712 -11.212 7.421 376 HE2 HIS 54 2HE HIS 54 12.560 -11.372 4.910 377 H ARG 55 H ARG 55 7.395 -8.177 8.579 378 HA ARG 55 HA ARG 55 4.890 -7.147 7.497 379 HB2 ARG 55 2HB ARG 55 5.263 -7.897 10.403 380 HB3 ARG 55 1HB ARG 55 3.862 -7.077 9.722 381 HG2 ARG 55 2HG ARG 55 3.472 -9.056 8.280 382 HG3 ARG 55 1HG ARG 55 4.780 -9.879 9.134 383 HD2 ARG 55 2HD ARG 55 2.216 -8.835 10.325 384 HD3 ARG 55 1HD ARG 55 2.650 -10.526 10.075 385 HE ARG 55 HE ARG 55 3.593 -8.768 12.177 386 HH11 ARG 55 1HH1 ARG 55 4.052 -11.763 10.455 387 HH12 ARG 55 2HH1 ARG 55 4.922 -12.521 11.747 388 HH21 ARG 55 1HH2 ARG 55 4.739 -9.755 13.880 389 HH22 ARG 55 2HH2 ARG 55 5.315 -11.378 13.693 390 H ALA 56 H ALA 56 4.745 -4.990 7.593 391 HA ALA 56 HA ALA 56 6.270 -3.426 9.491 392 HB1 ALA 56 1HB ALA 56 7.742 -2.332 8.012 393 HB2 ALA 56 2HB ALA 56 6.948 -3.015 6.592 394 HB3 ALA 56 3HB ALA 56 7.897 -4.052 7.656 395 H ALA 57 H ALA 57 5.742 -1.173 9.484 396 HA ALA 57 HA ALA 57 3.112 -0.649 8.361 397 HB1 ALA 57 1HB ALA 57 3.366 -0.027 10.655 398 HB2 ALA 57 2HB ALA 57 3.299 1.463 9.714 399 HB3 ALA 57 3HB ALA 57 4.848 0.865 10.309 400 H ILE 58 H ILE 58 2.698 1.202 7.021 401 HA ILE 58 HA ILE 58 5.092 2.296 5.714 402 HB ILE 58 HB ILE 58 2.564 1.851 4.177 403 HG12 ILE 58 2HG1 ILE 58 4.718 -0.225 4.637 404 HG13 ILE 58 1HG1 ILE 58 3.064 -0.315 5.230 405 HG21 ILE 58 1HG2 ILE 58 4.058 1.774 2.297 406 HG22 ILE 58 2HG2 ILE 58 5.463 1.773 3.363 407 HG23 ILE 58 3HG2 ILE 58 4.430 3.199 3.266 408 HD11 ILE 58 1HD1 ILE 58 3.218 0.072 2.352 409 HD12 ILE 58 2HD1 ILE 58 2.313 -1.113 3.295 410 HD13 ILE 58 3HD1 ILE 58 4.007 -1.405 2.904 411 HA PRO 59 HA PRO 59 2.369 5.641 7.443 412 HB2 PRO 59 2HB PRO 59 4.489 7.233 8.148 413 HB3 PRO 59 1HB PRO 59 3.738 6.040 9.211 414 HG2 PRO 59 2HG PRO 59 6.220 5.811 7.560 415 HG3 PRO 59 1HG PRO 59 5.908 5.228 9.206 416 HD2 PRO 59 2HD PRO 59 5.859 3.578 7.078 417 HD3 PRO 59 1HD PRO 59 4.771 3.355 8.462 418 H MET 60 H MET 60 4.563 5.390 4.831 419 HA MET 60 HA MET 60 4.083 8.150 3.992 420 HB2 MET 60 2HB MET 60 5.716 5.925 2.738 421 HB3 MET 60 1HB MET 60 5.594 7.565 2.116 422 HG2 MET 60 2HG MET 60 6.590 8.400 4.212 423 HG3 MET 60 1HG MET 60 6.781 6.735 4.754 424 HE1 MET 60 1HE MET 60 9.141 8.549 4.892 425 HE2 MET 60 2HE MET 60 10.458 7.804 3.985 426 HE3 MET 60 3HE MET 60 9.476 6.827 5.076 427 H ARG 61 H ARG 61 3.378 4.839 3.268 428 HA ARG 61 HA ARG 61 1.710 5.485 0.973 429 HB2 ARG 61 2HB ARG 61 2.304 2.827 2.277 430 HB3 ARG 61 1HB ARG 61 1.472 3.064 0.743 431 HG2 ARG 61 2HG ARG 61 3.616 4.299 0.021 432 HG3 ARG 61 1HG ARG 61 4.359 3.502 1.402 433 HD2 ARG 61 2HD ARG 61 4.765 2.095 -0.442 434 HD3 ARG 61 1HD ARG 61 3.456 1.332 0.463 435 HE ARG 61 HE ARG 61 2.147 1.571 -1.383 436 HH11 ARG 61 1HH1 ARG 61 4.710 3.920 -1.526 437 HH12 ARG 61 2HH1 ARG 61 4.222 4.554 -3.064 438 HH21 ARG 61 1HH2 ARG 61 1.483 2.404 -3.406 439 HH22 ARG 61 2HH2 ARG 61 2.384 3.693 -4.131 440 H GLY 62 H GLY 62 0.989 6.370 3.707 441 HA2 GLY 62 2HA GLY 62 -0.986 6.713 4.834 442 HA3 GLY 62 1HA GLY 62 -1.794 5.847 3.540 443 H ILE 63 H ILE 63 0.765 4.255 5.281 444 HA ILE 63 HA ILE 63 -1.272 2.658 6.693 445 HB ILE 63 HB ILE 63 1.406 1.737 5.631 446 HG12 ILE 63 2HG1 ILE 63 -1.385 1.024 4.703 447 HG13 ILE 63 1HG1 ILE 63 -0.330 2.176 3.892 448 HG21 ILE 63 1HG2 ILE 63 0.503 -0.540 6.220 449 HG22 ILE 63 2HG2 ILE 63 -0.761 0.289 7.133 450 HG23 ILE 63 3HG2 ILE 63 0.930 0.491 7.587 451 HD11 ILE 63 1HD1 ILE 63 1.007 0.553 3.035 452 HD12 ILE 63 2HD1 ILE 63 -0.515 -0.335 3.121 453 HD13 ILE 63 3HD1 ILE 63 0.710 -0.558 4.370 454 H THR 64 H THR 64 -1.223 3.411 8.754 455 HA THR 64 HA THR 64 1.328 4.129 9.964 456 HB THR 64 HB THR 64 -0.051 4.918 11.868 457 HG1 THR 64 1HG THR 64 -2.324 4.465 10.279 458 HG21 THR 64 1HG2 THR 64 0.447 6.360 9.852 459 HG22 THR 64 2HG2 THR 64 -0.925 6.836 10.853 460 HG23 THR 64 3HG2 THR 64 -1.199 6.004 9.323 461 H GLU 65 H GLU 65 -0.872 1.489 9.944 462 HA GLU 65 HA GLU 65 0.346 0.363 12.364 463 HB2 GLU 65 2HB GLU 65 -2.140 -0.316 10.802 464 HB3 GLU 65 1HB GLU 65 -1.454 -1.442 11.966 465 HG2 GLU 65 2HG GLU 65 -1.672 0.282 13.714 466 HG3 GLU 65 1HG GLU 65 -2.438 1.345 12.535 467 HA PRO 66 HA PRO 66 3.137 -2.029 9.972 468 HB2 PRO 66 2HB PRO 66 2.547 -4.231 11.897 469 HB3 PRO 66 1HB PRO 66 4.105 -3.549 11.423 470 HG2 PRO 66 2HG PRO 66 3.006 -2.973 13.792 471 HG3 PRO 66 1HG PRO 66 3.914 -1.759 12.875 472 HD2 PRO 66 2HD PRO 66 0.972 -2.038 13.258 473 HD3 PRO 66 1HD PRO 66 1.955 -0.571 13.083 474 H GLU 67 H GLU 67 2.673 -2.903 8.091 475 HA GLU 67 HA GLU 67 0.563 -4.944 7.937 476 HB2 GLU 67 2HB GLU 67 1.176 -2.767 5.931 477 HB3 GLU 67 1HB GLU 67 0.031 -4.071 5.669 478 HG2 GLU 67 2HG GLU 67 -1.241 -3.256 7.651 479 HG3 GLU 67 1HG GLU 67 -0.154 -1.870 7.702 480 H ARG 68 H ARG 68 0.739 -6.275 5.913 481 HA ARG 68 HA ARG 68 3.323 -7.459 5.818 482 HB2 ARG 68 2HB ARG 68 2.310 -9.001 4.195 483 HB3 ARG 68 1HB ARG 68 1.357 -8.826 5.660 484 HG2 ARG 68 2HG ARG 68 -0.072 -7.176 4.415 485 HG3 ARG 68 1HG ARG 68 0.795 -7.647 2.951 486 HD2 ARG 68 2HD ARG 68 -1.136 -8.976 2.956 487 HD3 ARG 68 1HD ARG 68 0.143 -10.040 3.536 488 HE ARG 68 HE ARG 68 -1.309 -8.707 5.633 489 HH11 ARG 68 1HH1 ARG 68 -1.182 -11.481 3.535 490 HH12 ARG 68 2HH1 ARG 68 -2.148 -12.475 4.574 491 HH21 ARG 68 1HH2 ARG 68 -2.583 -10.006 7.011 492 HH22 ARG 68 2HH2 ARG 68 -2.943 -11.636 6.551 493 H VAL 69 H VAL 69 4.836 -7.489 4.298 494 HA VAL 69 HA VAL 69 4.499 -6.095 1.750 495 HB VAL 69 HB VAL 69 6.603 -4.849 2.034 496 HG11 VAL 69 1HG1 VAL 69 5.683 -3.184 3.751 497 HG12 VAL 69 2HG1 VAL 69 4.310 -4.281 3.878 498 HG13 VAL 69 3HG1 VAL 69 4.700 -3.532 2.328 499 HG21 VAL 69 1HG2 VAL 69 7.319 -4.508 4.486 500 HG22 VAL 69 2HG2 VAL 69 7.823 -5.985 3.664 501 HG23 VAL 69 3HG2 VAL 69 6.467 -6.020 4.792 502 H CYS 70 H CYS 70 6.816 -6.249 0.618 503 HA CYS 70 HA CYS 70 7.538 -9.071 0.746 504 HB2 CYS 70 2HB CYS 70 8.303 -8.908 -1.445 505 HB3 CYS 70 1HB CYS 70 6.958 -7.778 -1.440 506 HG CYS 70 HG CYS 70 9.646 -7.066 -2.283 507 H ASP 71 H ASP 71 10.156 -8.864 -0.301 508 HA ASP 71 HA ASP 71 11.517 -8.140 2.150 509 HB2 ASP 71 2HB ASP 71 12.567 -9.337 -0.426 510 HB3 ASP 71 1HB ASP 71 13.534 -9.084 1.024 511 H ALA 72 H ALA 72 11.574 -6.978 -1.210 512 HA ALA 72 HA ALA 72 13.646 -5.094 -0.758 513 HB1 ALA 72 1HB ALA 72 12.358 -6.037 -2.971 514 HB2 ALA 72 2HB ALA 72 13.488 -4.682 -2.948 515 HB3 ALA 72 3HB ALA 72 11.750 -4.385 -2.862 516 H CYS 73 H CYS 73 10.117 -4.754 -0.788 517 HA CYS 73 HA CYS 73 10.056 -1.978 -0.340 518 HB2 CYS 73 2HB CYS 73 7.981 -4.031 0.465 519 HB3 CYS 73 1HB CYS 73 7.721 -2.299 0.264 520 HG CYS 73 HG CYS 73 8.341 -2.766 -2.344 521 H TYR 74 H TYR 74 10.076 -4.747 1.853 522 HA TYR 74 HA TYR 74 9.643 -3.368 4.245 523 HB2 TYR 74 2HB TYR 74 9.687 -5.848 4.056 524 HB3 TYR 74 1HB TYR 74 11.428 -5.780 3.808 525 HD1 TYR 74 1HD TYR 74 8.719 -5.370 6.256 526 HD2 TYR 74 2HD TYR 74 12.931 -5.384 5.655 527 HE1 TYR 74 1HE TYR 74 9.062 -5.493 8.689 528 HE2 TYR 74 2HE TYR 74 13.284 -5.506 8.085 529 HH TYR 74 HH TYR 74 10.922 -6.334 10.250 530 H LEU 75 H LEU 75 12.549 -3.920 2.349 531 HA LEU 75 HA LEU 75 14.343 -2.702 4.198 532 HB2 LEU 75 2HB LEU 75 14.492 -3.720 1.417 533 HB3 LEU 75 1HB LEU 75 15.730 -2.594 1.934 534 HG LEU 75 HG LEU 75 15.105 -5.048 3.548 535 HD11 LEU 75 1HD1 LEU 75 15.931 -6.385 1.989 536 HD12 LEU 75 2HD1 LEU 75 17.434 -5.463 1.999 537 HD13 LEU 75 3HD1 LEU 75 16.132 -5.016 0.896 538 HD21 LEU 75 1HD2 LEU 75 16.552 -3.011 4.294 539 HD22 LEU 75 2HD2 LEU 75 17.769 -3.730 3.238 540 HD23 LEU 75 3HD2 LEU 75 17.120 -4.653 4.595 541 H ALA 76 H ALA 76 13.045 -1.566 1.063 542 HA ALA 76 HA ALA 76 14.288 0.881 0.988 543 HB1 ALA 76 1HB ALA 76 12.454 1.655 -0.447 544 HB2 ALA 76 2HB ALA 76 11.481 0.271 0.054 545 HB3 ALA 76 3HB ALA 76 12.960 0.020 -0.873 546 H LEU 77 H LEU 77 11.196 0.092 2.551 547 HA LEU 77 HA LEU 77 10.786 2.709 3.588 548 HB2 LEU 77 2HB LEU 77 9.773 0.031 4.561 549 HB3 LEU 77 1HB LEU 77 9.223 1.579 5.168 550 HG LEU 77 HG LEU 77 8.941 0.730 2.288 551 HD11 LEU 77 1HD1 LEU 77 7.664 -0.803 3.600 552 HD12 LEU 77 2HD1 LEU 77 6.556 0.364 2.887 553 HD13 LEU 77 3HD1 LEU 77 7.007 0.505 4.584 554 HD21 LEU 77 1HD2 LEU 77 7.842 3.014 3.915 555 HD22 LEU 77 2HD2 LEU 77 7.170 2.535 2.355 556 HD23 LEU 77 3HD2 LEU 