![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
![]() |
5226 |
1gpx ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 3HT SER 1 3.394 -11.418 -11.418 2 2H SER 1 2HT SER 1 1.765 -10.955 -10.955 3 3H SER 1 1HT SER 1 2.302 -11.832 -11.832 4 HA SER 1 HA SER 1 3.023 -10.010 -10.010 5 1HB SER 1 2HB SER 1 1.752 -8.370 -8.370 6 2HB SER 1 1HB SER 1 1.537 -8.258 -8.258 7 HG SER 1 HG SER 1 0.399 -10.252 -10.252 8 H LYS 2 H LYS 2 4.338 -7.992 -7.992 9 HA LYS 2 HA LYS 2 6.472 -8.216 -8.216 10 1HB LYS 2 2HB LYS 2 6.520 -7.835 -7.835 11 2HB LYS 2 1HB LYS 2 6.398 -6.144 -6.144 12 1HG LYS 2 2HG LYS 2 8.313 -6.982 -6.982 13 2HG LYS 2 1HG LYS 2 8.634 -8.064 -8.064 14 1HD LYS 2 2HD LYS 2 8.202 -5.569 -5.569 15 2HD LYS 2 1HD LYS 2 9.171 -5.214 -5.214 16 1HE LYS 2 2HE LYS 2 9.845 -7.114 -7.114 17 2HE LYS 2 1HE LYS 2 10.770 -5.705 -5.705 18 1HZ LYS 2 1HZ LYS 2 10.606 -6.998 -6.998 19 2HZ LYS 2 3HZ LYS 2 10.478 -8.342 -8.342 20 3HZ LYS 2 2HZ LYS 2 11.843 -7.335 -7.335 21 H VAL 3 H VAL 3 6.204 -7.026 -7.026 22 HA VAL 3 HA VAL 3 4.804 -4.387 -4.387 23 HB VAL 3 HB VAL 3 4.705 -6.625 -6.625 24 1HG1 VAL 3 1HG1 VAL 3 4.004 -3.726 -3.726 25 2HG1 VAL 3 3HG1 VAL 3 3.647 -5.095 -5.095 26 3HG1 VAL 3 2HG1 VAL 3 5.322 -4.636 -4.636 27 1HG2 VAL 3 3HG2 VAL 3 3.032 -5.984 -5.984 28 2HG2 VAL 3 2HG2 VAL 3 2.418 -6.528 -6.528 29 3HG2 VAL 3 1HG2 VAL 3 2.460 -4.807 -4.807 30 H VAL 4 H VAL 4 5.793 -2.645 -2.645 31 HA VAL 4 HA VAL 4 8.404 -3.202 -3.202 32 HB VAL 4 HB VAL 4 7.663 -1.310 -1.310 33 1HG1 VAL 4 1HG1 VAL 4 9.419 -0.749 -0.749 34 2HG1 VAL 4 3HG1 VAL 4 10.264 -0.645 -0.645 35 3HG1 VAL 4 2HG1 VAL 4 8.831 0.342 0.342 36 1HG2 VAL 4 3HG2 VAL 4 9.362 -3.641 -3.641 37 2HG2 VAL 4 2HG2 VAL 4 8.822 -2.891 -2.891 38 3HG2 VAL 4 1HG2 VAL 4 10.263 -2.287 -2.287 39 H TYR 5 H TYR 5 8.566 -2.271 -2.271 40 HA TYR 5 HA TYR 5 6.435 -0.374 -0.374 41 1HB TYR 5 2HB TYR 5 8.424 -2.040 -2.040 42 2HB TYR 5 1HB TYR 5 6.996 -1.231 -1.231 43 HD1 TYR 5 2HD TYR 5 4.791 -1.753 -1.753 44 HD2 TYR 5 1HD TYR 5 8.206 -4.338 -4.338 45 HE1 TYR 5 2HE TYR 5 3.368 -3.731 -3.731 46 HE2 TYR 5 1HE TYR 5 6.787 -6.271 -6.271 47 HH TYR 5 HH TYR 5 4.771 -6.949 -6.949 48 H VAL 6 H VAL 6 6.931 1.641 1.641 49 HA VAL 6 HA VAL 6 9.864 2.278 2.278 50 HB VAL 6 HB VAL 6 7.772 4.315 4.315 51 1HG1 VAL 6 1HG1 VAL 6 10.071 4.950 4.950 52 2HG1 VAL 6 3HG1 VAL 6 10.744 4.236 4.236 53 3HG1 VAL 6 2HG1 VAL 6 9.663 5.625 5.625 54 1HG2 VAL 6 2HG2 VAL 6 8.094 2.251 2.251 55 2HG2 VAL 6 1HG2 VAL 6 7.982 3.894 3.894 56 3HG2 VAL 6 3HG2 VAL 6 9.558 3.126 3.126 57 H SER 7 H SER 7 10.340 2.955 2.955 58 HA SER 7 HA SER 7 8.162 3.308 3.308 59 1HB SER 7 2HB SER 7 10.002 3.474 3.474 60 2HB SER 7 1HB SER 7 10.368 2.174 2.174 61 HG SER 7 HG SER 7 12.119 3.661 3.661 62 H HIS 8 H HIS 8 7.834 5.247 5.247 63 HA HIS 8 HA HIS 8 7.850 7.610 7.610 64 1HB HIS 8 2HB HIS 8 6.119 7.774 7.774 65 2HB HIS 8 1HB HIS 8 6.835 6.596 6.596 66 HD1 HIS 8 1HD HIS 8 5.462 9.595 9.595 67 HD2 HIS 8 2HD HIS 8 9.366 8.386 8.386 68 HE1 HIS 8 1HE HIS 8 6.377 11.219 11.219 69 H ASP 9 H ASP 9 10.340 6.166 6.166 70 HA ASP 9 HA ASP 9 11.686 8.706 8.706 71 1HB ASP 9 2HB ASP 9 13.176 7.301 7.301 72 2HB ASP 9 1HB ASP 9 11.600 6.537 6.537 73 H GLY 10 H GLY 10 11.425 6.517 6.517 74 1HA GLY 10 2HA GLY 10 12.394 7.200 7.200 75 2HA GLY 10 1HA GLY 10 13.822 7.733 7.733 76 H THR 11 H THR 11 12.284 4.654 4.654 77 HA THR 11 HA THR 11 14.673 3.296 3.296 78 HB THR 11 HB THR 11 13.829 3.308 3.308 79 HG1 THR 11 1HG THR 11 15.592 2.121 2.121 80 1HG2 THR 11 1HG2 THR 11 11.703 2.049 2.049 81 2HG2 THR 11 3HG2 THR 11 12.760 0.651 0.651 82 3HG2 THR 11 2HG2 THR 11 12.338 1.641 1.641 83 H ARG 12 H ARG 12 14.268 1.553 1.553 84 HA ARG 12 HA ARG 12 11.396 1.168 1.168 85 1HB ARG 12 2HB ARG 12 13.668 2.130 2.130 86 2HB ARG 12 1HB ARG 12 13.176 0.596 0.596 87 1HG ARG 12 2HG ARG 12 10.747 1.736 1.736 88 2HG ARG 12 1HG ARG 12 11.726 3.186 3.186 89 1HD ARG 12 2HD ARG 12 11.610 0.802 0.802 90 2HD ARG 12 1HD ARG 12 10.944 2.419 2.419 91 HE ARG 12 HE ARG 12 13.808 2.336 2.336 92 1HH1 ARG 12 1HH1 ARG 12 11.524 3.802 3.802 93 2HH1 ARG 12 2HH1 ARG 12 12.481 3.863 3.863 94 1HH2 ARG 12 1HH2 ARG 12 14.991 1.830 1.830 95 2HH2 ARG 12 2HH2 ARG 12 14.444 2.748 2.748 96 H ARG 13 H ARG 13 10.733 -0.929 -0.929 97 HA ARG 13 HA ARG 13 12.722 -3.150 -3.150 98 1HB ARG 13 2HB ARG 13 11.348 -2.535 -2.535 99 2HB ARG 13 1HB ARG 13 10.018 -3.334 -3.334 100 1HG ARG 13 2HG ARG 13 11.009 -5.405 -5.405 101 2HG ARG 13 1HG ARG 13 12.644 -4.743 -4.743 102 1HD ARG 13 2HD ARG 13 10.960 -4.148 -4.148 103 2HD ARG 13 1HD ARG 13 11.682 -5.764 -5.764 104 HE ARG 13 HE ARG 13 13.246 -3.213 -3.213 105 1HH1 ARG 13 1HH2 ARG 13 15.396 -4.284 -4.284 106 2HH1 ARG 13 2HH2 ARG 13 15.933 -5.525 -5.525 107 1HH2 ARG 13 1HH1 ARG 13 12.870 -5.825 -5.825 108 2HH2 ARG 13 2HH1 ARG 13 14.502 -6.399 -6.399 109 H GLU 14 H GLU 14 12.105 -4.966 -4.966 110 HA GLU 14 HA GLU 14 9.540 -4.585 -4.585 111 1HB GLU 14 2HB GLU 14 12.142 -5.590 -5.590 112 2HB GLU 14 1HB GLU 14 10.702 -5.046 -5.046 113 1HG GLU 14 2HG GLU 14 12.039 -3.149 -3.149 114 2HG GLU 14 1HG GLU 14 11.139 -2.799 -2.799 115 H LEU 15 H LEU 15 8.276 -6.318 -6.318 116 HA LEU 15 HA LEU 15 9.507 -8.976 -8.976 117 1HB LEU 15 2HB LEU 15 7.193 -7.376 -7.376 118 2HB LEU 15 1HB LEU 15 7.059 -9.136 -9.136 119 HG LEU 15 HG LEU 15 9.559 -8.814 -8.814 120 1HD1 LEU 15 1HD1 LEU 15 8.761 -6.258 -6.258 121 2HD1 LEU 15 3HD1 LEU 15 8.175 -6.755 -6.755 122 3HD1 LEU 15 2HD1 LEU 15 9.891 -6.909 -6.909 123 1HD2 LEU 15 3HD2 LEU 15 6.899 -8.887 -8.887 124 2HD2 LEU 15 2HD2 LEU 15 8.098 -10.168 -10.168 125 3HD2 LEU 15 1HD2 LEU 15 8.356 -8.781 -8.781 126 H ASP 16 H ASP 16 7.532 -10.624 -10.624 127 HA ASP 16 HA ASP 16 6.490 -10.275 -10.275 128 1HB ASP 16 2HB ASP 16 8.268 -12.045 -12.045 129 2HB ASP 16 1HB ASP 16 7.071 -12.843 -12.843 130 H VAL 17 H VAL 17 4.434 -9.447 -9.447 131 HA VAL 17 HA VAL 17 2.870 -10.872 -10.872 132 HB VAL 17 HB VAL 17 2.308 -8.362 -8.362 133 1HG1 VAL 17 3HG1 VAL 17 0.460 -9.760 -9.760 134 2HG1 VAL 17 2HG1 VAL 17 1.159 -8.971 -8.971 135 3HG1 VAL 17 1HG1 VAL 17 0.484 -8.000 -8.000 136 1HG2 VAL 17 3HG2 VAL 17 4.392 -8.305 -8.305 137 2HG2 VAL 17 2HG2 VAL 17 3.163 -7.127 -7.127 138 3HG2 VAL 17 1HG2 VAL 17 3.361 -8.608 -8.608 139 H ALA 18 H ALA 18 2.142 -12.734 -12.734 140 HA ALA 18 HA ALA 18 1.112 -12.736 -12.736 141 1HB ALA 18 1HB ALA 18 1.306 -14.715 -14.715 142 2HB ALA 18 3HB ALA 18 0.474 -15.121 -15.121 143 3HB ALA 18 2HB ALA 18 2.189 -14.708 -14.708 144 H ASP 19 H ASP 19 -1.093 -14.334 -14.334 145 HA ASP 19 HA ASP 19 -3.208 -12.490 -12.490 146 1HB ASP 19 2HB ASP 19 -4.452 -14.020 -14.020 147 2HB ASP 19 1HB ASP 19 -2.828 -14.462 -14.462 148 H GLY 20 H GLY 20 -4.063 -12.200 -12.200 149 1HA GLY 20 2HA GLY 20 -5.322 -13.208 -13.208 150 2HA GLY 20 1HA GLY 20 -4.140 -14.514 -14.514 151 H VAL 21 H VAL 21 -2.204 -11.957 -11.957 152 HA VAL 21 HA VAL 21 -1.760 -11.615 -11.615 153 HB VAL 21 HB VAL 21 0.021 -11.021 -11.021 154 1HG1 VAL 21 3HG1 VAL 21 0.531 -11.000 -11.000 155 2HG1 VAL 21 2HG1 VAL 21 1.801 -10.901 -10.901 156 3HG1 VAL 21 1HG1 VAL 21 0.597 -9.618 -9.618 157 1HG2 VAL 21 2HG2 VAL 21 -0.393 -13.430 -13.430 158 2HG2 VAL 21 1HG2 VAL 21 0.103 -13.326 -13.326 159 3HG2 VAL 21 3HG2 VAL 21 1.275 -13.011 -13.011 160 H SER 22 H SER 22 -0.963 -9.480 -9.480 161 HA SER 22 HA SER 22 -2.270 -7.230 -7.230 162 1HB SER 22 2HB SER 22 -1.970 -6.580 -6.580 163 2HB SER 22 1HB SER 22 -3.468 -7.011 -7.011 164 HG SER 22 HG SER 22 -3.321 -9.001 -9.001 165 H LEU 23 H LEU 23 -1.008 -5.197 -5.197 166 HA LEU 23 HA LEU 23 1.751 -5.367 -5.367 167 1HB LEU 23 2HB LEU 23 0.223 -3.103 -3.103 168 2HB LEU 23 1HB LEU 23 1.766 -2.954 -2.954 169 HG LEU 23 HG LEU 23 -0.952 -3.411 -3.411 170 1HD1 LEU 23 3HD1 LEU 23 0.309 -1.169 -1.169 171 2HD1 LEU 23 2HD1 LEU 23 1.390 -1.830 -1.830 172 3HD1 LEU 23 1HD1 LEU 23 -0.325 -1.613 -1.613 173 1HD2 LEU 23 3HD2 LEU 23 1.695 -4.257 -4.257 174 2HD2 LEU 23 2HD2 LEU 23 0.297 -5.285 -5.285 175 3HD2 LEU 23 1HD2 LEU 23 0.213 -4.043 -4.043 176 H MET 24 H MET 24 -0.019 -5.215 -5.215 177 HA MET 24 HA MET 24 2.373 -4.792 -4.792 178 1HB MET 24 2HB MET 24 0.351 -4.012 -4.012 179 2HB MET 24 1HB MET 24 -0.482 -5.528 -5.528 180 1HG MET 24 2HG MET 24 0.941 -6.681 -6.681 181 2HG MET 24 1HG MET 24 1.792 -5.173 -5.173 182 1HE MET 24 1HE MET 24 0.912 -6.528 -6.528 183 2HE MET 24 3HE MET 24 -0.756 -6.404 -6.404 184 3HE MET 24 2HE MET 24 -0.368 -7.456 -7.456 185 H GLN 25 H GLN 25 0.173 -7.558 -7.558 186 HA GLN 25 HA GLN 25 1.358 -9.481 -9.481 187 1HB GLN 25 2HB GLN 25 -0.594 -9.718 -9.718 188 2HB GLN 25 1HB GLN 25 0.425 -9.608 -9.608 189 1HG GLN 25 2HG GLN 25 1.303 -11.748 -11.748 190 2HG GLN 25 1HG GLN 25 0.968 -11.748 -11.748 191 1HE2 GLN 25 2HE2 GLN 25 -2.622 -11.934 -11.934 192 2HE2 GLN 25 1HE2 GLN 25 -1.680 -10.522 -10.522 193 H ALA 26 H ALA 26 2.334 -9.327 -9.327 194 HA ALA 26 HA ALA 26 4.677 -10.868 -10.868 195 1HB ALA 26 1HB ALA 26 3.577 -8.632 -8.632 196 2HB ALA 26 3HB ALA 26 5.344 -8.735 -8.735 197 3HB ALA 26 2HB ALA 26 4.344 -10.126 -10.126 198 H ALA 27 H ALA 27 4.781 -7.318 -7.318 199 HA ALA 27 HA ALA 27 7.343 -6.926 -6.926 200 1HB ALA 27 1HB ALA 27 4.745 -5.580 -5.580 201 2HB ALA 27 3HB ALA 27 5.709 -5.008 -5.008 202 3HB ALA 27 2HB ALA 27 6.346 -4.915 -4.915 203 H VAL 28 H VAL 28 4.341 -7.397 -7.397 204 HA VAL 28 HA VAL 28 5.149 -7.177 -7.177 205 HB VAL 28 HB VAL 28 3.086 -8.391 -8.391 206 1HG1 VAL 28 3HG1 VAL 28 4.078 -10.010 -10.010 207 2HG1 VAL 28 2HG1 VAL 28 2.348 -9.941 -9.941 208 3HG1 VAL 28 1HG1 VAL 28 3.447 -10.562 -10.562 209 1HG2 VAL 28 1HG2 VAL 28 2.886 -6.441 -6.441 210 2HG2 VAL 28 3HG2 VAL 28 1.646 -7.677 -7.677 211 3HG2 VAL 28 2HG2 VAL 28 3.000 -7.570 -7.570 212 H SER 29 H SER 29 5.021 -10.279 -10.279 213 HA SER 29 HA SER 29 6.458 -11.925 -11.925 214 1HB SER 29 2HB SER 29 7.313 -12.351 -12.351 215 2HB SER 29 1HB SER 29 6.101 -13.261 -13.261 216 HG SER 29 HG SER 29 5.794 -11.445 -11.445 217 H ASN 30 H ASN 30 7.667 -9.842 -9.842 218 HA ASN 30 HA ASN 30 10.465 -10.306 -10.306 219 1HB ASN 30 2HB ASN 30 8.594 -8.601 -8.601 220 2HB ASN 30 1HB ASN 30 10.104 -7.783 -7.783 221 1HD2 ASN 30 2HD2 ASN 30 10.070 -10.934 -10.934 222 2HD2 ASN 30 1HD2 ASN 30 8.722 -10.649 -10.649 223 H GLY 31 H GLY 31 8.233 -8.854 -8.854 224 1HA GLY 31 2HA GLY 31 8.663 -7.733 -7.733 225 2HA GLY 31 1HA GLY 31 10.362 -7.597 -7.597 226 H ILE 32 H ILE 32 8.949 -6.577 -6.577 227 HA ILE 32 HA ILE 32 9.593 -3.898 -3.898 228 HB ILE 32 HB ILE 32 7.131 -5.219 -5.219 229 1HG1 ILE 32 2HG1 ILE 32 10.021 -5.426 -5.426 230 2HG1 ILE 32 1HG1 ILE 32 8.728 -6.585 -6.585 231 1HG2 ILE 32 3HG2 ILE 32 8.691 -2.791 -2.791 232 2HG2 ILE 32 2HG2 ILE 32 7.382 -3.560 -3.560 233 3HG2 ILE 32 1HG2 ILE 32 7.047 -2.791 -2.791 234 1HD1 ILE 32 3HD1 ILE 32 9.211 -4.098 -4.098 235 2HD1 ILE 32 2HD1 ILE 32 9.704 -5.725 -5.725 236 3HD1 ILE 32 1HD1 ILE 32 7.997 -5.335 -5.335 237 H TYR 33 H TYR 33 6.718 -5.438 -5.438 238 HA TYR 33 HA TYR 33 5.849 -2.751 -2.751 239 1HB TYR 33 2HB TYR 33 4.417 -5.327 -5.327 240 2HB TYR 33 1HB TYR 33 3.661 -4.041 -4.041 241 HD1 TYR 33 1HD TYR 33 3.523 -1.704 -1.704 242 HD2 TYR 33 2HD TYR 33 4.633 -5.168 -5.168 243 HE1 TYR 33 1HE TYR 33 3.047 -0.467 -0.467 244 HE2 TYR 33 2HE TYR 33 4.164 -3.972 -3.972 245 HH TYR 33 HH TYR 33 2.495 -1.785 -1.785 246 H ASP 34 H ASP 34 7.782 -3.496 -3.496 247 HA ASP 34 HA ASP 34 6.863 -5.252 -5.252 248 1HB ASP 34 2HB ASP 34 8.977 -4.491 -4.491 249 2HB ASP 34 1HB ASP 34 9.255 -4.937 -4.937 250 H ILE 35 H ILE 35 4.893 -3.365 -3.365 251 HA ILE 35 HA ILE 35 5.180 -1.007 -1.007 252 HB ILE 35 HB ILE 35 2.965 -0.524 -0.524 253 1HG1 ILE 35 2HG1 ILE 35 2.493 -2.917 -2.917 254 2HG1 ILE 35 1HG1 ILE 35 2.667 -3.334 -3.334 255 1HG2 ILE 35 1HG2 ILE 35 4.833 -1.862 -1.862 256 2HG2 ILE 35 3HG2 ILE 35 3.344 -1.080 -1.080 257 3HG2 ILE 35 2HG2 ILE 35 4.595 -0.138 -0.138 258 1HD1 ILE 35 3HD1 ILE 35 1.002 -0.949 -0.949 259 2HD1 ILE 35 2HD1 ILE 35 0.324 -2.528 -2.528 260 3HD1 ILE 35 1HD1 ILE 35 0.790 -2.160 -2.160 261 H VAL 36 H VAL 36 2.245 -1.348 -1.348 262 HA VAL 36 HA VAL 36 2.751 -2.752 -2.752 263 HB VAL 36 HB VAL 36 0.722 -1.583 -1.583 264 1HG1 VAL 36 1HG1 VAL 36 2.567 0.081 0.081 265 2HG1 VAL 36 3HG1 VAL 36 1.385 0.770 0.770 266 3HG1 VAL 36 2HG1 VAL 36 2.713 -0.210 -0.210 267 1HG2 VAL 36 1HG2 VAL 36 -0.515 -1.991 -1.991 268 2HG2 VAL 36 3HG2 VAL 36 -0.621 -0.315 -0.315 269 3HG2 VAL 36 2HG2 VAL 36 0.474 -0.751 -0.751 270 H GLY 37 H GLY 37 0.031 -3.452 -3.452 271 1HA GLY 37 2HA GLY 37 -0.377 -5.675 -5.675 272 2HA GLY 37 1HA GLY 37 -0.623 -5.877 -5.877 273 H ASP 38 H ASP 38 -1.856 -4.150 -4.150 274 HA ASP 38 HA ASP 38 -4.495 -3.900 -3.900 275 1HB ASP 38 2HB ASP 38 -3.357 -2.179 -2.179 276 2HB ASP 38 1HB ASP 38 -4.789 -1.847 -1.847 277 H CYS 39 H CYS 39 -3.358 -3.646 -3.646 278 HA CYS 39 HA CYS 39 -5.637 -4.922 -4.922 279 1HB CYS 39 2HB CYS 39 -4.149 -4.678 -4.678 280 2HB CYS 39 1HB CYS 39 -4.247 -3.240 -3.240 281 H GLY 40 H GLY 40 -2.430 -6.076 -6.076 282 1HA GLY 40 2HA GLY 40 -1.472 -8.229 -8.229 283 2HA GLY 40 1HA GLY 40 -3.067 -8.743 -8.743 284 H GLY 41 H GLY 41 -2.480 -7.122 -7.122 285 1HA GLY 41 2HA GLY 41 -2.519 -7.981 -7.981 286 2HA GLY 41 1HA GLY 41 -2.545 -9.612 -9.612 287 H SER 42 H SER 42 -4.823 -7.064 -7.064 288 HA SER 42 HA SER 42 -6.954 -8.438 -8.438 289 1HB SER 42 2HB SER 42 -6.911 -9.401 -9.401 290 2HB SER 42 1HB SER 42 -6.972 -7.788 -7.788 291 HG SER 42 HG SER 42 -8.957 -9.291 -9.291 292 H ALA 43 H ALA 43 -5.408 -5.644 -5.644 293 HA ALA 43 HA ALA 43 -5.964 -3.408 -3.408 294 1HB ALA 43 2HB ALA 43 -7.563 -5.025 -5.025 295 2HB ALA 43 1HB ALA 43 -8.750 -4.045 -4.045 296 3HB ALA 43 3HB ALA 43 -7.515 -3.267 -3.267 297 H SER 44 H SER 44 -6.001 -3.876 -3.876 298 HA SER 44 HA SER 44 -8.346 -2.441 -2.441 299 1HB SER 44 2HB SER 44 -7.552 -5.118 -5.118 300 2HB SER 44 1HB SER 44 -7.026 -4.223 -4.223 301 HG SER 44 HG SER 44 -9.187 -4.951 -4.951 302 H CYS 45 H CYS 45 -5.663 -1.579 -1.579 303 HA CYS 45 HA CYS 45 -4.320 -0.924 -0.924 304 1HB CYS 45 2HB CYS 45 -2.357 -0.445 -0.445 305 2HB CYS 45 1HB CYS 45 -2.839 -2.104 -2.104 306 H ALA 46 H ALA 46 -3.405 1.085 1.085 307 HA ALA 46 HA ALA 46 -4.639 3.363 3.363 308 1HB ALA 46 1HB ALA 46 -3.697 2.991 2.991 309 2HB ALA 46 3HB ALA 46 -4.209 4.547 4.547 310 3HB ALA 46 2HB ALA 46 -5.359 3.213 3.213 311 H THR 47 H THR 47 -1.765 1.666 1.666 312 HA THR 47 HA THR 47 -0.058 4.096 4.096 313 HB THR 47 HB THR 47 1.729 2.389 2.389 314 HG1 THR 47 1HG THR 47 -0.051 0.699 0.699 315 1HG2 THR 47 2HG2 THR 47 -0.573 3.025 3.025 316 2HG2 THR 47 1HG2 THR 47 1.041 2.528 2.528 317 3HG2 THR 47 3HG2 THR 47 0.816 4.063 4.063 318 H CYS 48 H CYS 48 -1.029 1.110 1.110 319 HA CYS 48 HA CYS 48 1.250 1.094 1.094 320 1HB CYS 48 2HB CYS 48 -1.484 -0.153 -0.153 321 2HB CYS 48 1HB CYS 48 -0.026 -0.547 -0.547 322 H HIS 49 H HIS 49 -0.997 3.448 3.448 323 HA HIS 49 HA HIS 49 -2.237 3.947 3.947 324 1HB HIS 49 2HB HIS 49 -2.236 5.423 5.423 325 2HB HIS 49 1HB HIS 49 -0.549 5.832 5.832 326 HD1 HIS 49 1HD HIS 49 -3.041 7.859 7.859 327 HD2 HIS 49 2HD HIS 49 -1.123 6.228 6.228 328 HE1 HIS 49 1HE HIS 49 -3.464 9.446 9.446 329 H VAL 50 H VAL 50 -1.396 3.813 3.813 330 HA VAL 50 HA VAL 50 1.370 4.819 4.819 331 HB VAL 50 HB VAL 50 1.717 2.733 2.733 332 1HG1 VAL 50 3HG1 VAL 50 1.531 2.858 2.858 333 2HG1 VAL 50 2HG1 VAL 50 1.729 1.257 1.257 334 3HG1 VAL 50 1HG1 VAL 50 2.919 2.518 2.518 335 1HG2 VAL 50 3HG2 VAL 50 -0.814 2.292 2.292 336 2HG2 VAL 50 2HG2 VAL 50 0.233 0.895 0.895 337 3HG2 VAL 50 1HG2 VAL 50 -0.601 1.638 1.638 338 H TYR 51 H TYR 51 1.783 5.084 5.084 339 HA TYR 51 HA TYR 51 -0.718 5.755 5.755 340 1HB TYR 51 2HB TYR 51 2.039 6.951 6.951 341 2HB TYR 51 1HB TYR 51 0.965 7.398 7.398 342 HD1 TYR 51 1HD TYR 51 -1.288 6.653 6.653 343 HD2 TYR 51 2HD TYR 51 1.721 9.615 9.615 344 HE1 TYR 51 1HE TYR 51 -2.494 8.287 8.287 345 HE2 TYR 51 2HE TYR 51 0.482 11.254 11.254 346 HH TYR 51 HH TYR 51 -1.334 11.636 11.636 347 H VAL 52 H VAL 52 -1.062 4.400 4.400 348 HA VAL 52 HA VAL 52 1.105 2.715 2.715 349 HB VAL 52 HB VAL 52 -1.806 3.002 3.002 350 1HG1 VAL 52 2HG1 VAL 52 0.358 1.488 1.488 351 2HG1 VAL 52 1HG1 VAL 52 -0.714 0.355 0.355 352 3HG1 VAL 52 3HG1 VAL 52 -1.345 1.404 1.404 353 1HG2 VAL 52 3HG2 VAL 52 -0.620 1.992 1.992 354 2HG2 VAL 52 2HG2 VAL 52 -2.324 2.020 2.020 355 3HG2 VAL 52 1HG2 VAL 52 -1.314 0.644 0.644 356 H ASN 53 H ASN 53 2.055 3.115 3.115 357 HA ASN 53 HA ASN 53 1.870 5.781 5.781 358 1HB ASN 53 2HB ASN 53 2.863 4.761 4.761 359 2HB ASN 53 1HB ASN 53 3.759 4.444 4.444 360 1HD2 ASN 53 2HD2 ASN 53 1.750 1.063 1.063 361 2HD2 ASN 53 1HD2 ASN 53 1.074 2.433 2.433 362 H GLU 54 H GLU 54 0.400 6.760 6.760 363 HA GLU 54 HA GLU 54 -2.200 6.131 6.131 364 1HB GLU 54 2HB GLU 54 -2.135 7.654 7.654 365 2HB GLU 54 1HB GLU 54 -1.027 8.211 8.211 366 1HG GLU 54 2HG GLU 54 0.877 7.485 7.485 367 2HG GLU 54 1HG GLU 54 -0.069 6.415 6.415 368 H ALA 55 H ALA 55 0.389 4.571 4.571 369 HA ALA 55 HA ALA 55 -1.291 3.624 3.624 370 1HB ALA 55 2HB ALA 55 1.445 3.266 3.266 371 2HB ALA 55 1HB ALA 55 0.823 1.886 1.886 372 3HB ALA 55 3HB ALA 55 0.901 3.478 3.478 373 H PHE 56 H PHE 56 -0.232 2.061 2.061 374 HA PHE 56 HA PHE 56 -1.882 -0.310 -0.310 375 1HB PHE 56 2HB PHE 56 0.037 0.376 0.376 376 2HB PHE 56 1HB PHE 56 -0.731 -1.208 -1.208 377 HD1 PHE 56 1HD PHE 56 1.403 1.297 1.297 378 HD2 PHE 56 2HD PHE 56 0.211 -2.852 -2.852 379 HE1 PHE 56 1HE PHE 56 3.059 0.744 0.744 380 HE2 PHE 56 2HE PHE 56 1.853 -3.352 -3.352 381 HZ PHE 56 HZ PHE 56 3.288 -1.582 -1.582 382 H THR 57 H THR 57 -2.353 2.660 2.660 383 HA THR 57 HA THR 57 -4.128 1.792 1.792 384 HB THR 57 HB THR 57 -4.303 4.106 4.106 385 HG1 THR 57 1HG THR 57 -5.050 4.940 4.940 386 1HG2 THR 57 1HG2 THR 57 -1.757 3.063 3.063 387 2HG2 THR 57 3HG2 THR 57 -1.827 4.718 4.718 388 3HG2 THR 57 2HG2 THR 57 -2.113 4.383 4.383 389 H ASP 58 H ASP 58 -4.390 2.596 2.596 390 HA ASP 58 HA ASP 58 -7.326 2.965 2.965 391 1HB ASP 58 2HB ASP 58 -6.380 2.601 2.601 392 2HB ASP 58 1HB ASP 58 -6.915 4.090 4.090 393 H LYS 59 H LYS 59 -5.016 0.448 0.448 394 HA LYS 59 HA LYS 59 -7.005 -1.313 -1.313 395 1HB LYS 59 2HB LYS 59 -4.194 -1.703 -1.703 396 2HB LYS 59 1HB LYS 59 -5.070 -2.896 -2.896 397 1HG LYS 59 2HG LYS 59 -4.166 -0.137 -0.137 398 2HG LYS 59 1HG LYS 59 -3.684 -1.690 -1.690 399 1HD LYS 59 2HD LYS 59 -6.320 -1.920 -1.920 400 2HD LYS 59 1HD LYS 59 -6.220 -0.158 -0.158 401 1HE LYS 59 2HE LYS 59 -4.055 -1.078 -1.078 402 2HE LYS 59 1HE LYS 59 -5.493 -1.979 -1.979 403 1HZ LYS 59 2HZ LYS 59 -5.433 0.957 0.957 404 2HZ LYS 59 1HZ LYS 59 -5.287 0.228 0.228 405 3HZ LYS 59 3HZ LYS 59 -6.720 0.050 0.050 406 H VAL 60 H VAL 60 -5.181 -1.293 -1.293 407 HA VAL 60 HA VAL 60 -6.065 -3.484 -3.484 408 HB VAL 60 HB VAL 60 -6.092 -1.860 -1.860 409 1HG1 VAL 60 2HG1 VAL 60 -3.810 -2.099 -2.099 410 2HG1 VAL 60 1HG1 VAL 60 -3.627 -1.233 -1.233 411 3HG1 VAL 60 3HG1 VAL 60 -4.046 -2.946 -2.946 412 1HG2 VAL 60 3HG2 VAL 60 -5.451 0.074 0.074 413 2HG2 VAL 60 2HG2 VAL 60 -6.863 0.123 0.123 414 3HG2 VAL 60 1HG2 VAL 60 -5.259 0.422 0.422 415 HA PRO 61 HA PRO 61 -10.427 -3.309 -3.309 416 1HB PRO 61 2HB PRO 61 -10.642 -4.132 -4.132 417 2HB PRO 61 1HB PRO 61 -10.263 -5.229 -5.229 418 1HG PRO 61 2HG PRO 61 -8.424 -3.948 -3.948 419 2HG PRO 61 1HG PRO 61 -8.420 -5.606 -5.606 420 1HD PRO 61 2HD PRO 61 -6.711 -3.728 -3.728 421 2HD PRO 61 1HD PRO 61 -7.371 -5.006 -5.006 422 H ALA 62 H ALA 62 -12.082 -2.325 -2.325 423 HA ALA 62 HA ALA 62 -11.413 0.421 