77 8.841 3.094 2.465 557 H ARG 78 H ARG 78 12.257 -0.237 4.751 558 HA ARG 78 HA ARG 78 12.918 0.443 7.349 559 HB2 ARG 78 2HB ARG 78 13.127 -1.811 6.413 560 HB3 ARG 78 1HB ARG 78 14.442 -1.273 5.382 561 HG2 ARG 78 2HG ARG 78 15.701 -0.703 7.481 562 HG3 ARG 78 1HG ARG 78 14.426 -1.543 8.362 563 HD2 ARG 78 2HD ARG 78 14.871 -3.555 6.969 564 HD3 ARG 78 1HD ARG 78 16.243 -2.704 6.261 565 HE ARG 78 HE ARG 78 16.657 -2.586 8.963 566 HH11 ARG 78 1HH1 ARG 78 16.199 -5.126 6.620 567 HH12 ARG 78 2HH1 ARG 78 17.147 -6.280 7.498 568 HH21 ARG 78 1HH2 ARG 78 17.900 -4.094 10.124 569 HH22 ARG 78 2HH2 ARG 78 18.113 -5.693 9.493 570 H SER 79 H SER 79 14.201 1.661 4.387 571 HA SER 79 HA SER 79 16.578 2.678 5.774 572 HB2 SER 79 2HB SER 79 15.955 2.604 2.812 573 HB3 SER 79 1HB SER 79 17.458 3.182 3.531 574 HG SER 79 HG SER 79 18.036 1.171 3.992 575 H SER 80 H SER 80 17.120 4.887 5.672 576 HA SER 80 HA SER 80 14.993 6.706 4.786 577 HB2 SER 80 2HB SER 80 15.109 7.993 6.819 578 HB3 SER 80 1HB SER 80 14.842 6.308 7.266 579 HG SER 80 HG SER 80 17.365 6.429 7.275 580 H ASN 81 H ASN 81 15.755 8.960 4.544 581 HA ASN 81 HA ASN 81 18.413 8.966 3.377 582 HB2 ASN 81 2HB ASN 81 16.219 11.045 3.397 583 HB3 ASN 81 1HB ASN 81 17.763 11.244 2.576 584 HD21 ASN 81 1HD2 ASN 81 15.457 11.443 1.166 585 HD22 ASN 81 2HD2 ASN 81 15.280 10.081 0.117 586 H MET 82 H MET 82 20.155 9.983 4.154 587 HA MET 82 HA MET 82 20.325 10.706 6.852 588 HB2 MET 82 2HB MET 82 22.150 11.359 4.534 589 HB3 MET 82 1HB MET 82 22.557 11.650 6.219 590 HG2 MET 82 2HG MET 82 22.293 9.224 6.648 591 HG3 MET 82 1HG MET 82 22.038 8.986 4.920 592 HE1 MET 82 1HE MET 82 24.421 9.787 7.777 593 HE2 MET 82 2HE MET 82 24.677 11.310 6.923 594 HE3 MET 82 3HE MET 82 25.973 10.116 7.005 595 H ALA 83 H ALA 83 19.755 12.613 3.963 596 HA ALA 83 HA ALA 83 20.152 15.170 5.063 597 HB1 ALA 83 1HB ALA 83 18.585 14.160 2.716 598 HB2 ALA 83 2HB ALA 83 20.077 15.098 2.736 599 HB3 ALA 83 3HB ALA 83 18.550 15.863 3.171 600 H GLY 84 H GLY 84 18.735 16.676 5.939 601 HA2 GLY 84 2HA GLY 84 16.052 15.696 6.656 602 HA3 GLY 84 1HA GLY 84 17.113 16.326 7.906 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -21.035 6.363 -10.226 2 H2 GLY 1 2HT GLY 1 -20.175 5.747 -8.906 3 H3 GLY 1 3HT GLY 1 -20.332 4.827 -10.314 4 HA2 GLY 1 1HA GLY 1 -19.071 6.540 -11.541 5 HA3 GLY 1 2HA GLY 1 -18.810 7.354 -10.007 6 HA PRO 2 HA PRO 2 -15.020 4.866 -10.428 7 HB2 PRO 2 2HB PRO 2 -13.807 6.089 -8.273 8 HB3 PRO 2 1HB PRO 2 -13.733 6.686 -9.934 9 HG2 PRO 2 2HG PRO 2 -15.506 7.548 -7.686 10 HG3 PRO 2 1HG PRO 2 -14.682 8.537 -8.907 11 HD2 PRO 2 2HD PRO 2 -17.299 7.978 -9.087 12 HD3 PRO 2 1HD PRO 2 -16.271 8.076 -10.533 13 H LEU 3 H LEU 3 -14.374 3.046 -9.356 14 HA LEU 3 HA LEU 3 -16.070 2.096 -7.230 15 HB2 LEU 3 2HB LEU 3 -13.637 0.805 -8.462 16 HB3 LEU 3 1HB LEU 3 -14.820 0.014 -7.437 17 HG LEU 3 HG LEU 3 -15.352 1.136 -10.192 18 HD11 LEU 3 1HD1 LEU 3 -15.871 -1.538 -10.268 19 HD12 LEU 3 2HD1 LEU 3 -14.464 -1.471 -9.206 20 HD13 LEU 3 3HD1 LEU 3 -14.381 -0.780 -10.826 21 HD21 LEU 3 1HD2 LEU 3 -17.405 -0.570 -9.502 22 HD22 LEU 3 2HD2 LEU 3 -17.477 1.191 -9.508 23 HD23 LEU 3 3HD2 LEU 3 -17.104 0.328 -8.015 24 H GLY 4 H GLY 4 -15.506 1.663 -5.121 25 HA2 GLY 4 2HA GLY 4 -14.168 1.609 -3.220 26 HA3 GLY 4 1HA GLY 4 -12.800 2.115 -4.200 27 H SER 5 H SER 5 -15.549 4.041 -4.666 28 HA SER 5 HA SER 5 -14.326 6.388 -3.759 29 HB2 SER 5 2HB SER 5 -17.277 5.847 -4.168 30 HB3 SER 5 1HB SER 5 -16.529 7.441 -4.065 31 HG SER 5 HG SER 5 -16.708 6.967 -6.212 32 H MET 6 H MET 6 -16.510 4.147 -2.156 33 HA MET 6 HA MET 6 -16.059 5.627 0.347 34 HB2 MET 6 2HB MET 6 -18.615 4.292 -0.558 35 HB3 MET 6 1HB MET 6 -18.342 4.922 1.062 36 HG2 MET 6 2HG MET 6 -17.975 7.164 0.060 37 HG3 MET 6 1HG MET 6 -18.429 6.488 -1.504 38 HE1 MET 6 1HE MET 6 -20.771 5.389 -1.987 39 HE2 MET 6 2HE MET 6 -22.152 5.450 -0.891 40 HE3 MET 6 3HE MET 6 -20.775 4.410 -0.519 41 H GLY 7 H GLY 7 -15.973 4.377 2.259 42 HA2 GLY 7 2HA GLY 7 -15.822 2.398 3.501 43 HA3 GLY 7 1HA GLY 7 -15.987 1.478 2.013 44 H GLU 8 H GLU 8 -14.168 0.621 3.775 45 HA GLU 8 HA GLU 8 -11.566 1.709 3.023 46 HB2 GLU 8 2HB GLU 8 -12.286 -0.479 4.984 47 HB3 GLU 8 1HB GLU 8 -10.675 0.182 4.736 48 HG2 GLU 8 2HG GLU 8 -11.497 2.388 5.461 49 HG3 GLU 8 1HG GLU 8 -13.075 1.671 5.777 50 H LYS 9 H LYS 9 -13.500 -0.072 1.351 51 HA LYS 9 HA LYS 9 -12.028 -2.470 0.859 52 HB2 LYS 9 2HB LYS 9 -14.086 -1.042 -0.844 53 HB3 LYS 9 1HB LYS 9 -13.457 -2.653 -1.166 54 HG2 LYS 9 2HG LYS 9 -14.343 -3.357 1.062 55 HG3 LYS 9 1HG LYS 9 -15.125 -1.779 1.181 56 HD2 LYS 9 2HD LYS 9 -15.570 -3.743 -1.066 57 HD3 LYS 9 1HD LYS 9 -16.619 -3.582 0.342 58 HE2 LYS 9 2HE LYS 9 -16.914 -1.168 -0.275 59 HE3 LYS 9 1HE LYS 9 -16.058 -1.516 -1.775 60 HZ1 LYS 9 1HZ LYS 9 -18.038 -3.436 -1.535 61 HZ2 LYS 9 2HZ LYS 9 -17.990 -2.143 -2.626 62 HZ3 LYS 9 3HZ LYS 9 -18.774 -1.963 -1.138 63 H GLN 10 H GLN 10 -11.340 0.687 0.297 64 HA GLN 10 HA GLN 10 -10.250 0.721 -2.295 65 HB2 GLN 10 2HB GLN 10 -10.752 2.774 -1.170 66 HB3 GLN 10 1HB GLN 10 -9.713 2.356 0.187 67 HG2 GLN 10 2HG GLN 10 -7.763 2.481 -1.331 68 HG3 GLN 10 1HG GLN 10 -8.841 3.012 -2.622 69 HE21 GLN 10 1HE2 GLN 10 -7.000 4.730 -2.293 70 HE22 GLN 10 2HE2 GLN 10 -7.461 6.086 -1.328 71 H SER 11 H SER 11 -8.177 0.394 -3.036 72 HA SER 11 HA SER 11 -6.306 -0.882 -1.150 73 HB2 SER 11 2HB SER 11 -6.678 -1.533 -4.084 74 HB3 SER 11 1HB SER 11 -5.515 -2.292 -2.998 75 HG SER 11 HG SER 11 -7.405 -3.551 -3.217 76 H LYS 12 H LYS 12 -4.088 -0.468 -1.445 77 HA LYS 12 HA LYS 12 -3.528 1.923 -3.072 78 HB2 LYS 12 2HB LYS 12 -2.235 0.987 -0.507 79 HB3 LYS 12 1HB LYS 12 -1.686 2.363 -1.452 80 HG2 LYS 12 2HG LYS 12 -3.895 3.423 -1.121 81 HG3 LYS 12 1HG LYS 12 -4.352 2.072 -0.083 82 HD2 LYS 12 2HD LYS 12 -2.429 2.614 1.387 83 HD3 LYS 12 1HD LYS 12 -2.099 4.024 0.379 84 HE2 LYS 12 2HE LYS 12 -4.155 5.044 0.980 85 HE3 LYS 12 1HE LYS 12 -4.753 3.560 1.720 86 HZ1 LYS 12 1HZ LYS 12 -2.284 4.611 2.824 87 HZ2 LYS 12 2HZ LYS 12 -3.626 3.947 3.611 88 HZ3 LYS 12 3HZ LYS 12 -3.662 5.557 3.095 89 H GLY 13 H GLY 13 -1.670 2.008 -4.316 90 HA2 GLY 13 2HA GLY 13 0.290 1.231 -5.306 91 HA3 GLY 13 1HA GLY 13 0.197 -0.209 -4.304 92 H TYR 14 H TYR 14 0.792 -0.047 -7.133 93 HA TYR 14 HA TYR 14 -1.540 -0.937 -8.556 94 HB2 TYR 14 2HB TYR 14 0.252 0.301 -9.690 95 HB3 TYR 14 1HB TYR 14 1.373 -1.015 -9.361 96 HD1 TYR 14 1HD TYR 14 -1.575 0.004 -11.316 97 HD2 TYR 14 2HD TYR 14 1.350 -3.017 -10.675 98 HE1 TYR 14 1HE TYR 14 -2.239 -1.077 -13.424 99 HE2 TYR 14 2HE TYR 14 0.697 -4.107 -12.780 100 HH TYR 14 HH TYR 14 -1.548 -2.611 -15.006 101 H TRP 15 H TRP 15 -2.320 -2.931 -8.553 102 HA TRP 15 HA TRP 15 -0.708 -5.123 -7.466 103 HB2 TRP 15 2HB TRP 15 -2.740 -6.314 -7.157 104 HB3 TRP 15 1HB TRP 15 -3.075 -4.655 -6.676 105 HD1 TRP 15 HD TRP 15 -3.973 -7.250 -9.317 106 HE1 TRP 15 1HE TRP 15 -5.994 -6.401 -10.666 107 HE3 TRP 15 3HE TRP 15 -4.236 -2.485 -7.481 108 HZ2 TRP 15 2HZ TRP 15 -7.503 -4.029 -10.917 109 HZ3 TRP 15 3HZ TRP 15 -5.998 -0.992 -8.328 110 HH2 TRP 15 HH TRP 15 -7.598 -1.748 -10.011 111 H GLN 16 H GLN 16 0.362 -6.419 -8.791 112 HA GLN 16 HA GLN 16 -0.258 -6.517 -11.626 113 HB2 GLN 16 2HB GLN 16 2.094 -6.430 -10.805 114 HB3 GLN 16 1HB GLN 16 1.860 -7.998 -10.046 115 HG2 GLN 16 2HG GLN 16 1.475 -9.005 -12.233 116 HG3 GLN 16 1HG GLN 16 1.697 -7.431 -12.997 117 HE21 GLN 16 1HE2 GLN 16 3.259 -9.415 -13.856 118 HE22 GLN 16 2HE2 GLN 16 4.879 -9.229 -13.286 119 H GLU 17 H GLU 17 -1.301 -8.038 -12.663 120 HA GLU 17 HA GLU 17 -2.984 -9.806 -11.349 121 HB2 GLU 17 2HB GLU 17 -2.086 -9.842 -14.229 122 HB3 GLU 17 1HB GLU 17 -3.437 -10.766 -13.589 123 HG2 GLU 17 2HG GLU 17 -4.517 -8.644 -12.924 124 HG3 GLU 17 1HG GLU 17 -3.193 -7.771 -13.696 125 H ASP 18 H ASP 18 -3.144 -12.064 -11.385 126 HA ASP 18 HA ASP 18 -0.959 -13.516 -10.451 127 HB2 ASP 18 2HB ASP 18 -3.449 -14.530 -11.833 128 HB3 ASP 18 1HB ASP 18 -2.366 -15.491 -10.831 129 H GLU 19 H GLU 19 -2.385 -13.449 -13.695 130 HA GLU 19 HA GLU 19 -0.662 -15.369 -14.828 131 HB2 GLU 19 2HB GLU 19 -2.348 -13.205 -16.073 132 HB3 GLU 19 1HB GLU 19 -1.465 -14.399 -17.013 133 HG2 GLU 19 2HG GLU 19 -2.736 -16.185 -15.914 134 HG3 GLU 19 1HG GLU 19 -3.637 -14.971 -15.007 135 H ASP 20 H ASP 20 -0.475 -11.832 -14.746 136 HA ASP 20 HA ASP 20 1.720 -11.635 -16.503 137 HB2 ASP 20 2HB ASP 20 0.740 -9.751 -14.350 138 HB3 ASP 20 1HB ASP 20 2.025 -9.353 -15.486 139 H ALA 21 H ALA 21 1.480 -12.184 -13.075 140 HA ALA 21 HA ALA 21 4.426 -12.330 -12.912 141 HB1 ALA 21 1HB ALA 21 4.323 -11.083 -11.082 142 HB2 ALA 21 2HB ALA 21 3.262 -12.263 -10.314 143 HB3 ALA 21 3HB ALA 21 2.575 -10.955 -11.278 144 HA PRO 22 HA PRO 22 2.848 -16.686 -12.403 145 HB2 PRO 22 2HB PRO 22 5.174 -17.343 -14.052 146 HB3 PRO 22 1HB PRO 22 3.474 -17.726 -14.312 147 HG2 PRO 22 2HG PRO 22 4.791 -15.945 -15.843 148 HG3 PRO 22 1HG PRO 22 3.068 -15.775 -15.461 149 HD2 PRO 22 2HD PRO 22 5.426 -14.385 -14.237 150 HD3 PRO 22 1HD PRO 22 3.845 -13.728 -14.702 151 H ALA 23 H ALA 23 5.736 -15.000 -11.771 152 HA ALA 23 HA ALA 23 6.501 -17.043 -9.806 153 HB1 ALA 23 1HB ALA 23 8.841 -15.745 -10.914 154 HB2 ALA 23 2HB ALA 23 7.942 -16.635 -12.144 155 HB3 ALA 23 3HB ALA 23 8.501 -17.461 -10.690 156 H CYS 24 H CYS 24 7.880 -16.183 -8.070 157 HA CYS 24 HA CYS 24 6.872 -13.788 -7.044 158 HB2 CYS 24 2HB CYS 24 7.939 -15.804 -5.832 159 HB3 CYS 24 1HB CYS 24 9.469 -14.986 -6.126 160 HG CYS 24 HG CYS 24 7.466 -13.195 -4.724 161 H ASN 25 H ASN 25 7.432 -11.762 -7.226 162 HA ASN 25 HA ASN 25 9.416 -10.887 -9.060 163 HB2 ASN 25 2HB ASN 25 7.749 -9.401 -7.024 164 HB3 ASN 25 1HB ASN 25 8.805 -8.610 -8.190 165 HD21 ASN 25 1HD2 ASN 25 5.753 -9.931 -7.617 166 HD22 ASN 25 2HD2 ASN 25 5.129 -9.819 -9.225 167 H GLY 26 H GLY 26 9.425 -11.515 -5.630 168 HA2 GLY 26 2HA GLY 26 11.746 -9.871 -5.140 169 HA3 GLY 26 1HA GLY 26 10.921 -10.889 -3.979 170 H CYS 27 H CYS 27 11.179 -13.399 -4.775 171 HA CYS 27 HA CYS 27 14.094 -13.716 -4.936 172 HB2 CYS 27 2HB CYS 27 13.854 -15.794 -3.762 173 HB3 CYS 27 1HB CYS 27 12.947 -14.560 -2.897 174 HG CYS 27 HG CYS 27 10.755 -15.646 -3.681 175 H GLY 28 H GLY 28 11.545 -13.923 -6.993 176 HA2 GLY 28 2HA GLY 28 11.481 -14.759 -9.136 177 HA3 GLY 28 1HA GLY 28 13.077 -15.442 -8.869 178 H CYS 29 H CYS 29 11.089 -16.502 -6.399 179 HA CYS 29 HA CYS 29 11.062 -19.156 -7.432 180 HB2 CYS 29 2HB CYS 29 10.071 -19.819 -5.394 181 HB3 CYS 29 1HB CYS 29 11.139 -18.488 -4.969 182 HG CYS 29 HG CYS 29 8.433 -18.533 -4.100 183 H VAL 30 H VAL 30 9.356 -20.377 -8.215 184 HA VAL 30 HA VAL 30 7.288 -18.806 -9.489 185 HB VAL 30 HB VAL 30 8.000 -20.349 -10.995 186 HG11 VAL 30 1HG1 VAL 30 8.310 -22.189 -8.658 187 HG12 VAL 30 2HG1 VAL 30 9.505 -21.695 -9.857 188 HG13 VAL 30 3HG1 VAL 30 8.236 -22.839 -10.296 189 HG21 VAL 30 1HG2 VAL 30 5.809 -21.944 -9.691 190 HG22 VAL 30 2HG2 VAL 30 6.224 -21.865 -11.404 191 HG23 VAL 30 3HG2 VAL 30 5.521 -20.459 -10.601 192 H PHE 31 H PHE 31 5.114 -18.982 -9.243 193 HA PHE 31 HA PHE 31 4.205 -19.907 -6.653 194 HB2 PHE 31 2HB PHE 31 2.675 -18.581 -8.905 195 HB3 PHE 31 1HB PHE 31 2.056 -18.883 -7.284 196 HD1 PHE 31 2HD PHE 31 3.189 -17.757 -5.336 197 HD2 PHE 31 1HD PHE 31 3.908 -16.651 -9.382 198 HE1 PHE 31 2HE PHE 31 4.097 -15.602 -4.583 199 HE2 PHE 31 1HE PHE 31 4.819 -14.493 -8.633 200 HZ PHE 31 HZ PHE 31 4.916 -13.966 -6.230 201 H THR 32 H THR 32 3.083 -21.654 -6.234 202 HA THR 32 HA THR 32 2.131 -23.316 -8.473 203 HB THR 32 HB THR 32 2.829 -25.306 -7.327 204 HG1 THR 32 1HG THR 32 3.842 -25.200 -5.309 205 HG21 THR 32 1HG2 THR 32 5.320 -24.812 -6.921 206 HG22 THR 32 2HG2 THR 32 4.932 -23.197 -7.516 207 HG23 THR 32 3HG2 THR 32 4.658 -24.604 -8.542 208 H THR 33 H THR 33 0.523 -25.007 -7.703 209 HA THR 33 HA THR 33 -1.776 -23.841 -6.748 210 HB THR 33 HB THR 33 -0.979 -26.736 -6.407 211 HG1 THR 33 1HG THR 33 -2.607 -25.998 -8.495 212 HG21 THR 33 1HG2 THR 33 -3.667 -25.403 -6.457 213 HG22 THR 33 2HG2 THR 33 -2.967 -26.393 -5.177 214 HG23 THR 33 3HG2 THR 33 -3.428 -27.131 -6.710 215 H THR 34 H THR 34 0.666 -25.597 -4.833 216 HA THR 34 HA THR 34 -0.770 -25.353 -2.410 217 HB THR 34 HB THR 34 2.215 -25.709 -2.780 218 HG1 THR 34 1HG THR 34 1.621 -27.958 -2.445 219 HG21 THR 34 1HG2 THR 34 2.349 -25.682 -0.574 220 HG22 THR 34 2HG2 THR 34 1.349 -27.134 -0.552 221 HG23 THR 34 3HG2 THR 34 0.597 -25.545 -0.412 222 H VAL 35 H VAL 35 1.604 -23.275 -4.001 223 HA VAL 35 HA VAL 35 1.727 -21.495 -1.722 224 HB VAL 35 HB VAL 35 2.908 -21.284 -4.482 225 HG11 VAL 35 1HG1 VAL 35 4.219 -19.390 -3.531 226 HG12 VAL 35 2HG1 VAL 35 3.158 -19.433 -2.122 227 HG13 VAL 35 3HG1 VAL 35 2.495 -19.057 -3.713 228 HG21 VAL 35 1HG2 VAL 35 4.449 -22.650 -3.636 229 HG22 VAL 35 2HG2 VAL 35 3.769 -22.518 -2.013 230 HG23 VAL 35 3HG2 VAL 35 4.924 -21.315 -2.585 231 H ARG 36 H ARG 36 0.158 -20.173 -1.339 232 HA ARG 36 HA ARG 36 -1.743 -19.281 -3.290 233 HB2 ARG 36 2HB ARG 36 -1.233 -18.377 -0.449 234 HB3 ARG 36 1HB ARG 36 -2.606 -17.881 -1.430 235 HG2 ARG 36 2HG ARG 36 -1.994 -20.724 -0.642 236 HG3 ARG 36 1HG ARG 36 -3.149 -19.668 0.178 237 HD2 ARG 36 2HD ARG 36 -4.369 -19.428 -1.970 238 HD3 ARG 36 1HD ARG 36 -3.269 -20.606 -2.685 239 HE ARG 36 HE ARG 36 -5.500 -21.144 -0.980 240 HH11 ARG 36 1HH1 ARG 36 -2.360 -22.293 -1.963 241 HH12 ARG 36 2HH1 ARG 36 -2.699 -23.945 -1.569 242 HH21 ARG 36 1HH2 ARG 36 -5.955 -23.317 -0.460 243 HH22 ARG 36 2HH2 ARG 36 -4.740 -24.527 -0.711 244 H ARG 37 H ARG 37 -1.974 -17.267 -4.181 245 HA ARG 37 HA ARG 37 0.487 -15.752 -4.435 246 HB2 ARG 37 2HB ARG 37 -0.953 -16.384 -6.393 247 HB3 ARG 37 1HB ARG 37 -2.167 -15.267 -5.790 248 HG2 ARG 37 2HG ARG 37 -0.579 -13.424 -6.016 249 HG3 ARG 37 1HG ARG 37 0.628 -14.553 -6.632 250 HD2 ARG 37 2HD ARG 37 -2.058 -14.077 -7.901 251 HD3 ARG 37 1HD ARG 37 -0.571 -13.279 -8.405 252 HE ARG 37 HE ARG 37 0.136 -15.248 -9.384 253 HH11 ARG 37 1HH1 ARG 37 -2.777 -15.800 -7.546 254 HH12 ARG 37 2HH1 ARG 37 -3.036 -17.385 -8.196 255 HH21 ARG 37 1HH2 ARG 37 -0.208 -17.331 -10.246 256 HH22 ARG 37 2HH2 ARG 37 -1.579 -18.253 -9.730 257 H HIS 38 H HIS 38 0.794 -13.635 -3.824 258 HA HIS 38 HA HIS 38 -1.394 -12.226 -2.514 259 HB2 HIS 38 2HB HIS 38 1.237 -12.826 -1.153 260 HB3 HIS 38 1HB HIS 38 0.023 -11.709 -0.542 261 HD1 HIS 38 1HD HIS 38 -2.472 -12.997 -0.280 262 HD2 HIS 38 2HD HIS 38 0.996 -15.274 -0.038 263 HE1 HIS 38 1HE HIS 38 -3.138 -15.111 0.905 264 HE2 HIS 38 2HE HIS 38 -1.002 -16.427 1.130 265 H HIS 39 H HIS 39 -0.603 -9.997 -1.781 266 HA HIS 39 HA HIS 39 1.345 -8.922 -3.722 267 HB2 HIS 39 2HB HIS 39 -1.286 -7.628 -2.987 268 HB3 HIS 39 1HB HIS 39 -0.093 -6.998 -4.119 269 HD1 HIS 39 1HD HIS 39 0.380 -8.813 -6.203 270 HD2 HIS 39 2HD HIS 39 -3.272 -8.961 -4.227 271 HE1 HIS 39 1HE HIS 39 -1.181 -10.012 -7.766 272 HE2 HIS 39 2HE HIS 39 -3.413 -9.982 -6.599 273 H CYS 40 H CYS 40 2.507 -7.086 -3.099 274 HA CYS 40 HA CYS 40 2.685 -6.662 -0.216 275 HB2 CYS 40 2HB CYS 40 4.792 -7.060 -1.362 276 HB3 CYS 40 1HB CYS 40 4.426 -5.810 -2.546 277 HG CYS 40 HG CYS 40 4.711 -4.828 0.347 278 H ARG 41 H ARG 41 2.105 -4.763 0.740 279 HA ARG 41 HA ARG 41 0.318 -3.072 -0.670 280 HB2 ARG 41 2HB ARG 41 1.493 -2.783 2.095 281 HB3 ARG 41 1HB ARG 41 0.142 -1.848 1.464 282 HG2 ARG 41 2HG ARG 41 -1.078 -4.012 1.127 283 HG3 ARG 41 1HG ARG 41 0.230 -4.803 2.008 284 HD2 ARG 41 2HD ARG 41 -1.525 -4.369 3.562 285 HD3 ARG 41 1HD ARG 41 -0.212 -3.242 3.908 286 HE ARG 41 HE ARG 41 -1.780 -1.812 2.257 287 HH11 ARG 41 1HH1 ARG 41 -2.483 -3.670 5.121 288 HH12 ARG 41 2HH1 ARG 41 -3.821 -2.676 5.590 289 HH21 ARG 41 1HH2 ARG 41 -3.541 -0.506 2.863 290 HH22 ARG 41 2HH2 ARG 41 -4.423 -0.876 4.308 291 H ASN 42 H ASN 42 3.636 -3.029 -0.620 292 HA ASN 42 HA ASN 42 3.825 -0.113 -0.840 293 HB2 ASN 42 2HB ASN 42 5.923 -2.256 -0.496 294 HB3 ASN 42 1HB ASN 42 6.316 -0.573 -0.814 295 HD21 ASN 42 1HD2 ASN 42 6.311 -2.687 1.538 296 HD22 ASN 42 2HD2 ASN 42 5.876 -1.700 2.885 297 H CYS 43 H CYS 43 5.523 -2.779 -2.483 298 HA CYS 43 HA CYS 43 5.764 -1.220 -4.861 299 HB2 CYS 43 2HB CYS 43 6.868 -3.191 -5.811 300 HB3 CYS 43 1HB CYS 43 7.510 -2.801 -4.220 301 HG CYS 43 HG CYS 43 7.125 -5.183 -3.782 302 H GLY 44 H GLY 44 3.483 -3.541 -3.689 303 HA2 GLY 44 2HA GLY 44 1.426 -4.126 -4.546 304 HA3 GLY 44 1HA GLY 44 1.708 -2.996 -5.862 305 H TYR 45 H TYR 45 4.096 -5.401 -5.300 306 HA TYR 45 HA TYR 45 3.309 -6.726 -7.788 307 HB2 TYR 45 2HB TYR 45 5.905 -6.924 -6.250 308 HB3 TYR 45 1HB TYR 45 5.576 -7.645 -7.820 309 HD1 TYR 45 2HD TYR 45 4.189 -5.441 -9.201 310 HD2 TYR 45 1HD TYR 45 7.599 -5.373 -6.658 311 HE1 TYR 45 2HE TYR 45 4.971 -3.393 -10.314 312 HE2 TYR 45 1HE TYR 45 8.390 -3.324 -7.763 313 HH TYR 45 HH TYR 45 8.073 -1.909 -9.463 314 H VAL 46 H VAL 46 3.569 -9.068 -7.915 315 HA VAL 46 HA VAL 46 2.175 -10.285 -5.735 316 HB VAL 46 HB VAL 46 3.289 -11.522 -8.258 317 HG11 VAL 46 1HG1 VAL 46 1.310 -12.734 -6.343 318 HG12 VAL 46 2HG1 VAL 46 3.033 -13.107 -6.329 319 HG13 VAL 46 3HG1 VAL 46 2.057 -13.495 -7.747 320 HG21 VAL 46 1HG2 VAL 46 0.394 -11.382 -7.900 321 HG22 VAL 46 2HG2 VAL 46 1.384 -10.948 -9.292 322 HG23 VAL 46 3HG2 VAL 46 1.169 -9.801 -7.971 323 H LEU 47 H LEU 47 2.962 -11.412 -4.078 324 HA LEU 47 HA LEU 47 5.723 -12.425 -4.212 325 HB2 LEU 47 2HB LEU 47 4.444 -10.882 -1.955 326 HB3 LEU 47 1HB LEU 47 5.889 -11.844 -1.749 327 HG LEU 47 HG LEU 47 6.338 -9.432 -1.973 328 HD11 LEU 47 1HD1 LEU 47 8.236 -10.540 -2.521 329 HD12 LEU 47 2HD1 LEU 47 7.910 -9.773 -4.073 330 HD13 LEU 47 3HD1 LEU 47 7.464 -11.458 -3.813 331 HD21 LEU 47 1HD2 LEU 47 5.582 -8.154 -3.624 332 HD22 LEU 47 2HD2 LEU 47 4.444 -9.464 -3.931 333 HD23 LEU 47 3HD2 LEU 47 5.944 -9.366 -4.854 334 H CYS 48 H CYS 48 6.052 -14.385 -3.237 335 HA CYS 48 HA CYS 48 3.695 -15.921 -2.580 336 HB2 CYS 48 2HB CYS 48 5.108 -17.828 -2.549 337 HB3 CYS 48 1HB CYS 48 5.741 -16.811 -3.841 338 HG CYS 48 HG CYS 48 7.582 -16.043 -1.983 339 H GLY 49 H GLY 49 4.170 -17.472 -0.475 340 HA2 GLY 49 2HA GLY 49 3.795 -15.813 1.728 341 HA3 GLY 49 1HA GLY 49 4.241 -17.510 1.818 342 H ASP 50 H ASP 50 6.700 -17.674 0.876 343 HA ASP 50 HA ASP 50 8.335 -16.817 2.947 344 HB2 ASP 50 2HB ASP 50 8.979 -17.727 0.148 345 HB3 ASP 50 1HB ASP 50 10.231 -17.346 1.323 346 H CYS 51 H CYS 51 7.662 -15.224 -0.095 347 HA CYS 51 HA CYS 51 9.657 -13.181 0.440 348 HB2 CYS 51 2HB CYS 51 7.972 -13.929 -1.884 349 HB3 CYS 51 1HB CYS 51 8.429 -12.235 -1.746 350 HG CYS 51 HG CYS 51 10.937 -12.985 -1.853 351 H SER 52 H SER 52 6.613 -13.755 1.511 352 HA SER 52 HA SER 52 6.128 -10.902 1.976 353 HB2 SER 52 2HB SER 52 3.722 -11.232 1.699 354 HB3 SER 52 1HB SER 52 4.561 -11.713 0.223 355 HG SER 52 HG SER 52 3.195 -13.262 2.089 356 H ARG 53 H ARG 53 7.382 -13.104 3.516 357 HA ARG 53 HA ARG 53 5.505 -13.728 5.617 358 HB2 ARG 53 2HB ARG 53 8.443 -14.295 5.248 359 HB3 ARG 53 1HB ARG 53 7.618 -14.644 6.762 360 HG2 ARG 53 2HG ARG 53 6.020 -16.060 5.426 361 HG3 ARG 53 1HG ARG 53 7.113 -15.848 4.059 362 HD2 ARG 53 2HD ARG 53 8.949 -16.775 5.450 363 HD3 ARG 53 1HD ARG 53 7.766 -17.109 6.713 364 HE ARG 53 HE ARG 53 7.081 -18.259 4.174 365 HH11 ARG 53 1HH1 ARG 53 8.894 -18.708 7.117 366 HH12 ARG 53 2HH1 ARG 53 8.923 -20.435 6.986 367 HH21 ARG 53 1HH2 ARG 53 7.113 -20.529 3.996 368 HH22 ARG 53 2HH2 ARG 53 7.910 -21.470 5.213 369 H HIS 54 H HIS 54 7.663 -11.142 4.894 370 HA HIS 54 HA HIS 54 8.099 -10.378 7.625 371 HB2 HIS 54 2HB HIS 54 8.582 -8.921 5.023 372 HB3 HIS 54 1HB HIS 54 9.019 -8.275 6.596 373 HD1 HIS 54 1HD HIS 54 10.905 -9.623 7.912 374 HD2 HIS 54 2HD HIS 54 10.403 -10.644 3.917 375 HE1 HIS 54 1HE HIS 54 12.994 -10.866 7.270 376 HE2 HIS 54 2HE HIS 54 12.626 -11.554 4.875 377 H ARG 55 H ARG 55 7.474 -8.224 8.414 378 HA ARG 55 HA ARG 55 4.977 -7.202 7.302 379 HB2 ARG 55 2HB ARG 55 5.300 -7.939 10.218 380 HB3 ARG 55 1HB ARG 55 3.898 -7.151 9.498 381 HG2 ARG 55 2HG ARG 55 3.629 -9.161 8.036 382 HG3 ARG 55 1HG ARG 55 4.880 -9.947 9.000 383 HD2 ARG 55 2HD ARG 55 2.783 -10.634 9.882 384 HD3 ARG 55 1HD ARG 55 3.471 -9.479 11.025 385 HE ARG 55 HE ARG 55 1.671 -8.135 10.648 386 HH11 ARG 55 1HH1 ARG 55 2.027 -10.301 7.948 387 HH12 ARG 55 2HH1 ARG 55 0.588 -9.757 7.153 388 HH21 ARG 55 1HH2 ARG 55 -0.223 -7.403 9.608 389 HH22 ARG 55 2HH2 ARG 55 -0.693 -8.110 8.099 390 H ALA 56 H ALA 56 4.799 -5.046 7.420 391 HA ALA 56 HA ALA 56 6.331 -3.493 9.326 392 HB1 ALA 56 1HB ALA 56 7.392 -2.166 7.379 393 HB2 ALA 56 2HB ALA 56 7.111 -3.634 6.444 394 HB3 ALA 56 3HB ALA 56 8.128 -3.686 7.885 395 H ALA 57 H ALA 57 5.784 -1.250 9.358 396 HA ALA 57 HA ALA 57 3.134 -0.725 8.272 397 HB1 ALA 57 1HB ALA 57 3.410 -0.160 10.584 398 HB2 ALA 57 2HB ALA 57 3.304 1.351 9.680 399 HB3 ALA 57 3HB ALA 57 4.871 0.766 10.241 400 H ILE 58 H ILE 58 2.702 1.106 6.926 401 HA ILE 58 HA ILE 58 5.087 2.243 5.635 402 HB ILE 58 HB ILE 58 2.545 1.790 4.124 403 HG12 ILE 58 2HG1 ILE 58 4.756 -0.259 4.401 404 HG13 ILE 58 1HG1 ILE 58 3.202 -0.368 5.221 405 HG21 ILE 58 1HG2 ILE 58 4.032 1.755 2.225 406 HG22 ILE 58 2HG2 ILE 58 5.439 1.788 3.283 407 HG23 ILE 58 3HG2 ILE 58 4.366 3.184 3.201 408 HD11 ILE 58 1HD1 ILE 58 2.175 -1.136 3.401 409 HD12 ILE 58 2HD1 ILE 58 3.800 -1.476 2.810 410 HD13 ILE 58 3HD1 ILE 58 2.984 0.014 2.337 411 HA PRO 59 HA PRO 59 2.486 5.658 7.313 412 HB2 PRO 59 2HB PRO 59 4.591 7.268 7.921 413 HB3 PRO 59 1HB PRO 59 3.965 6.023 9.006 414 HG2 PRO 59 2HG PRO 59 6.320 5.914 7.162 415 HG3 PRO 59 1HG PRO 59 6.174 5.322 8.827 416 HD2 PRO 59 2HD PRO 59 6.001 3.679 6.688 417 HD3 PRO 59 1HD PRO 59 5.079 3.395 8.179 418 H MET 60 H MET 60 4.610 5.393 4.613 419 HA MET 60 HA MET 60 4.153 8.138 3.763 420 HB2 MET 60 2HB MET 60 5.548 5.789 2.463 421 HB3 MET 60 1HB MET 60 5.390 7.372 1.715 422 HG2 MET 60 2HG MET 60 6.626 8.348 3.624 423 HG3 MET 60 1HG MET 60 6.864 6.720 4.257 424 HE1 MET 60 1HE MET 60 9.685 8.781 3.179 425 HE2 MET 60 2HE MET 60 10.367 7.161 3.324 426 HE3 MET 60 3HE MET 60 9.120 7.698 4.450 427 H ARG 61 H ARG 61 3.152 4.868 3.089 428 HA ARG 61 HA ARG 61 1.397 5.611 0.910 429 HB2 ARG 61 2HB ARG 61 1.593 2.983 2.385 430 HB3 ARG 61 1HB ARG 61 0.852 3.257 0.814 431 HG2 ARG 61 2HG ARG 61 3.777 3.597 1.447 432 HG3 ARG 61 1HG ARG 61 3.057 2.211 0.627 433 HD2 ARG 61 2HD ARG 61 2.875 5.046 -0.369 434 HD3 ARG 61 1HD ARG 61 4.118 3.904 -0.880 435 HE ARG 61 HE ARG 61 1.802 2.584 -1.370 436 HH11 ARG 61 1HH1 ARG 61 3.007 5.733 -2.230 437 HH12 ARG 61 2HH1 ARG 61 2.150 5.795 -3.733 438 HH21 ARG 61 1HH2 ARG 61 0.659 2.656 -3.339 439 HH22 ARG 61 2HH2 ARG 61 0.809 4.045 -4.362 440 H GLY 62 H GLY 62 1.220 6.040 4.117 441 HA2 GLY 62 2HA GLY 62 -0.661 6.933 5.236 442 HA3 GLY 62 1HA GLY 62 -1.703 6.145 4.059 443 H ILE 63 H ILE 63 0.659 4.010 5.094 444 HA ILE 63 HA ILE 63 -1.263 2.654 6.828 445 HB ILE 63 HB ILE 63 1.327 1.676 5.607 446 HG12 ILE 63 2HG1 ILE 63 -1.514 0.994 4.830 447 HG13 ILE 63 1HG1 ILE 63 -0.533 2.199 4.003 448 HG21 ILE 63 1HG2 ILE 63 0.459 -0.581 6.213 449 HG22 ILE 63 2HG2 ILE 63 -0.793 0.218 7.169 450 HG23 ILE 63 3HG2 ILE 63 0.908 0.428 7.590 451 HD11 ILE 63 1HD1 ILE 63 -0.674 -0.129 2.987 452 HD12 ILE 63 2HD1 ILE 63 0.388 -0.632 4.302 453 HD13 ILE 63 3HD1 ILE 63 0.926 0.595 3.153 454 H THR 64 H THR 64 -1.075 3.517 8.847 455 HA THR 64 HA THR 64 1.537 4.109 9.961 456 HB THR 64 HB THR 64 0.274 4.941 11.909 457 HG1 THR 64 1HG THR 64 -1.584 3.353 11.123 458 HG21 THR 64 1HG2 THR 64 -0.740 6.829 10.908 459 HG22 THR 64 2HG2 THR 64 -0.985 5.971 9.385 460 HG23 THR 64 3HG2 THR 64 0.647 6.392 9.908 461 H GLU 65 H GLU 65 -0.623 1.473 9.942 462 HA GLU 65 HA GLU 65 0.620 0.325 12.343 463 HB2 GLU 65 2HB GLU 65 -1.725 -0.779 10.790 464 HB3 GLU 65 1HB GLU 65 -1.194 -1.242 12.401 465 HG2 GLU 65 2HG GLU 65 -1.683 1.504 12.539 466 HG3 GLU 65 1HG GLU 65 -3.009 0.830 11.594 467 HA PRO 66 HA PRO 66 3.260 -2.168 9.888 468 HB2 PRO 66 2HB PRO 66 2.687 -4.392 11.779 469 HB3 PRO 66 1HB PRO 66 4.239 -3.679 11.331 470 HG2 PRO 66 2HG PRO 66 3.124 -3.186 13.712 471 HG3 PRO 66 1HG PRO 66 4.025 -1.935 12.837 472 HD2 PRO 66 2HD PRO 66 1.073 -2.279 13.153 473 HD3 PRO 66 1HD PRO 66 2.037 -0.789 13.102 474 H GLU 67 H GLU 67 2.735 -3.030 8.018 475 HA GLU 67 HA GLU 67 0.567 -5.014 7.901 476 HB2 GLU 67 2HB GLU 67 1.210 -2.861 5.877 477 HB3 GLU 67 1HB GLU 67 -0.004 -4.109 5.666 478 HG2 GLU 67 2HG GLU 67 -0.023 -1.968 7.773 479 HG3 GLU 67 1HG GLU 67 -1.014 -2.006 6.317 480 H ARG 68 H ARG 68 0.685 -6.358 5.869 481 HA ARG 68 HA ARG 68 3.238 -7.591 5.733 482 HB2 ARG 68 2HB ARG 68 2.205 -9.124 4.156 483 HB3 ARG 68 1HB ARG 68 1.159 -8.852 5.543 484 HG2 ARG 68 2HG ARG 68 -0.085 -7.175 4.150 485 HG3 ARG 68 1HG ARG 68 0.861 -7.730 2.768 486 HD2 ARG 68 2HD ARG 68 0.029 -10.037 3.215 487 HD3 ARG 68 1HD ARG 68 -1.018 -9.365 4.466 488 HE ARG 68 HE ARG 68 -1.461 -9.309 1.650 489 HH11 ARG 68 1HH1 ARG 68 -2.003 -7.553 4.609 490 HH12 ARG 68 2HH1 ARG 68 -3.413 -6.738 4.019 491 HH21 ARG 68 1HH2 ARG 68 -3.310 -8.240 0.862 492 HH22 ARG 68 2HH2 ARG 68 -4.156 -7.129 1.885 493 H VAL 69 H VAL 69 4.776 -7.553 4.265 494 HA VAL 69 HA VAL 69 4.462 -6.145 1.725 495 HB VAL 69 HB VAL 69 6.517 -4.844 2.049 496 HG11 VAL 69 1HG1 VAL 69 4.570 -3.595 2.367 497 HG12 VAL 69 2HG1 VAL 69 5.543 -3.246 3.800 498 HG13 VAL 69 3HG1 VAL 69 4.203 -4.386 3.902 499 HG21 VAL 69 1HG2 VAL 69 7.206 -4.541 4.525 500 HG22 VAL 69 2HG2 VAL 69 7.774 -5.966 3.654 501 HG23 VAL 69 3HG2 VAL 69 6.416 -6.100 4.770 502 H CYS 70 H CYS 70 6.807 -6.254 0.633 503 HA CYS 70 HA CYS 70 7.572 -9.066 0.764 504 HB2 CYS 70 2HB CYS 70 8.323 -8.901 -1.426 505 HB3 CYS 70 1HB CYS 70 6.985 -7.762 -1.428 506 HG CYS 70 HG CYS 70 9.289 -6.861 -2.545 507 H ASP 71 H ASP 71 10.211 -8.717 -0.315 508 HA ASP 71 HA ASP 71 11.530 -7.983 2.168 509 HB2 ASP 71 2HB ASP 71 12.154 -10.060 0.947 510 HB3 ASP 71 1HB ASP 71 12.757 -9.067 -0.377 511 H ALA 72 H ALA 72 11.603 -6.827 -1.195 512 HA ALA 72 HA ALA 72 13.637 -4.910 -0.740 513 HB1 ALA 72 1HB ALA 72 11.792 -4.125 -2.823 514 HB2 ALA 72 2HB ALA 72 12.232 -5.828 -2.943 515 HB3 ALA 72 3HB ALA 72 13.489 -4.591 -2.932 516 H CYS 73 H CYS 73 10.102 -4.643 -0.715 517 HA CYS 73 HA CYS 73 9.987 -1.868 -0.240 518 HB2 CYS 73 2HB CYS 73 7.954 -3.938 0.621 519 HB3 CYS 73 1HB CYS 73 7.670 -2.227 0.315 520 HG CYS 73 HG CYS 73 8.659 -3.439 -2.209 521 H TYR 74 H TYR 74 10.094 -4.658 1.927 522 HA TYR 74 HA TYR 74 9.673 -3.308 4.345 523 HB2 TYR 74 2HB TYR 74 9.697 -5.779 4.098 524 HB3 TYR 74 1HB TYR 74 11.435 -5.719 3.836 525 HD1 TYR 74 2HD TYR 74 8.764 -5.163 6.334 526 HD2 TYR 74 1HD TYR 74 12.946 -5.576 5.664 527 HE1 TYR 74 2HE TYR 74 9.128 -5.364 8.755 528 HE2 TYR 74 1HE TYR 74 13.318 -5.781 8.086 529 HH TYR 74 HH TYR 74 10.602 -5.692 10.376 530 H LEU 75 H LEU 75 12.580 -3.854 2.440 531 HA LEU 75 HA LEU 75 14.412 -2.688 4.279 532 HB2 LEU 75 2HB LEU 75 14.472 -3.557 1.442 533 HB3 LEU 75 1HB LEU 75 15.721 -2.453 1.977 534 HG LEU 75 HG LEU 75 15.174 -4.981 3.495 535 HD11 LEU 75 1HD1 LEU 75 15.483 -5.639 1.165 536 HD12 LEU 75 2HD1 LEU 75 16.862 -6.115 2.154 537 HD13 LEU 75 3HD1 LEU 75 16.979 -4.708 1.097 538 HD21 LEU 75 1HD2 LEU 75 17.654 -3.308 3.100 539 HD22 LEU 75 2HD2 LEU 75 17.514 -4.736 4.125 540 HD23 LEU 75 3HD2 LEU 75 16.605 -3.278 4.518 541 H ALA 76 H ALA 76 12.949 -1.407 1.291 542 HA ALA 76 HA ALA 76 14.195 1.079 1.356 543 HB1 ALA 76 1HB ALA 76 11.951 -0.108 -0.058 544 HB2 ALA 76 2HB ALA 76 13.172 1.030 -0.625 545 HB3 ALA 76 3HB ALA 76 11.743 1.621 0.222 546 H LEU 77 H LEU 77 11.155 0.065 2.850 547 HA LEU 77 HA LEU 77 10.447 2.620 3.847 548 HB2 LEU 77 2HB LEU 77 9.686 -0.158 4.717 549 HB3 LEU 77 1HB LEU 77 9.018 1.287 5.444 550 HG LEU 77 HG LEU 77 8.765 0.572 2.523 551 HD11 LEU 77 1HD1 LEU 77 7.524 -1.033 3.751 552 HD12 LEU 77 2HD1 LEU 77 6.374 0.162 3.152 553 HD13 LEU 77 3HD1 LEU 77 6.884 0.199 4.839 554 HD21 LEU 77 1HD2 LEU 77 7.134 2.358 2.438 555 HD22 LEU 77 2HD2 LEU 77 8.672 2.989 3.027 556 HD23 LEU 77 3HD2 LEU 77 7.356 2.680 4.159 557 H ARG 78 H ARG 78 12.393 -0.013 5.126 558 HA ARG 78 HA ARG 78 12.643 0.999 7.752 559 HB2 ARG 78 2HB ARG 78 14.200 -0.983 6.137 560 HB3 ARG 78 1HB ARG 78 14.745 -0.497 7.735 561 HG2 ARG 78 2HG ARG 78 12.549 -1.204 8.642 562 HG3 ARG 78 1HG ARG 78 12.128 -1.809 7.039 563 HD2 ARG 78 2HD ARG 78 13.515 -3.593 7.199 564 HD3 ARG 78 1HD ARG 78 14.711 -2.707 8.145 565 HE ARG 78 HE ARG 78 12.212 -3.418 9.467 566 HH11 ARG 78 1HH1 ARG 78 15.600 -4.082 8.963 567 HH12 ARG 78 2HH1 ARG 78 15.763 -5.008 10.416 568 HH21 ARG 78 1HH2 ARG 78 12.425 -4.646 11.377 569 HH22 ARG 78 2HH2 ARG 78 13.961 -5.335 11.782 570 H SER 79 H SER 79 13.780 2.292 4.901 571 HA SER 79 HA SER 79 16.404 3.044 5.482 572 HB2 SER 79 2HB SER 79 16.138 4.737 3.780 573 HB3 SER 79 1HB SER 79 15.260 3.297 3.265 574 HG SER 79 HG SER 79 13.467 4.387 3.338 575 H SER 80 H SER 80 13.429 4.084 6.827 576 HA SER 80 HA SER 80 14.755 6.379 8.109 577 HB2 SER 80 2HB SER 80 11.791 5.877 7.731 578 HB3 SER 80 1HB SER 80 12.511 7.301 8.482 579 HG SER 80 HG SER 80 12.077 7.790 6.353 580 H ASN 81 H ASN 81 14.452 6.702 10.351 581 HA ASN 81 HA ASN 81 14.541 4.364 11.916 582 HB2 ASN 81 2HB ASN 81 14.055 7.222 12.792 583 HB3 ASN 81 1HB ASN 81 14.535 5.894 13.844 584 HD21 ASN 81 1HD2 ASN 81 15.892 8.394 13.338 585 HD22 ASN 81 2HD2 ASN 81 17.453 7.989 12.716 586 H MET 82 H MET 82 13.087 3.593 13.505 587 HA MET 82 HA MET 82 10.316 3.821 12.711 588 HB2 MET 82 2HB MET 82 11.651 2.154 14.852 589 HB3 MET 82 1HB MET 82 9.951 2.049 14.415 590 HG2 MET 82 2HG MET 82 10.611 1.404 12.130 591 HG3 MET 82 1HG MET 82 12.299 1.428 12.638 592 HE1 MET 82 1HE MET 82 11.161 -1.473 11.380 593 HE2 MET 82 2HE MET 82 12.249 -2.285 12.505 594 HE3 MET 82 3HE MET 82 12.719 -0.750 11.778 595 H ALA 83 H ALA 83 8.640 4.629 13.940 596 HA ALA 83 HA ALA 83 9.264 6.750 15.719 597 HB1 ALA 83 1HB ALA 83 7.244 6.557 14.191 598 HB2 ALA 83 2HB ALA 83 6.949 7.163 15.820 599 HB3 ALA 83 3HB ALA 83 6.550 5.493 15.414 600 H GLY 84 H GLY 84 9.125 3.435 16.204 601 HA2 GLY 84 2HA GLY 84 9.901 3.136 18.687 602 HA3 GLY 84 1HA GLY 84 8.246 3.646 18.988 Start of MODEL 21 1 H1 GLY 1 1HT GLY 1 -8.279 17.307 -9.343 2 H2 GLY 1 2HT GLY 1 -8.000 15.951 -10.314 3 H3 GLY 1 3HT GLY 1 -9.262 17.012 -10.688 4 HA2 GLY 1 1HA GLY 1 -7.947 18.246 -11.935 5 HA3 GLY 1 2HA GLY 1 -6.901 18.503 -10.555 6 HA PRO 2 HA PRO 2 -3.925 16.471 -13.264 7 HB2 PRO 2 2HB PRO 2 -1.927 16.289 -11.342 8 HB3 PRO 2 1HB PRO 2 -2.181 17.662 -12.415 9 HG2 PRO 2 2HG PRO 2 -2.919 17.324 -9.562 10 HG3 PRO 2 1HG PRO 2 -2.457 18.787 -10.442 11 HD2 PRO 2 2HD PRO 2 -5.018 18.195 -9.728 12 HD3 PRO 2 1HD PRO 2 -4.595 19.199 -11.130 13 H LEU 3 H LEU 3 -4.151 15.495 -9.890 14 HA LEU 3 HA LEU 3 -4.970 12.859 -10.312 15 HB2 LEU 3 2HB LEU 3 -2.024 13.317 -10.239 16 HB3 LEU 3 1HB LEU 3 -2.633 11.982 -9.288 17 HG LEU 3 HG LEU 3 -2.459 12.270 -12.255 18 HD11 LEU 3 1HD1 LEU 3 -1.588 10.031 -12.074 19 HD12 LEU 3 2HD1 LEU 3 -2.069 9.946 -10.379 20 HD13 LEU 3 3HD1 LEU 3 -0.790 11.053 -10.874 21 HD21 LEU 3 1HD2 LEU 3 -3.970 10.176 -12.309 22 HD22 LEU 3 2HD2 LEU 3 -4.735 11.762 -12.233 23 HD23 LEU 3 3HD2 LEU 3 -4.602 10.776 -10.781 24 H GLY 4 H GLY 4 -2.733 14.741 -8.320 25 HA2 GLY 4 2HA GLY 4 -2.534 14.957 -6.033 26 HA3 GLY 4 1HA GLY 4 -4.245 15.326 -6.159 27 H SER 5 H SER 5 -5.338 14.289 -4.643 28 HA SER 5 HA SER 5 -4.374 11.831 -3.502 29 HB2 SER 5 2HB SER 5 -6.858 12.060 -2.466 30 HB3 SER 5 1HB SER 5 -5.460 12.927 -1.828 31 HG SER 5 HG SER 5 -6.265 14.742 -2.531 32 H MET 6 H MET 6 -6.831 12.829 -5.801 33 HA MET 6 HA MET 6 -8.397 10.564 -6.021 34 HB2 MET 6 2HB MET 6 -7.423 12.315 -8.290 35 HB3 MET 6 1HB MET 6 -8.804 11.234 -8.355 36 HG2 MET 6 2HG MET 6 -8.598 13.558 -6.456 37 HG3 MET 6 1HG MET 6 -9.344 13.651 -8.053 38 HE1 MET 6 1HE MET 6 -9.109 12.090 -4.770 39 HE2 MET 6 2HE MET 6 -10.293 10.783 -4.833 40 HE3 MET 6 3HE MET 6 -10.740 12.346 -4.149 41 H GLY 7 H GLY 7 -5.094 11.020 -6.989 42 HA2 GLY 7 2HA GLY 7 -4.782 9.021 -8.895 43 HA3 GLY 7 1HA GLY 7 -3.526 9.577 -7.802 44 H GLU 8 H GLU 8 -5.312 8.709 -5.476 45 HA GLU 8 HA GLU 8 -4.085 6.353 -4.837 46 HB2 GLU 8 2HB GLU 8 -6.788 7.345 -3.959 47 HB3 GLU 8 1HB GLU 8 -6.017 5.925 -3.265 48 HG2 GLU 8 2HG GLU 8 -4.457 7.145 -2.148 49 HG3 GLU 8 1HG GLU 8 -4.478 8.465 -3.318 50 H LYS 9 H LYS 9 -6.615 6.643 -7.152 51 HA LYS 9 HA LYS 9 -7.732 4.070 -7.035 52 HB2 LYS 9 2HB LYS 9 -7.822 4.367 -9.633 53 HB3 LYS 9 1HB LYS 9 -8.748 5.467 -8.626 54 HG2 LYS 9 2HG LYS 9 -7.520 7.255 -9.209 55 HG3 LYS 9 1HG LYS 9 -6.015 6.342 -9.239 56 HD2 LYS 9 2HD LYS 9 -6.566 5.428 -11.406 57 HD3 LYS 9 1HD LYS 9 -8.143 6.224 -11.369 58 HE2 LYS 9 2HE LYS 9 -5.603 7.795 -11.119 59 HE3 LYS 9 1HE LYS 9 -6.231 7.334 -12.699 60 HZ1 LYS 9 1HZ LYS 9 -6.897 9.589 -11.559 61 HZ2 LYS 9 2HZ LYS 9 -8.065 8.619 -10.816 62 HZ3 LYS 9 3HZ LYS 9 -8.005 8.725 -12.504 63 H GLN 10 H GLN 10 -4.600 5.256 -7.875 64 HA GLN 10 HA GLN 10 -3.542 2.997 -9.249 65 HB2 GLN 10 2HB GLN 10 -2.509 5.218 -9.438 66 HB3 GLN 10 1HB GLN 10 -2.295 5.290 -7.690 67 HG2 GLN 10 2HG GLN 10 -0.981 2.964 -8.467 68 HG3 GLN 10 1HG GLN 10 -0.591 4.138 -9.718 69 HE21 GLN 10 1HE2 GLN 10 -0.645 3.724 -6.190 70 HE22 GLN 10 2HE2 GLN 10 0.736 4.717 -5.885 