0.421 424 1HB ALA 62 1HB ALA 62 -13.519 -1.067 -1.067 425 2HB ALA 62 3HB ALA 62 -14.097 -0.581 -0.581 426 3HB ALA 62 2HB ALA 62 -13.585 0.646 0.646 427 H ALA 63 H ALA 63 -10.621 0.858 0.858 428 HA ALA 63 HA ALA 63 -10.919 -0.888 -0.888 429 1HB ALA 63 1HB ALA 63 -10.144 2.041 2.041 430 2HB ALA 63 3HB ALA 63 -9.855 1.041 1.041 431 3HB ALA 63 2HB ALA 63 -9.031 0.674 0.674 432 H ASN 64 H ASN 64 -12.348 -0.637 -0.637 433 HA ASN 64 HA ASN 64 -14.771 0.999 0.999 434 1HB ASN 64 2HB ASN 64 -15.693 -0.453 -0.453 435 2HB ASN 64 1HB ASN 64 -15.160 -1.330 -1.330 436 1HD2 ASN 64 2HD2 ASN 64 -13.581 -3.231 -3.231 437 2HD2 ASN 64 1HD2 ASN 64 -15.090 -3.069 -3.069 438 H GLU 65 H GLU 65 -15.863 1.843 1.843 439 HA GLU 65 HA GLU 65 -14.573 3.994 3.994 440 1HB GLU 65 2HB GLU 65 -16.412 4.017 4.017 441 2HB GLU 65 1HB GLU 65 -16.998 3.030 3.030 442 1HG GLU 65 2HG GLU 65 -17.576 1.697 1.697 443 2HG GLU 65 1HG GLU 65 -15.990 1.045 1.045 444 H ARG 66 H ARG 66 -14.233 0.610 0.610 445 HA ARG 66 HA ARG 66 -13.004 1.050 1.050 446 1HB ARG 66 2HB ARG 66 -13.648 -1.090 -1.090 447 2HB ARG 66 1HB ARG 66 -11.959 -1.274 -1.274 448 1HG ARG 66 2HG ARG 66 -12.670 -0.982 -0.982 449 2HG ARG 66 1HG ARG 66 -14.347 -1.018 -1.018 450 1HD ARG 66 2HD ARG 66 -12.352 -3.236 -3.236 451 2HD ARG 66 1HD ARG 66 -13.514 -3.268 -3.268 452 HE ARG 66 HE ARG 66 -14.628 -2.711 -2.711 453 1HH1 ARG 66 1HH1 ARG 66 -13.379 -5.474 -5.474 454 2HH1 ARG 66 2HH1 ARG 66 -14.866 -6.358 -6.358 455 1HH2 ARG 66 1HH2 ARG 66 -16.843 -3.607 -3.607 456 2HH2 ARG 66 2HH2 ARG 66 -16.828 -5.301 -5.301 457 H GLU 67 H GLU 67 -11.832 1.396 1.396 458 HA GLU 67 HA GLU 67 -9.002 1.410 1.410 459 1HB GLU 67 2HB GLU 67 -9.376 0.249 0.249 460 2HB GLU 67 1HB GLU 67 -10.557 1.431 1.431 461 1HG GLU 67 2HG GLU 67 -7.789 2.391 2.391 462 2HG GLU 67 1HG GLU 67 -8.056 1.402 1.402 463 H ILE 68 H ILE 68 -11.525 3.553 3.553 464 HA ILE 68 HA ILE 68 -10.048 5.895 5.895 465 HB ILE 68 HB ILE 68 -12.822 5.234 5.234 466 1HG1 ILE 68 2HG1 ILE 68 -13.425 5.903 5.903 467 2HG1 ILE 68 1HG1 ILE 68 -11.892 6.739 6.739 468 1HG2 ILE 68 2HG2 ILE 68 -12.155 7.409 7.409 469 2HG2 ILE 68 1HG2 ILE 68 -11.833 8.049 8.049 470 3HG2 ILE 68 3HG2 ILE 68 -13.470 7.569 7.569 471 1HD1 ILE 68 2HD1 ILE 68 -10.706 4.550 4.550 472 2HD1 ILE 68 1HD1 ILE 68 -12.263 3.742 3.742 473 3HD1 ILE 68 3HD1 ILE 68 -11.871 4.595 4.595 474 H GLY 69 H GLY 69 -11.779 5.225 5.225 475 1HA GLY 69 2HA GLY 69 -10.319 7.336 7.336 476 2HA GLY 69 1HA GLY 69 -11.382 6.164 6.164 477 H MET 70 H MET 70 -10.188 3.783 3.783 478 HA MET 70 HA MET 70 -8.158 3.325 3.325 479 1HB MET 70 2HB MET 70 -9.523 2.003 2.003 480 2HB MET 70 1HB MET 70 -7.895 1.973 1.973 481 1HG MET 70 2HG MET 70 -7.108 0.737 0.737 482 2HG MET 70 1HG MET 70 -8.519 1.140 1.140 483 1HE MET 70 1HE MET 70 -8.086 0.327 0.327 484 2HE MET 70 3HE MET 70 -7.046 -0.915 -0.915 485 3HE MET 70 2HE MET 70 -8.496 -1.388 -1.388 486 H LEU 71 H LEU 71 -7.936 3.948 3.948 487 HA LEU 71 HA LEU 71 -5.072 4.157 4.157 488 1HB LEU 71 2HB LEU 71 -6.822 3.392 3.392 489 2HB LEU 71 1HB LEU 71 -7.414 5.056 5.056 490 HG LEU 71 HG LEU 71 -5.088 3.853 3.853 491 1HD1 LEU 71 1HD1 LEU 71 -7.353 5.400 5.400 492 2HD1 LEU 71 3HD1 LEU 71 -5.989 6.488 6.488 493 3HD1 LEU 71 2HD1 LEU 71 -6.067 4.959 4.959 494 1HD2 LEU 71 3HD2 LEU 71 -3.935 5.294 5.294 495 2HD2 LEU 71 2HD2 LEU 71 -3.717 5.872 5.872 496 3HD2 LEU 71 1HD2 LEU 71 -4.872 6.667 6.667 497 H GLU 72 H GLU 72 -7.743 6.454 6.454 498 HA GLU 72 HA GLU 72 -5.964 8.789 8.789 499 1HB GLU 72 2HB GLU 72 -8.195 9.054 9.054 500 2HB GLU 72 1HB GLU 72 -8.877 8.327 8.327 501 1HG GLU 72 2HG GLU 72 -8.665 10.252 10.252 502 2HG GLU 72 1HG GLU 72 -7.182 10.745 10.745 503 H CYS 73 H CYS 73 -6.134 6.547 6.547 504 HA CYS 73 HA CYS 73 -6.696 7.810 7.810 505 1HB CYS 73 2HB CYS 73 -4.586 5.844 5.844 506 2HB CYS 73 1HB CYS 73 -4.706 6.324 6.324 507 HG CYS 73 HG CYS 73 -7.394 5.555 5.555 508 H VAL 74 H VAL 74 -3.631 7.865 7.865 509 HA VAL 74 HA VAL 74 -2.614 10.076 10.076 510 HB VAL 74 HB VAL 74 -0.545 9.663 9.663 511 1HG1 VAL 74 3HG1 VAL 74 -1.856 7.786 7.786 512 2HG1 VAL 74 2HG1 VAL 74 -1.328 6.851 6.851 513 3HG1 VAL 74 1HG1 VAL 74 -0.150 7.749 7.749 514 1HG2 VAL 74 2HG2 VAL 74 -2.347 8.020 8.020 515 2HG2 VAL 74 1HG2 VAL 74 -1.337 9.391 9.391 516 3HG2 VAL 74 3HG2 VAL 74 -0.592 7.856 7.856 517 H THR 75 H THR 75 -3.293 12.096 12.096 518 HA THR 75 HA THR 75 -4.697 12.927 12.927 519 HB THR 75 HB THR 75 -4.205 14.177 14.177 520 HG1 THR 75 1HG THR 75 -4.142 16.176 16.176 521 1HG2 THR 75 3HG2 THR 75 -1.530 13.738 13.738 522 2HG2 THR 75 2HG2 THR 75 -1.799 15.479 15.479 523 3HG2 THR 75 1HG2 THR 75 -2.077 14.608 14.608 524 H ALA 76 H ALA 76 -3.679 11.803 11.803 525 HA ALA 76 HA ALA 76 -1.168 13.158 13.158 526 1HB ALA 76 2HB ALA 76 -1.732 10.472 10.472 527 2HB ALA 76 1HB ALA 76 -1.951 10.652 10.652 528 3HB ALA 76 3HB ALA 76 -0.414 11.089 11.089 529 H GLU 77 H GLU 77 -3.878 14.210 14.210 530 HA GLU 77 HA GLU 77 -5.419 14.811 14.811 531 1HB GLU 77 2HB GLU 77 -4.290 16.192 16.192 532 2HB GLU 77 1HB GLU 77 -3.117 16.043 16.043 533 1HG GLU 77 2HG GLU 77 -2.654 13.860 13.860 534 2HG GLU 77 1HG GLU 77 -2.839 15.290 15.290 535 H LEU 78 H LEU 78 -5.544 12.186 12.186 536 HA LEU 78 HA LEU 78 -5.029 10.208 10.208 537 1HB LEU 78 2HB LEU 78 -7.250 11.093 11.093 538 2HB LEU 78 1HB LEU 78 -7.865 10.889 10.889 539 HG LEU 78 HG LEU 78 -6.473 8.615 8.615 540 1HD1 LEU 78 2HD1 LEU 78 -6.621 9.627 9.627 541 2HD1 LEU 78 1HD1 LEU 78 -7.303 8.009 8.009 542 3HD1 LEU 78 3HD1 LEU 78 -5.640 8.319 8.319 543 1HD2 LEU 78 1HD2 LEU 78 -9.216 9.134 9.134 544 2HD2 LEU 78 3HD2 LEU 78 -8.844 8.709 8.709 545 3HD2 LEU 78 2HD2 LEU 78 -8.597 7.527 7.527 546 H LYS 79 H LYS 79 -4.425 10.048 10.048 547 HA LYS 79 HA LYS 79 -5.280 12.032 12.032 548 1HB LYS 79 2HB LYS 79 -3.796 9.499 9.499 549 2HB LYS 79 1HB LYS 79 -3.536 11.128 11.128 550 1HG LYS 79 2HG LYS 79 -3.012 11.309 11.309 551 2HG LYS 79 1HG LYS 79 -2.248 9.808 9.808 552 1HD LYS 79 2HD LYS 79 -0.553 11.139 11.139 553 2HD LYS 79 1HD LYS 79 -1.607 11.515 11.515 554 1HE LYS 79 2HE LYS 79 -2.638 13.301 13.301 555 2HE LYS 79 1HE LYS 79 -1.112 13.120 13.120 556 1HZ LYS 79 3HZ LYS 79 -1.186 13.471 13.471 557 2HZ LYS 79 2HZ LYS 79 -1.120 14.801 14.801 558 3HZ LYS 79 1HZ LYS 79 0.138 13.659 13.659 559 HA PRO 80 HA PRO 80 -8.274 9.428 9.428 560 1HB PRO 80 2HB PRO 80 -7.486 9.054 9.054 561 2HB PRO 80 1HB PRO 80 -8.078 10.611 10.611 562 1HG PRO 80 2HG PRO 80 -5.337 9.755 9.755 563 2HG PRO 80 1HG PRO 80 -6.049 11.373 11.373 564 1HD PRO 80 2HD PRO 80 -4.376 10.284 10.284 565 2HD PRO 80 1HD PRO 80 -5.314 11.787 11.787 566 H ASN 81 H ASN 81 -4.992 8.303 8.303 567 HA ASN 81 HA ASN 81 -5.938 5.489 5.489 568 1HB ASN 81 2HB ASN 81 -3.490 5.194 5.194 569 2HB ASN 81 1HB ASN 81 -4.446 6.214 6.214 570 1HD2 ASN 81 2HD2 ASN 81 -1.418 8.197 8.197 571 2HD2 ASN 81 1HD2 ASN 81 -1.893 6.837 6.837 572 H SER 82 H SER 82 -4.802 7.586 7.586 573 HA SER 82 HA SER 82 -2.921 6.132 6.132 574 1HB SER 82 2HB SER 82 -5.415 7.517 7.517 575 2HB SER 82 1HB SER 82 -3.923 7.260 7.260 576 HG SER 82 HG SER 82 -3.398 8.425 8.425 577 H ARG 83 H ARG 83 -3.117 4.519 4.519 578 HA ARG 83 HA ARG 83 -5.591 3.212 3.212 579 1HB ARG 83 2HB ARG 83 -4.275 2.573 2.573 580 2HB ARG 83 1HB ARG 83 -4.368 1.152 1.152 581 1HG ARG 83 2HG ARG 83 -6.604 0.956 0.956 582 2HG ARG 83 1HG ARG 83 -6.860 2.618 2.618 583 1HD ARG 83 2HD ARG 83 -7.599 2.462 2.462 584 2HD ARG 83 1HD ARG 83 -6.054 3.335 3.335 585 HE ARG 83 HE ARG 83 -5.295 0.696 0.696 586 1HH1 ARG 83 1HH1 ARG 83 -7.238 -0.530 -0.530 587 2HH1 ARG 83 2HH1 ARG 83 -7.164 0.046 0.046 588 1HH2 ARG 83 1HH2 ARG 83 -5.286 2.850 2.850 589 2HH2 ARG 83 2HH2 ARG 83 -6.058 1.961 1.961 590 H LEU 84 H LEU 84 -5.188 1.489 1.489 591 HA LEU 84 HA LEU 84 -2.685 1.739 1.739 592 1HB LEU 84 2HB LEU 84 -5.239 0.181 0.181 593 2HB LEU 84 1HB LEU 84 -3.879 -0.390 -0.390 594 HG LEU 84 HG LEU 84 -4.814 2.467 2.467 595 1HD1 LEU 84 3HD1 LEU 84 -6.621 0.894 0.894 596 2HD1 LEU 84 2HD1 LEU 84 -5.604 0.122 0.122 597 3HD1 LEU 84 1HD1 LEU 84 -6.142 1.809 1.809 598 1HD2 LEU 84 1HD2 LEU 84 -2.516 1.379 1.379 599 2HD2 LEU 84 3HD2 LEU 84 -3.343 2.687 2.687 600 3HD2 LEU 84 2HD2 LEU 84 -3.569 1.019 1.019 601 H SER 85 H SER 85 -0.879 0.299 0.299 602 HA SER 85 HA SER 85 -0.285 -1.148 -1.148 603 1HB SER 85 2HB SER 85 1.304 -2.318 -2.318 604 2HB SER 85 1HB SER 85 1.078 -0.806 -0.806 605 HG SER 85 HG SER 85 -0.648 -2.210 -2.210 606 H CYS 86 H CYS 86 -2.705 -2.207 -2.207 607 HA CYS 86 HA CYS 86 -2.724 -4.937 -4.937 608 1HB CYS 86 2HB CYS 86 -4.023 -3.965 -3.965 609 2HB CYS 86 1HB CYS 86 -3.613 -5.626 -5.626 610 H GLN 87 H GLN 87 -4.189 -2.949 -2.949 611 HA GLN 87 HA GLN 87 -6.919 -4.043 -4.043 612 1HB GLN 87 2HB GLN 87 -7.443 -1.626 -1.626 613 2HB GLN 87 1HB GLN 87 -7.492 -1.929 -1.929 614 1HG GLN 87 2HG GLN 87 -6.111 0.019 0.019 615 2HG GLN 87 1HG GLN 87 -5.080 -1.311 -1.311 616 1HE2 GLN 87 2HE2 GLN 87 -3.126 -1.025 -1.025 617 2HE2 GLN 87 1HE2 GLN 87 -3.204 -1.387 -1.387 618 H ILE 88 H ILE 88 -4.577 -2.945 -2.945 619 HA ILE 88 HA ILE 88 -6.403 -3.704 -3.704 620 HB ILE 88 HB ILE 88 -3.480 -3.316 -3.316 621 1HG1 ILE 88 2HG1 ILE 88 -5.414 -1.072 -1.072 622 2HG1 ILE 88 1HG1 ILE 88 -4.061 -1.553 -1.553 623 1HG2 ILE 88 1HG2 ILE 88 -6.068 -2.845 -2.845 624 2HG2 ILE 88 3HG2 ILE 88 -4.666 -1.884 -1.884 625 3HG2 ILE 88 2HG2 ILE 88 -4.606 -3.642 -3.642 626 1HD1 ILE 88 1HD1 ILE 88 -2.541 -1.092 -1.092 627 2HD1 ILE 88 3HD1 ILE 88 -3.937 -0.337 -0.337 628 3HD1 ILE 88 2HD1 ILE 88 -3.290 0.331 0.331 629 H ILE 89 H ILE 89 -6.077 -5.499 -5.499 630 HA ILE 89 HA ILE 89 -4.249 -7.605 -7.605 631 HB ILE 89 HB ILE 89 -6.945 -7.628 -7.628 632 1HG1 ILE 89 2HG1 ILE 89 -7.116 -7.506 -7.506 633 2HG1 ILE 89 1HG1 ILE 89 -7.380 -9.205 -9.205 634 1HG2 ILE 89 3HG2 ILE 89 -5.407 -9.266 -9.266 635 2HG2 ILE 89 2HG2 ILE 89 -5.154 -10.024 -10.024 636 3HG2 ILE 89 1HG2 ILE 89 -6.757 -10.034 -10.034 637 1HD1 ILE 89 2HD1 ILE 89 -4.852 -9.517 -9.517 638 2HD1 ILE 89 1HD1 ILE 89 -4.882 -7.918 -7.918 639 3HD1 ILE 89 3HD1 ILE 89 -5.836 -9.231 -9.231 640 H MET 90 H MET 90 -3.110 -8.846 -8.846 641 HA MET 90 HA MET 90 -2.733 -7.161 -7.161 642 1HB MET 90 2HB MET 90 -0.751 -7.360 -7.360 643 2HB MET 90 1HB MET 90 -1.005 -9.086 -9.086 644 1HG MET 90 2HG MET 90 0.746 -8.438 -8.438 645 2HG MET 90 1HG MET 90 -0.470 -9.614 -9.614 646 1HE MET 90 1HE MET 90 0.128 -6.014 -6.014 647 2HE MET 90 3HE MET 90 1.080 -6.048 -6.048 648 3HE MET 90 2HE MET 90 -0.429 -5.129 -5.129 649 H THR 91 H THR 91 -3.337 -7.948 -7.948 650 HA THR 91 HA THR 91 -4.188 -10.791 -10.791 651 HB THR 91 HB THR 91 -4.903 -9.636 -9.636 652 HG1 THR 91 1HG THR 91 -4.972 -7.516 -7.516 653 1HG2 THR 91 2HG2 THR 91 -6.199 -9.360 -9.360 654 2HG2 THR 91 1HG2 THR 91 -7.007 -8.859 -8.859 655 3HG2 THR 91 3HG2 THR 91 -6.550 -10.547 -10.547 656 HA PRO 92 HA PRO 92 -0.754 -11.892 -11.892 657 1HB PRO 92 2HB PRO 92 -1.875 -13.309 -13.309 658 2HB PRO 92 1HB PRO 92 -1.741 -13.935 -13.935 659 1HG PRO 92 2HG PRO 92 -4.091 -12.752 -12.752 660 2HG PRO 92 1HG PRO 92 -4.012 -14.106 -14.106 661 1HD PRO 92 2HD PRO 92 -4.833 -11.602 -11.602 662 2HD PRO 92 1HD PRO 92 -4.078 -12.743 -12.743 663 H GLU 93 H GLU 93 -2.958 -9.633 -9.633 664 HA GLU 93 HA GLU 93 -1.454 -9.222 -9.222 665 1HB GLU 93 2HB GLU 93 -3.459 -8.014 -8.014 666 2HB GLU 93 1HB GLU 93 -3.912 -9.604 -9.604 667 1HG GLU 93 2HG GLU 93 -5.470 -8.253 -8.253 668 2HG GLU 93 1HG GLU 93 -4.194 -8.323 -8.323 669 H LEU 94 H LEU 94 -2.702 -7.518 -7.518 670 HA LEU 94 HA LEU 94 -1.578 -4.943 -4.943 671 1HB LEU 94 2HB LEU 94 -3.173 -6.224 -6.224 672 2HB LEU 94 1HB LEU 94 -1.928 -5.241 -5.241 673 HG LEU 94 HG LEU 94 -3.936 -4.352 -4.352 674 1HD1 LEU 94 3HD1 LEU 94 -3.924 -4.386 -4.386 675 2HD1 LEU 94 2HD1 LEU 94 -3.725 -2.708 -2.708 676 3HD1 LEU 94 1HD1 LEU 94 -5.114 -3.636 -3.636 677 1HD2 LEU 94 2HD2 LEU 94 -1.280 -3.449 -3.449 678 2HD2 LEU 94 1HD2 LEU 94 -2.564 -2.644 -2.644 679 3HD2 LEU 94 3HD2 LEU 94 -2.300 -2.244 -2.244 680 H ASP 95 H ASP 95 0.650 -6.456 -6.456 681 HA ASP 95 HA ASP 95 2.124 -6.488 -6.488 682 1HB ASP 95 2HB ASP 95 2.834 -8.442 -8.442 683 2HB ASP 95 1HB ASP 95 1.971 -8.109 -8.109 684 H GLY 96 H GLY 96 4.059 -5.394 -5.394 685 1HA GLY 96 2HA GLY 96 5.921 -3.996 -3.996 686 2HA GLY 96 1HA GLY 96 4.838 -3.425 -3.425 687 H ILE 97 H ILE 97 3.458 -3.835 -3.835 688 HA ILE 97 HA ILE 97 2.723 -1.051 -1.051 689 HB ILE 97 HB ILE 97 1.022 -2.136 -2.136 690 1HG1 ILE 97 2HG1 ILE 97 1.302 -2.511 -2.511 691 2HG1 ILE 97 1HG1 ILE 97 3.010 -2.125 -2.125 692 1HG2 ILE 97 2HG2 ILE 97 3.033 -4.289 -4.289 693 2HG2 ILE 97 1HG2 ILE 97 1.367 -4.342 -4.342 694 3HG2 ILE 97 3HG2 ILE 97 1.702 -4.349 -4.349 695 1HD1 ILE 97 2HD1 ILE 97 1.237 -0.161 -0.161 696 2HD1 ILE 97 1HD1 ILE 97 1.012 -0.289 -0.289 697 3HD1 ILE 97 3HD1 ILE 97 2.599 0.088 0.088 698 H VAL 98 H VAL 98 3.476 0.593 0.593 699 HA VAL 98 HA VAL 98 5.947 0.176 0.176 700 HB VAL 98 HB VAL 98 4.824 2.569 2.569 701 1HG1 VAL 98 2HG1 VAL 98 6.561 2.636 2.636 702 2HG1 VAL 98 1HG1 VAL 98 7.692 2.415 2.415 703 3HG1 VAL 98 3HG1 VAL 98 6.599 3.799 3.799 704 1HG2 VAL 98 1HG2 VAL 98 7.035 0.610 0.610 705 2HG2 VAL 98 3HG2 VAL 98 5.515 0.840 0.840 706 3HG2 VAL 98 2HG2 VAL 98 6.735 2.113 2.113 707 H VAL 99 H VAL 99 5.562 0.485 0.485 708 HA VAL 99 HA VAL 99 3.129 2.055 2.055 709 HB VAL 99 HB VAL 99 4.850 0.624 0.624 710 1HG1 VAL 99 3HG1 VAL 99 2.007 1.426 1.426 711 2HG1 VAL 99 2HG1 VAL 99 2.322 -0.045 -0.045 712 3HG1 VAL 99 1HG1 VAL 99 3.037 1.488 1.488 713 1HG2 VAL 99 2HG2 VAL 99 3.565 -0.599 -0.599 714 2HG2 VAL 99 1HG2 VAL 99 4.785 -1.236 -1.236 715 3HG2 VAL 99 3HG2 VAL 99 3.082 -1.296 -1.296 716 H ASP 100 H ASP 100 3.408 3.294 3.294 717 HA ASP 100 HA ASP 100 6.084 4.144 4.144 718 1HB ASP 100 2HB ASP 100 4.265 5.873 5.873 719 2HB ASP 100 1HB ASP 100 5.497 6.587 6.587 720 H VAL 101 H VAL 101 6.099 5.035 5.035 721 HA VAL 101 HA VAL 101 3.431 5.302 5.302 722 HB VAL 101 HB VAL 101 6.154 5.645 5.645 723 1HG1 VAL 101 3HG1 VAL 101 3.934 6.184 6.184 724 2HG1 VAL 101 2HG1 VAL 101 3.653 4.442 4.442 725 3HG1 VAL 101 1HG1 VAL 101 5.050 5.105 5.105 726 1HG2 VAL 101 1HG2 VAL 101 5.764 3.437 3.437 727 2HG2 VAL 101 3HG2 VAL 101 6.432 3.325 3.325 728 3HG2 VAL 101 2HG2 VAL 101 4.720 2.995 2.995 729 HA PRO 102 HA PRO 102 3.481 9.606 9.606 730 1HB PRO 102 2HB PRO 102 1.678 10.378 10.378 731 2HB PRO 102 1HB PRO 102 1.233 9.670 9.670 732 1HG PRO 102 2HG PRO 102 1.414 8.404 8.404 733 2HG PRO 102 1HG PRO 102 0.260 8.112 8.112 734 1HD PRO 102 2HD PRO 102 2.330 6.439 6.439 735 2HD PRO 102 1HD PRO 102 1.648 6.649 6.649 736 H ASP 103 H ASP 103 4.908 11.099 11.099 737 HA ASP 103 HA ASP 103 5.776 11.364 11.364 738 1HB ASP 103 2HB ASP 103 7.780 12.338 12.338 739 2HB ASP 103 1HB ASP 103 7.429 10.917 10.917 740 H ARG 104 H ARG 104 3.323 12.193 12.193 741 HA ARG 104 HA ARG 104 3.020 14.833 14.833 742 1HB ARG 104 2HB ARG 104 1.265 13.310 13.310 743 2HB ARG 104 1HB ARG 104 1.442 12.746 12.746 744 1HG ARG 104 2HG ARG 104 0.483 15.512 15.512 745 2HG ARG 104 1HG ARG 104 -0.587 14.143 14.143 746 1HD ARG 104 2HD ARG 104 0.947 15.779 15.779 747 2HD ARG 104 1HD ARG 104 -0.589 14.934 14.934 748 HE ARG 104 HE ARG 104 1.946 13.356 13.356 749 1HH1 ARG 104 1HH1 ARG 104 0.187 11.430 11.430 750 2HH1 ARG 104 2HH1 ARG 104 -0.168 11.557 11.557 751 1HH2 ARG 104 1HH2 ARG 104 1.025 14.799 14.799 752 2HH2 ARG 104 2HH2 ARG 104 0.311 13.462 13.462 753 H GLN 105 H GLN 105 3.962 13.640 13.640 754 HA GLN 105 HA GLN 105 3.066 15.944 15.944 755 1HB GLN 105 2HB GLN 105 4.424 14.868 14.868 756 2HB GLN 105 1HB GLN 105 3.462 13.658 13.658 757 1HG GLN 105 2HG GLN 105 5.295 12.729 12.729 758 2HG GLN 105 1HG GLN 105 6.187 14.251 14.251 759 1HE2 GLN 105 2HE2 GLN 105 8.033 13.267 13.267 760 2HE2 GLN 105 1HE2 GLN 105 8.002 14.050 14.050 761 H TRP 106 H TRP 106 5.352 15.721 15.721 762 HA TRP 106 HA TRP 106 7.291 17.559 17.559 763 1HB TRP 106 2HB TRP 106 8.341 15.674 15.674 764 2HB TRP 106 1HB TRP 106 7.320 15.766 15.766 765 HD1 TRP 106 HD TRP 106 9.548 15.894 15.894 766 HE1 TRP 106 1HE TRP 106 11.075 17.887 17.887 767 HE3 TRP 106 3HE TRP 106 8.125 19.192 19.192 768 HZ2 TRP 106 2HZ TRP 106 11.621 20.531 20.531 769 HZ3 TRP 106 3HZ TRP 106 9.164 21.438 21.438 770 HH2 TRP 106 HH TRP 106 10.908 22.110 22.110 Start of MODEL 2 1 1H SER 1 1HT SER 1 2.452 -10.031 -10.031 2 2H SER 1 3HT SER 1 0.944 -10.173 -10.173 3 3H SER 1 2HT SER 1 2.195 -11.252 -11.252 4 HA SER 1 HA SER 1 2.565 -9.889 -9.889 5 1HB SER 1 2HB SER 1 1.693 -7.348 -7.348 6 2HB SER 1 1HB SER 1 1.011 -8.256 -8.256 7 HG SER 1 HG SER 1 -0.326 -9.284 -9.284 8 H LYS 2 H LYS 2 4.372 -8.575 -8.575 9 HA LYS 2 HA LYS 2 6.524 -8.312 -8.312 10 1HB LYS 2 2HB LYS 2 6.148 -7.966 -7.966 11 2HB LYS 2 1HB LYS 2 6.102 -6.271 -6.271 12 1HG LYS 2 2HG LYS 2 8.349 -6.261 -6.261 13 2HG LYS 2 1HG LYS 2 8.275 -7.490 -7.490 14 1HD LYS 2 2HD LYS 2 7.869 -8.453 -8.453 15 2HD LYS 2 1HD LYS 2 9.497 -7.902 -7.902 16 1HE LYS 2 2HE LYS 2 9.823 -9.579 -9.579 17 2HE LYS 2 1HE LYS 2 8.087 -9.734 -9.734 18 1HZ LYS 2 1HZ LYS 2 7.841 -10.508 -10.508 19 2HZ LYS 2 3HZ LYS 2 9.532 -10.599 -10.599 20 3HZ LYS 2 2HZ LYS 2 8.690 -11.581 -11.581 21 H VAL 3 H VAL 3 6.653 -6.946 -6.946 22 HA VAL 3 HA VAL 3 5.236 -4.331 -4.331 23 HB VAL 3 HB VAL 3 5.015 -6.470 -6.470 24 1HG1 VAL 3 2HG1 VAL 3 5.384 -4.296 -4.296 25 2HG1 VAL 3 1HG1 VAL 3 4.086 -3.592 -3.592 26 3HG1 VAL 3 3HG1 VAL 3 3.724 -4.847 -4.847 27 1HG2 VAL 3 1HG2 VAL 3 3.442 -5.447 -5.447 28 2HG2 VAL 3 3HG2 VAL 3 3.166 -6.882 -6.882 29 3HG2 VAL 3 2HG2 VAL 3 2.554 -5.315 -5.315 30 H VAL 4 H VAL 4 6.158 -2.644 -2.644 31 HA VAL 4 HA VAL 4 8.637 -3.164 -3.164 32 HB VAL 4 HB VAL 4 8.323 -0.863 -0.863 33 1HG1 VAL 4 1HG1 VAL 4 10.149 -1.171 -1.171 34 2HG1 VAL 4 3HG1 VAL 4 10.882 -2.247 -2.247 35 3HG1 VAL 4 2HG1 VAL 4 10.603 -0.551 -0.551 36 1HG2 VAL 4 1HG2 VAL 4 9.102 -3.710 -3.710 37 2HG2 VAL 4 3HG2 VAL 4 8.087 -2.629 -2.629 38 3HG2 VAL 4 2HG2 VAL 4 9.835 -2.400 -2.400 39 H TYR 5 H TYR 5 8.608 -2.129 -2.129 40 HA TYR 5 HA TYR 5 6.388 -0.222 -0.222 41 1HB TYR 5 2HB TYR 5 8.251 -1.771 -1.771 42 2HB TYR 5 1HB TYR 5 6.755 -0.963 -0.963 43 HD1 TYR 5 1HD TYR 5 4.709 -1.535 -1.535 44 HD2 TYR 5 2HD TYR 5 8.084 -4.118 -4.118 45 HE1 TYR 5 1HE TYR 5 3.385 -3.514 -3.514 46 HE2 TYR 5 2HE TYR 5 6.751 -5.993 -5.993 47 HH TYR 5 HH TYR 5 3.791 -6.341 -6.341 48 H VAL 6 H VAL 6 6.736 1.824 1.824 49 HA VAL 6 HA VAL 6 9.617 2.667 2.667 50 HB VAL 6 HB VAL 6 7.386 4.512 4.512 51 1HG1 VAL 6 2HG1 VAL 6 10.001 4.959 4.959 52 2HG1 VAL 6 1HG1 VAL 6 10.116 4.704 4.704 53 3HG1 VAL 6 3HG1 VAL 6 9.068 5.970 5.970 54 1HG2 VAL 6 3HG2 VAL 6 7.426 2.484 2.484 55 2HG2 VAL 6 2HG2 VAL 6 7.780 4.004 4.004 56 3HG2 VAL 6 1HG2 VAL 6 9.091 2.897 2.897 57 H SER 7 H SER 7 9.965 4.384 4.384 58 HA SER 7 HA SER 7 7.879 4.449 4.449 59 1HB SER 7 2HB SER 7 9.585 3.792 3.792 60 2HB SER 7 1HB SER 7 10.658 3.782 3.782 61 HG SER 7 HG SER 7 10.474 5.556 5.556 62 H HIS 8 H HIS 8 7.537 6.551 6.551 63 HA HIS 8 HA HIS 8 7.598 8.765 8.765 64 1HB HIS 8 2HB HIS 8 7.337 10.041 10.041 65 2HB HIS 8 1HB HIS 8 6.055 8.992 8.992 66 HD1 HIS 8 1HD HIS 8 5.152 7.786 7.786 67 HD2 HIS 8 2HD HIS 8 9.292 8.043 8.043 68 HE1 HIS 8 1HE HIS 8 5.807 6.487 6.487 69 H ASP 9 H ASP 9 10.153 7.370 7.370 70 HA ASP 9 HA ASP 9 11.732 9.884 9.884 71 1HB ASP 9 2HB ASP 9 13.156 8.742 8.742 72 2HB ASP 9 1HB ASP 9 11.532 8.215 8.215 73 H GLY 10 H GLY 10 11.099 7.389 7.389 74 1HA GLY 10 2HA GLY 10 12.219 7.511 7.511 75 2HA GLY 10 1HA GLY 10 13.724 7.837 7.837 76 H THR 11 H THR 11 13.402 5.721 5.721 77 HA THR 11 HA THR 11 14.699 3.603 3.603 78 HB THR 11 HB THR 11 13.501 4.240 4.240 79 HG1 THR 11 1HG THR 11 15.255 2.125 2.125 80 1HG2 THR 11 3HG2 THR 11 12.826 1.508 1.508 81 2HG2 THR 11 2HG2 THR 11 13.147 1.733 1.733 82 3HG2 THR 11 1HG2 THR 11 11.821 2.600 2.600 83 H ARG 12 H ARG 12 14.062 1.986 1.986 84 HA ARG 12 HA ARG 12 11.127 1.585 1.585 85 1HB ARG 12 2HB ARG 12 13.517 1.827 1.827 86 2HB ARG 12 1HB ARG 12 12.080 0.962 0.962 87 1HG ARG 12 2HG ARG 12 10.717 2.989 2.989 88 2HG ARG 12 1HG ARG 12 12.231 3.842 3.842 89 1HD ARG 12 2HD ARG 12 11.383 2.601 2.601 90 2HD ARG 12 1HD ARG 12 11.501 4.335 4.335 91 HE ARG 12 HE ARG 12 13.934 4.046 4.046 92 1HH1 ARG 12 1HH1 ARG 12 12.389 2.247 2.247 93 2HH1 ARG 12 2HH1 ARG 12 13.654 1.084 1.084 94 1HH2 ARG 12 1HH2 ARG 12 15.482 2.166 2.166 95 2HH2 ARG 12 2HH2 ARG 12 15.405 1.038 1.038 96 H ARG 13 H ARG 13 10.569 -0.581 -0.581 97 HA ARG 13 HA ARG 13 12.527 -2.750 -2.750 98 1HB ARG 13 2HB ARG 13 10.753 -1.998 -1.998 99 2HB ARG 13 1HB ARG 13 9.656 -2.963 -2.963 100 1HG ARG 13 2HG ARG 13 10.486 -4.857 -4.857 101 2HG ARG 13 1HG ARG 13 12.111 -4.410 -4.410 102 1HD ARG 13 2HD ARG 13 10.759 -3.631 -3.631 103 2HD ARG 13 1HD ARG 13 12.194 -4.655 -4.655 104 HE ARG 13 HE ARG 13 12.547 -2.072 -2.072 105 1HH1 ARG 13 1HH1 ARG 13 13.500 -4.138 -4.138 106 2HH1 ARG 13 2HH1 ARG 13 14.203 -2.900 -2.900 107 1HH2 ARG 13 1HH2 ARG 13 13.063 -0.297 -0.297 108 2HH2 ARG 13 2HH2 ARG 13 13.957 -0.727 -0.727 109 H GLU 14 H GLU 14 11.935 -4.782 -4.782 110 HA GLU 14 HA GLU 14 9.862 -4.396 -4.396 111 1HB GLU 14 2HB GLU 14 12.512 -5.819 -5.819 112 2HB GLU 14 1HB GLU 14 11.408 -5.265 -5.265 113 1HG GLU 14 2HG GLU 14 12.696 -3.408 -3.408 114 2HG GLU 14 1HG GLU 14 11.935 -2.949 -2.949 115 H LEU 15 H LEU 15 8.374 -6.071 -6.071 116 HA LEU 15 HA LEU 15 9.231 -8.659 -8.659 117 1HB LEU 15 2HB LEU 15 6.714 -7.027 -7.027 118 2HB LEU 15 1HB LEU 15 6.607 -8.771 -8.771 119 HG LEU 15 HG LEU 15 8.256 -6.874 -6.874 120 1HD1 LEU 15 1HD1 LEU 15 5.570 -8.023 -8.023 121 2HD1 LEU 15 3HD1 LEU 15 6.578 -8.462 -8.462 122 3HD1 LEU 15 2HD1 LEU 15 6.308 -6.763 -6.763 123 1HD2 LEU 15 2HD2 LEU 15 9.306 -9.100 -9.100 124 2HD2 LEU 15 1HD2 LEU 15 8.833 -8.781 -8.781 125 3HD2 LEU 15 3HD2 LEU 15 7.826 -9.829 -9.829 126 H ASP 16 H ASP 16 8.475 -10.556 -10.556 127 HA ASP 16 HA ASP 16 7.499 -10.232 -10.232 128 1HB ASP 16 2HB ASP 16 9.674 -11.534 -11.534 129 2HB ASP 16 1HB ASP 16 8.507 -12.799 -12.799 130 H VAL 17 H VAL 17 5.276 -9.973 -9.973 131 HA VAL 17 HA VAL 17 4.040 -12.033 -12.033 132 HB VAL 17 HB VAL 17 3.206 -9.369 -9.369 133 1HG1 VAL 17 3HG1 VAL 17 1.598 -11.368 -11.368 134 2HG1 VAL 17 2HG1 VAL 17 1.137 -9.675 -9.675 135 3HG1 VAL 17 1HG1 VAL 17 1.214 -10.736 -10.736 136 1HG2 VAL 17 1HG2 VAL 17 4.531 -10.212 -10.212 137 2HG2 VAL 17 3HG2 VAL 17 4.035 -8.580 -8.580 138 3HG2 VAL 17 2HG2 VAL 17 2.932 -9.619 -9.619 139 H ALA 18 H ALA 18 1.882 -12.886 -12.886 140 HA ALA 18 HA ALA 18 1.943 -13.487 -13.487 141 1HB ALA 18 1HB ALA 18 2.449 -15.368 -15.368 142 2HB ALA 18 3HB ALA 18 0.912 -15.104 -15.104 143 3HB ALA 18 2HB ALA 18 0.927 -15.637 -15.637 144 H ASP 19 H ASP 19 -0.762 -14.889 -14.889 145 HA ASP 19 HA ASP 19 -2.431 -12.460 -12.460 146 1HB ASP 19 2HB ASP 19 -3.802 -13.895 -13.895 147 2HB ASP 19 1HB ASP 19 -2.154 -14.414 -14.414 148 H GLY 20 H GLY 20 -3.682 -11.886 -11.886 149 1HA GLY 20 2HA GLY 20 -5.517 -12.539 -12.539 150 2HA GLY 20 1HA GLY 20 -4.653 -14.047 -14.047 151 H VAL 21 H VAL 21 -2.213 -11.893 -11.893 152 HA VAL 21 HA VAL 21 -2.292 -11.631 -11.631 153 HB VAL 21 HB VAL 21 -0.105 -11.174 -11.174 154 1HG1 VAL 21 2HG1 VAL 21 -0.145 -11.176 -11.176 155 2HG1 VAL 21 1HG1 VAL 21 1.342 -11.426 -11.426 156 3HG1 VAL 21 3HG1 VAL 21 0.448 -9.915 -9.915 157 1HG2 VAL 21 3HG2 VAL 21 -1.088 -13.567 -13.567 158 2HG2 VAL 21 2HG2 VAL 21 -0.219 -13.461 -13.461 159 3HG2 VAL 21 1HG2 VAL 21 0.663 -13.343 -13.343 160 H SER 22 H SER 22 -1.307 -9.592 -9.592 161 HA SER 22 HA SER 22 -2.196 -7.182 -7.182 162 1HB SER 22 2HB SER 22 -2.153 -6.615 -6.615 163 2HB SER 22 1HB SER 22 -3.583 -6.903 -6.903 164 HG SER 22 HG SER 22 -3.598 -8.990 -8.990 165 H LEU 23 H LEU 23 -0.849 -5.221 -5.221 166 HA LEU 23 HA LEU 23 1.934 -5.599 -5.599 167 1HB LEU 23 2HB LEU 23 0.479 -3.296 -3.296 168 2HB LEU 23 1HB LEU 23 2.049 -3.226 -3.226 169 HG LEU 23 HG LEU 23 -0.655 -3.552 -3.552 170 1HD1 LEU 23 1HD1 LEU 23 0.885 -1.356 -1.356 171 2HD1 LEU 23 3HD1 LEU 23 1.490 -1.869 -1.869 172 3HD1 LEU 23 2HD1 LEU 23 -0.225 -1.515 -1.515 173 1HD2 LEU 23 3HD2 LEU 23 1.981 -4.577 -4.577 174 2HD2 LEU 23 2HD2 LEU 23 0.361 -5.172 -5.172 175 3HD2 LEU 23 1HD2 LEU 23 0.985 -3.758 -3.758 176 H MET 24 H MET 24 -0.132 -5.329 -5.329 177 HA MET 24 HA MET 24 2.063 -5.256 -5.256 178 1HB MET 24 2HB MET 24 0.033 -4.335 -4.335 179 2HB MET 24 1HB MET 24 -0.892 -5.730 -5.730 180 1HG MET 24 2HG MET 24 -0.657 -6.709 -6.709 181 2HG MET 24 1HG MET 24 1.096 -6.597 -6.597 182 1HE MET 24 2HE MET 24 -0.954 -6.525 -6.525 183 2HE MET 24 1HE MET 24 0.715 -6.375 -6.375 184 3HE MET 24 3HE MET 24 -0.518 -5.236 -5.236 185 H GLN 25 H GLN 25 -0.308 -7.801 -7.801 186 HA GLN 25 HA GLN 25 0.603 -9.872 -9.872 187 1HB GLN 25 2HB GLN 25 -1.246 -9.903 -9.903 188 2HB GLN 25 1HB GLN 25 -0.115 -9.814 -9.814 189 1HG GLN 25 2HG GLN 25 0.654 -12.019 -12.019 190 2HG GLN 25 1HG GLN 25 0.016 -12.069 -12.069 191 1HE2 GLN 25 2HE2 GLN 25 -3.227 -11.909 -11.909 192 2HE2 GLN 25 1HE2 GLN 25 -2.240 -10.557 -10.557 193 H ALA 26 H ALA 26 1.884 -9.691 -9.691 194 HA ALA 26 HA ALA 26 4.037 -11.453 -11.453 195 1HB ALA 26 2HB ALA 26 3.685 -8.925 -8.925 196 2HB ALA 26 1HB ALA 26 5.212 -9.844 -9.844 197 3HB ALA 26 3HB ALA 26 3.678 -10.609 -10.609 198 H ALA 27 H ALA 27 4.086 -7.929 -7.929 199 HA ALA 27 HA ALA 27 6.728 -7.640 -7.640 200 1HB ALA 27 2HB ALA 27 4.088 -6.219 -6.219 201 2HB ALA 27 1HB ALA 27 5.467 -5.597 -5.597 202 3HB ALA 27 3HB ALA 27 5.544 -5.721 -5.721 203 H VAL 28 H VAL 28 3.699 -7.669 -7.669 204 HA VAL 28 HA VAL 28 4.253 -7.704 -7.704 205 HB VAL 28 HB VAL 28 2.403 -8.852 -8.852 206 1HG1 VAL 28 3HG1 VAL 28 3.147 -10.627 -10.627 207 2HG1 VAL 28 2HG1 VAL 28 1.466 -10.548 -10.548 208 3HG1 VAL 28 1HG1 VAL 28 2.714 -11.073 -11.073 209 1HG2 VAL 28 1HG2 VAL 28 2.170 -7.045 -7.045 210 2HG2 VAL 28 3HG2 VAL 28 0.797 -8.083 -8.083 211 3HG2 VAL 28 2HG2 VAL 28 1.775 -8.415 -8.415 212 H SER 29 H SER 29 4.412 -10.769 -10.769 213 HA SER 29 HA SER 29 5.753 -12.298 -12.298 214 1HB SER 29 2HB SER 29 5.125 -13.788 -13.788 215 2HB SER 29 1HB SER 29 4.765 -12.470 -12.470 216 HG SER 29 HG SER 29 6.958 -14.141 -14.141 217 H ASN 30 H ASN 30 6.897 -10.640 -10.640 218 HA ASN 30 HA ASN 30 9.687 -11.149 -11.149 219 1HB ASN 30 2HB ASN 30 7.839 -9.300 -9.300 220 2HB ASN 30 1HB ASN 30 9.473 -8.678 -8.678 221 1HD2 ASN 30 2HD2 ASN 30 8.769 -11.548 -11.548 222 2HD2 ASN 30 1HD2 ASN 30 7.519 -10.816 -10.816 223 H GLY 31 H GLY 31 7.491 -9.359 -9.359 224 1HA GLY 31 2HA GLY 31 7.981 -8.183 -8.183 225 2HA GLY 31 1HA GLY 31 9.703 -8.325 -8.325 226 H ILE 32 H ILE 32 8.484 -7.267 -7.267 227 HA ILE 32 HA ILE 32 9.562 -4.727 -4.727 228 HB ILE 32 HB ILE 32 7.113 -5.965 -5.965 229 1HG1 ILE 32 2HG1 ILE 32 9.799 -5.198 -5.198 230 2HG1 ILE 32 1HG1 ILE 32 9.371 -6.816 -6.816 231 1HG2 ILE 32 3HG2 ILE 32 8.327 -3.262 -3.262 232 2HG2 ILE 32 2HG2 ILE 32 7.104 -4.077 -4.077 233 3HG2 ILE 32 1HG2 ILE 32 6.713 -3.543 -3.543 234 1HD1 ILE 32 2HD1 ILE 32 7.362 -5.718 -5.718 235 2HD1 ILE 32 1HD1 ILE 32 8.947 -5.800 -5.800 236 3HD1 ILE 32 3HD1 ILE 32 8.219 -7.257 -7.257 237 H TYR 33 H TYR 33 6.537 -5.750 -5.750 238 HA TYR 33 HA TYR 33 6.017 -2.926 -2.926 239 1HB TYR 33 2HB TYR 33 4.314 -5.395 -5.395 240 2HB TYR 33 1HB TYR 33 3.749 -3.970 -3.970 241 HD1 TYR 33 1HD TYR 33 3.884 -1.693 -1.693 242 HD2 TYR 33 2HD TYR 33 4.215 -5.490 -5.490 243 HE1 TYR 33 1HE TYR 33 3.308 -0.618 -0.618 244 HE2 TYR 33 2HE TYR 33 3.628 -4.459 -4.459 245 HH TYR 33 HH TYR 33 3.319 -2.511 -2.511 246 H ASP 34 H ASP 34 7.995 -3.806 -3.806 247 HA ASP 34 HA ASP 34 7.494 -5.501 -5.501 248 1HB ASP 34 2HB ASP 34 9.094 -3.983 -3.983 249 2HB ASP 34 1HB ASP 34 9.638 -4.370 -4.370 250 H ILE 35 H ILE 35 6.123 -2.455 -2.455 251 HA ILE 35 HA ILE 35 4.972 -1.813 -1.813 252 HB ILE 35 HB ILE 35 5.643 -0.168 -0.168 253 1HG1 ILE 35 2HG1 ILE 35 2.646 -0.078 -0.078 254 2HG1 ILE 35 1HG1 ILE 35 3.766 0.222 0.222 255 1HG2 ILE 35 2HG2 ILE 35 4.629 -1.858 -1.858 256 2HG2 ILE 35 1HG2 ILE 35 3.192 -0.866 -0.866 257 3HG2 ILE 35 3HG2 ILE 35 4.695 -0.124 -0.124 258 1HD1 ILE 35 1HD1 ILE 35 4.876 1.964 1.964 259 2HD1 ILE 35 3HD1 ILE 35 3.501 1.782 1.782 260 3HD1 ILE 35 2HD1 ILE 35 3.252 2.368 2.368 261 H VAL 36 H VAL 36 3.454 -3.348 -3.348 262 HA VAL 36 HA VAL 36 1.464 -4.373 -4.373 263 HB VAL 36 HB VAL 36 2.096 -5.222 -5.222 264 1HG1 VAL 36 2HG1 VAL 36 0.570 -6.552 -6.552 265 2HG1 VAL 36 1HG1 VAL 36 0.981 -7.332 -7.332 266 3HG1 VAL 36 3HG1 VAL 36 -0.112 -5.949 -5.949 267 1HG2 VAL 36 2HG2 VAL 36 3.550 -5.575 -5.575 268 2HG2 VAL 36 1HG2 VAL 36 3.986 -6.107 -6.107 269 3HG2 VAL 36 3HG2 VAL 36 2.985 -7.135 -7.135 270 H GLY 37 H GLY 37 -0.746 -4.003 -4.003 271 1HA GLY 37 2HA GLY 37 -1.523 -2.214 -2.214 272 2HA GLY 37 1HA GLY 37 -2.207 -2.048 -2.048 273 H ASP 38 H ASP 38 -4.354 -2.606 -2.606 274 HA ASP 38 HA ASP 38 -4.899 -5.164 -5.164 275 1HB ASP 38 2HB ASP 38 -6.184 -2.533 -2.533 276 2HB ASP 38 1HB ASP 38 -7.309 -3.884 -3.884 277 H CYS 39 H CYS 39 -4.358 -4.198 -4.198 278 HA CYS 39 HA CYS 39 -6.568 -5.219 -5.219 279 1HB CYS 39 2HB CYS 39 -4.885 -4.970 -4.970 280 2HB CYS 39 1HB CYS 39 -4.963 -3.589 -3.589 281 H GLY 40 H GLY 40 -3.482 -6.715 -6.715 282 1HA GLY 40 2HA GLY 40 -2.748 -8.948 -8.948 283 2HA GLY 40 1HA GLY 40 -4.390 -9.324 -9.324 284 H GLY 41 H GLY 41 -3.707 -7.522 -7.522 285 1HA GLY 41 2HA GLY 41 -3.877 -8.142 -8.142 286 2HA GLY 41 1HA GLY 41 -4.067 -9.824 -9.824 287 H SER 42 H SER 42 -5.988 -7.116 -7.116 288 HA SER 42 HA SER 42 -8.328 -8.108 -8.108 289 1HB SER 42 2HB SER 42 -8.070 -9.165 -9.165 290 2HB SER 42 1HB SER 42 -8.377 -7.563 -7.563 291 HG SER 42 HG SER 42 -10.093 -8.754 -8.754 292 H ALA 43 H ALA 43 -6.519 -5.477 -5.477 293 HA ALA 43 HA ALA 43 -6.886 -3.199 -3.199 294 1HB ALA 43 3HB ALA 43 -8.643 -4.471 -4.471 295 2HB ALA 43 2HB ALA 43 -9.779 -3.677 -3.677 296 3HB ALA 43 1HB ALA 43 -8.642 -2.717 -2.717 297 H SER 44 H SER 44 -6.775 -3.672 -3.672 298 HA SER 44 HA SER 44 -8.861 -1.925 -1.925 299 1HB SER 44 2HB SER 44 -7.744 -3.880 -3.880 300 2HB SER 44 1HB SER 44 -9.433 -3.561 -3.561 301 HG SER 44 HG SER 44 -9.318 -5.431 -5.431 302 H CYS 45 H CYS 45 -6.071 -1.614 -1.614 303 HA CYS 45 HA CYS 45 -4.580 -1.020 -1.020 304 1HB CYS 45 2HB CYS 45 -2.590 -1.072 -1.072 305 2HB CYS 45 1HB CYS 45 -3.457 -2.584 -2.584 306 H ALA 46 H ALA 46 -3.649 0.909 0.909 307 HA ALA 46 HA ALA 46 -4.213 3.178 3.178 308 1HB ALA 46 1HB ALA 46 -4.308 2.764 2.764 309 2HB ALA 46 3HB ALA 46 -3.573 4.286 4.286 310 3HB ALA 46 2HB ALA 46 -5.221 3.892 3.892 311 H THR 47 H THR 47 -1.848 1.068 1.068 312 HA THR 47 HA THR 47 0.346 3.098 3.098 313 HB THR 47 HB THR 47 1.623 1.401 1.401 314 HG1 THR 47 1HG THR 47 -0.292 -0.576 -0.576 315 1HG2 THR 47 3HG2 THR 47 -0.877 2.095 2.095 316 2HG2 THR 47 2HG2 THR 47 -0.823 0.341 0.341 317 3HG2 THR 47 1HG2 THR 47 0.434 1.339 1.339 318 H CYS 48 H CYS 48 -0.949 0.386 0.386 319 HA CYS 48 HA CYS 48 1.376 0.334 0.334 320 1HB CYS 48 2HB CYS 48 -1.197 -0.983 -0.983 321 2HB CYS 48 1HB CYS 48 0.432 -1.573 -1.573 322 H HIS 49 H HIS 49 -0.147 2.901 2.901 323 HA HIS 49 HA HIS 49 -1.885 3.330 3.330 324 1HB HIS 49 2HB HIS 49 -1.220 4.829 4.829 325 2HB HIS 49 1HB HIS 49 0.196 5.263 5.263 326 HD1 HIS 49 1HD HIS 49 -1.979 7.385 7.385 327 HD2 HIS 49 2HD HIS 49 -1.908 5.212 5.212 328 HE1 HIS 49 1HE HIS 49 -3.288 8.735 8.735 329 H VAL 50 H VAL 50 -1.451 3.496 3.496 330 HA VAL 50 HA VAL 50 1.340 3.993 3.993 331 HB VAL 50 HB VAL 50 1.253 2.010 2.010 332 1HG1 VAL 50 1HG1 VAL 50 1.958 2.059 2.059 333 2HG1 VAL 50 3HG1 VAL 50 0.601 0.946 0.946 334 3HG1 VAL 50 2HG1 VAL 50 1.944 0.554 0.554 335 1HG2 VAL 50 1HG2 VAL 50 -1.324 2.092 2.092 336 2HG2 VAL 50 3HG2 VAL 50 -0.570 0.491 0.491 337 3HG2 VAL 50 2HG2 VAL 50 -1.233 1.200 1.200 338 H TYR 51 H TYR 51 1.464 4.459 4.459 339 HA TYR 51 HA TYR 51 -1.143 5.207 5.207 340 1HB TYR 51 2HB TYR 51 1.459 6.640 6.640 341 2HB TYR 51 1HB TYR 51 0.411 7.063 7.063 342 HD1 TYR 51 1HD TYR 51 0.411 6.589 6.589 343 HD2 TYR 51 2HD TYR 51 -1.536 8.305 8.305 344 HE1 TYR 51 1HE TYR 51 -1.159 7.791 7.791 345 HE2 TYR 51 2HE TYR 51 -3.076 9.504 9.504 346 HH TYR 51 HH TYR 51 -3.256 8.866 8.866 347 H VAL 52 H VAL 52 -1.434 4.468 4.468 348 HA VAL 52 HA VAL 52 0.735 2.787 2.787 349 HB VAL 52 HB VAL 52 -2.068 3.276 3.276 350 1HG1 VAL 52 2HG1 VAL 52 -0.357 2.171 2.171 351 2HG1 VAL 52 1HG1 VAL 52 -0.213 0.885 0.885 352 3HG1 VAL 52 3HG1 VAL 52 -1.752 1.156 1.156 353 1HG2 VAL 52 3HG2 VAL 52 -1.185 2.065 2.065 354 2HG2 VAL 52 2HG2 VAL 52 -2.821 2.111 2.111 355 3HG2 VAL 52 1HG2 VAL 52 -1.738 0.781 0.781 356 H ASN 53 H ASN 53 1.482 3.227 3.227 357 HA ASN 53 HA ASN 53 1.982 5.989 5.989 358 1HB ASN 53 2HB ASN 53 2.421 5.011 5.011 359 2HB ASN 53 1HB ASN 53 3.326 4.273 4.273 360 1HD2 ASN 53 2HD2 ASN 53 1.768 1.145 1.145 361 2HD2 ASN 53 1HD2 ASN 53 2.903 2.078 2.078 362 H GLU 54 H GLU 54 1.120 6.234 6.234 363 HA GLU 54 HA GLU 54 -1.779 6.772 6.772 364 1HB GLU 54 2HB GLU 54 -1.468 8.339 8.339 365 2HB GLU 54 1HB GLU 54 -0.218 8.601 8.601 366 1HG GLU 54 2HG GLU 54 0.698 6.585 6.585 367 2HG GLU 54 1HG GLU 54 0.134 7.969 7.969 368 H ALA 55 H ALA 55 0.231 4.482 4.482 369 HA ALA 55 HA ALA 55 -1.667 3.953 3.953 370 1HB ALA 55 1HB ALA 55 1.165 3.326 3.326 371 2HB ALA 55 3HB ALA 55 0.324 2.226 2.226 372 3HB ALA 55 2HB ALA 55 0.488 3.932 3.932 373 H PHE 56 H PHE 56 -0.283 2.238 2.238 374 HA PHE 56 HA PHE 56 -1.796 -0.194 -0.194 375 1HB PHE 56 2HB PHE 56 0.028 0.705 0.705 376 2HB PHE 56 1HB PHE 56 -0.720 -0.889 -0.889 377 HD1 PHE 56 1HD PHE 56 1.502 1.396 1.396 378 HD2 PHE 56 2HD PHE 56 0.139 -2.689 -2.689 379 HE1 PHE 56 1HE PHE 56 3.195 0.653 0.653 380 HE2 PHE 56 2HE PHE 56 1.813 -3.373 -3.373 381 HZ PHE 56 HZ PHE 56 3.353 -1.731 -1.731 382 H THR 57 H THR 57 -2.798 2.678 2.678 383 HA THR 57 HA THR 57 -4.410 1.636 1.636 384 HB THR 57 HB THR 57 -5.069 3.914 3.914 385 HG1 THR 57 1HG THR 57 -5.280 5.243 5.243 386 1HG2 THR 57 3HG2 THR 57 -2.559 3.419 3.419 387 2HG2 THR 57 2HG2 THR 57 -2.418 4.185 4.185 388 3HG2 THR 57 1HG2 THR 57 -3.020 5.109 5.109 389 H ASP 58 H ASP 58 -5.154 3.046 3.046 390 HA ASP 58 HA ASP 58 -7.946 2.446 2.446 391 1HB ASP 58 2HB ASP 58 -7.751 3.127 3.127 392 2HB ASP 58 1HB ASP 58 -6.466 3.993 3.993 393 H LYS 59 H LYS 59 -5.254 0.401 0.401 394 HA LYS 59 HA LYS 59 -6.336 -1.686 -1.686 395 1HB LYS 59 2HB LYS 59 -4.225 -1.885 -1.885 396 2HB LYS 59 1HB LYS 59 -4.313 -2.791 -2.791 397 1HG LYS 59 2HG LYS 59 -3.670 0.152 0.152 398 2HG LYS 59 1HG LYS 59 -2.631 -1.110 -1.110 399 1HD LYS 59 2HD LYS 59 -5.275 -0.284 -0.284 400 2HD LYS 59 1HD LYS 59 -3.708 0.332 0.332 401 1HE LYS 59 2HE LYS 59 -3.480 -1.492 -1.492 402 2HE LYS 59 1HE LYS 59 -3.499 -2.514 -2.514 403 1HZ LYS 59 1HZ LYS 59 -6.025 -1.384 -1.384 404 2HZ LYS 59 3HZ LYS 59 -5.382 -2.734 -2.734 405 3HZ LYS 59 2HZ LYS 59 -5.750 -2.825 -2.825 406 H VAL 60 H VAL 60 -5.510 -1.403 -1.403 407 HA VAL 60 HA VAL 60 -6.951 -3.779 -3.779 408 HB VAL 60 HB VAL 60 -4.686 -2.350 -2.350 409 1HG1 VAL 60 2HG1 VAL 60 -6.721 -1.638 -1.638 410 2HG1 VAL 60 1HG1 VAL 60 -4.986 -1.627 -1.627 411 3HG1 VAL 60 3HG1 VAL 60 -5.657 -0.579 -0.579 412 1HG2 VAL 60 2HG2 VAL 60 -5.955 -4.700 -4.700 413 2HG2 VAL 60 1HG2 VAL 60 -4.251 -4.270 -4.270 414 3HG2 VAL 60 3HG2 VAL 60 -5.337 -3.890 -3.890 415 HA PRO 61 HA PRO 61 -10.715 -1.868 -1.868 416 1HB PRO 61 2HB PRO 61 -11.234 -3.157 -3.157 417 2HB PRO 61 1HB PRO 61 -11.468 -3.886 -3.886 418 1HG PRO 61 2HG PRO 61 -9.168 -4.170 -4.170 419 2HG PRO 61 1HG PRO 61 -9.995 -5.418 -5.418 420 1HD PRO 61 2HD PRO 61 -7.638 -4.404 -4.404 421 2HD PRO 61 1HD PRO 61 -8.906 -4.829 -4.829 422 H ALA 62 H ALA 62 -11.664 -0.495 -0.495 423 HA ALA 62 HA ALA 62 -9.767 1.281 1.281 424 1HB ALA 62 2HB ALA 62 -12.260 1.352 1.352 425 2HB ALA 62 1HB ALA 62 -12.613 1.717 1.717 426 3HB ALA 62 3HB ALA 62 -11.460 2.711 2.711 427 H ALA 63 H ALA 63 -11.000 2.164 2.164 428 HA ALA 63 HA ALA 63 -11.001 -0.195 -0.195 429 1HB ALA 63 3HB ALA 63 -10.326 2.739 2.739 430 2HB ALA 63 2HB ALA 63 -10.309 1.573 1.573 431 3HB ALA 63 1HB ALA 63 -9.200 1.385 1.385 432 H ASN 64 H ASN 64 -12.465 -0.006 -0.006 433 HA ASN 64 HA ASN 64 -15.075 1.204 1.204 434 1HB ASN 64 2HB ASN 64 -15.947 -0.373 -0.373 435 2HB ASN 64 1HB ASN 64 -14.903 -1.208 -1.208 436 1HD2 ASN 64 2HD2 ASN 64 -13.617 -2.445 -2.445 437 2HD2 ASN 64 1HD2 ASN 64 -14.876 -2.734 -2.734 438 H GLU 65 H GLU 65 -16.149 1.212 1.212 439 HA GLU 65 HA GLU 65 -15.320 3.838 3.838 440 1HB GLU 65 2HB GLU 65 -17.177 3.569 3.569 441 2HB GLU 65 1HB GLU 65 -17.621 2.675 2.675 442 1HG GLU 65 2HG GLU 65 -16.436 0.670 0.670 443 2HG GLU 65 1HG GLU 65 -16.835 1.635 1.635 444 H ARG 66 H ARG 66 -14.597 0.516 0.516 445 HA ARG 66 HA ARG 66 -13.510 1.043 1.043 446 1HB ARG 66 2HB ARG 66 -13.824 -1.130 -1.130 447 2HB ARG 66 1HB ARG 66 -12.109 -1.037 -1.037 448 1HG ARG 66 2HG ARG 66 -12.611 -1.102 -1.102 449 2HG ARG 66 1HG ARG 66 -14.348 -1.057 -1.057 450 1HD ARG 66 2HD ARG 66 -12.455 -3.264 -3.264 451 2HD ARG 66 1HD ARG 66 -13.605 -3.380 -3.380 452 HE ARG 66 HE ARG 66 -15.005 -2.476 -2.476 453 1HH1 ARG 66 1HH2 ARG 66 -12.959 -5.138 -5.138 454 2HH1 ARG 66 2HH2 ARG 66 -14.123 -6.323 -6.323 455 1HH2 ARG 66 1HH1 ARG 66 -16.727 -4.047 -4.047 456 2HH2 ARG 66 2HH1 ARG 66 -16.256 -5.704 -5.704 457 H GLU 67 H GLU 67 -11.956 0.688 0.688 458 HA GLU 67 HA GLU 67 -9.329 1.420 1.420 459 1HB GLU 67 2HB GLU 67 -9.623 0.008 0.008 460 2HB GLU 67 1HB GLU 67 -10.719 1.155 1.155 461 1HG GLU 67 2HG GLU 67 -8.978 2.644 2.644 462 2HG GLU 67 1HG GLU 67 -7.881 1.930 1.930 463 H ILE 68 H ILE 68 -11.840 3.450 3.450 464 HA ILE 68 HA ILE 68 -10.620 5.700 5.700 465 HB ILE 68 HB ILE 68 -13.230 4.905 4.905 466 1HG1 ILE 68 2HG1 ILE 68 -14.036 6.091 6.091 467 2HG1 ILE 68 1HG1 ILE 68 -12.547 7.027 7.027 468 1HG2 ILE 68 3HG2 ILE 68 -12.631 6.815 6.815 469 2HG2 ILE 68 2HG2 ILE 68 -12.538 7.852 7.852 470 3HG2 ILE 68 1HG2 ILE 68 -14.068 7.090 7.090 471 1HD1 ILE 68 2HD1 ILE 68 -12.005 4.169 4.169 472 2HD1 ILE 68 1HD1 ILE 68 -13.119 4.628 4.628 473 3HD1 ILE 68 3HD1 ILE 68 -11.542 5.408 5.408 474 H GLY 69 H GLY 69 -11.461 4.871 4.871 475 1HA GLY 69 2HA GLY 69 -10.031 7.262 7.262 476 2HA GLY 69 1HA GLY 69 -10.845 6.081 6.081 477 H MET 70 H MET 70 -9.674 3.744 3.744 478 HA MET 70 HA MET 70 -7.166 3.805 3.805 479 1HB MET 70 2HB MET 70 -6.839 1.573 1.573 480 2HB MET 70 1HB MET 70 -8.308 1.704 1.704 481 1HG MET 70 2HG MET 70 -9.354 2.574 2.574 482 2HG MET 70 1HG MET 70 -7.932 1.854 1.854 483 1HE MET 70 1HE MET 70 -7.945 0.079 0.079 484 2HE MET 70 3HE MET 70 -7.279 -0.864 -0.864 485 3HE MET 70 2HE MET 70 -8.632 -1.489 -1.489 486 H LEU 71 H LEU 71 -7.899 3.794 3.794 487 HA LEU 71 HA LEU 71 -5.176 3.868 3.868 488 1HB LEU 71 2HB LEU 71 -7.245 3.307 3.307 489 2HB LEU 71 1HB LEU 71 -7.723 5.003 5.003 490 HG LEU 71 HG LEU 71 -5.874 3.752 3.752 491 1HD1 LEU 71 3HD1 LEU 71 -7.951 5.585 5.585 492 2HD1 LEU 71 2HD1 LEU 71 -6.531 6.598 6.598 493 3HD1 LEU 71 1HD1 LEU 71 -6.895 5.253 5.253 494 1HD2 LEU 71 1HD2 