71 H SER 11 H SER 11 -4.703 1.551 -7.505 72 HA SER 11 HA SER 11 -4.483 1.076 -4.985 73 HB2 SER 11 2HB SER 11 -3.521 -1.358 -5.578 74 HB3 SER 11 1HB SER 11 -5.160 -0.861 -5.994 75 HG SER 11 HG SER 11 -2.976 -0.482 -7.753 76 H LYS 12 H LYS 12 -3.027 1.799 -3.524 77 HA LYS 12 HA LYS 12 -0.408 2.383 -3.743 78 HB2 LYS 12 2HB LYS 12 -1.757 1.120 -1.356 79 HB3 LYS 12 1HB LYS 12 -0.155 1.853 -1.305 80 HG2 LYS 12 2HG LYS 12 -1.118 3.980 -2.054 81 HG3 LYS 12 1HG LYS 12 -2.720 3.246 -2.037 82 HD2 LYS 12 2HD LYS 12 -2.127 2.686 0.439 83 HD3 LYS 12 1HD LYS 12 -0.942 3.979 0.241 84 HE2 LYS 12 2HE LYS 12 -3.827 4.350 -0.497 85 HE3 LYS 12 1HE LYS 12 -3.251 4.618 1.147 86 HZ1 LYS 12 1HZ LYS 12 -3.249 6.685 -0.027 87 HZ2 LYS 12 2HZ LYS 12 -2.349 6.032 -1.301 88 HZ3 LYS 12 3HZ LYS 12 -1.639 6.224 0.221 89 H GLY 13 H GLY 13 0.746 1.176 -5.065 90 HA2 GLY 13 2HA GLY 13 2.449 -0.453 -5.300 91 HA3 GLY 13 1HA GLY 13 1.642 -1.428 -4.062 92 H TYR 14 H TYR 14 1.506 -0.340 -7.397 93 HA TYR 14 HA TYR 14 -0.844 -1.312 -8.329 94 HB2 TYR 14 2HB TYR 14 0.729 -0.152 -9.756 95 HB3 TYR 14 1HB TYR 14 1.856 -1.498 -9.667 96 HD1 TYR 14 1HD TYR 14 -1.349 -0.323 -11.104 97 HD2 TYR 14 2HD TYR 14 1.566 -3.479 -11.027 98 HE1 TYR 14 1HE TYR 14 -2.371 -1.310 -13.143 99 HE2 TYR 14 2HE TYR 14 0.554 -4.474 -13.064 100 HH TYR 14 HH TYR 14 -2.492 -3.424 -14.320 101 H TRP 15 H TRP 15 -1.851 -3.186 -8.383 102 HA TRP 15 HA TRP 15 -0.505 -5.569 -7.522 103 HB2 TRP 15 2HB TRP 15 -2.631 -6.577 -7.372 104 HB3 TRP 15 1HB TRP 15 -2.896 -4.902 -6.919 105 HD1 TRP 15 HD TRP 15 -3.389 -7.224 -9.982 106 HE1 TRP 15 1HE TRP 15 -5.439 -6.397 -11.300 107 HE3 TRP 15 3HE TRP 15 -4.444 -2.999 -7.256 108 HZ2 TRP 15 2HZ TRP 15 -7.285 -4.232 -11.214 109 HZ3 TRP 15 3HZ TRP 15 -6.377 -1.591 -7.935 110 HH2 TRP 15 HH TRP 15 -7.769 -2.201 -9.877 111 H GLN 16 H GLN 16 0.443 -7.042 -8.749 112 HA GLN 16 HA GLN 16 0.179 -6.831 -11.642 113 HB2 GLN 16 2HB GLN 16 2.422 -7.046 -10.429 114 HB3 GLN 16 1HB GLN 16 1.987 -8.724 -10.148 115 HG2 GLN 16 2HG GLN 16 1.952 -9.191 -12.481 116 HG3 GLN 16 1HG GLN 16 2.111 -7.482 -12.881 117 HE21 GLN 16 1HE2 GLN 16 3.812 -9.404 -13.906 118 HE22 GLN 16 2HE2 GLN 16 5.395 -9.164 -13.258 119 H GLU 17 H GLU 17 -1.122 -8.097 -12.766 120 HA GLU 17 HA GLU 17 -2.907 -9.881 -11.693 121 HB2 GLU 17 2HB GLU 17 -1.818 -9.622 -14.486 122 HB3 GLU 17 1HB GLU 17 -3.075 -10.785 -14.089 123 HG2 GLU 17 2HG GLU 17 -4.527 -8.982 -13.340 124 HG3 GLU 17 1HG GLU 17 -3.261 -7.806 -13.692 125 H ASP 18 H ASP 18 -3.175 -12.192 -12.054 126 HA ASP 18 HA ASP 18 -1.127 -13.684 -10.903 127 HB2 ASP 18 2HB ASP 18 -3.387 -14.728 -12.619 128 HB3 ASP 18 1HB ASP 18 -2.462 -15.649 -11.439 129 H GLU 19 H GLU 19 -2.246 -13.780 -14.274 130 HA GLU 19 HA GLU 19 -0.242 -15.499 -15.210 131 HB2 GLU 19 2HB GLU 19 -1.886 -13.432 -16.673 132 HB3 GLU 19 1HB GLU 19 -0.878 -14.636 -17.464 133 HG2 GLU 19 2HG GLU 19 -2.271 -16.376 -16.899 134 HG3 GLU 19 1HG GLU 19 -2.950 -15.520 -15.515 135 H ASP 20 H ASP 20 -0.409 -11.970 -15.126 136 HA ASP 20 HA ASP 20 1.943 -11.448 -16.560 137 HB2 ASP 20 2HB ASP 20 0.580 -9.841 -14.391 138 HB3 ASP 20 1HB ASP 20 1.902 -9.236 -15.386 139 H ALA 21 H ALA 21 1.441 -12.437 -13.257 140 HA ALA 21 HA ALA 21 4.351 -12.252 -12.812 141 HB1 ALA 21 1HB ALA 21 4.072 -11.565 -10.639 142 HB2 ALA 21 2HB ALA 21 2.454 -12.254 -10.517 143 HB3 ALA 21 3HB ALA 21 2.710 -10.762 -11.421 144 HA PRO 22 HA PRO 22 3.095 -16.710 -12.460 145 HB2 PRO 22 2HB PRO 22 5.006 -17.747 -14.033 146 HB3 PRO 22 1HB PRO 22 3.530 -17.046 -14.704 147 HG2 PRO 22 2HG PRO 22 6.254 -15.826 -14.451 148 HG3 PRO 22 1HG PRO 22 5.144 -15.800 -15.834 149 HD2 PRO 22 2HD PRO 22 5.393 -13.728 -14.083 150 HD3 PRO 22 1HD PRO 22 3.888 -14.089 -14.951 151 H ALA 23 H ALA 23 6.022 -14.921 -11.946 152 HA ALA 23 HA ALA 23 6.854 -16.909 -9.951 153 HB1 ALA 23 1HB ALA 23 9.237 -16.290 -10.524 154 HB2 ALA 23 2HB ALA 23 8.594 -15.527 -11.978 155 HB3 ALA 23 3HB ALA 23 8.379 -17.259 -11.721 156 H CYS 24 H CYS 24 7.863 -16.078 -8.099 157 HA CYS 24 HA CYS 24 6.885 -13.686 -7.097 158 HB2 CYS 24 2HB CYS 24 7.888 -15.683 -5.853 159 HB3 CYS 24 1HB CYS 24 9.453 -14.926 -6.134 160 HG CYS 24 HG CYS 24 8.454 -12.838 -4.752 161 H ASN 25 H ASN 25 7.392 -11.631 -7.387 162 HA ASN 25 HA ASN 25 9.422 -10.786 -9.148 163 HB2 ASN 25 2HB ASN 25 7.473 -9.454 -7.340 164 HB3 ASN 25 1HB ASN 25 8.844 -8.497 -7.891 165 HD21 ASN 25 1HD2 ASN 25 6.621 -10.876 -9.311 166 HD22 ASN 25 2HD2 ASN 25 6.246 -9.937 -10.713 167 H GLY 26 H GLY 26 9.480 -11.439 -5.746 168 HA2 GLY 26 2HA GLY 26 11.804 -9.789 -5.247 169 HA3 GLY 26 1HA GLY 26 11.012 -10.850 -4.097 170 H CYS 27 H CYS 27 11.309 -13.270 -4.643 171 HA CYS 27 HA CYS 27 14.168 -13.682 -4.907 172 HB2 CYS 27 2HB CYS 27 13.667 -15.984 -4.145 173 HB3 CYS 27 1HB CYS 27 13.047 -14.754 -3.049 174 HG CYS 27 HG CYS 27 11.026 -16.172 -3.232 175 H GLY 28 H GLY 28 11.270 -14.304 -6.747 176 HA2 GLY 28 2HA GLY 28 11.296 -14.721 -9.078 177 HA3 GLY 28 1HA GLY 28 12.951 -15.283 -8.931 178 H CYS 29 H CYS 29 10.616 -16.482 -6.664 179 HA CYS 29 HA CYS 29 10.992 -19.149 -7.716 180 HB2 CYS 29 2HB CYS 29 9.907 -19.932 -5.722 181 HB3 CYS 29 1HB CYS 29 11.031 -18.661 -5.263 182 HG CYS 29 HG CYS 29 8.108 -18.663 -4.677 183 H VAL 30 H VAL 30 9.408 -20.497 -8.536 184 HA VAL 30 HA VAL 30 7.274 -19.163 -9.919 185 HB VAL 30 HB VAL 30 7.389 -22.141 -9.795 186 HG11 VAL 30 1HG1 VAL 30 6.944 -21.733 -12.288 187 HG12 VAL 30 2HG1 VAL 30 6.656 -20.057 -11.816 188 HG13 VAL 30 3HG1 VAL 30 5.663 -21.348 -11.138 189 HG21 VAL 30 1HG2 VAL 30 9.694 -21.793 -10.093 190 HG22 VAL 30 2HG2 VAL 30 9.436 -20.391 -11.132 191 HG23 VAL 30 3HG2 VAL 30 9.066 -22.010 -11.726 192 H PHE 31 H PHE 31 5.093 -19.367 -9.629 193 HA PHE 31 HA PHE 31 4.260 -20.141 -6.953 194 HB2 PHE 31 2HB PHE 31 2.829 -18.693 -9.184 195 HB3 PHE 31 1HB PHE 31 2.077 -19.100 -7.643 196 HD1 PHE 31 1HD PHE 31 3.094 -18.168 -5.506 197 HD2 PHE 31 2HD PHE 31 4.148 -16.751 -9.425 198 HE1 PHE 31 1HE PHE 31 4.002 -16.085 -4.506 199 HE2 PHE 31 2HE PHE 31 5.057 -14.665 -8.428 200 HZ PHE 31 HZ PHE 31 4.988 -14.332 -5.966 201 H THR 32 H THR 32 3.135 -21.911 -6.466 202 HA THR 32 HA THR 32 2.047 -23.516 -8.687 203 HB THR 32 HB THR 32 2.672 -25.522 -7.550 204 HG1 THR 32 1HG THR 32 3.337 -23.814 -5.396 205 HG21 THR 32 1HG2 THR 32 5.163 -24.168 -6.872 206 HG22 THR 32 2HG2 THR 32 4.573 -23.819 -8.498 207 HG23 THR 32 3HG2 THR 32 4.852 -25.488 -8.000 208 H THR 33 H THR 33 0.441 -25.229 -7.724 209 HA THR 33 HA THR 33 -1.828 -23.894 -6.850 210 HB THR 33 HB THR 33 -1.221 -26.823 -6.420 211 HG1 THR 33 1HG THR 33 -1.685 -27.141 -8.477 212 HG21 THR 33 1HG2 THR 33 -3.910 -25.927 -7.202 213 HG22 THR 33 2HG2 THR 33 -3.413 -25.547 -5.552 214 HG23 THR 33 3HG2 THR 33 -3.408 -27.221 -6.112 215 H THR 34 H THR 34 0.753 -25.343 -4.996 216 HA THR 34 HA THR 34 -0.634 -25.294 -2.496 217 HB THR 34 HB THR 34 2.325 -25.244 -2.489 218 HG1 THR 34 1HG THR 34 2.381 -26.554 -4.142 219 HG21 THR 34 1HG2 THR 34 1.882 -27.408 -1.206 220 HG22 THR 34 2HG2 THR 34 0.191 -26.904 -1.211 221 HG23 THR 34 3HG2 THR 34 1.414 -25.885 -0.451 222 H VAL 35 H VAL 35 1.787 -23.196 -4.037 223 HA VAL 35 HA VAL 35 1.754 -21.336 -1.832 224 HB VAL 35 HB VAL 35 2.992 -20.991 -4.565 225 HG11 VAL 35 1HG1 VAL 35 4.328 -19.248 -3.563 226 HG12 VAL 35 2HG1 VAL 35 3.589 -19.544 -1.988 227 HG13 VAL 35 3HG1 VAL 35 2.618 -18.894 -3.310 228 HG21 VAL 35 1HG2 VAL 35 5.038 -21.407 -2.753 229 HG22 VAL 35 2HG2 VAL 35 4.430 -22.576 -3.926 230 HG23 VAL 35 3HG2 VAL 35 3.811 -22.582 -2.274 231 H ARG 36 H ARG 36 0.007 -20.144 -1.556 232 HA ARG 36 HA ARG 36 -1.728 -19.347 -3.696 233 HB2 ARG 36 2HB ARG 36 -1.673 -18.425 -0.811 234 HB3 ARG 36 1HB ARG 36 -2.988 -18.164 -1.950 235 HG2 ARG 36 2HG ARG 36 -2.814 -20.827 -2.103 236 HG3 ARG 36 1HG ARG 36 -2.219 -20.596 -0.461 237 HD2 ARG 36 2HD ARG 36 -4.593 -19.010 -1.018 238 HD3 ARG 36 1HD ARG 36 -4.866 -20.738 -1.240 239 HE ARG 36 HE ARG 36 -3.503 -20.135 1.202 240 HH11 ARG 36 1HH1 ARG 36 -6.667 -20.285 -0.282 241 HH12 ARG 36 2HH1 ARG 36 -7.481 -20.604 1.213 242 HH21 ARG 36 1HH2 ARG 36 -4.581 -20.555 3.154 243 HH22 ARG 36 2HH2 ARG 36 -6.302 -20.752 3.158 244 H ARG 37 H ARG 37 -2.284 -16.989 -4.065 245 HA ARG 37 HA ARG 37 0.212 -15.554 -4.414 