LEU 71 -4.249 4.850 4.850 495 2HD2 LEU 71 3HD2 LEU 71 -4.137 5.424 5.424 496 3HD2 LEU 71 2HD2 LEU 71 -4.980 6.386 6.386 497 H GLU 72 H GLU 72 -7.531 6.350 6.350 498 HA GLU 72 HA GLU 72 -5.652 8.554 8.554 499 1HB GLU 72 2HB GLU 72 -7.964 8.970 8.970 500 2HB GLU 72 1HB GLU 72 -8.437 8.234 8.234 501 1HG GLU 72 2HG GLU 72 -8.038 10.131 10.131 502 2HG GLU 72 1HG GLU 72 -6.580 10.524 10.524 503 H CYS 73 H CYS 73 -4.943 6.408 6.408 504 HA CYS 73 HA CYS 73 -5.282 7.147 7.147 505 1HB CYS 73 2HB CYS 73 -2.542 6.563 6.563 506 2HB CYS 73 1HB CYS 73 -3.795 5.427 5.427 507 HG CYS 73 HG CYS 73 -2.471 5.856 5.856 508 H VAL 74 H VAL 74 -2.189 7.825 7.825 509 HA VAL 74 HA VAL 74 -1.873 10.370 10.370 510 HB VAL 74 HB VAL 74 0.361 10.203 10.203 511 1HG1 VAL 74 3HG1 VAL 74 -0.684 8.140 8.140 512 2HG1 VAL 74 2HG1 VAL 74 -0.268 7.281 7.281 513 3HG1 VAL 74 1HG1 VAL 74 0.986 8.118 8.118 514 1HG2 VAL 74 1HG2 VAL 74 -0.791 8.442 8.442 515 2HG2 VAL 74 3HG2 VAL 74 -0.092 10.048 10.048 516 3HG2 VAL 74 2HG2 VAL 74 0.935 8.686 8.686 517 H THR 75 H THR 75 -2.441 12.336 12.336 518 HA THR 75 HA THR 75 -3.934 12.764 12.764 519 HB THR 75 HB THR 75 -3.486 14.357 14.357 520 HG1 THR 75 1HG THR 75 -4.200 15.631 15.631 521 1HG2 THR 75 1HG2 THR 75 -0.780 13.840 13.840 522 2HG2 THR 75 3HG2 THR 75 -1.093 15.562 15.562 523 3HG2 THR 75 2HG2 THR 75 -1.364 14.816 14.816 524 H ALA 76 H ALA 76 -2.916 11.390 11.390 525 HA ALA 76 HA ALA 76 -0.356 12.453 12.453 526 1HB ALA 76 3HB ALA 76 -0.525 10.049 10.049 527 2HB ALA 76 2HB ALA 76 -1.928 9.907 9.907 528 3HB ALA 76 1HB ALA 76 -0.345 10.280 10.280 529 H GLU 77 H GLU 77 -2.544 14.121 14.121 530 HA GLU 77 HA GLU 77 -3.976 15.008 15.008 531 1HB GLU 77 2HB GLU 77 -2.649 15.390 15.390 532 2HB GLU 77 1HB GLU 77 -1.684 15.673 15.673 533 1HG GLU 77 2HG GLU 77 -0.576 13.559 13.559 534 2HG GLU 77 1HG GLU 77 -1.705 13.023 13.023 535 H LEU 78 H LEU 78 -5.138 12.760 12.760 536 HA LEU 78 HA LEU 78 -5.351 10.520 10.520 537 1HB LEU 78 2HB LEU 78 -7.074 12.336 12.336 538 2HB LEU 78 1HB LEU 78 -7.900 11.816 11.816 539 HG LEU 78 HG LEU 78 -7.538 9.470 9.470 540 1HD1 LEU 78 3HD1 LEU 78 -5.461 10.517 10.517 541 2HD1 LEU 78 2HD1 LEU 78 -6.620 9.845 9.845 542 3HD1 LEU 78 1HD1 LEU 78 -5.942 8.825 8.825 543 1HD2 LEU 78 1HD2 LEU 78 -8.646 11.138 11.138 544 2HD2 LEU 78 3HD2 LEU 78 -9.546 10.487 10.487 545 3HD2 LEU 78 2HD2 LEU 78 -8.877 9.397 9.397 546 H LYS 79 H LYS 79 -5.988 9.851 9.851 547 HA LYS 79 HA LYS 79 -6.636 11.941 11.941 548 1HB LYS 79 2HB LYS 79 -4.520 9.898 9.898 549 2HB LYS 79 1HB LYS 79 -4.760 11.485 11.485 550 1HG LYS 79 2HG LYS 79 -3.938 12.607 12.607 551 2HG LYS 79 1HG LYS 79 -3.918 11.115 11.115 552 1HD LYS 79 2HD LYS 79 -1.838 12.212 12.212 553 2HD LYS 79 1HD LYS 79 -1.801 10.754 10.754 554 1HE LYS 79 2HE LYS 79 -2.546 9.389 9.389 555 2HE LYS 79 1HE LYS 79 -3.012 10.802 10.802 556 1HZ LYS 79 2HZ LYS 79 -0.245 10.298 10.298 557 2HZ LYS 79 1HZ LYS 79 -0.789 9.858 9.858 558 3HZ LYS 79 3HZ LYS 79 -0.750 11.493 11.493 559 HA PRO 80 HA PRO 80 -8.900 8.654 8.654 560 1HB PRO 80 2HB PRO 80 -8.068 8.387 8.387 561 2HB PRO 80 1HB PRO 80 -8.989 9.787 9.787 562 1HG PRO 80 2HG PRO 80 -6.125 9.553 9.553 563 2HG PRO 80 1HG PRO 80 -7.188 10.963 10.963 564 1HD PRO 80 2HD PRO 80 -5.311 10.371 10.371 565 2HD PRO 80 1HD PRO 80 -6.580 11.610 11.610 566 H ASN 81 H ASN 81 -5.421 8.174 8.174 567 HA ASN 81 HA ASN 81 -5.892 5.236 5.236 568 1HB ASN 81 2HB ASN 81 -3.532 5.237 5.237 569 2HB ASN 81 1HB ASN 81 -4.582 6.275 6.275 570 1HD2 ASN 81 2HD2 ASN 81 -1.534 8.246 8.246 571 2HD2 ASN 81 1HD2 ASN 81 -1.892 6.842 6.842 572 H SER 82 H SER 82 -5.386 7.372 7.372 573 HA SER 82 HA SER 82 -3.184 6.281 6.281 574 1HB SER 82 2HB SER 82 -5.734 7.232 7.232 575 2HB SER 82 1HB SER 82 -4.085 7.648 7.648 576 HG SER 82 HG SER 82 -4.240 8.569 8.569 577 H ARG 83 H ARG 83 -3.089 4.372 4.372 578 HA ARG 83 HA ARG 83 -5.624 3.107 3.107 579 1HB ARG 83 2HB ARG 83 -3.942 1.108 1.108 580 2HB ARG 83 1HB ARG 83 -5.655 1.394 1.394 581 1HG ARG 83 2HG ARG 83 -3.740 3.296 3.296 582 2HG ARG 83 1HG ARG 83 -3.973 1.724 1.724 583 1HD ARG 83 2HD ARG 83 -5.822 4.037 4.037 584 2HD ARG 83 1HD ARG 83 -5.714 2.719 2.719 585 HE ARG 83 HE ARG 83 -6.896 1.307 1.307 586 1HH1 ARG 83 1HH1 ARG 83 -7.317 2.753 2.753 587 2HH1 ARG 83 2HH1 ARG 83 -8.730 3.716 3.716 588 1HH2 ARG 83 1HH2 ARG 83 -8.627 3.413 3.413 589 2HH2 ARG 83 2HH2 ARG 83 -9.474 4.088 4.088 590 H LEU 84 H LEU 84 -5.149 1.077 1.077 591 HA LEU 84 HA LEU 84 -2.824 1.564 1.564 592 1HB LEU 84 2HB LEU 84 -5.503 0.438 0.438 593 2HB LEU 84 1HB LEU 84 -4.333 -0.689 -0.689 594 HG LEU 84 HG LEU 84 -4.453 2.231 2.231 595 1HD1 LEU 84 1HD1 LEU 84 -6.556 0.871 0.871 596 2HD1 LEU 84 3HD1 LEU 84 -5.598 -0.094 -0.094 597 3HD1 LEU 84 2HD1 LEU 84 -5.845 1.644 1.644 598 1HD2 LEU 84 3HD2 LEU 84 -2.782 -0.080 -0.080 599 2HD2 LEU 84 2HD2 LEU 84 -2.478 1.636 1.636 600 3HD2 LEU 84 1HD2 LEU 84 -3.436 0.719 0.719 601 H SER 85 H SER 85 -1.174 -0.083 -0.083 602 HA SER 85 HA SER 85 -0.243 -1.465 -1.465 603 1HB SER 85 2HB SER 85 -0.073 -2.565 -2.565 604 2HB SER 85 1HB SER 85 1.115 -2.672 -2.672 605 HG SER 85 HG SER 85 1.575 -0.554 -0.554 606 H CYS 86 H CYS 86 -2.832 -2.430 -2.430 607 HA CYS 86 HA CYS 86 -2.960 -5.124 -5.124 608 1HB CYS 86 2HB CYS 86 -4.552 -4.172 -4.172 609 2HB CYS 86 1HB CYS 86 -4.017 -5.800 -5.800 610 H GLN 87 H GLN 87 -3.852 -2.937 -2.937 611 HA GLN 87 HA GLN 87 -6.753 -3.515 -3.515 612 1HB GLN 87 2HB GLN 87 -5.366 -0.941 -0.941 613 2HB GLN 87 1HB GLN 87 -7.102 -1.207 -1.207 614 1HG GLN 87 2HG GLN 87 -5.032 -1.168 -1.168 615 2HG GLN 87 1HG GLN 87 -6.440 -0.124 -0.124 616 1HE2 GLN 87 2HE2 GLN 87 -8.453 -3.327 -3.327 617 2HE2 GLN 87 1HE2 GLN 87 -8.108 -2.465 -2.465 618 H ILE 88 H ILE 88 -3.894 -2.618 -2.618 619 HA ILE 88 HA ILE 88 -5.285 -3.073 -3.073 620 HB ILE 88 HB ILE 88 -2.336 -3.019 -3.019 621 1HG1 ILE 88 2HG1 ILE 88 -3.745 -1.068 -1.068 622 2HG1 ILE 88 1HG1 ILE 88 -2.312 -0.677 -0.677 623 1HG2 ILE 88 3HG2 ILE 88 -4.106 -2.960 -2.960 624 2HG2 ILE 88 2HG2 ILE 88 -2.924 -1.651 -1.651 625 3HG2 ILE 88 1HG2 ILE 88 -2.383 -3.327 -3.327 626 1HD1 ILE 88 1HD1 ILE 88 -4.681 -0.943 -0.943 627 2HD1 ILE 88 3HD1 ILE 88 -4.890 0.287 0.287 628 3HD1 ILE 88 2HD1 ILE 88 -3.533 0.393 0.393 629 H ILE 89 H ILE 89 -5.000 -4.818 -4.818 630 HA ILE 89 HA ILE 89 -3.825 -7.284 -7.284 631 HB ILE 89 HB ILE 89 -6.168 -6.715 -6.715 632 1HG1 ILE 89 2HG1 ILE 89 -6.765 -6.683 -6.683 633 2HG1 ILE 89 1HG1 ILE 89 -7.248 -8.278 -8.278 634 1HG2 ILE 89 1HG2 ILE 89 -4.792 -8.568 -8.568 635 2HG2 ILE 89 3HG2 ILE 89 -4.967 -9.436 -9.436 636 3HG2 ILE 89 2HG2 ILE 89 -6.386 -9.097 -9.097 637 1HD1 ILE 89 2HD1 ILE 89 -4.939 -9.086 -9.086 638 2HD1 ILE 89 1HD1 ILE 89 -4.822 -7.549 -7.549 639 3HD1 ILE 89 3HD1 ILE 89 -6.110 -8.686 -8.686 640 H MET 90 H MET 90 -2.553 -8.613 -8.613 641 HA MET 90 HA MET 90 -1.531 -7.152 -7.152 642 1HB MET 90 2HB MET 90 -0.349 -8.412 -8.412 643 2HB MET 90 1HB MET 90 0.133 -9.323 -9.323 644 1HG MET 90 2HG MET 90 1.624 -7.337 -7.337 645 2HG MET 90 1HG MET 90 1.210 -7.461 -7.461 646 1HE MET 90 1HE MET 90 0.328 -6.227 -6.227 647 2HE MET 90 3HE MET 90 -1.243 -5.474 -5.474 648 3HE MET 90 2HE MET 90 0.206 -4.478 -4.478 649 H THR 91 H THR 91 -2.491 -7.960 -7.960 650 HA THR 91 HA THR 91 -3.140 -10.871 -10.871 651 HB THR 91 HB THR 91 -4.159 -9.750 -9.750 652 HG1 THR 91 1HG THR 91 -4.977 -7.663 -7.663 653 1HG2 THR 91 1HG2 THR 91 -5.333 -9.590 -9.590 654 2HG2 THR 91 3HG2 THR 91 -6.257 -9.462 -9.462 655 3HG2 THR 91 2HG2 THR 91 -5.439 -10.971 -10.971 656 HA PRO 92 HA PRO 92 0.047 -11.692 -11.692 657 1HB PRO 92 2HB PRO 92 -1.180 -13.222 -13.222 658 2HB PRO 92 1HB PRO 92 -0.812 -13.814 -13.814 659 1HG PRO 92 2HG PRO 92 -3.391 -12.889 -12.889 660 2HG PRO 92 1HG PRO 92 -3.065 -14.168 -14.168 661 1HD PRO 92 2HD PRO 92 -4.015 -11.666 -11.666 662 2HD PRO 92 1HD PRO 92 -3.143 -12.732 -12.732 663 H GLU 93 H GLU 93 -2.559 -9.750 -9.750 664 HA GLU 93 HA GLU 93 -1.342 -9.117 -9.117 665 1HB GLU 93 2HB GLU 93 -3.646 -7.983 -7.983 666 2HB GLU 93 1HB GLU 93 -3.624 -9.745 -9.745 667 1HG GLU 93 2HG GLU 93 -4.648 -9.838 -9.838 668 2HG GLU 93 1HG GLU 93 -3.884 -8.353 -8.353 669 H LEU 94 H LEU 94 -2.274 -7.800 -7.800 670 HA LEU 94 HA LEU 94 -1.499 -5.043 -5.043 671 1HB LEU 94 2HB LEU 94 -2.477 -6.058 -6.058 672 2HB LEU 94 1HB LEU 94 -2.582 -4.424 -4.424 673 HG LEU 94 HG LEU 94 -4.130 -6.871 -6.871 674 1HD1 LEU 94 3HD1 LEU 94 -4.849 -4.051 -4.051 675 2HD1 LEU 94 2HD1 LEU 94 -6.021 -5.246 -5.246 676 3HD1 LEU 94 1HD1 LEU 94 -5.113 -5.525 -5.525 677 1HD2 LEU 94 1HD2 LEU 94 -3.105 -5.657 -5.657 678 2HD2 LEU 94 3HD2 LEU 94 -4.869 -5.735 -5.735 679 3HD2 LEU 94 2HD2 LEU 94 -4.049 -4.248 -4.248 680 H ASP 95 H ASP 95 0.672 -6.565 -6.565 681 HA ASP 95 HA ASP 95 2.031 -6.395 -6.395 682 1HB ASP 95 2HB ASP 95 3.809 -7.654 -7.654 683 2HB ASP 95 1HB ASP 95 2.563 -8.502 -8.502 684 H GLY 96 H GLY 96 3.994 -5.360 -5.360 685 1HA GLY 96 2HA GLY 96 5.896 -4.027 -4.027 686 2HA GLY 96 1HA GLY 96 4.908 -3.567 -3.567 687 H ILE 97 H ILE 97 3.389 -3.732 -3.732 688 HA ILE 97 HA ILE 97 2.600 -0.968 -0.968 689 HB ILE 97 HB ILE 97 1.103 -2.729 -2.729 690 1HG1 ILE 97 2HG1 ILE 97 1.095 -0.277 -0.277 691 2HG1 ILE 97 1HG1 ILE 97 0.022 -1.488 -1.488 692 1HG2 ILE 97 1HG2 ILE 97 3.357 -3.352 -3.352 693 2HG2 ILE 97 3HG2 ILE 97 1.838 -3.279 -3.279 694 3HG2 ILE 97 2HG2 ILE 97 1.996 -4.363 -4.363 695 1HD1 ILE 97 3HD1 ILE 97 2.631 -1.520 -1.520 696 2HD1 ILE 97 2HD1 ILE 97 1.884 0.071 0.071 697 3HD1 ILE 97 1HD1 ILE 97 1.032 -1.340 -1.340 698 H VAL 98 H VAL 98 3.721 0.687 0.687 699 HA VAL 98 HA VAL 98 5.886 0.528 0.528 700 HB VAL 98 HB VAL 98 4.597 2.941 2.941 701 1HG1 VAL 98 1HG1 VAL 98 7.428 2.349 2.349 702 2HG1 VAL 98 3HG1 VAL 98 6.900 3.849 3.849 703 3HG1 VAL 98 2HG1 VAL 98 6.265 3.393 3.393 704 1HG2 VAL 98 2HG2 VAL 98 6.621 0.975 0.975 705 2HG2 VAL 98 1HG2 VAL 98 5.048 1.393 1.393 706 3HG2 VAL 98 3HG2 VAL 98 6.352 2.580 2.580 707 H VAL 99 H VAL 99 5.451 0.814 0.814 708 HA VAL 99 HA VAL 99 2.823 2.054 2.054 709 HB VAL 99 HB VAL 99 4.723 0.795 0.795 710 1HG1 VAL 99 3HG1 VAL 99 1.814 1.336 1.336 711 2HG1 VAL 99 2HG1 VAL 99 2.267 -0.158 -0.158 712 3HG1 VAL 99 1HG1 VAL 99 2.865 1.397 1.397 713 1HG2 VAL 99 3HG2 VAL 99 3.504 -0.502 -0.502 714 2HG2 VAL 99 2HG2 VAL 99 4.818 -1.033 -1.033 715 3HG2 VAL 99 1HG2 VAL 99 3.143 -1.279 -1.279 716 H ASP 100 H ASP 100 3.115 3.098 3.098 717 HA ASP 100 HA ASP 100 5.644 4.434 4.434 718 1HB ASP 100 2HB ASP 100 3.294 5.804 5.804 719 2HB ASP 100 1HB ASP 100 4.397 6.733 6.733 720 H VAL 101 H VAL 101 5.790 5.256 5.256 721 HA VAL 101 HA VAL 101 3.451 4.709 4.709 722 HB VAL 101 HB VAL 101 6.373 5.369 5.369 723 1HG1 VAL 101 2HG1 VAL 101 4.571 6.248 6.248 724 2HG1 VAL 101 1HG1 VAL 101 4.573 4.560 4.560 725 3HG1 VAL 101 3HG1 VAL 101 6.067 5.497 5.497 726 1HG2 VAL 101 2HG2 VAL 101 5.465 3.027 3.027 727 2HG2 VAL 101 1HG2 VAL 101 6.605 3.102 3.102 728 3HG2 VAL 101 3HG2 VAL 101 4.878 2.914 2.914 729 HA PRO 102 HA PRO 102 2.247 8.892 8.892 730 1HB PRO 102 2HB PRO 102 1.233 9.181 9.181 731 2HB PRO 102 1HB PRO 102 0.398 8.322 8.322 732 1HG PRO 102 2HG PRO 102 2.052 7.221 7.221 733 2HG PRO 102 1HG PRO 102 0.513 6.650 6.650 734 1HD PRO 102 2HD PRO 102 2.836 5.475 5.475 735 2HD PRO 102 1HD PRO 102 1.498 5.614 5.614 736 H ASP 103 H ASP 103 3.520 10.677 10.677 737 HA ASP 103 HA ASP 103 5.413 10.938 10.938 738 1HB ASP 103 2HB ASP 103 6.731 12.283 12.283 739 2HB ASP 103 1HB ASP 103 6.347 10.731 10.731 740 H ARG 104 H ARG 104 3.469 11.862 11.862 741 HA ARG 104 HA ARG 104 2.270 14.330 14.330 742 1HB ARG 104 2HB ARG 104 2.369 13.616 13.616 743 2HB ARG 104 1HB ARG 104 1.025 14.226 14.226 744 1HG ARG 104 2HG ARG 104 0.268 12.112 12.112 745 2HG ARG 104 1HG ARG 104 1.625 11.756 11.756 746 1HD ARG 104 2HD ARG 104 1.358 11.254 11.254 747 2HD ARG 104 1HD ARG 104 1.946 10.165 10.165 748 HE ARG 104 HE ARG 104 3.692 12.401 12.401 749 1HH1 ARG 104 1HH1 ARG 104 3.338 9.242 9.242 750 2HH1 ARG 104 2HH1 ARG 104 4.550 9.331 9.331 751 1HH2 ARG 104 1HH2 ARG 104 4.984 12.757 12.757 752 2HH2 ARG 104 2HH2 ARG 104 5.481 11.322 11.322 753 H GLN 105 H GLN 105 4.125 14.081 14.081 754 HA GLN 105 HA GLN 105 5.244 16.777 16.777 755 1HB GLN 105 2HB GLN 105 5.202 15.081 15.081 756 2HB GLN 105 1HB GLN 105 5.672 16.779 16.779 757 1HG GLN 105 2HG GLN 105 3.066 16.326 16.326 758 2HG GLN 105 1HG GLN 105 3.094 15.801 15.801 759 1HE2 GLN 105 2HE2 GLN 105 2.338 19.494 19.494 760 2HE2 GLN 105 1HE2 GLN 105 1.618 18.129 18.129 761 H TRP 106 H TRP 106 7.154 16.562 16.562 762 HA TRP 106 HA TRP 106 9.267 14.819 14.819 763 1HB TRP 106 2HB TRP 106 7.976 13.791 13.791 764 2HB TRP 106 1HB TRP 106 8.730 15.032 15.032 765 HD1 TRP 106 HD TRP 106 10.697 14.006 14.006 766 HE1 TRP 106 1HE TRP 106 12.638 12.423 12.423 767 HE3 TRP 106 3HE TRP 106 9.458 12.923 12.923 768 HZ2 TRP 106 2HZ TRP 106 13.543 10.897 10.897 769 HZ3 TRP 106 3HZ TRP 106 10.875 11.403 11.403 770 HH2 TRP 106 HH TRP 106 12.915 10.390 10.390 Start of MODEL 3 1 1H SER 1 1HT SER 1 2.745 -10.891 -10.891 2 2H SER 1 3HT SER 1 1.814 -11.241 -11.241 3 3H SER 1 2HT SER 1 3.478 -11.587 -11.587 4 HA SER 1 HA SER 1 3.171 -9.601 -9.601 5 1HB SER 1 2HB SER 1 2.079 -7.945 -7.945 6 2HB SER 1 1HB SER 1 1.412 -8.266 -8.266 7 HG SER 1 HG SER 1 0.239 -9.877 -9.877 8 H LYS 2 H LYS 2 4.741 -7.916 -7.916 9 HA LYS 2 HA LYS 2 6.760 -8.248 -8.248 10 1HB LYS 2 2HB LYS 2 6.942 -7.741 -7.741 11 2HB LYS 2 1HB LYS 2 6.692 -6.069 -6.069 12 1HG LYS 2 2HG LYS 2 8.703 -5.969 -5.969 13 2HG LYS 2 1HG LYS 2 8.731 -7.706 -7.706 14 1HD LYS 2 2HD LYS 2 10.438 -7.027 -7.027 15 2HD LYS 2 1HD LYS 2 9.253 -8.145 -8.145 16 1HE LYS 2 2HE LYS 2 9.130 -6.561 -6.561 17 2HE LYS 2 1HE LYS 2 8.040 -5.750 -5.750 18 1HZ LYS 2 3HZ LYS 2 10.953 -5.420 -5.420 19 2HZ LYS 2 2HZ LYS 2 10.113 -4.488 -4.488 20 3HZ LYS 2 1HZ LYS 2 9.709 -4.384 -4.384 21 H VAL 3 H VAL 3 6.436 -7.209 -7.209 22 HA VAL 3 HA VAL 3 4.985 -4.592 -4.592 23 HB VAL 3 HB VAL 3 5.224 -6.847 -6.847 24 1HG1 VAL 3 2HG1 VAL 3 5.100 -3.969 -3.969 25 2HG1 VAL 3 1HG1 VAL 3 3.822 -4.932 -4.932 26 3HG1 VAL 3 3HG1 VAL 3 5.513 -5.336 -5.336 27 1HG2 VAL 3 2HG2 VAL 3 3.329 -6.077 -6.077 28 2HG2 VAL 3 1HG2 VAL 3 2.980 -7.019 -7.019 29 3HG2 VAL 3 3HG2 VAL 3 2.753 -5.270 -5.270 30 H VAL 4 H VAL 4 5.953 -2.778 -2.778 31 HA VAL 4 HA VAL 4 8.603 -3.045 -3.045 32 HB VAL 4 HB VAL 4 7.809 -1.547 -1.547 33 1HG1 VAL 4 1HG1 VAL 4 9.820 -0.686 -0.686 34 2HG1 VAL 4 3HG1 VAL 4 10.082 -0.316 -0.316 35 3HG1 VAL 4 2HG1 VAL 4 8.651 0.299 0.299 36 1HG2 VAL 4 3HG2 VAL 4 9.647 -3.651 -3.651 37 2HG2 VAL 4 2HG2 VAL 4 9.144 -3.150 -3.150 38 3HG2 VAL 4 1HG2 VAL 4 10.495 -2.341 -2.341 39 H TYR 5 H TYR 5 8.653 -1.876 -1.876 40 HA TYR 5 HA TYR 5 6.443 0.047 0.047 41 1HB TYR 5 2HB TYR 5 8.386 -1.457 -1.457 42 2HB TYR 5 1HB TYR 5 7.129 -0.382 -0.382 43 HD1 TYR 5 2HD TYR 5 4.768 -0.764 -0.764 44 HD2 TYR 5 1HD TYR 5 7.852 -3.749 -3.749 45 HE1 TYR 5 2HE TYR 5 3.068 -2.517 -2.517 46 HE2 TYR 5 1HE TYR 5 6.155 -5.484 -5.484 47 HH TYR 5 HH TYR 5 3.920 -5.831 -5.831 48 H VAL 6 H VAL 6 6.820 2.098 2.098 49 HA VAL 6 HA VAL 6 9.716 2.973 2.973 50 HB VAL 6 HB VAL 6 7.331 4.687 4.687 51 1HG1 VAL 6 1HG1 VAL 6 9.917 5.374 5.374 52 2HG1 VAL 6 3HG1 VAL 6 10.014 5.113 5.113 53 3HG1 VAL 6 2HG1 VAL 6 8.873 6.289 6.289 54 1HG2 VAL 6 3HG2 VAL 6 7.578 2.623 2.623 55 2HG2 VAL 6 2HG2 VAL 6 7.706 4.152 4.152 56 3HG2 VAL 6 1HG2 VAL 6 9.161 3.232 3.232 57 H SER 7 H SER 7 10.391 4.003 4.003 58 HA SER 7 HA SER 7 8.509 4.258 4.258 59 1HB SER 7 2HB SER 7 10.592 5.048 5.048 60 2HB SER 7 1HB SER 7 10.824 3.514 3.514 61 HG SER 7 HG SER 7 11.319 5.415 5.415 62 H HIS 8 H HIS 8 9.741 6.710 6.710 63 HA HIS 8 HA HIS 8 8.433 8.674 8.674 64 1HB HIS 8 2HB HIS 8 8.603 9.941 9.941 65 2HB HIS 8 1HB HIS 8 7.217 8.996 8.996 66 HD1 HIS 8 1HD HIS 8 6.649 7.061 7.061 67 HD2 HIS 8 2HD HIS 8 10.517 8.339 8.339 68 HE1 HIS 8 1HE HIS 8 7.481 5.632 5.632 69 H ASP 9 H ASP 9 11.388 7.599 7.599 70 HA ASP 9 HA ASP 9 12.737 10.229 10.229 71 1HB ASP 9 2HB ASP 9 14.527 9.230 9.230 72 2HB ASP 9 1HB ASP 9 13.052 8.690 8.690 73 H GLY 10 H GLY 10 11.761 7.716 7.716 74 1HA GLY 10 2HA GLY 10 12.465 7.736 7.736 75 2HA GLY 10 1HA GLY 10 14.113 8.006 8.006 76 H THR 11 H THR 11 14.142 6.007 6.007 77 HA THR 11 HA THR 11 15.026 3.744 3.744 78 HB THR 11 HB THR 11 14.688 4.637 4.637 79 HG1 THR 11 1HG THR 11 16.485 3.592 3.592 80 1HG2 THR 11 1HG2 THR 11 12.491 3.229 3.229 81 2HG2 THR 11 3HG2 THR 11 13.578 1.845 1.845 82 3HG2 THR 11 2HG2 THR 11 13.540 3.029 3.029 83 H ARG 12 H ARG 12 14.075 1.990 1.990 84 HA ARG 12 HA ARG 12 11.093 1.722 1.722 85 1HB ARG 12 2HB ARG 12 12.767 1.183 1.183 86 2HB ARG 12 1HB ARG 12 11.015 1.364 1.364 87 1HG ARG 12 2HG ARG 12 11.387 3.731 3.731 88 2HG ARG 12 1HG ARG 12 13.100 3.516 3.516 89 1HD ARG 12 2HD ARG 12 12.584 3.063 3.063 90 2HD ARG 12 1HD ARG 12 10.847 3.200 3.200 91 HE ARG 12 HE ARG 12 12.495 5.507 5.507 92 1HH1 ARG 12 1HH2 ARG 12 9.605 4.530 4.530 93 2HH1 ARG 12 2HH2 ARG 12 9.505 5.785 5.785 94 1HH2 ARG 12 1HH1 ARG 12 12.734 6.924 6.924 95 2HH2 ARG 12 2HH1 ARG 12 11.276 7.141 7.141 96 H ARG 13 H ARG 13 10.326 -0.512 -0.512 97 HA ARG 13 HA ARG 13 12.378 -2.649 -2.649 98 1HB ARG 13 2HB ARG 13 10.732 -1.926 -1.926 99 2HB ARG 13 1HB ARG 13 9.507 -2.747 -2.747 100 1HG ARG 13 2HG ARG 13 10.175 -4.740 -4.740 101 2HG ARG 13 1HG ARG 13 11.814 -4.437 -4.437 102 1HD ARG 13 2HD ARG 13 11.501 -4.841 -4.841 103 2HD ARG 13 1HD ARG 13 12.474 -3.438 -3.438 104 HE ARG 13 HE ARG 13 9.577 -3.256 -3.256 105 1HH1 ARG 13 1HH2 ARG 13 12.678 -2.418 -2.418 106 2HH1 ARG 13 2HH2 ARG 13 12.351 -0.733 -0.733 107 1HH2 ARG 13 1HH1 ARG 13 9.177 -0.890 -0.890 108 2HH2 ARG 13 2HH1 ARG 13 10.369 0.133 0.133 109 H GLU 14 H GLU 14 11.682 -4.789 -4.789 110 HA GLU 14 HA GLU 14 9.652 -4.445 -4.445 111 1HB GLU 14 2HB GLU 14 12.354 -5.833 -5.833 112 2HB GLU 14 1HB GLU 14 11.209 -5.671 -5.671 113 1HG GLU 14 2HG GLU 14 12.186 -3.709 -3.709 114 2HG GLU 14 1HG GLU 14 11.559 -3.066 -3.066 115 H LEU 15 H LEU 15 8.280 -6.200 -6.200 116 HA LEU 15 HA LEU 15 8.846 -8.664 -8.664 117 1HB LEU 15 2HB LEU 15 6.379 -6.969 -6.969 118 2HB LEU 15 1HB LEU 15 6.232 -8.670 -8.670 119 HG LEU 15 HG LEU 15 7.636 -6.496 -6.496 120 1HD1 LEU 15 3HD1 LEU 15 5.078 -7.100 -7.100 121 2HD1 LEU 15 2HD1 LEU 15 5.680 -8.528 -8.528 122 3HD1 LEU 15 1HD1 LEU 15 6.034 -6.927 -6.927 123 1HD2 LEU 15 1HD2 LEU 15 8.949 -8.632 -8.632 124 2HD2 LEU 15 3HD2 LEU 15 8.320 -8.145 -8.145 125 3HD2 LEU 15 2HD2 LEU 15 7.502 -9.430 -9.430 126 H ASP 16 H ASP 16 8.305 -10.587 -10.587 127 HA ASP 16 HA ASP 16 7.423 -10.476 -10.476 128 1HB ASP 16 2HB ASP 16 8.645 -12.813 -12.813 129 2HB ASP 16 1HB ASP 16 8.612 -12.555 -12.555 130 H VAL 17 H VAL 17 5.209 -10.175 -10.175 131 HA VAL 17 HA VAL 17 4.041 -12.320 -12.320 132 HB VAL 17 HB VAL 17 3.278 -9.572 -9.572 133 1HG1 VAL 17 1HG1 VAL 17 1.506 -11.546 -11.546 134 2HG1 VAL 17 3HG1 VAL 17 1.129 -9.845 -9.845 135 3HG1 VAL 17 2HG1 VAL 17 1.254 -10.951 -10.951 136 1HG2 VAL 17 1HG2 VAL 17 4.121 -10.886 -10.886 137 2HG2 VAL 17 3HG2 VAL 17 4.418 -9.243 -9.243 138 3HG2 VAL 17 2HG2 VAL 17 2.864 -9.658 -9.658 139 H ALA 18 H ALA 18 1.756 -12.989 -12.989 140 HA ALA 18 HA ALA 18 1.696 -13.503 -13.503 141 1HB ALA 18 1HB ALA 18 0.920 -15.260 -15.260 142 2HB ALA 18 3HB ALA 18 0.694 -15.697 -15.697 143 3HB ALA 18 2HB ALA 18 2.321 -15.474 -15.474 144 H ASP 19 H ASP 19 -0.782 -14.822 -14.822 145 HA ASP 19 HA ASP 19 -2.629 -12.556 -12.556 146 1HB ASP 19 2HB ASP 19 -3.779 -13.804 -13.804 147 2HB ASP 19 1HB ASP 19 -2.175 -14.518 -14.518 148 H GLY 20 H GLY 20 -3.934 -12.236 -12.236 149 1HA GLY 20 2HA GLY 20 -5.681 -13.128 -13.128 150 2HA GLY 20 1HA GLY 20 -4.677 -14.566 -14.566 151 H VAL 21 H VAL 21 -2.485 -12.185 -12.185 152 HA VAL 21 HA VAL 21 -2.414 -11.978 -11.978 153 HB VAL 21 HB VAL 21 -0.456 -11.886 -11.886 154 1HG1 VAL 21 2HG1 VAL 21 -0.112 -10.648 -10.648 155 2HG1 VAL 21 1HG1 VAL 21 1.265 -11.138 -11.138 156 3HG1 VAL 21 3HG1 VAL 21 0.157 -9.898 -9.898 157 1HG2 VAL 21 2HG2 VAL 21 -1.088 -13.645 -13.645 158 2HG2 VAL 21 1HG2 VAL 21 0.066 -13.905 -13.905 159 3HG2 VAL 21 3HG2 VAL 21 0.582 -13.083 -13.083 160 H SER 22 H SER 22 -1.435 -9.906 -9.906 161 HA SER 22 HA SER 22 -2.508 -7.502 -7.502 162 1HB SER 22 2HB SER 22 -2.062 -7.079 -7.079 163 2HB SER 22 1HB SER 22 -3.595 -7.091 -7.091 164 HG SER 22 HG SER 22 -2.256 -9.170 -9.170 165 H LEU 23 H LEU 23 -1.140 -5.524 -5.524 166 HA LEU 23 HA LEU 23 1.649 -6.087 -6.087 167 1HB LEU 23 2HB LEU 23 0.374 -3.553 -3.553 168 2HB LEU 23 1HB LEU 23 1.962 -3.702 -3.702 169 HG LEU 23 HG LEU 23 -0.687 -4.029 -4.029 170 1HD1 LEU 23 3HD1 LEU 23 0.521 -1.759 -1.759 171 2HD1 LEU 23 2HD1 LEU 23 1.686 -2.371 -2.371 172 3HD1 LEU 23 1HD1 LEU 23 -0.007 -2.174 -2.174 173 1HD2 LEU 23 1HD2 LEU 23 1.983 -5.161 -5.161 174 2HD2 LEU 23 3HD2 LEU 23 0.385 -5.713 -5.713 175 3HD2 LEU 23 2HD2 LEU 23 1.160 -4.367 -4.367 176 H MET 24 H MET 24 -0.236 -6.171 -6.171 177 HA MET 24 HA MET 24 2.062 -5.619 -5.619 178 1HB MET 24 2HB MET 24 -0.633 -5.246 -5.246 179 2HB MET 24 1HB MET 24 -0.400 -6.695 -6.695 180 1HG MET 24 2HG MET 24 1.488 -5.496 -5.496 181 2HG MET 24 1HG MET 24 0.992 -4.036 -4.036 182 1HE MET 24 1HE MET 24 -0.306 -7.038 -7.038 183 2HE MET 24 3HE MET 24 0.811 -6.064 -6.064 184 3HE MET 24 2HE MET 24 -0.881 -6.219 -6.219 185 H GLN 25 H GLN 25 -0.277 -8.281 -8.281 186 HA GLN 25 HA GLN 25 0.956 -10.133 -10.133 187 1HB GLN 25 2HB GLN 25 -0.854 -11.234 -11.234 188 2HB GLN 25 1HB GLN 25 -0.979 -10.012 -10.012 189 1HG GLN 25 2HG GLN 25 0.783 -12.461 -12.461 190 2HG GLN 25 1HG GLN 25 -0.800 -12.295 -12.295 191 1HE2 GLN 25 2HE2 GLN 25 0.801 -9.276 -9.276 192 2HE2 GLN 25 1HE2 GLN 25 -0.256 -9.304 -9.304 193 H ALA 26 H ALA 26 2.201 -9.140 -9.140 194 HA ALA 26 HA ALA 26 4.169 -11.377 -11.377 195 1HB ALA 26 2HB ALA 26 3.463 -9.102 -9.102 196 2HB ALA 26 1HB ALA 26 4.929 -10.074 -10.074 197 3HB ALA 26 3HB ALA 26 3.318 -10.842 -10.842 198 H ALA 27 H ALA 27 3.805 -7.944 -7.944 199 HA ALA 27 HA ALA 27 6.616 -7.284 -7.284 200 1HB ALA 27 1HB ALA 27 3.911 -6.014 -6.014 201 2HB ALA 27 3HB ALA 27 5.316 -5.147 -5.147 202 3HB ALA 27 2HB ALA 27 5.210 -5.594 -5.594 203 H VAL 28 H VAL 28 3.849 -7.811 -7.811 204 HA VAL 28 HA VAL 28 5.126 -7.155 -7.155 205 HB VAL 28 HB VAL 28 3.138 -9.363 -9.363 206 1HG1 VAL 28 2HG1 VAL 28 4.443 -8.880 -8.880 207 2HG1 VAL 28 1HG1 VAL 28 2.937 -7.980 -7.980 208 3HG1 VAL 28 3HG1 VAL 28 2.895 -9.707 -9.707 209 1HG2 VAL 28 3HG2 VAL 28 2.597 -6.972 -6.972 210 2HG2 VAL 28 2HG2 VAL 28 1.420 -7.749 -7.749 211 3HG2 VAL 28 1HG2 VAL 28 2.557 -6.551 -6.551 212 H SER 29 H SER 29 4.737 -10.416 -10.416 213 HA SER 29 HA SER 29 6.541 -11.846 -11.846 214 1HB SER 29 2HB SER 29 6.825 -12.591 -12.591 215 2HB SER 29 1HB SER 29 5.868 -13.397 -13.397 216 HG SER 29 HG SER 29 4.910 -12.276 -12.276 217 H ASN 30 H ASN 30 7.051 -9.850 -9.850 218 HA ASN 30 HA ASN 30 9.893 -10.285 -10.285 219 1HB ASN 30 2HB ASN 30 7.680 -8.723 -8.723 220 2HB ASN 30 1HB ASN 30 9.198 -7.845 -7.845 221 1HD2 ASN 30 2HD2 ASN 30 8.599 -11.007 -11.007 222 2HD2 ASN 30 1HD2 ASN 30 7.415 -10.505 -10.505 223 H GLY 31 H GLY 31 8.185 -8.896 -8.896 224 1HA GLY 31 2HA GLY 31 9.056 -7.728 -7.728 225 2HA GLY 31 1HA GLY 31 10.535 -7.418 -7.418 226 H ILE 32 H ILE 32 8.552 -6.478 -6.478 227 HA ILE 32 HA ILE 32 8.868 -3.730 -3.730 228 HB ILE 32 HB ILE 32 6.380 -5.231 -5.231 229 1HG1 ILE 32 2HG1 ILE 32 9.174 -5.216 -5.216 230 2HG1 ILE 32 1HG1 ILE 32 7.918 -6.426 -6.426 231 1HG2 ILE 32 3HG2 ILE 32 7.635 -2.625 -2.625 232 2HG2 ILE 32 2HG2 ILE 32 6.315 -3.436 -3.436 233 3HG2 ILE 32 1HG2 ILE 32 6.067 -2.822 -2.822 234 1HD1 ILE 32 1HD1 ILE 32 6.855 -4.813 -4.813 235 2HD1 ILE 32 3HD1 ILE 32 8.352 -3.891 -3.891 236 3HD1 ILE 32 2HD1 ILE 32 8.373 -5.554 -5.554 237 H TYR 33 H TYR 33 6.330 -5.669 -5.669 238 HA TYR 33 HA TYR 33 6.177 -3.813 -3.813 239 1HB TYR 33 2HB TYR 33 3.465 -3.961 -3.961 240 2HB TYR 33 1HB TYR 33 4.476 -2.518 -2.518 241 HD1 TYR 33 2HD TYR 33 4.083 -5.730 -5.730 242 HD2 TYR 33 1HD TYR 33 3.945 -1.461 -1.461 243 HE1 TYR 33 2HE TYR 33 3.489 -5.904 -5.904 244 HE2 TYR 33 1HE TYR 33 3.329 -1.606 -1.606 245 HH TYR 33 HH TYR 33 3.859 -3.833 -3.833 246 H ASP 34 H ASP 34 6.458 -5.567 -5.567 247 HA ASP 34 HA ASP 34 5.023 -8.078 -8.078 248 1HB ASP 34 2HB ASP 34 5.911 -8.395 -8.395 249 2HB ASP 34 1HB ASP 34 7.158 -7.896 -7.896 250 H ILE 35 H ILE 35 3.120 -6.218 -6.218 251 HA ILE 35 HA ILE 35 1.705 -5.808 -5.808 252 HB ILE 35 HB ILE 35 2.261 -3.843 -3.843 253 1HG1 ILE 35 2HG1 ILE 35 -0.659 -4.009 -4.009 254 2HG1 ILE 35 1HG1 ILE 35 -0.126 -4.389 -4.389 255 1HG2 ILE 35 3HG2 ILE 35 1.944 -5.352 -5.352 256 2HG2 ILE 35 2HG2 ILE 35 0.306 -4.713 -4.713 257 3HG2 ILE 35 1HG2 ILE 35 1.672 -3.611 -3.611 258 1HD1 ILE 35 3HD1 ILE 35 1.150 -2.019 -2.019 259 2HD1 ILE 35 2HD1 ILE 35 -0.568 -1.855 -1.855 260 3HD1 ILE 35 1HD1 ILE 35 0.573 -2.254 -2.254 261 H VAL 36 H VAL 36 0.838 -8.007 -8.007 262 HA VAL 36 HA VAL 36 -1.283 -8.528 -8.528 263 HB VAL 36 HB VAL 36 -0.855 -10.952 -10.952 264 1HG1 VAL 36 3HG1 VAL 36 0.096 -9.521 -9.521 265 2HG1 VAL 36 2HG1 VAL 36 1.614 -9.959 -9.959 266 3HG1 VAL 36 1HG1 VAL 36 0.493 -11.219 -11.219 267 1HG2 VAL 36 1HG2 VAL 36 0.609 -9.845 -9.845 268 2HG2 VAL 36 3HG2 VAL 36 1.032 -11.418 -11.418 269 3HG2 VAL 36 2HG2 VAL 36 1.878 -9.968 -9.968 270 H GLY 37 H GLY 37 -1.543 -6.992 -6.992 271 1HA GLY 37 2HA GLY 37 -3.351 -8.835 -8.835 272 2HA GLY 37 1HA GLY 37 -2.546 -7.442 -7.442 273 H ASP 38 H ASP 38 -3.057 -5.438 -5.438 274 HA ASP 38 HA ASP 38 -5.884 -4.879 -4.879 275 1HB ASP 38 2HB ASP 38 -3.453 -3.498 -3.498 276 2HB ASP 38 1HB ASP 38 -4.588 -3.024 -3.024 277 H CYS 39 H CYS 39 -3.858 -5.466 -5.466 278 HA CYS 39 HA CYS 39 -6.293 -5.627 -5.627 279 1HB CYS 39 2HB CYS 39 -4.484 -5.292 -5.292 280 2HB CYS 39 1HB CYS 39 -4.856 -3.945 -3.945 281 H GLY 40 H GLY 40 -3.108 -7.214 -7.214 282 1HA GLY 40 2HA GLY 40 -2.414 -9.381 -9.381 283 2HA GLY 40 1HA GLY 40 -3.968 -9.852 -9.852 284 H GLY 41 H GLY 41 -3.518 -7.776 -7.776 285 1HA GLY 41 2HA GLY 41 -3.958 -8.205 -8.205 286 2HA GLY 41 1HA GLY 41 -4.188 -9.910 -9.910 287 H SER 42 H SER 42 -5.857 -7.391 -7.391 288 HA SER 42 HA SER 42 -8.390 -8.199 -8.199 289 1HB SER 42 2HB SER 42 -8.056 -7.470 -7.470 290 2HB SER 42 1HB SER 42 -9.447 -8.241 -8.241 291 HG SER 42 HG SER 42 -8.484 -10.064 -10.064 292 H ALA 43 H ALA 43 -6.358 -5.640 -5.640 293 HA ALA 43 HA ALA 43 -6.540 -3.344 -3.344 294 1HB ALA 43 2HB ALA 43 -8.203 -4.558 -4.558 295 2HB ALA 43 1HB ALA 43 -9.374 -3.614 -3.614 296 3HB ALA 43 3HB ALA 43 -8.041 -2.805 -2.805 297 H SER 44 H SER 44 -6.809 -3.895 -3.895 298 HA SER 44 HA SER 44 -8.952 -2.012 -2.012 299 1HB SER 44 2HB SER 44 -9.898 -3.899 -3.899 300 2HB SER 44 1HB SER 44 -8.418 -4.832 -4.832 301 HG SER 44 HG SER 44 -8.678 -4.545 -4.545 302 H CYS 45 H CYS 45 -6.233 -1.574 -1.574 303 HA CYS 45 HA CYS 45 -4.860 -1.223 -1.223 304 1HB CYS 45 2HB CYS 45 -2.817 -0.989 -0.989 305 2HB CYS 45 1HB CYS 45 -3.497 -2.568 -2.568 306 H ALA 46 H ALA 46 -3.568 0.666 0.666 307 HA ALA 46 HA ALA 46 -4.635 3.099 3.099 308 1HB ALA 46 2HB ALA 46 -5.162 2.782 2.782 309 2HB ALA 46 1HB ALA 46 -3.436 2.715 2.715 310 3HB ALA 46 3HB ALA 46 -4.152 4.204 4.204 311 H THR 47 H THR 47 -1.795 1.210 1.210 312 HA THR 47 HA THR 47 -0.040 3.576 3.576 313 HB THR 47 HB THR 47 0.232 2.035 2.035 314 HG1 THR 47 1HG THR 47 2.204 2.705 2.705 315 1HG2 THR 47 2HG2 THR 47 -0.216 -0.040 -0.040 316 2HG2 THR 47 1HG2 THR 47 1.411 0.158 0.158 317 3HG2 THR 47 3HG2 THR 47 1.180 -0.136 -0.136 318 H CYS 48 H CYS 48 -1.168 0.620 0.620 319 HA CYS 48 HA CYS 48 1.134 0.498 0.498 320 1HB CYS 48 2HB CYS 48 -1.452 -0.842 -0.842 321 2HB CYS 48 1HB CYS 48 0.177 -1.414 -1.414 322 H HIS 49 H HIS 49 -0.747 3.002 3.002 323 HA HIS 49 HA HIS 49 -2.229 3.316 3.316 324 1HB HIS 49 2HB HIS 49 -1.769 4.959 4.959 325 2HB HIS 49 1HB HIS 49 -0.232 5.312 5.312 326 HD1 HIS 49 1HD HIS 49 -2.740 7.307 7.307 327 HD2 HIS 49 2HD HIS 49 -1.638 5.346 5.346 328 HE1 HIS 49 1HE HIS 49 -3.663 8.678 8.678 329 H VAL 50 H VAL 50 -1.569 3.527 3.527 330 HA VAL 50 HA VAL 50 1.353 3.694 3.694 331 HB VAL 50 HB VAL 50 1.051 1.798 1.798 332 1HG1 VAL 50 3HG1 VAL 50 0.953 1.565 1.565 333 2HG1 VAL 50 2HG1 VAL 50 0.742 0.088 0.088 334 3HG1 VAL 50 1HG1 VAL 50 2.204 1.055 1.055 335 1HG2 VAL 50 3HG2 VAL 50 -1.478 2.080 2.080 336 2HG2 VAL 50 2HG2 VAL 50 -0.884 0.421 0.421 337 3HG2 VAL 50 1HG2 VAL 50 -1.451 1.235 1.235 338 H TYR 51 H TYR 51 1.818 4.322 4.322 339 HA TYR 51 HA TYR 51 -0.469 5.580 5.580 340 1HB TYR 51 2HB TYR 51 2.266 6.437 6.437 341 2HB TYR 51 1HB TYR 51 1.606 7.109 7.109 342 HD1 TYR 51 1HD TYR 51 -1.261 6.425 6.425 343 HD2 TYR 51 2HD TYR 51 2.140 9.094 9.094 344 HE1 TYR 51 1HE TYR 51 -2.616 8.122 8.122 345 HE2 TYR 51 2HE TYR 51 0.760 10.773 10.773 346 HH TYR 51 HH TYR 51 -1.716 10.300 10.300 347 H VAL 52 H VAL 52 -0.806 4.579 4.579 348 HA VAL 52 HA VAL 52 1.400 3.009 3.009 349 HB VAL 52 HB VAL 52 -1.567 3.135 3.135 350 1HG1 VAL 52 2HG1 VAL 52 0.521 1.915 1.915 351 2HG1 VAL 52 1HG1 VAL 52 -0.152 0.612 0.612 352 3HG1 VAL 52 3HG1 VAL 52 -1.190 1.501 1.501 353 1HG2 VAL 52 2HG2 VAL 52 -0.239 2.171 2.171 354 2HG2 VAL 52 1HG2 VAL 52 -1.939 1.987 1.987 355 3HG2 VAL 52 3HG2 VAL 52 -0.768 0.764 0.764 356 H ASN 53 H ASN 53 1.935 3.336 3.336 357 HA ASN 53 HA ASN 53 1.600 6.076 6.076 358 1HB ASN 53 2HB ASN 53 2.770 5.123 5.123 359 2HB ASN 53 1HB ASN 53 3.634 4.852 4.852 360 1HD2 ASN 53 2HD2 ASN 53 1.790 1.396 1.396 361 2HD2 ASN 53 1HD2 ASN 53 0.992 2.742 2.742 362 H GLU 54 H GLU 54 -0.031 6.825 6.825 363 HA GLU 54 HA GLU 54 -2.492 5.753 5.753 364 1HB GLU 54 2HB GLU 54 -2.513 7.156 7.156 365 2HB GLU 54 1HB GLU 54 -1.883 7.987 7.987 366 1HG GLU 54 2HG GLU 54 -0.064 8.458 8.458 367 2HG GLU 54 1HG GLU 54 0.365 6.757 6.757 368 H ALA 55 H ALA 55 0.410 4.771 4.771 369 HA ALA 55 HA ALA 55 -0.817 3.446 3.446 370 1HB ALA 55 1HB ALA 55 1.762 3.174 3.174 371 2HB ALA 55 3HB ALA 55 1.410 2.105 2.105 372 3HB ALA 55 2HB ALA 55 1.506 3.848 3.848 373 H PHE 56 H PHE 56 -0.661 2.533 2.533 374 HA PHE 56 HA PHE 56 -1.785 -0.150 -0.150 375 1HB PHE 56 2HB PHE 56 0.167 0.654 0.654 376 2HB PHE 56 1HB PHE 56 -0.554 -0.950 -0.950 377 HD1 PHE 56 1HD PHE 56 1.413 1.552 1.552 378 HD2 PHE 56 2HD PHE 56 0.440 -2.643 -2.643 379 HE1 PHE 56 1HE PHE 56 3.076 0.960 0.960 380 HE2 PHE 56 2HE PHE 56 2.095 -3.170 -3.170 381 HZ PHE 56 HZ PHE 56 3.419 -1.405 -1.405 382 H THR 57 H THR 57 -2.241 2.775 2.775 383 HA THR 57 HA THR 57 -4.012 1.658 1.658 384 HB THR 57 HB THR 57 -3.957 3.784 3.784 385 HG1 THR 57 1HG THR 57 -5.265 4.849 4.849 386 1HG2 THR 57 1HG2 THR 57 -1.576 3.302 3.302 387 2HG2 THR 57 3HG2 THR 57 -1.937 4.420 4.420 388 3HG2 THR 57 2HG2 THR 57 -1.968 4.987 4.987 389 H ASP 58 H ASP 58 -4.241 2.629 2.629 390 HA ASP 58 HA ASP 58 -7.147 3.154 3.154 391 1HB ASP 58 2HB ASP 58 -6.797 3.819 3.819 392 2HB ASP 58 1HB ASP 58 -5.352 4.341 4.341 393 H LYS 59 H LYS 59 -4.909 0.597 0.597 394 HA LYS 59 HA LYS 59 -6.964 -1.020 -1.020 395 1HB LYS 59 2HB LYS 59 -4.176 -1.729 -1.729 396 2HB LYS 59 1HB LYS 59 -5.102 -2.554 -2.554 397 1HG LYS 59 2HG LYS 59 -4.415 0.378 0.378 398 2HG LYS 59 1HG LYS 59 -3.305 -0.873 -0.873 399 1HD LYS 59 2HD LYS 59 -6.052 -1.316 -1.316 400 2HD LYS 59 1HD LYS 59 -5.384 0.212 0.212 401 1HE LYS 59 2HE LYS 59 -3.767 -2.332 -2.332 402 2HE LYS 59 1HE LYS 59 -4.939 -1.894 -1.894 403 1HZ LYS 59 1HZ LYS 59 -3.206 0.237 0.237 404 2HZ LYS 59 3HZ LYS 59 -2.455 -0.960 -0.960 405 3HZ LYS 59 2HZ LYS 59 -3.763 -0.082 -0.082 406 H VAL 60 H VAL 60 -6.778 -0.238 -0.238 407 HA VAL 60 HA VAL 60 -7.273 -3.011 -3.011 408 HB VAL 60 HB VAL 60 -6.805 -1.585 -1.585 409 1HG1 VAL 60 3HG1 VAL 60 -4.971 -2.962 -2.962 410 2HG1 VAL 60 2HG1 VAL 60 -4.273 -2.138 -2.138 411 3HG1 VAL 60 1HG1 VAL 60 -5.448 -3.431 -3.431 412 1HG2 VAL 60 1HG2 VAL 60 -5.319 -0.121 -0.121 413 2HG2 VAL 60 3HG2 VAL 60 -6.481 0.554 0.554 414 3HG2 VAL 60 2HG2 VAL 60 -4.911 -0.007 -0.007 415 HA PRO 61 HA PRO 61 -11.404 -1.917 -1.917 416 1HB PRO 61 2HB PRO 61 -11.734 -3.194 -3.194 417 2HB PRO 61 1HB PRO 61 -11.734 -4.017 -4.017 418 1HG PRO 61 2HG PRO 61 -9.505 -3.712 -3.712 419 2HG PRO 61 1HG PRO 61 -10.005 -5.152 -5.152 420 1HD PRO 61 2HD PRO 61 -7.892 -3.699 -3.699 421 2HD PRO 61 1HD PRO 61 -9.009 -4.421 -4.421 422 H ALA 62 H ALA 62 -12.667 -0.681 -0.681 423 HA ALA 62 HA ALA 62 -11.275 1.482 1.482 424 1HB ALA 62 1HB ALA 62 -13.623 1.014 1.014 425 2HB ALA 62 3HB ALA 62 -14.176 1.384 1.384 426 3HB ALA 62 2HB ALA 62 -13.158 2.535 2.535 427 H ALA 63 H ALA 63 -10.920 1.559 1.559 428 HA ALA 63 HA ALA 63 -11.707 -0.559 -0.559 429 1HB ALA 63 3HB ALA 63 -9.773 1.302 1.302 430 2HB ALA 63 2HB ALA 63 -10.917 2.150 2.150 431 3HB ALA 63 1HB ALA 63 -10.296 0.564 0.564 432 H ASN 64 H ASN 64 -13.177 -0.338 -0.338 433 HA ASN 64 HA ASN 64 -15.470 1.452 1.452 434 1HB ASN 64 2HB ASN 64 -16.612 -0.122 -0.122 435 2HB ASN 64 1HB ASN 64 -15.964 -0.898 -0.898 436 1HD2 ASN 64 2HD2 ASN 64 -14.721 -3.054 -3.054 437 2HD2 ASN 64 1HD2 ASN 64 -16.149 -2.772 -2.772 438 H GLU 65 H GLU 65 -16.715 1.792 1.792 439 HA GLU 65 HA GLU 65 -15.583 3.969 3.969 440 1HB GLU 65 2HB GLU 65 -17.267 3.567 3.567 441 2HB GLU 65 1HB GLU 65 -17.912 2.922 2.922 442 1HG GLU 65 2HG GLU 65 -16.625 0.726 0.726 443 2HG GLU 65 1HG GLU 65 -17.016 1.484 1.484 444 H ARG 66 H ARG 66 -14.701 0.604 0.604 445 HA ARG 66 HA ARG 66 -13.507 0.732 0.732 446 1HB ARG 66 2HB ARG 66 -13.778 -1.092 -1.092 447 2HB ARG 66 1HB ARG 66 -12.056 -0.974 -0.974 448 1HG ARG 66 2HG ARG 66 -12.486 -1.464 -1.464 449 2HG ARG 66 1HG ARG 66 -14.227 -1.511 -1.511 450 1HD ARG 66 2HD ARG 66 -12.183 -3.364 -3.364 451 2HD ARG 66 1HD ARG 66 -13.284 -3.805 -3.805 452 HE ARG 66 HE ARG 66 -14.792 -2.634 -2.634 453 1HH1 ARG 66 1HH2 ARG 66 -12.674 -5.299 -5.299 454 2HH1 ARG 66 2HH2 ARG 66 -13.737 -6.429 -6.429 455 1HH2 ARG 66 1HH1 ARG 66 -16.336 -4.157 -4.157 456 2HH2 ARG 66 2HH1 ARG 66 -15.810 -5.781 -5.781 457 H GLU 67 H GLU 67 -11.931 0.837 0.837 458 HA GLU 67 HA GLU 67 -9.386 1.683 1.683 459 1HB GLU 67 2HB GLU 67 -9.590 0.617 0.617 460 2HB GLU 67 1HB GLU 67 -10.812 1.772 1.772 461 1HG GLU 67 2HG GLU 67 -9.229 3.515 3.515 462 2HG GLU 67 1HG GLU 67 -8.036 2.673 2.673 463 H ILE 68 H ILE 68 -12.078 3.539 3.539 464 HA ILE 68 HA ILE 68 -10.903 6.008 6.008 465 HB ILE 68 HB ILE 68 -13.506 5.077 5.077 466 1HG1 ILE 68 2HG1 ILE 68 -14.385 5.965 5.965 467 2HG1 ILE 68 1HG1 ILE 68 -12.936 6.930 6.930 468 1HG2 ILE 68 2HG2 ILE 68 -12.904 7.168 7.168 469 2HG2 ILE 68 1HG2 ILE 68 -12.827 8.017 8.017 470 3HG2 ILE 68 3HG2 ILE 68 -14.353 7.321 7.321 471 1HD1 ILE 68 1HD1 ILE 68 -12.712 3.939 3.939 472 2HD1 ILE 68 3HD1 ILE 68 -13.248 4.670 4.670 473 3HD1 ILE 68 2HD1 ILE 68 -11.663 5.072 5.072 474 H GLY 69 H GLY 69 -11.640 4.618 4.618 475 1HA GLY 69 2HA GLY 69 -10.403 6.982 6.982 476 2HA GLY 69 1HA GLY 69 -11.168 5.641 5.641 477 H MET 70 H MET 70 -9.893 3.436 3.436 478 HA MET 70 HA MET 70 -7.445 3.329 3.329 479 1HB MET 70 2HB MET 70 -7.032 1.361 1.361 480 2HB MET 70 1HB MET 70 -8.512 1.293 1.293 481 1HG MET 70 2HG MET 70 -9.543 2.530 2.530 482 2HG MET 70 1HG MET 70 -8.098 1.972 1.972 483 1HE MET 70 3HE MET 70 -7.521 0.108 0.108 484 2HE MET 70 2HE MET 70 -7.359 -0.889 -0.889 485 3HE MET 70 1HE MET 70 -8.291 -1.492 -1.492 486 H LEU 71 H LEU 71 -8.057 3.898 3.898 487 HA LEU 71 HA LEU 71 -5.312 4.164 4.164 488 1HB LEU 71 2HB LEU 71 -7.419 3.519 3.519 489 2HB LEU 71 1HB LEU 71 -7.923 5.209 5.209 490 HG LEU 71 HG LEU 71 -5.923 3.968 3.968 491 1HD1 LEU 71 3HD1 LEU 71 -8.227 5.701 5.701 492 2HD1 LEU 71 2HD1 LEU 71 -6.865 6.508 6.508 493 3HD1 LEU 71 1HD1 LEU 71 -7.394 4.921 4.921 494 1HD2 LEU 71 3HD2 LEU 71 -4.454 5.384 5.384 495 2HD2 LEU 71 2HD2 LEU 71 -4.599 6.035 6.035 496 3HD2 LEU 71 1HD2 LEU 71 -5.508 6.765 6.765 497 H GLU 72 H GLU 72 -7.815 6.365 6.365 498 HA GLU 72 HA GLU 72 -6.127 8.760 8.760 499 1HB GLU 72 2HB GLU 72 -8.410 9.114 9.114 500 2HB GLU 72 1HB GLU 72 -8.926 8.146 8.146 501 1HG GLU 72 2HG GLU 72 -8.592 9.850 9.850 502 2HG GLU 72 1HG GLU 72 -7.313 10.603 10.603 503 H CYS 73 H CYS 73 -6.126 6.355 6.355 504 HA CYS 73 HA CYS 73 -6.320 7.528 7.528 505 1HB CYS 73 2HB CYS 73 -4.682 5.384 5.384 506 2HB CYS 73 1HB CYS 73 -4.206 5.899 5.899 507 HG CYS 73 HG CYS 73 -7.170 5.435 5.435 508 H VAL 74 H VAL 74 -3.344 7.397 7.397 509 HA VAL 74 HA VAL 74 -2.119 9.502 9.502 510 HB VAL 74 HB VAL 74 -0.150 8.998 8.998 511 1HG1 VAL 74 2HG1 VAL 74 -1.388 7.326 7.326 512 2HG1 VAL 74 1HG1 VAL 74 -0.957 6.255 6.255 513 3HG1 VAL 74 3HG1 VAL 74 0.287 7.226 7.226 514 1HG2 VAL 74 2HG2 VAL 74 -2.223 8.010 8.010 515 2HG2 VAL 74 1HG2 VAL 74 -0.501 8.156 8.156 516 3HG2 VAL 74 3HG2 VAL 74 -1.133 6.676 6.676 517 H THR 75 H THR 75 -2.991 11.502 11.502 518 HA THR 75 HA THR 75 -4.182 12.415 12.415 519 HB THR 75 HB THR 75 -4.002 13.582 13.582 520 HG1 THR 75 1HG THR 75 -4.422 15.299 15.299 521 1HG2 THR 75 3HG2 THR 75 -1.238 13.163 13.163 522 2HG2 THR 75 2HG2 THR 75 -1.485 14.910 14.910 523 3HG2 THR 75 1HG2 THR 75 -1.993 13.988 13.988 524 H ALA 76 H ALA 76 -3.150 11.741 11.741 525 HA ALA 76 HA ALA 76 -0.533 13.090 13.090 526 1HB ALA 76 2HB ALA 76 -1.494 10.271 10.271 527 2HB ALA 76 1HB ALA 76 -0.262 10.950 10.950 528 3HB ALA 76 3HB ALA 76 0.042 10.823 10.823 529 H GLU 77 H GLU 77 -2.886 14.380 14.380 530 HA GLU 77 HA GLU 77 -4.282 15.093 15.093 531 1HB GLU 77 2HB GLU 77 -2.852 15.767 15.767 532 2HB GLU 77 1HB GLU 77 -2.083 16.147 16.147 533 1HG GLU 77 2HG GLU 77 -0.626 14.251 14.251 534 2HG GLU 77 1HG GLU 77 -1.530 13.591 13.591 535 H LEU 78 H LEU 78 -5.073 12.676 12.676 536 HA LEU 78 HA LEU 78 -4.785 10.472 10.472 537 1HB LEU 78 2HB LEU 78 -6.848 11.853 11.853 538 2HB LEU 78 1HB LEU 78 -7.485 11.483 11.483 539 HG LEU 78 HG LEU 78 -6.957 9.124 9.124 540 1HD1 LEU 78 3HD1 LEU 78 -5.276 10.186 10.186 541 2HD1 LEU 78 2HD1 LEU 78 -6.260 8.831 8.831 542 3HD1 LEU 78 1HD1 LEU 78 -5.181 8.634 8.634 543 1HD2 LEU 78 3HD2 LEU 78 -8.487 10.510 10.510 544 2HD2 LEU 78 2HD2 LEU 78 -9.086 9.493 9.493 545 3HD2 LEU 78 1HD2 LEU 78 -8.276 8.762 8.762 546 H LYS 79 H LYS 79 -4.995 9.756 9.756 547 HA LYS 79 HA LYS 79 -5.479 11.852 11.852 548 1HB LYS 79 2HB LYS 79 -3.836 9.379 9.379 549 2HB LYS 79 1HB LYS 79 -3.736 10.899 10.899 550 1HG LYS 79 2HG LYS 79 -2.900 12.023 12.023 551 2HG LYS 79 1HG LYS 79 -2.946 10.474 10.474 552 1HD LYS 79 2HD LYS 79 -1.186 11.294 11.294 553 2HD LYS 79 1HD LYS 79 -0.712 10.628 10.628 554 1HE LYS 79 2HE LYS 79 -1.771 8.481 8.481 555 2HE LYS 79 1HE LYS 79 -2.239 9.153 9.153 556 1HZ LYS 79 1HZ LYS 79 0.563 9.340 9.340 557 2HZ LYS 79 3HZ LYS 79 0.011 7.888 7.888 558 3HZ LYS 79 2HZ LYS 79 -0.054 9.326 9.326 559 HA PRO 80 HA PRO 80 -8.556 9.228 9.228 560 1HB PRO 80 2HB PRO 80 -7.961 9.177 9.177 561 2HB PRO 80 1HB PRO 80 -8.678 10.588 10.588 562 1HG PRO 80 2HG PRO 80 -5.844 10.075 10.075 563 2HG PRO 80 1HG PRO 80 -6.784 11.573 11.573 564 1HD PRO 80 2HD PRO 80 -4.992 11.092 11.092 565 2HD PRO 80 1HD PRO 