246 HB2 ARG 37 2HB ARG 37 -1.761 -15.839 -6.133 247 HB3 ARG 37 1HB ARG 37 -2.398 -14.419 -5.311 248 HG2 ARG 37 2HG ARG 37 -0.472 -13.140 -5.858 249 HG3 ARG 37 1HG ARG 37 0.372 -14.565 -6.458 250 HD2 ARG 37 2HD ARG 37 -2.143 -13.446 -7.684 251 HD3 ARG 37 1HD ARG 37 -0.519 -13.058 -8.230 252 HE ARG 37 HE ARG 37 -0.294 -15.200 -9.100 253 HH11 ARG 37 1HH1 ARG 37 -3.397 -14.855 -7.503 254 HH12 ARG 37 2HH1 ARG 37 -4.043 -16.293 -8.208 255 HH21 ARG 37 1HH2 ARG 37 -1.161 -17.086 -10.004 256 HH22 ARG 37 2HH2 ARG 37 -2.781 -17.558 -9.618 257 H HIS 38 H HIS 38 0.559 -13.381 -3.872 258 HA HIS 38 HA HIS 38 -1.204 -12.003 -2.056 259 HB2 HIS 38 2HB HIS 38 1.518 -12.899 -1.078 260 HB3 HIS 38 1HB HIS 38 0.398 -11.856 -0.207 261 HD1 HIS 38 1HD HIS 38 -2.074 -13.135 0.175 262 HD2 HIS 38 2HD HIS 38 1.330 -15.471 -0.300 263 HE1 HIS 38 1HE HIS 38 -2.662 -15.384 1.135 264 HE2 HIS 38 2HE HIS 38 -0.574 -16.770 0.873 265 H HIS 39 H HIS 39 -0.836 -9.809 -2.073 266 HA HIS 39 HA HIS 39 1.363 -8.902 -3.805 267 HB2 HIS 39 2HB HIS 39 -1.199 -7.466 -3.081 268 HB3 HIS 39 1HB HIS 39 0.024 -6.897 -4.213 269 HD1 HIS 39 1HD HIS 39 0.208 -10.055 -5.277 270 HD2 HIS 39 2HD HIS 39 -2.999 -7.418 -5.318 271 HE1 HIS 39 1HE HIS 39 -1.326 -10.894 -7.082 272 HE2 HIS 39 2HE HIS 39 -3.208 -9.220 -7.160 273 H CYS 40 H CYS 40 2.474 -6.943 -3.297 274 HA CYS 40 HA CYS 40 2.821 -6.606 -0.404 275 HB2 CYS 40 2HB CYS 40 4.829 -7.037 -1.665 276 HB3 CYS 40 1HB CYS 40 4.453 -5.748 -2.787 277 HG CYS 40 HG CYS 40 5.205 -4.031 -1.090 278 H ARG 41 H ARG 41 2.113 -4.833 0.647 279 HA ARG 41 HA ARG 41 0.297 -3.067 -0.554 280 HB2 ARG 41 2HB ARG 41 1.765 -2.649 2.049 281 HB3 ARG 41 1HB ARG 41 0.247 -1.904 1.567 282 HG2 ARG 41 2HG ARG 41 0.556 -4.881 1.822 283 HG3 ARG 41 1HG ARG 41 0.113 -3.851 3.183 284 HD2 ARG 41 2HD ARG 41 -1.386 -3.958 0.571 285 HD3 ARG 41 1HD ARG 41 -1.823 -4.884 2.007 286 HE ARG 41 HE ARG 41 -1.599 -2.029 2.404 287 HH11 ARG 41 1HH1 ARG 41 -3.744 -4.672 1.592 288 HH12 ARG 41 2HH1 ARG 41 -5.164 -3.837 2.122 289 HH21 ARG 41 1HH2 ARG 41 -3.467 -0.943 3.095 290 HH22 ARG 41 2HH2 ARG 41 -5.008 -1.724 2.974 291 H ASN 42 H ASN 42 3.701 -2.900 -0.467 292 HA ASN 42 HA ASN 42 3.785 -0.026 -0.871 293 HB2 ASN 42 2HB ASN 42 5.871 -2.154 -0.522 294 HB3 ASN 42 1HB ASN 42 6.299 -0.520 -0.992 295 HD21 ASN 42 1HD2 ASN 42 5.940 -2.576 1.500 296 HD22 ASN 42 2HD2 ASN 42 5.728 -1.459 2.794 297 H CYS 43 H CYS 43 5.412 -2.725 -2.560 298 HA CYS 43 HA CYS 43 5.485 -1.201 -4.996 299 HB2 CYS 43 2HB CYS 43 6.667 -3.136 -5.941 300 HB3 CYS 43 1HB CYS 43 7.374 -2.624 -4.415 301 HG CYS 43 HG CYS 43 6.109 -4.721 -3.332 302 H GLY 44 H GLY 44 3.722 -4.059 -3.843 303 HA2 GLY 44 2HA GLY 44 1.495 -4.533 -4.544 304 HA3 GLY 44 1HA GLY 44 1.792 -3.596 -5.989 305 H TYR 45 H TYR 45 4.460 -5.236 -6.040 306 HA TYR 45 HA TYR 45 3.694 -6.981 -8.074 307 HB2 TYR 45 2HB TYR 45 6.138 -7.180 -6.301 308 HB3 TYR 45 1HB TYR 45 5.940 -7.928 -7.882 309 HD1 TYR 45 2HD TYR 45 4.693 -5.719 -9.427 310 HD2 TYR 45 1HD TYR 45 7.921 -5.648 -6.590 311 HE1 TYR 45 2HE TYR 45 5.595 -3.679 -10.515 312 HE2 TYR 45 1HE TYR 45 8.831 -3.603 -7.670 313 HH TYR 45 HH TYR 45 7.044 -1.798 -10.010 314 H VAL 46 H VAL 46 3.930 -9.388 -8.013 315 HA VAL 46 HA VAL 46 2.363 -10.366 -5.800 316 HB VAL 46 HB VAL 46 3.405 -11.853 -8.219 317 HG11 VAL 46 1HG1 VAL 46 2.987 -13.372 -6.383 318 HG12 VAL 46 2HG1 VAL 46 1.712 -13.546 -7.591 319 HG13 VAL 46 3HG1 VAL 46 1.408 -12.644 -6.108 320 HG21 VAL 46 1HG2 VAL 46 0.613 -10.845 -7.665 321 HG22 VAL 46 2HG2 VAL 46 1.208 -11.578 -9.152 322 HG23 VAL 46 3HG2 VAL 46 1.785 -9.988 -8.662 323 H LEU 47 H LEU 47 3.028 -11.547 -4.139 324 HA LEU 47 HA LEU 47 5.772 -12.598 -4.148 325 HB2 LEU 47 2HB LEU 47 4.442 -10.959 -1.996 326 HB3 LEU 47 1HB LEU 47 5.892 -11.902 -1.723 327 HG LEU 47 HG LEU 47 6.480 -9.603 -2.034 328 HD11 LEU 47 1HD1 LEU 47 8.066 -11.173 -2.920 329 HD12 LEU 47 2HD1 LEU 47 8.001 -9.755 -3.959 330 HD13 LEU 47 3HD1 LEU 47 7.193 -11.242 -4.447 331 HD21 LEU 47 1HD2 LEU 47 4.351 -9.397 -3.662 332 HD22 LEU 47 2HD2 LEU 47 5.675 -9.394 -4.828 333 HD23 LEU 47 3HD2 LEU 47 5.641 -8.202 -3.528 334 H CYS 48 H CYS 48 6.073 -14.495 -3.058 335 HA CYS 48 HA CYS 48 3.692 -16.014 -2.441 336 HB2 CYS 48 2HB CYS 48 5.188 -17.923 -2.221 337 HB3 CYS 48 1HB CYS 48 5.576 -17.032 -3.688 338 HG CYS 48 HG CYS 48 7.500 -15.969 -1.862 339 H GLY 49 H GLY 49 4.340 -17.653 -0.401 340 HA2 GLY 49 2HA GLY 49 3.771 -16.131 1.875 341 HA3 GLY 49 1HA GLY 49 4.329 -17.795 1.890 342 H ASP 50 H ASP 50 6.832 -17.820 1.148 343 HA ASP 50 HA ASP 50 8.303 -16.909 3.300 344 HB2 ASP 50 2HB ASP 50 9.187 -17.588 0.495 345 HB3 ASP 50 1HB ASP 50 10.315 -17.264 1.807 346 H CYS 51 H CYS 51 8.121 -15.448 0.068 347 HA CYS 51 HA CYS 51 9.764 -13.237 0.693 348 HB2 CYS 51 2HB CYS 51 8.007 -14.030 -1.551 349 HB3 CYS 51 1HB CYS 51 8.352 -12.310 -1.402 350 HG CYS 51 HG CYS 51 10.968 -13.120 -1.451 351 H SER 52 H SER 52 6.401 -13.857 1.253 352 HA SER 52 HA SER 52 6.060 -11.051 2.085 353 HB2 SER 52 2HB SER 52 3.739 -11.192 1.589 354 HB3 SER 52 1HB SER 52 4.574 -11.904 0.207 355 HG SER 52 HG SER 52 2.983 -13.321 0.711 356 H ARG 53 H ARG 53 7.355 -12.712 3.776 357 HA ARG 53 HA ARG 53 5.417 -13.646 5.763 358 HB2 ARG 53 2HB ARG 53 8.178 -14.311 5.043 359 HB3 ARG 53 1HB ARG 53 7.945 -14.152 6.776 360 HG2 ARG 53 2HG ARG 53 5.989 -15.753 6.505 361 HG3 ARG 53 1HG ARG 53 6.617 -16.067 4.885 362 HD2 ARG 53 2HD ARG 53 8.867 -16.289 6.421 363 HD3 ARG 53 1HD ARG 53 7.631 -16.926 7.499 364 HE ARG 53 HE ARG 53 8.541 -18.075 4.988 365 HH11 ARG 53 1HH1 ARG 53 6.156 -18.174 7.551 366 HH12 ARG 53 2HH1 ARG 53 5.741 -19.826 7.257 367 HH21 ARG 53 1HH2 ARG 53 7.982 -20.243 4.613 368 HH22 ARG 53 2HH2 ARG 53 6.770 -20.998 5.593 369 H HIS 54 H HIS 54 7.699 -11.103 5.149 370 HA HIS 54 HA HIS 54 8.038 -10.242 7.840 371 HB2 HIS 54 2HB HIS 54 8.552 -8.899 5.190 372 HB3 HIS 54 1HB HIS 54 8.962 -8.169 6.735 373 HD1 HIS 54 1HD HIS 54 10.762 -9.559 8.196 374 HD2 HIS 54 2HD HIS 54 10.423 -10.614 4.191 375 HE1 HIS 54 1HE HIS 54 12.843 -10.868 7.666 376 HE2 HIS 54 2HE HIS 54 12.665 -11.401 5.210 377 H ARG 55 H ARG 55 7.530 -7.946 8.448 378 HA ARG 55 HA ARG 55 4.995 -6.921 7.437 379 HB2 ARG 55 2HB ARG 55 5.420 -7.536 10.372 380 HB3 ARG 55 1HB ARG 55 4.021 -6.736 9.676 381 HG2 ARG 55 2HG ARG 55 3.749 -8.918 8.313 382 HG3 ARG 55 1HG ARG 55 4.802 -9.612 9.553 383 HD2 ARG 55 2HD ARG 55 3.237 -8.732 11.278 384 HD3 ARG 55 1HD ARG 55 2.171 -8.206 9.988 385 HE ARG 55 HE ARG 55 1.733 -10.476 9.455 386 HH11 ARG 55 1HH1 ARG 55 3.674 -10.163 12.376 387 HH12 ARG 55 2HH1 ARG 55 3.224 -11.724 12.961 388 HH21 ARG 55 1HH2 ARG 55 1.170 -12.508 10.258 389 HH22 ARG 55 2HH2 ARG 55 1.813 -13.045 11.774 390 H ALA 56 H ALA 56 4.863 -4.705 7.601 391 HA ALA 56 HA ALA 56 6.481 -3.208 9.431 392 HB1 ALA 56 1HB ALA 56 7.244 -3.266 6.520 393 HB2 ALA 56 2HB ALA 56 8.253 -3.651 7.914 394 HB3 ALA 56 3HB ALA 56 7.740 -1.988 7.629 395 H ALA 57 H ALA 57 5.673 -1.194 9.753 396 HA ALA 57 HA ALA 57 3.163 -0.538 8.566 397 HB1 ALA 57 1HB ALA 57 3.016 0.526 10.515 398 HB2 ALA 57 2HB ALA 57 4.112 1.750 9.874 399 HB3 ALA 57 3HB ALA 57 4.752 0.383 10.788 400 H ILE 58 H ILE 58 2.657 1.227 7.213 401 HA ILE 58 HA ILE 58 4.962 2.386 5.788 402 HB ILE 58 HB ILE 58 2.410 1.868 4.316 403 HG12 ILE 58 2HG1 ILE 58 4.652 -0.155 4.569 404 HG13 ILE 58 1HG1 ILE 58 3.090 -0.303 5.364 405 HG21 ILE 58 1HG2 ILE 58 4.084 3.293 3.326 406 HG22 ILE 58 2HG2 ILE 58 3.945 1.794 2.412 407 HG23 ILE 58 3HG2 ILE 58 5.297 2.034 3.508 408 HD11 ILE 58 1HD1 ILE 58 3.734 -1.371 2.949 409 HD12 ILE 58 2HD1 ILE 58 2.909 0.115 2.481 410 HD13 ILE 58 3HD1 ILE 58 2.096 -1.054 3.517 411 HA PRO 59 HA PRO 59 2.242 5.786 7.467 412 HB2 PRO 59 2HB PRO 59 4.359 7.484 7.894 413 HB3 PRO 59 1HB PRO 59 3.735 6.354 9.100 414 HG2 PRO 59 2HG PRO 59 6.080 6.061 7.264 415 HG3 PRO 59 1HG PRO 59 5.941 5.633 8.979 416 HD2 PRO 59 2HD PRO 59 5.775 3.772 7.058 417 HD3 PRO 59 1HD PRO 59 4.779 3.677 8.526 418 H MET 60 H MET 60 4.780 5.658 5.054 419 HA MET 60 HA MET 60 4.212 8.192 3.876 420 HB2 MET 60 2HB MET 60 5.570 5.798 2.626 421 HB3 MET 60 1HB MET 60 5.637 7.454 2.043 422 HG2 MET 60 2HG MET 60 6.844 8.138 4.022 423 HG3 MET 60 1HG MET 60 6.710 6.514 4.692 424 HE1 MET 60 1HE MET 60 