80 -6.439 12.090 12.090 566 H ASN 81 H ASN 81 -5.216 8.499 8.499 567 HA ASN 81 HA ASN 81 -5.911 5.661 5.661 568 1HB ASN 81 2HB ASN 81 -3.425 5.621 5.621 569 2HB ASN 81 1HB ASN 81 -4.422 6.656 6.656 570 1HD2 ASN 81 2HD2 ASN 81 -1.308 8.335 8.335 571 2HD2 ASN 81 1HD2 ASN 81 -1.463 6.708 6.708 572 H SER 82 H SER 82 -4.994 7.556 7.556 573 HA SER 82 HA SER 82 -3.045 6.092 6.092 574 1HB SER 82 2HB SER 82 -5.639 7.122 7.122 575 2HB SER 82 1HB SER 82 -4.081 6.989 6.989 576 HG SER 82 HG SER 82 -3.319 8.479 8.479 577 H ARG 83 H ARG 83 -3.372 4.501 4.501 578 HA ARG 83 HA ARG 83 -5.724 2.833 2.833 579 1HB ARG 83 2HB ARG 83 -4.001 2.438 2.438 580 2HB ARG 83 1HB ARG 83 -3.748 1.084 1.084 581 1HG ARG 83 2HG ARG 83 -5.559 0.224 0.224 582 2HG ARG 83 1HG ARG 83 -6.426 1.215 1.215 583 1HD ARG 83 2HD ARG 83 -7.236 2.571 2.571 584 2HD ARG 83 1HD ARG 83 -5.651 2.697 2.697 585 HE ARG 83 HE ARG 83 -6.871 0.058 0.058 586 1HH1 ARG 83 1HH1 ARG 83 -5.068 1.877 1.877 587 2HH1 ARG 83 2HH1 ARG 83 -6.132 2.033 2.033 588 1HH2 ARG 83 1HH2 ARG 83 -8.908 0.842 0.842 589 2HH2 ARG 83 2HH2 ARG 83 -8.305 1.446 1.446 590 H LEU 84 H LEU 84 -5.203 0.842 0.842 591 HA LEU 84 HA LEU 84 -3.008 1.461 1.461 592 1HB LEU 84 2HB LEU 84 -5.681 0.427 0.427 593 2HB LEU 84 1HB LEU 84 -4.588 -0.837 -0.837 594 HG LEU 84 HG LEU 84 -4.738 2.011 2.011 595 1HD1 LEU 84 1HD1 LEU 84 -5.709 -0.649 -0.649 596 2HD1 LEU 84 3HD1 LEU 84 -4.989 0.381 0.381 597 3HD1 LEU 84 2HD1 LEU 84 -6.382 0.960 0.960 598 1HD2 LEU 84 2HD2 LEU 84 -2.481 0.420 0.420 599 2HD2 LEU 84 1HD2 LEU 84 -2.723 1.718 1.718 600 3HD2 LEU 84 3HD2 LEU 84 -3.093 0.053 0.053 601 H SER 85 H SER 85 -1.236 0.010 0.010 602 HA SER 85 HA SER 85 -0.246 -1.439 -1.439 603 1HB SER 85 2HB SER 85 -0.061 -2.475 -2.475 604 2HB SER 85 1HB SER 85 1.143 -2.558 -2.558 605 HG SER 85 HG SER 85 1.641 -0.885 -0.885 606 H CYS 86 H CYS 86 -2.823 -2.431 -2.431 607 HA CYS 86 HA CYS 86 -2.924 -5.135 -5.135 608 1HB CYS 86 2HB CYS 86 -4.477 -4.356 -4.356 609 2HB CYS 86 1HB CYS 86 -3.731 -5.893 -5.893 610 H GLN 87 H GLN 87 -3.936 -2.992 -2.992 611 HA GLN 87 HA GLN 87 -6.844 -3.514 -3.514 612 1HB GLN 87 2HB GLN 87 -5.259 -1.025 -1.025 613 2HB GLN 87 1HB GLN 87 -6.679 -1.077 -1.077 614 1HG GLN 87 2HG GLN 87 -6.647 -1.580 -1.580 615 2HG GLN 87 1HG GLN 87 -7.280 -0.143 -0.143 616 1HE2 GLN 87 2HE2 GLN 87 -9.429 -3.632 -3.632 617 2HE2 GLN 87 1HE2 GLN 87 -7.791 -3.652 -3.652 618 H ILE 88 H ILE 88 -4.048 -2.941 -2.941 619 HA ILE 88 HA ILE 88 -5.677 -3.417 -3.417 620 HB ILE 88 HB ILE 88 -2.748 -3.263 -3.263 621 1HG1 ILE 88 2HG1 ILE 88 -4.313 -1.072 -1.072 622 2HG1 ILE 88 1HG1 ILE 88 -2.770 -1.771 -1.771 623 1HG2 ILE 88 1HG2 ILE 88 -4.851 -2.930 -2.930 624 2HG2 ILE 88 3HG2 ILE 88 -4.618 -1.253 -1.253 625 3HG2 ILE 88 2HG2 ILE 88 -3.300 -2.136 -2.136 626 1HD1 ILE 88 2HD1 ILE 88 -1.702 -0.795 -0.795 627 2HD1 ILE 88 1HD1 ILE 88 -3.245 -0.088 -0.088 628 3HD1 ILE 88 3HD1 ILE 88 -2.444 0.458 0.458 629 H ILE 89 H ILE 89 -5.315 -5.177 -5.177 630 HA ILE 89 HA ILE 89 -3.968 -7.524 -7.524 631 HB ILE 89 HB ILE 89 -6.307 -7.136 -7.136 632 1HG1 ILE 89 2HG1 ILE 89 -6.937 -7.040 -7.040 633 2HG1 ILE 89 1HG1 ILE 89 -7.354 -8.665 -8.665 634 1HG2 ILE 89 3HG2 ILE 89 -4.838 -8.953 -8.953 635 2HG2 ILE 89 2HG2 ILE 89 -4.969 -9.762 -9.762 636 3HG2 ILE 89 1HG2 ILE 89 -6.401 -9.550 -9.550 637 1HD1 ILE 89 1HD1 ILE 89 -5.041 -9.375 -9.375 638 2HD1 ILE 89 3HD1 ILE 89 -4.976 -7.807 -7.807 639 3HD1 ILE 89 2HD1 ILE 89 -6.237 -8.964 -8.964 640 H MET 90 H MET 90 -2.733 -8.909 -8.909 641 HA MET 90 HA MET 90 -1.636 -7.365 -7.365 642 1HB MET 90 2HB MET 90 -0.457 -8.502 -8.502 643 2HB MET 90 1HB MET 90 -0.160 -9.704 -9.704 644 1HG MET 90 2HG MET 90 1.653 -8.024 -8.024 645 2HG MET 90 1HG MET 90 0.783 -7.966 -7.966 646 1HE MET 90 1HE MET 90 0.609 -6.222 -6.222 647 2HE MET 90 3HE MET 90 -1.042 -5.737 -5.737 648 3HE MET 90 2HE MET 90 0.268 -4.558 -4.558 649 H THR 91 H THR 91 -2.504 -8.075 -8.075 650 HA THR 91 HA THR 91 -3.144 -10.985 -10.985 651 HB THR 91 HB THR 91 -4.250 -9.753 -9.753 652 HG1 THR 91 1HG THR 91 -4.625 -7.826 -7.826 653 1HG2 THR 91 3HG2 THR 91 -5.373 -9.795 -9.795 654 2HG2 THR 91 2HG2 THR 91 -6.328 -9.610 -9.610 655 3HG2 THR 91 1HG2 THR 91 -5.455 -11.113 -11.113 656 HA PRO 92 HA PRO 92 -0.016 -11.493 -11.493 657 1HB PRO 92 2HB PRO 92 -1.265 -12.878 -12.878 658 2HB PRO 92 1HB PRO 92 -0.845 -13.602 -13.602 659 1HG PRO 92 2HG PRO 92 -3.468 -12.616 -12.616 660 2HG PRO 92 1HG PRO 92 -3.095 -14.005 -14.005 661 1HD PRO 92 2HD PRO 92 -4.066 -11.612 -11.612 662 2HD PRO 92 1HD PRO 92 -3.116 -12.751 -12.751 663 H GLU 93 H GLU 93 -2.611 -9.472 -9.472 664 HA GLU 93 HA GLU 93 -1.580 -8.636 -8.636 665 1HB GLU 93 2HB GLU 93 -3.864 -7.450 -7.450 666 2HB GLU 93 1HB GLU 93 -3.897 -9.212 -9.212 667 1HG GLU 93 2HG GLU 93 -4.583 -9.396 -9.396 668 2HG GLU 93 1HG GLU 93 -3.982 -7.792 -7.792 669 H LEU 94 H LEU 94 -2.273 -7.560 -7.560 670 HA LEU 94 HA LEU 94 -1.493 -4.764 -4.764 671 1HB LEU 94 2HB LEU 94 -2.282 -6.071 -6.071 672 2HB LEU 94 1HB LEU 94 -2.283 -4.351 -4.351 673 HG LEU 94 HG LEU 94 -4.144 -6.495 -6.495 674 1HD1 LEU 94 3HD1 LEU 94 -4.642 -5.031 -5.031 675 2HD1 LEU 94 2HD1 LEU 94 -4.660 -3.653 -3.653 676 3HD1 LEU 94 1HD1 LEU 94 -5.842 -4.947 -4.947 677 1HD2 LEU 94 2HD2 LEU 94 -3.195 -5.310 -5.310 678 2HD2 LEU 94 1HD2 LEU 94 -4.919 -4.985 -4.985 679 3HD2 LEU 94 3HD2 LEU 94 -3.723 -3.779 -3.779 680 H ASP 95 H ASP 95 0.627 -6.360 -6.360 681 HA ASP 95 HA ASP 95 2.229 -6.408 -6.408 682 1HB ASP 95 2HB ASP 95 3.775 -7.730 -7.730 683 2HB ASP 95 1HB ASP 95 2.227 -8.471 -8.471 684 H GLY 96 H GLY 96 4.164 -5.353 -5.353 685 1HA GLY 96 2HA GLY 96 6.019 -3.969 -3.969 686 2HA GLY 96 1HA GLY 96 4.951 -3.428 -3.428 687 H ILE 97 H ILE 97 3.589 -3.839 -3.839 688 HA ILE 97 HA ILE 97 2.640 -1.152 -1.152 689 HB ILE 97 HB ILE 97 1.221 -2.770 -2.770 690 1HG1 ILE 97 2HG1 ILE 97 1.007 -2.267 -2.267 691 2HG1 ILE 97 1HG1 ILE 97 2.680 -1.711 -1.711 692 1HG2 ILE 97 3HG2 ILE 97 3.737 -3.999 -3.999 693 2HG2 ILE 97 2HG2 ILE 97 2.546 -4.068 -4.068 694 3HG2 ILE 97 1HG2 ILE 97 2.172 -4.751 -4.751 695 1HD1 ILE 97 3HD1 ILE 97 1.797 -0.141 -0.141 696 2HD1 ILE 97 2HD1 ILE 97 0.280 -0.369 -0.369 697 3HD1 ILE 97 1HD1 ILE 97 1.673 0.325 0.325 698 H VAL 98 H VAL 98 3.423 0.623 0.623 699 HA VAL 98 HA VAL 98 5.864 0.401 0.401 700 HB VAL 98 HB VAL 98 4.660 2.839 2.839 701 1HG1 VAL 98 2HG1 VAL 98 7.386 2.139 2.139 702 2HG1 VAL 98 1HG1 VAL 98 7.100 3.551 3.551 703 3HG1 VAL 98 3HG1 VAL 98 6.293 3.411 3.411 704 1HG2 VAL 98 3HG2 VAL 98 5.135 1.000 1.000 705 2HG2 VAL 98 2HG2 VAL 98 6.151 2.422 2.422 706 3HG2 VAL 98 1HG2 VAL 98 6.809 0.990 0.990 707 H VAL 99 H VAL 99 5.464 0.676 0.676 708 HA VAL 99 HA VAL 99 2.890 1.980 1.980 709 HB VAL 99 HB VAL 99 4.781 0.736 0.736 710 1HG1 VAL 99 2HG1 VAL 99 1.897 1.224 1.224 711 2HG1 VAL 99 1HG1 VAL 99 2.317 -0.334 -0.334 712 3HG1 VAL 99 3HG1 VAL 99 2.926 1.171 1.171 713 1HG2 VAL 99 2HG2 VAL 99 3.750 -0.652 -0.652 714 2HG2 VAL 99 1HG2 VAL 99 4.992 -1.122 -1.122 715 3HG2 VAL 99 3HG2 VAL 99 3.293 -1.416 -1.416 716 H ASP 100 H ASP 100 3.331 2.890 2.890 717 HA ASP 100 HA ASP 100 5.863 4.238 4.238 718 1HB ASP 100 2HB ASP 100 3.391 5.761 5.761 719 2HB ASP 100 1HB ASP 100 4.755 6.540 6.540 720 H VAL 101 H VAL 101 6.104 4.798 4.798 721 HA VAL 101 HA VAL 101 3.755 4.171 4.171 722 HB VAL 101 HB VAL 101 6.743 4.299 4.299 723 1HG1 VAL 101 2HG1 VAL 101 4.739 5.015 5.015 724 2HG1 VAL 101 1HG1 VAL 101 5.610 3.564 3.564 725 3HG1 VAL 101 3HG1 VAL 101 6.497 5.047 5.047 726 1HG2 VAL 101 2HG2 VAL 101 5.629 2.196 2.196 727 2HG2 VAL 101 1HG2 VAL 101 6.396 2.002 2.002 728 3HG2 VAL 101 3HG2 VAL 101 4.647 2.202 2.202 729 HA PRO 102 HA PRO 102 3.363 8.672 8.672 730 1HB PRO 102 2HB PRO 102 0.881 8.630 8.630 731 2HB PRO 102 1HB PRO 102 1.171 8.356 8.356 732 1HG PRO 102 2HG PRO 102 0.710 6.369 6.369 733 2HG PRO 102 1HG PRO 102 0.066 6.411 6.411 734 1HD PRO 102 2HD PRO 102 2.123 4.824 4.824 735 2HD PRO 102 1HD PRO 102 1.989 5.560 5.560 736 H ASP 103 H ASP 103 5.050 8.666 8.666 737 HA ASP 103 HA ASP 103 3.706 8.785 8.785 738 1HB ASP 103 2HB ASP 103 5.685 7.191 7.191 739 2HB ASP 103 1HB ASP 103 6.674 8.647 8.647 740 H ARG 104 H ARG 104 3.547 11.013 11.013 741 HA ARG 104 HA ARG 104 5.538 12.972 12.972 742 1HB ARG 104 2HB ARG 104 3.632 14.569 14.569 743 2HB ARG 104 1HB ARG 104 3.791 13.235 13.235 744 1HG ARG 104 2HG ARG 104 1.444 13.508 13.508 745 2HG ARG 104 1HG ARG 104 2.031 11.994 11.994 746 1HD ARG 104 2HD ARG 104 2.336 14.372 14.372 747 2HD ARG 104 1HD ARG 104 0.673 13.820 13.820 748 HE ARG 104 HE ARG 104 2.727 11.790 11.790 749 1HH1 ARG 104 1HH2 ARG 104 0.355 10.476 10.476 750 2HH1 ARG 104 2HH2 ARG 104 -0.297 10.855 10.855 751 1HH2 ARG 104 1HH1 ARG 104 1.705 13.650 13.650 752 2HH2 ARG 104 2HH1 ARG 104 0.467 12.651 12.651 753 H GLN 105 H GLN 105 4.659 15.218 15.218 754 HA GLN 105 HA GLN 105 4.265 14.427 14.427 755 1HB GLN 105 2HB GLN 105 6.156 16.204 16.204 756 2HB GLN 105 1HB GLN 105 5.540 16.828 16.828 757 1HG GLN 105 2HG GLN 105 6.621 15.239 15.239 758 2HG GLN 105 1HG GLN 105 6.393 13.986 13.986 759 1HE2 GLN 105 2HE2 GLN 105 9.756 16.311 16.311 760 2HE2 GLN 105 1HE2 GLN 105 8.474 16.704 16.704 761 H TRP 106 H TRP 106 2.972 16.118 16.118 762 HA TRP 106 HA TRP 106 1.569 18.144 18.144 763 1HB TRP 106 2HB TRP 106 1.583 17.518 17.518 764 2HB TRP 106 1HB TRP 106 0.818 18.926 18.926 765 HD1 TRP 106 HD TRP 106 3.857 18.066 18.066 766 HE1 TRP 106 1HE TRP 106 5.791 19.662 19.662 767 HE3 TRP 106 3HE TRP 106 1.909 20.291 20.291 768 HZ2 TRP 106 2HZ TRP 106 6.429 21.624 21.624 769 HZ3 TRP 106 3HZ TRP 106 3.198 22.020 22.020 770 HH2 TRP 106 HH TRP 106 5.454 22.688 22.688 Start of MODEL 4 1 1H SER 1 2HT SER 1 3.280 -11.555 -11.555 2 2H SER 1 1HT SER 1 1.674 -11.073 -11.073 3 3H SER 1 3HT SER 1 2.140 -11.657 -11.657 4 HA SER 1 HA SER 1 3.052 -9.703 -9.703 5 1HB SER 1 2HB SER 1 1.772 -7.996 -7.996 6 2HB SER 1 1HB SER 1 1.081 -8.631 -8.631 7 HG SER 1 HG SER 1 -0.283 -9.344 -9.344 8 H LYS 2 H LYS 2 4.675 -8.149 -8.149 9 HA LYS 2 HA LYS 2 6.299 -8.494 -8.494 10 1HB LYS 2 2HB LYS 2 6.949 -8.286 -8.286 11 2HB LYS 2 1HB LYS 2 6.857 -6.556 -6.556 12 1HG LYS 2 2HG LYS 2 8.768 -6.582 -6.582 13 2HG LYS 2 1HG LYS 2 8.320 -8.074 -8.074 14 1HD LYS 2 2HD LYS 2 9.418 -7.897 -7.897 15 2HD LYS 2 1HD LYS 2 10.333 -8.400 -8.400 16 1HE LYS 2 2HE LYS 2 8.295 -10.114 -10.114 17 2HE LYS 2 1HE LYS 2 8.209 -9.877 -9.877 18 1HZ LYS 2 1HZ LYS 2 10.824 -10.050 -10.050 19 2HZ LYS 2 3HZ LYS 2 10.357 -11.020 -11.020 20 3HZ LYS 2 2HZ LYS 2 9.852 -11.420 -11.420 21 H VAL 3 H VAL 3 6.350 -6.955 -6.955 22 HA VAL 3 HA VAL 3 4.927 -4.380 -4.380 23 HB VAL 3 HB VAL 3 4.889 -6.283 -6.283 24 1HG1 VAL 3 3HG1 VAL 3 4.715 -3.334 -3.334 25 2HG1 VAL 3 2HG1 VAL 3 3.379 -4.160 -4.160 26 3HG1 VAL 3 1HG1 VAL 3 5.040 -4.469 -4.469 27 1HG2 VAL 3 1HG2 VAL 3 3.188 -5.728 -5.728 28 2HG2 VAL 3 3HG2 VAL 3 2.769 -6.637 -6.637 29 3HG2 VAL 3 2HG2 VAL 3 2.445 -4.905 -4.905 30 H VAL 4 H VAL 4 5.800 -2.511 -2.511 31 HA VAL 4 HA VAL 4 8.453 -2.755 -2.755 32 HB VAL 4 HB VAL 4 7.839 -1.814 -1.814 33 1HG1 VAL 4 3HG1 VAL 4 7.411 0.384 0.384 34 2HG1 VAL 4 2HG1 VAL 4 9.106 0.355 0.355 35 3HG1 VAL 4 1HG1 VAL 4 8.679 0.433 0.433 36 1HG2 VAL 4 3HG2 VAL 4 10.185 -2.302 -2.302 37 2HG2 VAL 4 2HG2 VAL 4 9.871 -2.833 -2.833 38 3HG2 VAL 4 1HG2 VAL 4 10.455 -1.199 -1.199 39 H TYR 5 H TYR 5 8.528 -1.520 -1.520 40 HA TYR 5 HA TYR 5 6.313 0.450 0.450 41 1HB TYR 5 2HB TYR 5 8.024 -1.015 -1.015 42 2HB TYR 5 1HB TYR 5 6.711 0.066 0.066 43 HD1 TYR 5 2HD TYR 5 4.458 -0.425 -0.425 44 HD2 TYR 5 1HD TYR 5 7.613 -3.323 -3.323 45 HE1 TYR 5 2HE TYR 5 2.798 -2.239 -2.239 46 HE2 TYR 5 1HE TYR 5 5.968 -5.102 -5.102 47 HH TYR 5 HH TYR 5 2.938 -4.807 -4.807 48 H VAL 6 H VAL 6 6.860 2.474 2.474 49 HA VAL 6 HA VAL 6 9.704 3.296 3.296 50 HB VAL 6 HB VAL 6 7.383 5.145 5.145 51 1HG1 VAL 6 3HG1 VAL 6 9.789 5.915 5.915 52 2HG1 VAL 6 2HG1 VAL 6 10.192 5.150 5.150 53 3HG1 VAL 6 1HG1 VAL 6 9.042 6.487 6.487 54 1HG2 VAL 6 2HG2 VAL 6 8.405 2.981 2.981 55 2HG2 VAL 6 1HG2 VAL 6 6.862 3.834 3.834 56 3HG2 VAL 6 3HG2 VAL 6 8.294 4.562 4.562 57 H SER 7 H SER 7 10.253 4.801 4.801 58 HA SER 7 HA SER 7 8.260 4.856 4.856 59 1HB SER 7 2HB SER 7 10.394 5.099 5.099 60 2HB SER 7 1HB SER 7 10.205 3.555 3.555 61 HG SER 7 HG SER 7 11.466 5.654 5.654 62 H HIS 8 H HIS 8 7.812 6.829 6.829 63 HA HIS 8 HA HIS 8 7.871 9.224 9.224 64 1HB HIS 8 2HB HIS 8 7.972 10.175 10.175 65 2HB HIS 8 1HB HIS 8 6.623 9.161 9.161 66 HD1 HIS 8 1HD HIS 8 6.152 7.363 7.363 67 HD2 HIS 8 2HD HIS 8 10.178 8.381 8.381 68 HE1 HIS 8 1HE HIS 8 7.207 5.843 5.843 69 H ASP 9 H ASP 9 10.621 7.710 7.710 70 HA ASP 9 HA ASP 9 12.224 10.194 10.194 71 1HB ASP 9 2HB ASP 9 13.737 9.050 9.050 72 2HB ASP 9 1HB ASP 9 12.161 8.458 8.458 73 H GLY 10 H GLY 10 11.395 7.764 7.764 74 1HA GLY 10 2HA GLY 10 12.356 7.910 7.910 75 2HA GLY 10 1HA GLY 10 13.927 8.179 8.179 76 H THR 11 H THR 11 13.542 6.013 6.013 77 HA THR 11 HA THR 11 14.778 3.882 3.882 78 HB THR 11 HB THR 11 13.590 4.519 4.519 79 HG1 THR 11 1HG THR 11 15.546 3.868 3.868 80 1HG2 THR 11 2HG2 THR 11 11.867 2.781 2.781 81 2HG2 THR 11 1HG2 THR 11 13.180 1.608 1.608 82 3HG2 THR 11 3HG2 THR 11 12.660 2.462 2.462 83 H ARG 12 H ARG 12 14.068 2.132 2.132 84 HA ARG 12 HA ARG 12 11.140 1.950 1.950 85 1HB ARG 12 2HB ARG 12 13.586 2.169 2.169 86 2HB ARG 12 1HB ARG 12 12.363 1.036 1.036 87 1HG ARG 12 2HG ARG 12 10.677 2.961 2.961 88 2HG ARG 12 1HG ARG 12 12.101 4.003 4.003 89 1HD ARG 12 2HD ARG 12 12.104 2.140 2.140 90 2HD ARG 12 1HD ARG 12 10.749 3.288 3.288 91 HE ARG 12 HE ARG 12 12.641 5.031 5.031 92 1HH1 ARG 12 1HH1 ARG 12 15.128 4.161 4.161 93 2HH1 ARG 12 2HH1 ARG 12 15.443 3.928 3.928 94 1HH2 ARG 12 1HH2 ARG 12 12.093 3.885 3.885 95 2HH2 ARG 12 2HH2 ARG 12 13.725 3.771 3.771 96 H ARG 13 H ARG 13 10.318 -0.055 -0.055 97 HA ARG 13 HA ARG 13 12.202 -2.351 -2.351 98 1HB ARG 13 2HB ARG 13 10.470 -1.448 -1.448 99 2HB ARG 13 1HB ARG 13 9.281 -2.280 -2.280 100 1HG ARG 13 2HG ARG 13 9.787 -4.101 -4.101 101 2HG ARG 13 1HG ARG 13 11.231 -4.190 -4.190 102 1HD ARG 13 2HD ARG 13 11.996 -4.262 -4.262 103 2HD ARG 13 1HD ARG 13 12.346 -2.623 -2.623 104 HE ARG 13 HE ARG 13 9.823 -3.235 -3.235 105 1HH1 ARG 13 1HH2 ARG 13 11.812 -0.842 -0.842 106 2HH1 ARG 13 2HH2 ARG 13 11.787 0.170 0.170 107 1HH2 ARG 13 1HH1 ARG 13 10.142 -2.158 -2.158 108 2HH2 ARG 13 2HH1 ARG 13 10.842 -0.574 -0.574 109 H GLU 14 H GLU 14 11.546 -4.445 -4.445 110 HA GLU 14 HA GLU 14 9.604 -4.178 -4.178 111 1HB GLU 14 2HB GLU 14 12.445 -4.552 -4.552 112 2HB GLU 14 1HB GLU 14 11.696 -6.046 -6.046 113 1HG GLU 14 2HG GLU 14 10.193 -4.273 -4.273 114 2HG GLU 14 1HG GLU 14 11.684 -3.340 -3.340 115 H LEU 15 H LEU 15 8.163 -5.842 -5.842 116 HA LEU 15 HA LEU 15 8.677 -8.276 -8.276 117 1HB LEU 15 2HB LEU 15 6.270 -6.531 -6.531 118 2HB LEU 15 1HB LEU 15 6.051 -8.224 -8.224 119 HG LEU 15 HG LEU 15 7.404 -6.056 -6.056 120 1HD1 LEU 15 1HD1 LEU 15 4.839 -7.092 -7.092 121 2HD1 LEU 15 3HD1 LEU 15 5.645 -8.051 -8.051 122 3HD1 LEU 15 2HD1 LEU 15 5.598 -6.295 -6.295 123 1HD2 LEU 15 3HD2 LEU 15 8.825 -8.084 -8.084 124 2HD2 LEU 15 2HD2 LEU 15 8.061 -7.726 -7.726 125 3HD2 LEU 15 1HD2 LEU 15 7.402 -9.013 -9.013 126 H ASP 16 H ASP 16 8.231 -10.216 -10.216 127 HA ASP 16 HA ASP 16 7.439 -10.184 -10.184 128 1HB ASP 16 2HB ASP 16 8.606 -12.380 -12.380 129 2HB ASP 16 1HB ASP 16 8.432 -12.446 -12.446 130 H VAL 17 H VAL 17 5.200 -9.745 -9.745 131 HA VAL 17 HA VAL 17 3.861 -11.845 -11.845 132 HB VAL 17 HB VAL 17 3.167 -9.080 -9.080 133 1HG1 VAL 17 3HG1 VAL 17 1.411 -11.108 -11.108 134 2HG1 VAL 17 2HG1 VAL 17 1.029 -9.389 -9.389 135 3HG1 VAL 17 1HG1 VAL 17 1.119 -10.357 -10.357 136 1HG2 VAL 17 2HG2 VAL 17 4.159 -10.274 -10.274 137 2HG2 VAL 17 1HG2 VAL 17 4.172 -8.588 -8.588 138 3HG2 VAL 17 3HG2 VAL 17 2.737 -9.262 -9.262 139 H ALA 18 H ALA 18 1.635 -12.512 -12.512 140 HA ALA 18 HA ALA 18 1.762 -12.887 -12.887 141 1HB ALA 18 2HB ALA 18 2.400 -14.875 -14.875 142 2HB ALA 18 1HB ALA 18 0.814 -14.826 -14.826 143 3HB ALA 18 3HB ALA 18 0.943 -15.156 -15.156 144 H ASP 19 H ASP 19 -0.715 -14.430 -14.430 145 HA ASP 19 HA ASP 19 -2.624 -12.199 -12.199 146 1HB ASP 19 2HB ASP 19 -3.798 -13.608 -13.608 147 2HB ASP 19 1HB ASP 19 -2.128 -14.106 -14.106 148 H GLY 20 H GLY 20 -3.894 -11.822 -11.822 149 1HA GLY 20 2HA GLY 20 -5.666 -12.681 -12.681 150 2HA GLY 20 1HA GLY 20 -4.680 -14.125 -14.125 151 H VAL 21 H VAL 21 -2.391 -11.857 -11.857 152 HA VAL 21 HA VAL 21 -2.462 -11.654 -11.654 153 HB VAL 21 HB VAL 21 -0.393 -11.302 -11.302 154 1HG1 VAL 21 3HG1 VAL 21 -0.077 -10.633 -10.633 155 2HG1 VAL 21 2HG1 VAL 21 1.244 -10.733 -10.733 156 3HG1 VAL 21 1HG1 VAL 21 0.005 -9.493 -9.493 157 1HG2 VAL 21 2HG2 VAL 21 -1.145 -13.376 -13.376 158 2HG2 VAL 21 1HG2 VAL 21 0.014 -13.457 -13.457 159 3HG2 VAL 21 3HG2 VAL 21 0.534 -12.890 -12.890 160 H SER 22 H SER 22 -1.595 -9.595 -9.595 161 HA SER 22 HA SER 22 -2.646 -7.180 -7.180 162 1HB SER 22 2HB SER 22 -2.601 -6.708 -6.708 163 2HB SER 22 1HB SER 22 -4.028 -7.063 -7.063 164 HG SER 22 HG SER 22 -3.654 -8.505 -8.505 165 H LEU 23 H LEU 23 -1.361 -5.115 -5.115 166 HA LEU 23 HA LEU 23 1.472 -5.766 -5.766 167 1HB LEU 23 2HB LEU 23 0.442 -3.061 -3.061 168 2HB LEU 23 1HB LEU 23 1.826 -3.480 -3.480 169 HG LEU 23 HG LEU 23 -1.030 -3.592 -3.592 170 1HD1 LEU 23 2HD1 LEU 23 0.738 -1.485 -1.485 171 2HD1 LEU 23 1HD1 LEU 23 0.985 -2.140 -2.140 172 3HD1 LEU 23 3HD1 LEU 23 -0.624 -1.629 -1.629 173 1HD2 LEU 23 1HD2 LEU 23 1.544 -4.559 -4.559 174 2HD2 LEU 23 3HD2 LEU 23 0.066 -5.487 -5.487 175 3HD2 LEU 23 2HD2 LEU 23 0.104 -4.222 -4.222 176 H MET 24 H MET 24 -0.858 -5.961 -5.961 177 HA MET 24 HA MET 24 0.826 -5.182 -5.182 178 1HB MET 24 2HB MET 24 -1.334 -4.838 -4.838 179 2HB MET 24 1HB MET 24 -1.959 -5.979 -5.979 180 1HG MET 24 2HG MET 24 -2.271 -7.503 -7.503 181 2HG MET 24 1HG MET 24 -0.577 -7.445 -7.445 182 1HE MET 24 3HE MET 24 0.051 -4.920 -4.920 183 2HE MET 24 2HE MET 24 -1.003 -3.773 -3.773 184 3HE MET 24 1HE MET 24 0.047 -4.820 -4.820 185 H GLN 25 H GLN 25 -0.904 -8.177 -8.177 186 HA GLN 25 HA GLN 25 0.477 -9.827 -9.827 187 1HB GLN 25 2HB GLN 25 -1.104 -11.114 -11.114 188 2HB GLN 25 1HB GLN 25 -1.283 -9.941 -9.941 189 1HG GLN 25 2HG GLN 25 0.595 -11.068 -11.068 190 2HG GLN 25 1HG GLN 25 0.606 -12.305 -12.305 191 1HE2 GLN 25 2HE2 GLN 25 -2.974 -12.057 -12.057 192 2HE2 GLN 25 1HE2 GLN 25 -2.260 -10.635 -10.635 193 H ALA 26 H ALA 26 1.555 -9.505 -9.505 194 HA ALA 26 HA ALA 26 3.920 -11.062 -11.062 195 1HB ALA 26 1HB ALA 26 3.207 -8.795 -8.795 196 2HB ALA 26 3HB ALA 26 4.832 -9.509 -9.509 197 3HB ALA 26 2HB ALA 26 3.401 -10.510 -10.510 198 H ALA 27 H ALA 27 3.570 -7.516 -7.516 199 HA ALA 27 HA ALA 27 6.102 -6.733 -6.733 200 1HB ALA 27 1HB ALA 27 4.212 -5.332 -5.332 201 2HB ALA 27 3HB ALA 27 3.389 -5.565 -5.565 202 3HB ALA 27 2HB ALA 27 4.909 -4.678 -4.678 203 H VAL 28 H VAL 28 3.213 -7.113 -7.113 204 HA VAL 28 HA VAL 28 4.156 -6.770 -6.770 205 HB VAL 28 HB VAL 28 2.337 -8.777 -8.777 206 1HG1 VAL 28 2HG1 VAL 28 3.441 -8.966 -8.966 207 2HG1 VAL 28 1HG1 VAL 28 1.711 -8.634 -8.634 208 3HG1 VAL 28 3HG1 VAL 28 2.291 -10.044 -10.044 209 1HG2 VAL 28 1HG2 VAL 28 2.139 -6.100 -6.100 210 2HG2 VAL 28 3HG2 VAL 28 1.054 -6.955 -6.955 211 3HG2 VAL 28 2HG2 VAL 28 0.918 -7.209 -7.209 212 H SER 29 H SER 29 3.991 -10.092 -10.092 213 HA SER 29 HA SER 29 5.792 -11.363 -11.363 214 1HB SER 29 2HB SER 29 6.209 -12.268 -12.268 215 2HB SER 29 1HB SER 29 5.233 -13.025 -13.025 216 HG SER 29 HG SER 29 4.104 -12.392 -12.392 217 H ASN 30 H ASN 30 6.490 -9.749 -9.749 218 HA ASN 30 HA ASN 30 9.305 -10.153 -10.153 219 1HB ASN 30 2HB ASN 30 7.230 -8.458 -8.458 220 2HB ASN 30 1HB ASN 30 8.840 -7.751 -7.751 221 1HD2 ASN 30 2HD2 ASN 30 7.992 -10.981 -10.981 222 2HD2 ASN 30 1HD2 ASN 30 6.841 -10.351 -10.351 223 H GLY 31 H GLY 31 7.396 -8.396 -8.396 224 1HA GLY 31 2HA GLY 31 8.136 -7.207 -7.207 225 2HA GLY 31 1HA GLY 31 9.772 -7.218 -7.218 226 H ILE 32 H ILE 32 8.033 -6.161 -6.161 227 HA ILE 32 HA ILE 32 8.930 -3.509 -3.509 228 HB ILE 32 HB ILE 32 6.176 -4.387 -4.387 229 1HG1 ILE 32 2HG1 ILE 32 8.914 -5.091 -5.091 230 2HG1 ILE 32 1HG1 ILE 32 7.526 -6.149 -6.149 231 1HG2 ILE 32 1HG2 ILE 32 6.952 -1.969 -1.969 232 2HG2 ILE 32 3HG2 ILE 32 8.187 -2.567 -2.567 233 3HG2 ILE 32 2HG2 ILE 32 6.479 -2.762 -2.762 234 1HD1 ILE 32 3HD1 ILE 32 6.346 -4.799 -4.799 235 2HD1 ILE 32 2HD1 ILE 32 7.920 -4.086 -4.086 236 3HD1 ILE 32 1HD1 ILE 32 7.679 -5.823 -5.823 237 H TYR 33 H TYR 33 6.198 -4.963 -4.963 238 HA TYR 33 HA TYR 33 6.053 -2.650 -2.650 239 1HB TYR 33 2HB TYR 33 3.415 -3.814 -3.814 240 2HB TYR 33 1HB TYR 33 3.885 -2.120 -2.120 241 HD1 TYR 33 2HD TYR 33 5.563 -1.505 -1.505 242 HD2 TYR 33 1HD TYR 33 2.407 -4.396 -4.396 243 HE1 TYR 33 2HE TYR 33 5.254 -1.320 -1.320 244 HE2 TYR 33 1HE TYR 33 2.091 -4.222 -4.222 245 HH TYR 33 HH TYR 33 2.636 -3.070 -3.070 246 H ASP 34 H ASP 34 6.589 -3.735 -3.735 247 HA ASP 34 HA ASP 34 6.149 -6.536 -6.536 248 1HB ASP 34 2HB ASP 34 6.824 -5.889 -5.889 249 2HB ASP 34 1HB ASP 34 7.887 -5.173 -5.173 250 H ILE 35 H ILE 35 3.747 -5.749 -5.749 251 HA ILE 35 HA ILE 35 1.947 -5.235 -5.235 252 HB ILE 35 HB ILE 35 1.892 -3.804 -3.804 253 1HG1 ILE 35 2HG1 ILE 35 -0.650 -4.582 -4.582 254 2HG1 ILE 35 1HG1 ILE 35 -0.397 -5.414 -5.414 255 1HG2 ILE 35 2HG2 ILE 35 2.330 -6.146 -6.146 256 2HG2 ILE 35 1HG2 ILE 35 0.607 -5.902 -5.902 257 3HG2 ILE 35 3HG2 ILE 35 1.755 -4.656 -4.656 258 1HD1 ILE 35 1HD1 ILE 35 0.272 -2.489 -2.489 259 2HD1 ILE 35 3HD1 ILE 35 -1.322 -3.030 -3.030 260 3HD1 ILE 35 2HD1 ILE 35 0.097 -3.377 -3.377 261 H VAL 36 H VAL 36 1.183 -7.112 -7.112 262 HA VAL 36 HA VAL 36 0.751 -9.487 -9.487 263 HB VAL 36 HB VAL 36 1.379 -9.110 -9.110 264 1HG1 VAL 36 3HG1 VAL 36 -0.128 -11.237 -11.237 265 2HG1 VAL 36 2HG1 VAL 36 1.385 -11.857 -11.857 266 3HG1 VAL 36 1HG1 VAL 36 0.248 -11.008 -11.008 267 1HG2 VAL 36 3HG2 VAL 36 2.829 -9.855 -9.855 268 2HG2 VAL 36 2HG2 VAL 36 3.458 -9.320 -9.320 269 3HG2 VAL 36 1HG2 VAL 36 3.050 -11.018 -11.018 270 H GLY 37 H GLY 37 -0.596 -8.795 -8.795 271 1HA GLY 37 2HA GLY 37 -3.239 -9.650 -9.650 272 2HA GLY 37 1HA GLY 37 -2.820 -9.137 -9.137 273 H ASP 38 H ASP 38 -2.721 -7.511 -7.511 274 HA ASP 38 HA ASP 38 -4.304 -5.287 -5.287 275 1HB ASP 38 2HB ASP 38 -2.273 -5.104 -5.104 276 2HB ASP 38 1HB ASP 38 -2.953 -3.777 -3.777 277 H CYS 39 H CYS 39 -3.413 -6.386 -6.386 278 HA CYS 39 HA CYS 39 -6.286 -5.968 -5.968 279 1HB CYS 39 2HB CYS 39 -5.178 -5.959 -5.959 280 2HB CYS 39 1HB CYS 39 -5.022 -4.523 -4.523 281 H GLY 40 H GLY 40 -3.491 -8.068 -8.068 282 1HA GLY 40 2HA GLY 40 -3.512 -10.270 -10.270 283 2HA GLY 40 1HA GLY 40 -4.629 -10.545 -10.545 284 H GLY 41 H GLY 41 -4.980 -8.621 -8.621 285 1HA GLY 41 2HA GLY 41 -6.466 -8.952 -8.952 286 2HA GLY 41 1HA GLY 41 -6.954 -10.488 -10.488 287 H SER 42 H SER 42 -6.947 -7.619 -7.619 288 HA SER 42 HA SER 42 -9.942 -7.630 -7.630 289 1HB SER 42 2HB SER 42 -8.660 -8.433 -8.433 290 2HB SER 42 1HB SER 42 -8.145 -6.761 -6.761 291 HG SER 42 HG SER 42 -10.703 -7.905 -7.905 292 H ALA 43 H ALA 43 -7.041 -5.600 -5.600 293 HA ALA 43 HA ALA 43 -6.744 -3.368 -3.368 294 1HB ALA 43 1HB ALA 43 -8.526 -4.307 -4.307 295 2HB ALA 43 3HB ALA 43 -9.649 -3.314 -3.314 296 3HB ALA 43 2HB ALA 43 -8.280 -2.564 -2.564 297 H SER 44 H SER 44 -6.950 -3.476 -3.476 298 HA SER 44 HA SER 44 -8.895 -1.307 -1.307 299 1HB SER 44 2HB SER 44 -8.683 -2.691 -2.691 300 2HB SER 44 1HB SER 44 -9.886 -3.081 -3.081 301 HG SER 44 HG SER 44 -8.817 -4.840 -4.840 302 H CYS 45 H CYS 45 -5.765 -1.738 -1.738 303 HA CYS 45 HA CYS 45 -4.867 -0.417 -0.417 304 1HB CYS 45 2HB CYS 45 -2.637 -1.374 -1.374 305 2HB CYS 45 1HB CYS 45 -3.217 -1.914 -1.914 306 H ALA 46 H ALA 46 -4.282 1.634 1.634 307 HA ALA 46 HA ALA 46 -3.955 3.072 3.072 308 1HB ALA 46 2HB ALA 46 -4.982 3.844 3.844 309 2HB ALA 46 1HB ALA 46 -3.316 4.047 4.047 310 3HB ALA 46 3HB ALA 46 -3.922 4.981 4.981 311 H THR 47 H THR 47 -1.949 0.995 0.995 312 HA THR 47 HA THR 47 0.530 2.603 2.603 313 HB THR 47 HB THR 47 1.439 0.306 0.306 314 HG1 THR 47 1HG THR 47 -0.372 -0.903 -0.903 315 1HG2 THR 47 1HG2 THR 47 -0.642 1.798 1.798 316 2HG2 THR 47 3HG2 THR 47 0.559 0.691 0.691 317 3HG2 THR 47 2HG2 THR 47 1.074 2.192 2.192 318 H CYS 48 H CYS 48 -1.230 0.238 0.238 319 HA CYS 48 HA CYS 48 1.141 -0.291 -0.291 320 1HB CYS 48 2HB CYS 48 -1.457 -1.475 -1.475 321 2HB CYS 48 1HB CYS 48 0.100 -2.218 -2.218 322 H HIS 49 H HIS 49 -0.744 2.282 2.282 323 HA HIS 49 HA HIS 49 -2.100 2.620 2.620 324 1HB HIS 49 2HB HIS 49 -1.907 4.242 4.242 325 2HB HIS 49 1HB HIS 49 -0.303 4.668 4.668 326 HD1 HIS 49 1HD HIS 49 -1.603 7.111 7.111 327 HD2 HIS 49 2HD HIS 49 -2.657 4.048 4.048 328 HE1 HIS 49 1HE HIS 49 -2.770 8.204 8.204 329 H VAL 50 H VAL 50 -1.399 2.886 2.886 330 HA VAL 50 HA VAL 50 1.513 3.276 3.276 331 HB VAL 50 HB VAL 50 1.325 1.416 1.416 332 1HG1 VAL 50 2HG1 VAL 50 1.105 1.029 1.029 333 2HG1 VAL 50 1HG1 VAL 50 1.120 -0.391 -0.391 334 3HG1 VAL 50 3HG1 VAL 50 2.476 0.737 0.737 335 1HG2 VAL 50 2HG2 VAL 50 -1.246 1.629 1.629 336 2HG2 VAL 50 1HG2 VAL 50 -0.566 0.002 0.002 337 3HG2 VAL 50 3HG2 VAL 50 -1.154 0.629 0.629 338 H TYR 51 H TYR 51 1.924 3.960 3.960 339 HA TYR 51 HA TYR 51 -0.454 5.218 5.218 340 1HB TYR 51 2HB TYR 51 2.328 6.067 6.067 341 2HB TYR 51 1HB TYR 51 1.596 6.733 6.733 342 HD1 TYR 51 2HD TYR 51 -1.002 5.964 5.964 343 HD2 TYR 51 1HD TYR 51 2.094 8.871 8.871 344 HE1 TYR 51 2HE TYR 51 -2.270 7.642 7.642 345 HE2 TYR 51 1HE TYR 51 0.800 10.553 10.553 346 HH TYR 51 HH TYR 51 -1.838 9.713 9.713 347 H VAL 52 H VAL 52 -0.893 3.971 3.971 348 HA VAL 52 HA VAL 52 1.261 2.541 2.541 349 HB VAL 52 HB VAL 52 -1.679 2.772 2.772 350 1HG1 VAL 52 3HG1 VAL 52 0.142 1.727 1.727 351 2HG1 VAL 52 2HG1 VAL 52 0.151 0.412 0.412 352 3HG1 VAL 52 1HG1 VAL 52 -1.334 0.804 0.804 353 1HG2 VAL 52 1HG2 VAL 52 -0.440 1.620 1.620 354 2HG2 VAL 52 3HG2 VAL 52 -2.150 1.645 1.645 355 3HG2 VAL 52 2HG2 VAL 52 -1.109 0.339 0.339 356 H ASN 53 H ASN 53 1.496 2.979 2.979 357 HA ASN 53 HA ASN 53 1.477 5.893 5.893 358 1HB ASN 53 2HB ASN 53 2.540 5.158 5.158 359 2HB ASN 53 1HB ASN 53 3.312 4.349 4.349 360 1HD2 ASN 53 2HD2 ASN 53 2.044 1.192 1.192 361 2HD2 ASN 53 1HD2 ASN 53 2.829 2.101 2.101 362 H GLU 54 H GLU 54 -0.029 6.942 6.942 363 HA GLU 54 HA GLU 54 -2.615 6.106 6.106 364 1HB GLU 54 2HB GLU 54 -2.601 7.746 7.746 365 2HB GLU 54 1HB GLU 54 -1.712 8.345 8.345 366 1HG GLU 54 2HG GLU 54 0.317 7.129 7.129 367 2HG GLU 54 1HG GLU 54 -0.689 7.474 7.474 368 H ALA 55 H ALA 55 0.207 4.912 4.912 369 HA ALA 55 HA ALA 55 -1.201 3.937 3.937 370 1HB ALA 55 2HB ALA 55 1.445 4.133 4.133 371 2HB ALA 55 1HB ALA 55 1.176 2.450 2.450 372 3HB ALA 55 3HB ALA 55 0.956 3.729 3.729 373 H PHE 56 H PHE 56 0.091 2.180 2.180 374 HA PHE 56 HA PHE 56 -1.352 -0.250 -0.250 375 1HB PHE 56 2HB PHE 56 0.449 0.542 0.542 376 2HB PHE 56 1HB PHE 56 -0.280 -1.054 -1.054 377 HD1 PHE 56 1HD PHE 56 1.822 1.379 1.379 378 HD2 PHE 56 2HD PHE 56 0.730 -2.793 -2.793 379 HE1 PHE 56 1HE PHE 56 3.522 0.741 0.741 380 HE2 PHE 56 2HE PHE 56 2.430 -3.373 -3.373 381 HZ PHE 56 HZ PHE 56 3.828 -1.632 -1.632 382 H THR 57 H THR 57 -2.272 2.539 2.539 383 HA THR 57 HA THR 57 -3.968 1.241 1.241 384 HB THR 57 HB THR 57 -4.577 3.474 3.474 385 HG1 THR 57 1HG THR 57 -4.802 4.994 4.994 386 1HG2 THR 57 1HG2 THR 57 -1.818 2.914 2.914 387 2HG2 THR 57 3HG2 THR 57 -2.169 4.628 4.628 388 3HG2 THR 57 2HG2 THR 57 -2.480 3.854 3.854 389 H ASP 58 H ASP 58 -4.556 3.076 3.076 390 HA ASP 58 HA ASP 58 -7.377 2.663 2.663 391 1HB ASP 58 2HB ASP 58 -6.971 4.177 4.177 392 2HB ASP 58 1HB ASP 58 -5.247 3.852 3.852 393 H LYS 59 H LYS 59 -4.828 0.459 0.459 394 HA LYS 59 HA LYS 59 -6.093 -1.381 -1.381 395 1HB LYS 59 2HB LYS 59 -4.028 -1.967 -1.967 396 2HB LYS 59 1HB LYS 59 -4.217 -2.766 -2.766 397 1HG LYS 59 2HG LYS 59 -3.341 0.115 0.115 398 2HG LYS 59 1HG LYS 59 -2.288 -1.232 -1.232 399 1HD LYS 59 2HD LYS 59 -2.741 -0.421 -0.421 400 2HD LYS 59 1HD LYS 59 -4.075 -1.562 -1.562 401 1HE LYS 59 2HE LYS 59 -5.646 0.136 0.136 402 2HE LYS 59 1HE LYS 59 -4.401 1.295 1.295 403 1HZ LYS 59 1HZ LYS 59 -3.480 1.116 1.116 404 2HZ LYS 59 3HZ LYS 59 -4.857 0.229 0.229 405 3HZ LYS 59 2HZ LYS 59 -5.014 1.842 1.842 406 H VAL 60 H VAL 60 -5.278 -1.313 -1.313 407 HA VAL 60 HA VAL 60 -6.877 -3.604 -3.604 408 HB VAL 60 HB VAL 60 -4.518 -2.423 -2.423 409 1HG1 VAL 60 3HG1 VAL 60 -5.730 -0.493 -0.493 410 2HG1 VAL 60 2HG1 VAL 60 -6.234 -1.572 -1.572 411 3HG1 VAL 60 1HG1 VAL 60 -4.520 -1.245 -1.245 412 1HG2 VAL 60 3HG2 VAL 60 -6.209 -4.127 -4.127 413 2HG2 VAL 60 2HG2 VAL 60 -4.988 -4.634 -4.634 414 3HG2 VAL 60 1HG2 VAL 60 -4.503 -3.783 -3.783 415 HA PRO 61 HA PRO 61 -10.532 -1.345 -1.345 416 1HB PRO 61 2HB PRO 61 -11.439 -2.946 -2.946 417 2HB PRO 61 1HB PRO 61 -11.596 -3.347 -3.347 418 1HG PRO 61 2HG PRO 61 -9.544 -4.261 -4.261 419 2HG PRO 61 1HG PRO 61 -10.421 -5.202 -5.202 420 1HD PRO 61 2HD PRO 61 -7.899 -4.411 -4.411 421 2HD PRO 61 1HD PRO 61 -9.091 -4.433 -4.433 422 H ALA 62 H ALA 62 -11.518 -0.222 -0.222 423 HA ALA 62 HA ALA 62 -9.574 1.122 1.122 424 1HB ALA 62 2HB ALA 62 -11.966 1.623 1.623 425 2HB ALA 62 1HB ALA 62 -12.411 1.682 1.682 426 3HB ALA 62 3HB ALA 62 -11.138 2.738 2.738 427 H ALA 63 H ALA 63 -10.896 1.721 1.721 428 HA ALA 63 HA ALA 63 -11.125 -0.897 -0.897 429 1HB ALA 63 1HB ALA 63 -9.271 0.766 0.766 430 2HB ALA 63 3HB ALA 63 -10.521 1.861 1.861 431 3HB ALA 63 2HB ALA 63 -10.253 0.319 0.319 432 H ASN 64 H ASN 64 -12.552 -0.704 -0.704 433 HA ASN 64 HA ASN 64 -15.097 0.645 0.645 434 1HB ASN 64 2HB ASN 64 -16.069 -0.957 -0.957 435 2HB ASN 64 1HB ASN 64 -15.077 -1.795 -1.795 436 1HD2 ASN 64 2HD2 ASN 64 -14.071 -3.065 -3.065 437 2HD2 ASN 64 1HD2 ASN 64 -15.498 -3.084 -3.084 438 H GLU 65 H GLU 65 -16.118 0.545 0.545 439 HA GLU 65 HA GLU 65 -15.221 3.133 3.133 440 1HB GLU 65 2HB GLU 65 -16.953 2.790 2.790 441 2HB GLU 65 1HB GLU 65 -17.513 1.973 1.973 442 1HG GLU 65 2HG GLU 65 -17.800 0.162 0.162 443 2HG GLU 65 1HG GLU 65 -16.044 0.002 0.002 444 H ARG 66 H ARG 66 -14.166 -0.132 -0.132 445 HA ARG 66 HA ARG 66 -13.085 0.133 0.133 446 1HB ARG 66 2HB ARG 66 -13.153 -1.745 -1.745 447 2HB ARG 66 1HB ARG 66 -11.469 -1.545 -1.545 448 1HG ARG 66 2HG ARG 66 -13.799 -2.438 -2.438 449 2HG ARG 66 1HG ARG 66 -12.277 -3.275 -3.275 450 1HD ARG 66 2HD ARG 66 -11.626 -2.399 -2.399 451 2HD ARG 66 1HD ARG 66 -11.427 -0.882 -0.882 452 HE ARG 66 HE ARG 66 -14.165 -1.066 -1.066 453 1HH1 ARG 66 1HH2 ARG 66 -11.697 0.757 0.757 454 2HH1 ARG 66 2HH2 ARG 66 -12.091 0.827 0.827 455 1HH2 ARG 66 1HH1 ARG 66 -14.452 -1.706 -1.706 456 2HH2 ARG 66 2HH1 ARG 66 -13.650 -0.569 -0.569 457 H GLU 67 H GLU 67 -11.543 0.429 0.429 458 HA GLU 67 HA GLU 67 -8.979 1.291 1.291 459 1HB GLU 67 2HB GLU 67 -9.411 0.387 0.387 460 2HB GLU 67 1HB GLU 67 -10.599 1.644 1.644 461 1HG GLU 67 2HG GLU 67 -8.098 2.858 2.858 462 2HG GLU 67 1HG GLU 67 -7.821 1.707 1.707 463 H ILE 68 H ILE 68 -11.886 2.965 2.965 464 HA ILE 68 HA ILE 68 -10.756 5.605 5.605 465 HB ILE 68 HB ILE 68 -13.391 4.396 4.396 466 1HG1 ILE 68 2HG1 ILE 68 -14.104 5.330 5.330 467 2HG1 ILE 68 1HG1 ILE 68 -12.760 6.469 6.469 468 1HG2 ILE 68 1HG2 ILE 68 -13.062 6.421 6.421 469 2HG2 ILE 68 3HG2 ILE 68 -12.914 7.385 7.385 470 3HG2 ILE 68 2HG2 ILE 68 -14.422 6.538 6.538 471 1HD1 ILE 68 1HD1 ILE 68 -12.309 3.482 3.482 472 2HD1 ILE 68 3HD1 ILE 68 -12.574 4.407 4.407 473 3HD1 ILE 68 2HD1 ILE 68 -11.185 4.761 4.761 474 H GLY 69 H GLY 69 -11.065 3.564 3.564 475 1HA GLY 69 2HA GLY 69 -10.803 5.850 5.850 476 2HA GLY 69 1HA GLY 69 -10.960 4.162 4.162 477 H MET 70 H MET 70 -9.025 2.778 2.778 478 HA MET 70 HA MET 70 -6.690 3.769 3.769 479 1HB MET 70 2HB MET 70 -5.764 1.860 1.860 480 2HB MET 70 1HB MET 70 -6.202 1.563 1.563 481 1HG MET 70 2HG MET 70 -7.354 0.035 0.035 482 2HG MET 70 1HG MET 70 -8.519 1.075 1.075 483 1HE MET 70 3HE MET 70 -7.549 -0.688 -0.688 484 2HE MET 70 2HE MET 70 -8.919 -0.413 -0.413 485 3HE MET 70 1HE MET 70 -7.312 0.163 0.163 486 H LEU 71 H LEU 71 -7.623 3.913 3.913 487 HA LEU 71 HA LEU 71 -5.076 4.741 4.741 488 1HB LEU 71 2HB LEU 71 -7.205 3.739 3.739 489 2HB LEU 71 1HB LEU 71 -7.856 5.382 5.382 490 HG LEU 71 HG LEU 71 -5.629 4.288 4.288 491 1HD1 LEU 71 3HD1 LEU 71 -8.253 5.460 5.460 492 2HD1 LEU 71 2HD1 LEU 71 -7.049 6.415 6.415 493 3HD1 LEU 71 1HD1 LEU 71 -7.224 4.693 4.693 494 1HD2 LEU 71 3HD2 LEU 71 -5.897 7.151 7.151 495 2HD2 LEU 71 2HD2 LEU 71 -4.483 6.103 6.103 496 3HD2 LEU 71 1HD2 LEU 71 -4.997 6.685 6.685 497 H GLU 72 H GLU 72 -7.804 6.368 6.368 498 HA GLU 72 HA GLU 72 -6.808 9.067 9.067 499 1HB GLU 72 2HB GLU 72 -9.067 9.271 9.271 500 2HB GLU 72 1HB GLU 72 -9.211 7.726 7.726 501 1HG GLU 72 2HG GLU 72 -9.066 8.686 8.686 502 2HG GLU 72 1HG GLU 72 -8.119 10.066 10.066 503 H CYS 73 H CYS 73 -6.718 6.754 6.754 504 HA CYS 73 HA CYS 73 -6.082 8.363 8.363 505 1HB CYS 73 2HB CYS 73 -5.727 5.629 5.629 506 2HB CYS 73 1HB CYS 73 -4.332 6.144 6.144 507 HG CYS 73 HG CYS 73 -7.196 5.788 5.788 508 H VAL 74 H VAL 74 -3.887 7.199 7.199 509 HA VAL 74 HA VAL 74 -1.674 8.836 8.836 510 HB VAL 74 HB VAL 74 -0.485 7.766 7.766 511 1HG1 VAL 74 3HG1 VAL 74 -0.576 6.846 6.846 512 2HG1 VAL 74 2HG1 VAL 74 -1.875 5.787 5.787 513 3HG1 VAL 74 1HG1 VAL 74 -0.266 5.651 5.651 514 1HG2 VAL 74 3HG2 VAL 74 -2.753 7.427 7.427 515 2HG2 VAL 74 2HG2 VAL 74 -1.582 6.110 6.110 516 3HG2 VAL 74 1HG2 VAL 74 -2.939 6.015 6.015 517 H THR 75 H THR 75 -3.168 10.789 10.789 518 HA THR 75 HA THR 75 -3.984 11.751 11.751 519 HB THR 75 HB THR 75 -4.291 12.792 12.792 520 HG1 THR 75 1HG THR 75 -4.260 14.834 14.834 521 1HG2 THR 75 1HG2 THR 75 -1.440 12.655 12.655 522 2HG2 THR 75 3HG2 THR 75 -1.896 14.356 14.356 523 3HG2 THR 75 2HG2 THR 75 -2.496 13.209 13.209 524 H ALA 76 H ALA 76 -2.394 10.996 10.996 525 HA ALA 76 HA ALA 76 0.116 12.639 12.639 526 1HB ALA 76 1HB ALA 76 -0.555 9.873 9.873 527 2HB ALA 76 3HB ALA 76 0.954 10.709 10.709 528 3HB ALA 76 2HB ALA 76 0.569 10.270 10.270 529 H GLU 77 H GLU 77 -1.710 14.161 14.161 530 HA GLU 77 HA GLU 77 -2.822 15.044 15.044 531 1HB GLU 77 2HB GLU 77 -1.197 15.564 15.564 532 2HB GLU 77 1HB GLU 77 -0.330 15.531 15.531 533 1HG GLU 77 2HG GLU 77 -0.475 12.964 12.964 534 2HG GLU 77 1HG GLU 77 0.551 14.227 14.227 535 H LEU 78 H LEU 78 -3.772 12.591 12.591 536 HA LEU 78 HA LEU 78 -3.841 10.388 10.388 537 1HB LEU 78 2HB LEU 78 -5.693 12.049 12.049 538 2HB LEU 78 1HB LEU 78 -6.394 11.729 11.729 539 HG LEU 78 HG LEU 78 -6.150 9.324 9.324 540 1HD1 LEU 78 3HD1 LEU 78 -4.238 10.159 10.159 541 2HD1 LEU 78 2HD1 LEU 78 -5.473 9.211 9.211 542 3HD1 LEU 78 1HD1 LEU 78 -4.598 8.518 8.518 543 1HD2 LEU 78 2HD2 LEU 78 -7.533 10.970 10.970 544 2HD2 LEU 78 1HD2 LEU 78 -8.219 9.903 9.903 545 3HD2 LEU 78 3HD2 LEU 78 -7.481 9.223 9.223 546 H LYS 79 H LYS 79 -4.096 9.639 9.639 547 HA LYS 79 HA LYS 79 -4.334 11.702 11.702 548 1HB LYS 79 2HB LYS 79 -3.181 8.943 8.943 549 2HB LYS 79 1HB LYS 79 -2.779 10.426 10.426 550 1HG LYS 79 2HG LYS 79 -2.152 10.807 10.807 551 2HG LYS 79 1HG LYS 79 -1.437 9.289 9.289 552 1HD LYS 79 2HD LYS 79 0.221 10.566 10.566 553 2HD LYS 79 1HD LYS 79 -0.921 10.955 10.955 554 1HE LYS 79 2HE LYS 79 -1.783 12.826 12.826 555 2HE LYS 79 1HE LYS 79 -0.326 12.547 12.547 556 1HZ LYS 79 1HZ LYS 79 -0.340 13.044 13.044 557 2HZ LYS 79 3HZ LYS 79 0.046 14.209 14.209 558 3HZ LYS 79 2HZ LYS 79 1.035 12.841 12.841 559 HA PRO 80 HA PRO 80 -7.881 9.588 9.588 560 1HB PRO 80 2HB PRO 80 -7.387 9.302 9.302 561 2HB PRO 80 1HB PRO 80 -7.815 10.858 10.858 562 1HG PRO 80 2HG PRO 80 -5.141 9.801 9.801 563 2HG PRO 80 1HG PRO 80 -5.801 11.438 11.438 564 1HD PRO 80 2HD PRO 80 -4.065 10.750 10.750 565 2HD PRO 80 1HD PRO 80 -5.312 11.997 11.997 566 H ASN 81 H ASN 81 -4.749 8.266 8.266 567 HA ASN 81 HA ASN 81 -5.897 5.549 5.549 568 1HB ASN 81 2HB ASN 81 -3.534 5.106 5.106 569 2HB ASN 81 1HB ASN 81 -4.341 6.374 6.374 570 1HD2 ASN 81 2HD2 ASN 81 -0.960 7.628 7.628 571 2HD2 ASN 81 1HD2 ASN 81 -1.504 6.307 6.307 572 H SER 82 H SER 82 -4.550 7.440 7.440 573 HA SER 82 HA SER 82 -2.807 5.811 5.811 574 1HB SER 82 2HB SER 82 -5.160 7.496 7.496 575 2HB SER 82 1HB SER 82 -3.852 6.970 6.970 576 HG SER 82 HG SER 82 -2.623 7.972 7.972 577 H ARG 83 H ARG 83 -3.125 4.209 4.209 578 HA ARG 83 HA ARG 83 -5.707 3.162 3.162 579 1HB ARG 83 2HB ARG 83 -4.615 2.415 2.415 580 2HB ARG 83 1HB ARG 83 -4.580 0.993 0.993 581 1HG ARG 83 2HG ARG 83 -6.781 0.727 0.727 582 2HG ARG 83 1HG ARG 83 -7.060 2.273 2.273 583 1HD ARG 83 2HD ARG 83 -7.938 2.864 2.864 584 2HD ARG 83 1HD ARG 83 -6.234 3.105 3.105 585 HE ARG 83 HE ARG 83 -6.873 0.333 0.333 586 1HH1 ARG 83 1HH2 ARG 83 -8.137 3.243 3.243 587 2HH1 ARG 83 2HH2 ARG 83 -8.122 2.701 2.701 588 1HH2 ARG 83 1HH1 ARG 83 -6.575 -0.314 -0.314 589 2HH2 ARG 83 2HH1 ARG 83 -7.238 0.688 0.688 590 H LEU 84 H LEU 84 -5.505 1.197 1.197 591 HA LEU 84 HA LEU 84 -3.040 1.134 1.134 592 1HB LEU 84 2HB LEU 84 -5.800 0.428 0.428 593 2HB LEU 84 1HB LEU 84 -4.865 -1.044 -1.044 594 HG LEU 84 HG LEU 84 -4.660 1.527 1.527 595 1HD1 LEU 84 1HD1 LEU 84 -5.963 -1.004 -1.004 596 2HD1 LEU 84 3HD1 LEU 84 -4.702 -0.898 -0.898 597 3HD1 LEU 84 2HD1 LEU 84 -5.952 0.348 0.348 598 1HD2 LEU 84 3HD2 LEU 84 -2.507 -0.083 -0.083 599 2HD2 LEU 84 2HD2 LEU 84 -2.551 0.995 0.995 600 3HD2 LEU 84 1HD2 LEU 84 -2.975 -0.711 -0.711 601 H SER 85 H SER 85 -1.426 -0.458 -0.458 602 HA SER 85 HA SER 85 -0.772 -1.957 -1.957 603 1HB SER 85 2HB SER 85 -0.539 -2.821 -2.821 604 2HB SER 85 1HB SER 85 0.445 -3.401 -3.401 605 HG SER 85 HG SER 85 1.593 -1.648 -1.648 606 H CYS 86 H CYS 86 -3.155 -2.540 -2.540 607 HA CYS 86 HA CYS 86 -3.879 -5.253 -5.253 608 1HB CYS 86 2HB CYS 86 -5.702 -4.643 -4.643 609 2HB CYS 86 1HB CYS 86 -4.107 -5.274 -5.274 610 H GLN 87 H GLN 87 -4.444 -3.009 -3.009 611 HA GLN 87 HA GLN 87 -7.420 -3.245 -3.245 612 1HB GLN 87 2HB GLN 87 -6.431 -0.994 -0.994 613 2HB GLN 87 1HB GLN 87 -5.849 -0.898 -0.898 614 1HG GLN 87 2HG GLN 87 -8.077 0.211 0.211 615 2HG GLN 87 1HG GLN 87 -8.111 -1.079 -1.079 616 1HE2 GLN 87 2HE2 GLN 87 -9.457 -2.460 -2.460 617 2HE2 GLN 87 1HE2 GLN 87 -7.886 -1.834 -1.834 618 H ILE 88 H ILE 88 -4.607 -2.795 -2.795 619 HA ILE 88 HA ILE 88 -6.255 -3.466 -3.466 620 HB ILE 88 HB ILE 88 -3.307 -3.027 -3.027 621 1HG1 ILE 88 2HG1 ILE 88 -5.361 -0.885 -0.885 622 2HG1 ILE 88 1HG1 ILE 88 -3.936 -1.301 -1.301 623 1HG2 ILE 88 2HG2 ILE 88 -5.337 -3.258 -3.258 624 2HG2 ILE 88 1HG2 ILE 88 -5.147 -1.511 -1.511 625 3HG2 ILE 88 3HG2 ILE 88 -3.768 -2.515 -2.515 626 1HD1 ILE 88 3HD1 ILE 88 -3.755 -0.333 -0.333 627 2HD1 ILE 88 2HD1 ILE 88 -3.697 0.762 0.762 628 3HD1 ILE 88 1HD1 ILE 88 -2.452 -0.469 -0.469 629 H ILE 89 H ILE 89 -5.692 -5.140 -5.140 630 HA ILE 89 HA ILE 89 -4.224 -7.424 -7.424 631 HB ILE 89 HB ILE 89 -6.546 -7.150 -7.150 632 1HG1 ILE 89 2HG1 ILE 89 -7.234 -7.159 -7.159 633 2HG1 ILE 89 1HG1 ILE 89 -7.528 -8.794 -8.794 634 1HG2 ILE 89 2HG2 ILE 89 -4.925 -8.835 -8.835 635 2HG2 ILE 89 1HG2 ILE 89 -5.050 -9.696 -9.696 636 3HG2 ILE 89 3HG2 