8.815 8.935 2.693 425 HE2 MET 60 2HE MET 60 7.853 8.318 1.350 426 HE3 MET 60 3HE MET 60 9.579 7.964 1.435 427 H ARG 61 H ARG 61 2.977 4.949 3.464 428 HA ARG 61 HA ARG 61 1.387 5.815 1.162 429 HB2 ARG 61 2HB ARG 61 1.624 3.014 2.253 430 HB3 ARG 61 1HB ARG 61 1.001 3.505 0.684 431 HG2 ARG 61 2HG ARG 61 3.851 3.956 1.522 432 HG3 ARG 61 1HG ARG 61 3.305 2.501 0.690 433 HD2 ARG 61 2HD ARG 61 2.728 5.216 -0.427 434 HD3 ARG 61 1HD ARG 61 4.297 4.451 -0.681 435 HE ARG 61 HE ARG 61 2.189 2.681 -1.357 436 HH11 ARG 61 1HH1 ARG 61 3.924 5.477 -2.546 437 HH12 ARG 61 2HH1 ARG 61 3.582 5.132 -4.207 438 HH21 ARG 61 1HH2 ARG 61 1.749 2.235 -3.540 439 HH22 ARG 61 2HH2 ARG 61 2.347 3.295 -4.771 440 H GLY 62 H GLY 62 0.868 6.469 4.096 441 HA2 GLY 62 2HA GLY 62 -1.077 6.908 5.258 442 HA3 GLY 62 1HA GLY 62 -1.973 6.145 3.957 443 H ILE 63 H ILE 63 0.576 4.409 5.555 444 HA ILE 63 HA ILE 63 -1.440 2.812 7.001 445 HB ILE 63 HB ILE 63 1.081 1.778 5.704 446 HG12 ILE 63 2HG1 ILE 63 -1.726 1.105 4.872 447 HG13 ILE 63 1HG1 ILE 63 -0.902 2.515 4.215 448 HG21 ILE 63 1HG2 ILE 63 -1.157 0.148 6.861 449 HG22 ILE 63 2HG2 ILE 63 0.267 0.615 7.791 450 HG23 ILE 63 3HG2 ILE 63 0.446 -0.390 6.352 451 HD11 ILE 63 1HD1 ILE 63 -0.527 -0.333 3.650 452 HD12 ILE 63 2HD1 ILE 63 0.957 0.602 3.814 453 HD13 ILE 63 3HD1 ILE 63 -0.255 1.080 2.629 454 H THR 64 H THR 64 -1.077 3.967 8.932 455 HA THR 64 HA THR 64 1.552 4.268 10.027 456 HB THR 64 HB THR 64 0.426 5.184 11.977 457 HG1 THR 64 1HG THR 64 -1.914 4.163 10.754 458 HG21 THR 64 1HG2 THR 64 0.566 6.613 9.954 459 HG22 THR 64 2HG2 THR 64 -0.781 7.004 11.024 460 HG23 THR 64 3HG2 THR 64 -1.070 6.100 9.537 461 H GLU 65 H GLU 65 -0.664 1.666 9.984 462 HA GLU 65 HA GLU 65 0.483 0.509 12.421 463 HB2 GLU 65 2HB GLU 65 -1.795 -0.566 10.758 464 HB3 GLU 65 1HB GLU 65 -1.327 -1.076 12.375 465 HG2 GLU 65 2HG GLU 65 -2.529 1.561 11.574 466 HG3 GLU 65 1HG GLU 65 -3.282 0.285 12.528 467 HA PRO 66 HA PRO 66 3.226 -2.199 10.246 468 HB2 PRO 66 2HB PRO 66 2.195 -4.294 12.124 469 HB3 PRO 66 1HB PRO 66 3.868 -3.854 11.749 470 HG2 PRO 66 2HG PRO 66 2.859 -3.032 14.020 471 HG3 PRO 66 1HG PRO 66 3.737 -1.862 13.011 472 HD2 PRO 66 2HD PRO 66 0.766 -2.262 13.268 473 HD3 PRO 66 1HD PRO 66 1.698 -0.748 13.342 474 H GLU 67 H GLU 67 2.770 -2.946 8.270 475 HA GLU 67 HA GLU 67 0.557 -4.869 7.986 476 HB2 GLU 67 2HB GLU 67 1.315 -2.638 6.103 477 HB3 GLU 67 1HB GLU 67 0.190 -3.920 5.697 478 HG2 GLU 67 2HG GLU 67 -0.131 -1.848 7.848 479 HG3 GLU 67 1HG GLU 67 -1.045 -1.980 6.347 480 H ARG 68 H ARG 68 0.735 -6.220 6.026 481 HA ARG 68 HA ARG 68 3.319 -7.427 5.952 482 HB2 ARG 68 2HB ARG 68 2.293 -9.066 4.459 483 HB3 ARG 68 1HB ARG 68 1.302 -8.776 5.883 484 HG2 ARG 68 2HG ARG 68 -0.089 -7.227 4.511 485 HG3 ARG 68 1HG ARG 68 0.840 -7.734 3.098 486 HD2 ARG 68 2HD ARG 68 0.159 -10.067 3.531 487 HD3 ARG 68 1HD ARG 68 -0.829 -9.505 4.878 488 HE ARG 68 HE ARG 68 -1.428 -8.237 2.364 489 HH11 ARG 68 1HH1 ARG 68 -2.127 -10.965 4.438 490 HH12 ARG 68 2HH1 ARG 68 -3.696 -11.234 3.756 491 HH21 ARG 68 1HH2 ARG 68 -3.487 -8.596 1.474 492 HH22 ARG 68 2HH2 ARG 68 -4.467 -9.893 2.076 493 H VAL 69 H VAL 69 4.843 -7.426 4.460 494 HA VAL 69 HA VAL 69 4.425 -6.188 1.843 495 HB VAL 69 HB VAL 69 6.453 -4.818 2.042 496 HG11 VAL 69 1HG1 VAL 69 4.499 -3.602 2.389 497 HG12 VAL 69 2HG1 VAL 69 5.536 -3.167 3.751 498 HG13 VAL 69 3HG1 VAL 69 4.224 -4.319 3.979 499 HG21 VAL 69 1HG2 VAL 69 7.429 -4.408 4.294 500 HG22 VAL 69 2HG2 VAL 69 7.693 -6.049 3.700 501 HG23 VAL 69 3HG2 VAL 69 6.451 -5.738 4.917 502 H CYS 70 H CYS 70 6.915 -6.275 0.844 503 HA CYS 70 HA CYS 70 7.565 -9.117 1.016 504 HB2 CYS 70 2HB CYS 70 8.287 -9.016 -1.204 505 HB3 CYS 70 1HB CYS 70 6.919 -7.919 -1.175 506 HG CYS 70 HG CYS 70 9.228 -7.061 -2.421 507 H ASP 71 H ASP 71 10.195 -8.798 -0.186 508 HA ASP 71 HA ASP 71 11.622 -8.205 2.259 509 HB2 ASP 71 2HB ASP 71 12.536 -9.255 -0.425 510 HB3 ASP 71 1HB ASP 71 13.633 -8.957 0.918 511 H ALA 72 H ALA 72 11.706 -7.035 -1.104 512 HA ALA 72 HA ALA 72 13.638 -5.055 -0.766 513 HB1 ALA 72 1HB ALA 72 12.016 -3.985 -2.683 514 HB2 ALA 72 2HB ALA 72 11.586 -5.694 -2.754 515 HB3 ALA 72 3HB ALA 72 13.264 -5.197 -2.972 516 H CYS 73 H CYS 73 10.134 -4.495 -0.978 517 HA CYS 73 HA CYS 73 10.075 -1.874 -0.182 518 HB2 CYS 73 2HB CYS 73 7.981 -3.986 0.396 519 HB3 CYS 73 1HB CYS 73 7.723 -2.237 0.384 520 HG CYS 73 HG CYS 73 8.791 -3.112 -2.281 521 H TYR 74 H TYR 74 10.114 -4.750 1.902 522 HA TYR 74 HA TYR 74 9.676 -3.417 4.347 523 HB2 TYR 74 2HB TYR 74 9.591 -5.855 4.214 524 HB3 TYR 74 1HB TYR 74 11.295 -5.917 3.780 525 HD1 TYR 74 1HD TYR 74 8.907 -5.160 6.532 526 HD2 TYR 74 2HD TYR 74 13.014 -5.827 5.455 527 HE1 TYR 74 1HE TYR 74 9.505 -5.327 8.937 528 HE2 TYR 74 2HE TYR 74 13.622 -5.997 7.856 529 HH TYR 74 HH TYR 74 11.369 -6.413 10.311 530 H LEU 75 H LEU 75 12.488 -3.871 2.335 531 HA LEU 75 HA LEU 75 14.331 -2.703 4.219 532 HB2 LEU 75 2HB LEU 75 14.453 -3.842 1.481 533 HB3 LEU 75 1HB LEU 75 15.670 -2.654 1.892 534 HG LEU 75 HG LEU 75 15.159 -5.091 3.591 535 HD11 LEU 75 1HD1 LEU 75 15.855 -5.454 1.082 536 HD12 LEU 75 2HD1 LEU 75 16.615 -6.372 2.382 537 HD13 LEU 75 3HD1 LEU 75 17.442 -4.978 1.687 538 HD21 LEU 75 1HD2 LEU 75 17.246 -4.618 4.574 539 HD22 LEU 75 2HD2 LEU 75 16.406 -3.070 4.483 540 HD23 LEU 75 3HD2 LEU 75 17.667 -3.458 3.315 541 H ALA 76 H ALA 76 12.701 -1.800 1.228 542 HA ALA 76 HA ALA 76 13.760 0.708 0.757 543 HB1 ALA 76 1HB ALA 76 11.771 -0.785 -0.368 544 HB2 ALA 76 2HB ALA 76 12.183 0.866 -0.829 545 HB3 ALA 76 3HB ALA 76 10.869 0.571 0.309 546 H LEU 77 H LEU 77 10.916 -0.098 2.745 547 HA LEU 77 HA LEU 77 10.483 2.556 3.632 548 HB2 LEU 77 2HB LEU 77 9.666 -0.120 4.740 549 HB3 LEU 77 1HB LEU 77 9.197 1.396 5.488 550 HG LEU 77 HG LEU 77 8.593 0.757 2.611 551 HD11 LEU 77 1HD1 LEU 77 7.468 -0.944 3.732 552 HD12 LEU 77 2HD1 LEU 77 6.261 0.322 3.522 553 HD13 LEU 77 3HD1 LEU 77 7.043 0.102 5.088 554 HD21 LEU 77 1HD2 LEU 77 7.076 2.569 2.714 555 HD22 LEU 77 2HD2 LEU 77 8.574 3.141 3.451 556 HD23 LEU 77 3HD2 LEU 77 7.212 2.677 4.471 557 H ARG 78 H ARG 78 12.394 -0.138 4.780 558 HA ARG 78 HA ARG 78 13.270 0.949 7.241 559 HB2 ARG 78 2HB ARG 78 13.749 -1.388 5.753 560 HB3 ARG 78 1HB ARG 78 15.319 -0.613 5.875 561 HG2 ARG 78 2HG ARG 78 15.120 -0.570 8.305 562 HG3 ARG 78 1HG ARG 78 13.529 -1.330 8.186 563 HD2 ARG 78 2HD ARG 78 14.393 -3.360 7.530 564 HD3 ARG 78 1HD ARG 78 15.864 -2.642 6.880 565 HE ARG 78 HE ARG 78 15.600 -2.429 9.743 566 HH11 ARG 78 1HH1 ARG 78 16.787 -4.386 7.093 567 HH12 ARG 78 2HH1 ARG 78 17.923 -5.242 8.078 568 HH21 ARG 78 1HH2 ARG 78 17.097 -3.568 11.029 569 HH22 ARG 78 2HH2 ARG 78 18.098 -4.781 10.305 570 H SER 79 H SER 79 14.154 1.417 3.896 571 HA SER 79 HA SER 79 16.620 2.702 4.200 572 HB2 SER 79 2HB SER 79 14.677 3.363 1.992 573 HB3 SER 79 1HB SER 79 16.433 3.299 1.931 574 HG SER 79 HG SER 79 16.111 1.353 1.203 575 H SER 80 H SER 80 13.464 3.759 5.046 576 HA SER 80 HA SER 80 13.790 6.564 4.705 577 HB2 SER 80 2HB SER 80 11.616 5.186 5.211 578 HB3 SER 80 1HB SER 80 12.113 5.350 6.895 579 HG SER 80 HG SER 80 10.762 7.059 6.354 580 H ASN 81 H ASN 81 16.074 6.431 5.449 581 HA ASN 81 HA ASN 81 17.214 5.822 7.741 582 HB2 ASN 81 2HB ASN 81 17.569 8.068 5.878 583 HB3 ASN 81 1HB ASN 81 18.335 8.274 7.450 584 HD21 ASN 81 1HD2 ASN 81 17.858 5.148 5.895 585 HD22 ASN 81 2HD2 ASN 81 19.531 4.833 5.618 586 H MET 82 H MET 82 17.509 6.489 9.776 587 HA MET 82 HA MET 82 15.341 7.535 11.185 588 HB2 MET 82 2HB MET 82 18.059 7.812 12.392 589 HB3 MET 82 1HB MET 82 16.563 7.264 13.120 590 HG2 MET 82 2HG MET 82 17.333 5.208 12.970 591 HG3 MET 82 1HG MET 82 17.138 5.319 11.231 592 HE1 MET 82 1HE MET 82 19.922 7.869 11.676 593 HE2 MET 82 2HE MET 82 19.219 7.220 10.196 594 HE3 MET 82 3HE MET 82 20.904 6.891 10.592 595 H ALA 83 H ALA 83 14.705 9.526 11.762 596 HA ALA 83 HA ALA 83 16.239 11.787 10.729 597 HB1 ALA 83 1HB ALA 83 13.991 11.908 10.063 598 HB2 ALA 83 2HB ALA 83 14.140 13.073 11.376 599 HB3 ALA 83 3HB ALA 83 13.404 11.500 11.677 600 H GLY 84 H GLY 84 17.023 10.318 13.207 601 HA2 GLY 84 2HA GLY 84 17.901 12.445 14.746 602 HA3 GLY 84 1HA GLY 84 16.382 11.928 15.455
Contact the webmaster for help, if required. Tuesday, May 28, 2024 9:04:10 PM GMT (wattos1)