ILE 89 -6.461 -9.551 -9.551 637 1HD1 ILE 89 1HD1 ILE 89 -5.196 -9.374 -9.374 638 2HD1 ILE 89 3HD1 ILE 89 -5.250 -7.826 -7.826 639 3HD1 ILE 89 2HD1 ILE 89 -6.442 -9.073 -9.073 640 H MET 90 H MET 90 -2.956 -8.733 -8.733 641 HA MET 90 HA MET 90 -1.873 -7.008 -7.008 642 1HB MET 90 2HB MET 90 -0.618 -8.085 -8.085 643 2HB MET 90 1HB MET 90 -0.448 -9.423 -9.423 644 1HG MET 90 2HG MET 90 1.473 -7.879 -7.879 645 2HG MET 90 1HG MET 90 0.544 -7.901 -7.901 646 1HE MET 90 3HE MET 90 0.599 -6.379 -6.379 647 2HE MET 90 2HE MET 90 -0.422 -4.954 -4.954 648 3HE MET 90 1HE MET 90 1.320 -4.815 -4.815 649 H THR 91 H THR 91 -2.722 -7.621 -7.621 650 HA THR 91 HA THR 91 -3.564 -10.431 -10.431 651 HB THR 91 HB THR 91 -4.106 -9.072 -9.072 652 HG1 THR 91 1HG THR 91 -4.422 -7.119 -7.119 653 1HG2 THR 91 2HG2 THR 91 -5.657 -8.926 -8.926 654 2HG2 THR 91 1HG2 THR 91 -6.327 -8.616 -8.616 655 3HG2 THR 91 3HG2 THR 91 -5.745 -10.229 -10.229 656 HA PRO 92 HA PRO 92 -0.088 -11.510 -11.510 657 1HB PRO 92 2HB PRO 92 -1.212 -12.941 -12.941 658 2HB PRO 92 1HB PRO 92 -1.086 -13.556 -13.556 659 1HG PRO 92 2HG PRO 92 -3.428 -12.403 -12.403 660 2HG PRO 92 1HG PRO 92 -3.354 -13.721 -13.721 661 1HD PRO 92 2HD PRO 92 -4.160 -11.167 -11.167 662 2HD PRO 92 1HD PRO 92 -3.483 -12.302 -12.302 663 H GLU 93 H GLU 93 -2.728 -9.834 -9.834 664 HA GLU 93 HA GLU 93 -1.046 -9.133 -9.133 665 1HB GLU 93 2HB GLU 93 -3.190 -7.955 -7.955 666 2HB GLU 93 1HB GLU 93 -3.374 -9.685 -9.685 667 1HG GLU 93 2HG GLU 93 -3.714 -8.261 -8.261 668 2HG GLU 93 1HG GLU 93 -4.786 -7.581 -7.581 669 H LEU 94 H LEU 94 -2.180 -7.755 -7.755 670 HA LEU 94 HA LEU 94 -1.252 -5.028 -5.028 671 1HB LEU 94 2HB LEU 94 -2.406 -6.070 -6.070 672 2HB LEU 94 1HB LEU 94 -2.388 -4.409 -4.409 673 HG LEU 94 HG LEU 94 -4.033 -6.731 -6.731 674 1HD1 LEU 94 1HD1 LEU 94 -4.515 -3.960 -3.960 675 2HD1 LEU 94 3HD1 LEU 94 -5.740 -4.756 -4.756 676 3HD1 LEU 94 2HD1 LEU 94 -5.222 -5.485 -5.485 677 1HD2 LEU 94 2HD2 LEU 94 -2.849 -5.618 -5.618 678 2HD2 LEU 94 1HD2 LEU 94 -4.607 -5.462 -5.462 679 3HD2 LEU 94 3HD2 LEU 94 -3.616 -4.103 -4.103 680 H ASP 95 H ASP 95 0.810 -6.762 -6.762 681 HA ASP 95 HA ASP 95 2.108 -6.670 -6.670 682 1HB ASP 95 2HB ASP 95 3.671 -8.246 -8.246 683 2HB ASP 95 1HB ASP 95 2.004 -8.792 -8.792 684 H GLY 96 H GLY 96 4.211 -5.829 -5.829 685 1HA GLY 96 2HA GLY 96 6.194 -4.632 -4.632 686 2HA GLY 96 1HA GLY 96 5.293 -4.160 -4.160 687 H ILE 97 H ILE 97 3.795 -4.043 -4.043 688 HA ILE 97 HA ILE 97 3.094 -1.296 -1.296 689 HB ILE 97 HB ILE 97 1.599 -2.878 -2.878 690 1HG1 ILE 97 2HG1 ILE 97 2.406 -0.972 -0.972 691 2HG1 ILE 97 1HG1 ILE 97 1.769 -0.353 -0.353 692 1HG2 ILE 97 2HG2 ILE 97 3.717 -2.960 -2.960 693 2HG2 ILE 97 1HG2 ILE 97 2.112 -3.679 -3.679 694 3HG2 ILE 97 3HG2 ILE 97 3.257 -4.293 -4.293 695 1HD1 ILE 97 1HD1 ILE 97 0.074 -2.481 -2.481 696 2HD1 ILE 97 3HD1 ILE 97 0.340 -1.545 -1.545 697 3HD1 ILE 97 2HD1 ILE 97 -0.301 -0.759 -0.759 698 H VAL 98 H VAL 98 3.442 0.419 0.419 699 HA VAL 98 HA VAL 98 6.036 0.535 0.535 700 HB VAL 98 HB VAL 98 4.607 2.750 2.750 701 1HG1 VAL 98 2HG1 VAL 98 7.109 2.452 2.452 702 2HG1 VAL 98 1HG1 VAL 98 7.375 3.089 3.089 703 3HG1 VAL 98 3HG1 VAL 98 6.280 3.920 3.920 704 1HG2 VAL 98 2HG2 VAL 98 6.302 0.496 0.496 705 2HG2 VAL 98 1HG2 VAL 98 4.992 1.364 1.364 706 3HG2 VAL 98 3HG2 VAL 98 6.594 2.094 2.094 707 H VAL 99 H VAL 99 4.920 0.251 0.251 708 HA VAL 99 HA VAL 99 2.967 2.416 2.416 709 HB VAL 99 HB VAL 99 1.872 0.485 0.485 710 1HG1 VAL 99 2HG1 VAL 99 4.567 -0.618 -0.618 711 2HG1 VAL 99 1HG1 VAL 99 3.030 -1.499 -1.499 712 3HG1 VAL 99 3HG1 VAL 99 3.601 -1.038 -1.038 713 1HG2 VAL 99 1HG2 VAL 99 3.616 1.056 1.056 714 2HG2 VAL 99 3HG2 VAL 99 1.973 1.648 1.648 715 3HG2 VAL 99 2HG2 VAL 99 2.246 -0.072 -0.072 716 H ASP 100 H ASP 100 3.100 3.169 3.169 717 HA ASP 100 HA ASP 100 5.926 3.461 3.461 718 1HB ASP 100 2HB ASP 100 4.134 5.846 5.846 719 2HB ASP 100 1HB ASP 100 5.890 5.803 5.803 720 H VAL 101 H VAL 101 6.028 4.807 4.807 721 HA VAL 101 HA VAL 101 3.790 4.047 4.047 722 HB VAL 101 HB VAL 101 6.625 4.924 4.924 723 1HG1 VAL 101 2HG1 VAL 101 4.462 4.644 4.644 724 2HG1 VAL 101 1HG1 VAL 101 5.149 3.022 3.022 725 3HG1 VAL 101 3HG1 VAL 101 6.133 4.415 4.415 726 1HG2 VAL 101 1HG2 VAL 101 5.769 2.551 2.551 727 2HG2 VAL 101 3HG2 VAL 101 7.379 2.921 2.921 728 3HG2 VAL 101 2HG2 VAL 101 6.205 2.101 2.101 729 HA PRO 102 HA PRO 102 2.991 8.462 8.462 730 1HB PRO 102 2HB PRO 102 0.670 8.386 8.386 731 2HB PRO 102 1HB PRO 102 0.775 7.937 7.937 732 1HG PRO 102 2HG PRO 102 0.712 6.189 6.189 733 2HG PRO 102 1HG PRO 102 -0.099 5.982 5.982 734 1HD PRO 102 2HD PRO 102 2.164 4.648 4.648 735 2HD PRO 102 1HD PRO 102 1.771 5.112 5.112 736 H ASP 103 H ASP 103 3.955 6.620 6.620 737 HA ASP 103 HA ASP 103 3.300 8.111 8.111 738 1HB ASP 103 2HB ASP 103 5.360 6.230 6.230 739 2HB ASP 103 1HB ASP 103 5.930 7.328 7.328 740 H ARG 104 H ARG 104 3.248 10.345 10.345 741 HA ARG 104 HA ARG 104 5.918 11.581 11.581 742 1HB ARG 104 2HB ARG 104 4.526 13.494 13.494 743 2HB ARG 104 1HB ARG 104 4.413 11.992 11.992 744 1HG ARG 104 2HG ARG 104 2.181 12.912 12.912 745 2HG ARG 104 1HG ARG 104 2.308 11.446 11.446 746 1HD ARG 104 2HD ARG 104 3.100 13.956 13.956 747 2HD ARG 104 1HD ARG 104 1.374 13.789 13.789 748 HE ARG 104 HE ARG 104 2.789 11.493 11.493 749 1HH1 ARG 104 1HH1 ARG 104 1.331 14.358 14.358 750 2HH1 ARG 104 2HH1 ARG 104 0.154 13.630 13.630 751 1HH2 ARG 104 1HH2 ARG 104 0.901 10.390 10.390 752 2HH2 ARG 104 2HH2 ARG 104 -0.088 11.379 11.379 753 H GLN 105 H GLN 105 5.579 14.139 14.139 754 HA GLN 105 HA GLN 105 4.814 13.970 13.970 755 1HB GLN 105 2HB GLN 105 7.266 14.098 14.098 756 2HB GLN 105 1HB GLN 105 6.948 15.676 15.676 757 1HG GLN 105 2HG GLN 105 7.752 15.961 15.961 758 2HG GLN 105 1HG GLN 105 6.067 16.472 16.472 759 1HE2 GLN 105 2HE2 GLN 105 6.056 14.349 14.349 760 2HE2 GLN 105 1HE2 GLN 105 6.501 15.921 15.921 761 H TRP 106 H TRP 106 2.794 14.990 14.990 762 HA TRP 106 HA TRP 106 2.768 17.825 17.825 763 1HB TRP 106 2HB TRP 106 1.613 15.666 15.666 764 2HB TRP 106 1HB TRP 106 0.265 16.381 16.381 765 HD1 TRP 106 HD TRP 106 0.702 16.578 16.578 766 HE1 TRP 106 1HE TRP 106 0.765 18.922 18.922 767 HE3 TRP 106 3HE TRP 106 1.834 19.393 19.393 768 HZ2 TRP 106 2HZ TRP 106 1.233 21.635 21.635 769 HZ3 TRP 106 3HZ TRP 106 2.082 21.853 21.853 770 HH2 TRP 106 HH TRP 106 1.783 22.975 22.975 Start of MODEL 5 1 1H SER 1 3HT SER 1 3.501 -11.229 -11.229 2 2H SER 1 2HT SER 1 2.530 -10.339 -10.339 3 3H SER 1 1HT SER 1 1.842 -11.053 -11.053 4 HA SER 1 HA SER 1 2.972 -9.548 -9.548 5 1HB SER 1 2HB SER 1 1.181 -8.248 -8.248 6 2HB SER 1 1HB SER 1 1.233 -8.798 -8.798 7 HG SER 1 HG SER 1 1.645 -6.486 -6.486 8 H LYS 2 H LYS 2 4.376 -7.606 -7.606 9 HA LYS 2 HA LYS 2 6.748 -7.823 -7.823 10 1HB LYS 2 2HB LYS 2 5.920 -6.635 -6.635 11 2HB LYS 2 1HB LYS 2 7.049 -5.637 -5.637 12 1HG LYS 2 2HG LYS 2 7.952 -8.339 -8.339 13 2HG LYS 2 1HG LYS 2 7.614 -7.987 -7.987 14 1HD LYS 2 2HD LYS 2 9.224 -6.334 -6.334 15 2HD LYS 2 1HD LYS 2 9.088 -5.927 -5.927 16 1HE LYS 2 2HE LYS 2 10.263 -7.997 -7.997 17 2HE LYS 2 1HE LYS 2 10.359 -8.465 -8.465 18 1HZ LYS 2 1HZ LYS 2 11.453 -6.278 -6.278 19 2HZ LYS 2 3HZ LYS 2 11.547 -6.061 -6.061 20 3HZ LYS 2 2HZ LYS 2 12.375 -7.349 -7.349 21 H VAL 3 H VAL 3 6.438 -6.847 -6.847 22 HA VAL 3 HA VAL 3 4.848 -4.313 -4.313 23 HB VAL 3 HB VAL 3 5.340 -6.637 -6.637 24 1HG1 VAL 3 2HG1 VAL 3 4.901 -3.796 -3.796 25 2HG1 VAL 3 1HG1 VAL 3 4.199 -5.119 -5.119 26 3HG1 VAL 3 3HG1 VAL 3 5.946 -5.026 -5.026 27 1HG2 VAL 3 3HG2 VAL 3 2.952 -4.917 -4.917 28 2HG2 VAL 3 2HG2 VAL 3 3.305 -6.533 -6.533 29 3HG2 VAL 3 1HG2 VAL 3 2.891 -6.307 -6.307 30 H VAL 4 H VAL 4 5.839 -2.431 -2.431 31 HA VAL 4 HA VAL 4 8.609 -2.631 -2.631 32 HB VAL 4 HB VAL 4 7.422 -0.728 -0.728 33 1HG1 VAL 4 3HG1 VAL 4 9.591 -0.343 -0.343 34 2HG1 VAL 4 2HG1 VAL 4 10.270 -0.543 -0.543 35 3HG1 VAL 4 1HG1 VAL 4 9.075 0.717 0.717 36 1HG2 VAL 4 3HG2 VAL 4 8.993 -3.201 -3.201 37 2HG2 VAL 4 2HG2 VAL 4 7.978 -2.418 -2.418 38 3HG2 VAL 4 1HG2 VAL 4 9.634 -1.867 -1.867 39 H TYR 5 H TYR 5 8.459 -2.126 -2.126 40 HA TYR 5 HA TYR 5 6.587 -0.139 -0.139 41 1HB TYR 5 2HB TYR 5 8.851 -1.759 -1.759 42 2HB TYR 5 1HB TYR 5 7.712 -0.821 -0.821 43 HD1 TYR 5 2HD TYR 5 5.542 -1.548 -1.548 44 HD2 TYR 5 1HD TYR 5 8.053 -3.771 -3.771 45 HE1 TYR 5 2HE TYR 5 3.845 -3.350 -3.350 46 HE2 TYR 5 1HE TYR 5 6.388 -5.565 -5.565 47 HH TYR 5 HH TYR 5 4.112 -6.080 -6.080 48 H VAL 6 H VAL 6 7.025 1.948 1.948 49 HA VAL 6 HA VAL 6 9.940 2.773 2.773 50 HB VAL 6 HB VAL 6 7.612 4.522 4.522 51 1HG1 VAL 6 3HG1 VAL 6 10.011 5.378 5.378 52 2HG1 VAL 6 2HG1 VAL 6 10.469 4.574 4.574 53 3HG1 VAL 6 1HG1 VAL 6 9.278 5.873 5.873 54 1HG2 VAL 6 3HG2 VAL 6 7.656 2.382 2.382 55 2HG2 VAL 6 2HG2 VAL 6 7.920 3.832 3.832 56 3HG2 VAL 6 1HG2 VAL 6 9.286 2.805 2.805 57 H SER 7 H SER 7 10.623 3.940 3.940 58 HA SER 7 HA SER 7 8.736 4.374 4.374 59 1HB SER 7 2HB SER 7 10.704 4.138 4.138 60 2HB SER 7 1HB SER 7 11.553 4.121 4.121 61 HG SER 7 HG SER 7 12.323 5.955 5.955 62 H HIS 8 H HIS 8 9.517 6.803 6.803 63 HA HIS 8 HA HIS 8 8.464 8.686 8.686 64 1HB HIS 8 2HB HIS 8 8.349 10.161 10.161 65 2HB HIS 8 1HB HIS 8 7.173 8.886 8.886 66 HD1 HIS 8 1HD HIS 8 6.880 7.432 7.432 67 HD2 HIS 8 2HD HIS 8 10.698 9.060 9.060 68 HE1 HIS 8 1HE HIS 8 8.034 6.563 6.563 69 H ASP 9 H ASP 9 11.371 7.691 7.691 70 HA ASP 9 HA ASP 9 12.706 10.313 10.313 71 1HB ASP 9 2HB ASP 9 14.436 9.427 9.427 72 2HB ASP 9 1HB ASP 9 12.943 8.847 8.847 73 H GLY 10 H GLY 10 11.999 7.453 7.453 74 1HA GLY 10 2HA GLY 10 12.687 7.317 7.317 75 2HA GLY 10 1HA GLY 10 14.262 7.937 7.937 76 H THR 11 H THR 11 12.845 5.552 5.552 77 HA THR 11 HA THR 11 14.968 3.670 3.670 78 HB THR 11 HB THR 11 13.450 4.396 4.396 79 HG1 THR 11 1HG THR 11 15.327 3.907 3.907 80 1HG2 THR 11 1HG2 THR 11 12.058 2.356 2.356 81 2HG2 THR 11 3HG2 THR 11 13.494 1.398 1.398 82 3HG2 THR 11 2HG2 THR 11 12.703 2.313 2.313 83 H ARG 12 H ARG 12 14.407 1.492 1.492 84 HA ARG 12 HA ARG 12 11.628 1.258 1.258 85 1HB ARG 12 2HB ARG 12 14.271 1.209 1.209 86 2HB ARG 12 1HB ARG 12 13.205 -0.103 -0.103 87 1HG ARG 12 2HG ARG 12 11.418 1.569 1.569 88 2HG ARG 12 1HG ARG 12 12.548 2.858 2.858 89 1HD ARG 12 2HD ARG 12 13.247 0.808 0.808 90 2HD ARG 12 1HD ARG 12 12.324 2.271 2.271 91 HE ARG 12 HE ARG 12 14.395 3.285 3.285 92 1HH1 ARG 12 1HH2 ARG 12 16.418 1.452 1.452 93 2HH1 ARG 12 2HH2 ARG 12 16.994 1.720 1.720 94 1HH2 ARG 12 1HH1 ARG 12 14.181 3.487 3.487 95 2HH2 ARG 12 2HH1 ARG 12 15.728 2.872 2.872 96 H ARG 13 H ARG 13 10.646 -0.728 -0.728 97 HA ARG 13 HA ARG 13 12.263 -3.104 -3.104 98 1HB ARG 13 2HB ARG 13 11.007 -1.585 -1.585 99 2HB ARG 13 1HB ARG 13 9.643 -2.582 -2.582 100 1HG ARG 13 2HG ARG 13 10.443 -4.392 -4.392 101 2HG ARG 13 1HG ARG 13 12.054 -4.171 -4.171 102 1HD ARG 13 2HD ARG 13 12.647 -2.568 -2.568 103 2HD ARG 13 1HD ARG 13 10.985 -2.551 -2.551 104 HE ARG 13 HE ARG 13 11.376 -5.092 -5.092 105 1HH1 ARG 13 1HH2 ARG 13 14.259 -4.844 -4.844 106 2HH1 ARG 13 2HH2 ARG 13 15.116 -4.785 -4.785 107 1HH2 ARG 13 1HH1 ARG 13 12.292 -4.084 -4.084 108 2HH2 ARG 13 2HH1 ARG 13 14.002 -4.355 -4.355 109 H GLU 14 H GLU 14 11.575 -3.261 -3.261 110 HA GLU 14 HA GLU 14 8.835 -3.740 -3.740 111 1HB GLU 14 2HB GLU 14 11.276 -4.911 -4.911 112 2HB GLU 14 1HB GLU 14 9.774 -4.373 -4.373 113 1HG GLU 14 2HG GLU 14 10.377 -2.028 -2.028 114 2HG GLU 14 1HG GLU 14 11.992 -2.684 -2.684 115 H LEU 15 H LEU 15 7.645 -5.617 -5.617 116 HA LEU 15 HA LEU 15 8.898 -8.023 -8.023 117 1HB LEU 15 2HB LEU 15 6.220 -6.701 -6.701 118 2HB LEU 15 1HB LEU 15 6.238 -8.455 -8.455 119 HG LEU 15 HG LEU 15 7.572 -6.482 -6.482 120 1HD1 LEU 15 3HD1 LEU 15 5.028 -7.379 -7.379 121 2HD1 LEU 15 2HD1 LEU 15 5.830 -8.729 -8.729 122 3HD1 LEU 15 1HD1 LEU 15 5.956 -7.130 -7.130 123 1HD2 LEU 15 1HD2 LEU 15 8.793 -8.778 -8.778 124 2HD2 LEU 15 3HD2 LEU 15 8.655 -8.196 -8.196 125 3HD2 LEU 15 2HD2 LEU 15 7.523 -9.426 -9.426 126 H ASP 16 H ASP 16 8.584 -10.043 -10.043 127 HA ASP 16 HA ASP 16 7.598 -9.983 -9.983 128 1HB ASP 16 2HB ASP 16 9.166 -12.056 -12.056 129 2HB ASP 16 1HB ASP 16 8.833 -12.140 -12.140 130 H VAL 17 H VAL 17 5.364 -9.912 -9.912 131 HA VAL 17 HA VAL 17 4.374 -12.123 -12.123 132 HB VAL 17 HB VAL 17 3.354 -9.492 -9.492 133 1HG1 VAL 17 2HG1 VAL 17 1.484 -11.094 -11.094 134 2HG1 VAL 17 1HG1 VAL 17 1.801 -11.550 -11.550 135 3HG1 VAL 17 3HG1 VAL 17 1.256 -9.919 -9.919 136 1HG2 VAL 17 3HG2 VAL 17 4.850 -10.106 -10.106 137 2HG2 VAL 17 2HG2 VAL 17 3.747 -8.732 -8.732 138 3HG2 VAL 17 1HG2 VAL 17 3.225 -10.242 -10.242 139 H ALA 18 H ALA 18 2.172 -13.015 -13.015 140 HA ALA 18 HA ALA 18 2.275 -13.737 -13.737 141 1HB ALA 18 2HB ALA 18 2.671 -15.506 -15.506 142 2HB ALA 18 1HB ALA 18 1.046 -15.206 -15.206 143 3HB ALA 18 3HB ALA 18 1.263 -15.834 -15.834 144 H ASP 19 H ASP 19 -0.380 -15.058 -15.058 145 HA ASP 19 HA ASP 19 -2.080 -12.661 -12.661 146 1HB ASP 19 2HB ASP 19 -3.222 -14.037 -14.037 147 2HB ASP 19 1HB ASP 19 -1.581 -14.678 -14.678 148 H GLY 20 H GLY 20 -3.500 -12.160 -12.160 149 1HA GLY 20 2HA GLY 20 -5.389 -12.827 -12.827 150 2HA GLY 20 1HA GLY 20 -4.557 -14.354 -14.354 151 H VAL 21 H VAL 21 -2.261 -11.959 -11.959 152 HA VAL 21 HA VAL 21 -2.312 -11.829 -11.829 153 HB VAL 21 HB VAL 21 -0.241 -11.873 -11.873 154 1HG1 VAL 21 1HG1 VAL 21 0.059 -10.624 -10.624 155 2HG1 VAL 21 3HG1 VAL 21 1.442 -11.182 -11.182 156 3HG1 VAL 21 2HG1 VAL 21 0.413 -9.891 -9.891 157 1HG2 VAL 21 2HG2 VAL 21 -1.079 -13.541 -13.541 158 2HG2 VAL 21 1HG2 VAL 21 0.111 -13.901 -13.901 159 3HG2 VAL 21 3HG2 VAL 21 0.614 -13.079 -13.079 160 H SER 22 H SER 22 -1.256 -9.811 -9.811 161 HA SER 22 HA SER 22 -2.106 -7.349 -7.349 162 1HB SER 22 2HB SER 22 -1.878 -6.956 -6.956 163 2HB SER 22 1HB SER 22 -3.330 -6.895 -6.895 164 HG SER 22 HG SER 22 -3.806 -8.581 -8.581 165 H LEU 23 H LEU 23 -0.769 -5.380 -5.380 166 HA LEU 23 HA LEU 23 2.073 -6.036 -6.036 167 1HB LEU 23 2HB LEU 23 0.800 -3.456 -3.456 168 2HB LEU 23 1HB LEU 23 2.375 -3.646 -3.646 169 HG LEU 23 HG LEU 23 -0.340 -3.977 -3.977 170 1HD1 LEU 23 3HD1 LEU 23 1.228 -1.764 -1.764 171 2HD1 LEU 23 2HD1 LEU 23 1.845 -2.419 -2.419 172 3HD1 LEU 23 1HD1 LEU 23 0.133 -2.027 -2.027 173 1HD2 LEU 23 2HD2 LEU 23 2.265 -5.198 -5.198 174 2HD2 LEU 23 1HD2 LEU 23 0.643 -5.660 -5.660 175 3HD2 LEU 23 3HD2 LEU 23 1.492 -4.353 -4.353 176 H MET 24 H MET 24 -0.112 -6.260 -6.260 177 HA MET 24 HA MET 24 1.768 -5.578 -5.578 178 1HB MET 24 2HB MET 24 -0.342 -4.941 -4.941 179 2HB MET 24 1HB MET 24 -1.109 -6.125 -6.125 180 1HG MET 24 2HG MET 24 -1.270 -7.666 -7.666 181 2HG MET 24 1HG MET 24 0.336 -7.302 -7.302 182 1HE MET 24 1HE MET 24 1.003 -5.357 -5.357 183 2HE MET 24 3HE MET 24 0.114 -4.470 -4.470 184 3HE MET 24 2HE MET 24 0.520 -6.168 -6.168 185 H GLN 25 H GLN 25 -0.369 -8.354 -8.354 186 HA GLN 25 HA GLN 25 0.859 -10.147 -10.147 187 1HB GLN 25 2HB GLN 25 -0.911 -11.295 -11.295 188 2HB GLN 25 1HB GLN 25 -1.023 -10.087 -10.087 189 1HG GLN 25 2HG GLN 25 0.762 -12.519 -12.519 190 2HG GLN 25 1HG GLN 25 -0.790 -12.353 -12.353 191 1HE2 GLN 25 2HE2 GLN 25 0.901 -9.314 -9.314 192 2HE2 GLN 25 1HE2 GLN 25 -0.196 -9.344 -9.344 193 H ALA 26 H ALA 26 2.215 -9.152 -9.152 194 HA ALA 26 HA ALA 26 4.144 -11.414 -11.414 195 1HB ALA 26 3HB ALA 26 3.600 -9.082 -9.082 196 2HB ALA 26 2HB ALA 26 4.992 -10.154 -10.154 197 3HB ALA 26 1HB ALA 26 3.337 -10.805 -10.805 198 H ALA 27 H ALA 27 3.818 -7.991 -7.991 199 HA ALA 27 HA ALA 27 6.632 -7.385 -7.385 200 1HB ALA 27 1HB ALA 27 3.943 -6.094 -6.094 201 2HB ALA 27 3HB ALA 27 5.282 -5.311 -5.311 202 3HB ALA 27 2HB ALA 27 5.357 -5.581 -5.581 203 H VAL 28 H VAL 28 3.776 -7.640 -7.640 204 HA VAL 28 HA VAL 28 4.939 -7.222 -7.222 205 HB VAL 28 HB VAL 28 2.967 -9.373 -9.373 206 1HG1 VAL 28 3HG1 VAL 28 4.113 -9.320 -9.320 207 2HG1 VAL 28 2HG1 VAL 28 2.911 -8.061 -8.061 208 3HG1 VAL 28 1HG1 VAL 28 2.397 -9.680 -9.680 209 1HG2 VAL 28 1HG2 VAL 28 2.434 -6.978 -6.978 210 2HG2 VAL 28 3HG2 VAL 28 1.245 -7.751 -7.751 211 3HG2 VAL 28 2HG2 VAL 28 2.404 -6.576 -6.576 212 H SER 29 H SER 29 4.661 -10.395 -10.395 213 HA SER 29 HA SER 29 6.395 -11.876 -11.876 214 1HB SER 29 2HB SER 29 6.661 -12.654 -12.654 215 2HB SER 29 1HB SER 29 5.689 -13.426 -13.426 216 HG SER 29 HG SER 29 4.829 -12.153 -12.153 217 H ASN 30 H ASN 30 6.966 -9.884 -9.884 218 HA ASN 30 HA ASN 30 9.787 -10.426 -10.426 219 1HB ASN 30 2HB ASN 30 7.664 -8.829 -8.829 220 2HB ASN 30 1HB ASN 30 9.138 -7.887 -7.887 221 1HD2 ASN 30 2HD2 ASN 30 8.868 -10.991 -10.991 222 2HD2 ASN 30 1HD2 ASN 30 7.599 -10.626 -10.626 223 H GLY 31 H GLY 31 8.143 -9.033 -9.033 224 1HA GLY 31 2HA GLY 31 9.091 -7.985 -7.985 225 2HA GLY 31 1HA GLY 31 10.562 -7.684 -7.684 226 H ILE 32 H ILE 32 8.533 -6.596 -6.596 227 HA ILE 32 HA ILE 32 8.960 -3.854 -3.854 228 HB ILE 32 HB ILE 32 6.350 -5.030 -5.030 229 1HG1 ILE 32 2HG1 ILE 32 9.126 -5.412 -5.412 230 2HG1 ILE 32 1HG1 ILE 32 7.751 -6.503 -6.503 231 1HG2 ILE 32 1HG2 ILE 32 6.972 -2.474 -2.474 232 2HG2 ILE 32 3HG2 ILE 32 7.983 -2.896 -2.896 233 3HG2 ILE 32 2HG2 ILE 32 6.242 -3.168 -3.168 234 1HD1 ILE 32 1HD1 ILE 32 6.856 -4.513 -4.513 235 2HD1 ILE 32 3HD1 ILE 32 8.593 -4.386 -4.386 236 3HD1 ILE 32 2HD1 ILE 32 7.760 -5.907 -5.907 237 H TYR 33 H TYR 33 6.089 -5.639 -5.639 238 HA TYR 33 HA TYR 33 6.074 -3.965 -3.965 239 1HB TYR 33 2HB TYR 33 3.417 -3.877 -3.877 240 2HB TYR 33 1HB TYR 33 4.530 -2.529 -2.529 241 HD1 TYR 33 2HD TYR 33 3.929 -5.746 -5.746 242 HD2 TYR 33 1HD TYR 33 3.943 -1.469 -1.469 243 HE1 TYR 33 2HE TYR 33 3.218 -5.890 -5.890 244 HE2 TYR 33 1HE TYR 33 3.239 -1.594 -1.594 245 HH TYR 33 HH TYR 33 3.579 -4.069 -4.069 246 H ASP 34 H ASP 34 6.357 -5.919 -5.919 247 HA ASP 34 HA ASP 34 4.685 -8.257 -8.257 248 1HB ASP 34 2HB ASP 34 5.667 -8.815 -8.815 249 2HB ASP 34 1HB ASP 34 6.868 -8.417 -8.417 250 H ILE 35 H ILE 35 2.922 -6.226 -6.226 251 HA ILE 35 HA ILE 35 1.815 -5.668 -5.668 252 HB ILE 35 HB ILE 35 1.897 -3.904 -3.904 253 1HG1 ILE 35 2HG1 ILE 35 -0.984 -4.757 -4.757 254 2HG1 ILE 35 1HG1 ILE 35 -0.250 -4.370 -4.370 255 1HG2 ILE 35 2HG2 ILE 35 1.316 -6.026 -6.026 256 2HG2 ILE 35 1HG2 ILE 35 0.025 -4.839 -4.839 257 3HG2 ILE 35 3HG2 ILE 35 1.699 -4.351 -4.351 258 1HD1 ILE 35 1HD1 ILE 35 0.513 -2.359 -2.359 259 2HD1 ILE 35 3HD1 ILE 35 -1.239 -2.559 -2.559 260 3HD1 ILE 35 2HD1 ILE 35 -0.459 -2.175 -2.175 261 H VAL 36 H VAL 36 0.760 -7.466 -7.466 262 HA VAL 36 HA VAL 36 -1.371 -8.714 -8.714 263 HB VAL 36 HB VAL 36 0.306 -9.879 -9.879 264 1HG1 VAL 36 3HG1 VAL 36 -2.196 -10.700 -10.700 265 2HG1 VAL 36 2HG1 VAL 36 -0.941 -11.896 -11.896 266 3HG1 VAL 36 1HG1 VAL 36 -1.318 -11.435 -11.435 267 1HG2 VAL 36 1HG2 VAL 36 1.113 -9.393 -9.393 268 2HG2 VAL 36 3HG2 VAL 36 1.702 -10.745 -10.745 269 3HG2 VAL 36 2HG2 VAL 36 0.393 -10.992 -10.992 270 H GLY 37 H GLY 37 -1.726 -6.321 -6.321 271 1HA GLY 37 2HA GLY 37 -3.490 -7.471 -7.471 272 2HA GLY 37 1HA GLY 37 -2.625 -5.949 -5.949 273 H ASP 38 H ASP 38 -3.133 -4.536 -4.536 274 HA ASP 38 HA ASP 38 -5.961 -3.852 -3.852 275 1HB ASP 38 2HB ASP 38 -3.488 -2.811 -2.811 276 2HB ASP 38 1HB ASP 38 -4.983 -2.354 -2.354 277 H CYS 39 H CYS 39 -4.223 -4.103 -4.103 278 HA CYS 39 HA CYS 39 -6.496 -5.007 -5.007 279 1HB CYS 39 2HB CYS 39 -4.663 -5.351 -5.351 280 2HB CYS 39 1HB CYS 39 -4.749 -3.753 -3.753 281 H GLY 40 H GLY 40 -3.657 -6.711 -6.711 282 1HA GLY 40 2HA GLY 40 -3.166 -9.024 -9.024 283 2HA GLY 40 1HA GLY 40 -4.874 -9.176 -9.176 284 H GLY 41 H GLY 41 -3.750 -7.783 -7.783 285 1HA GLY 41 2HA GLY 41 -3.818 -8.629 -8.629 286 2HA GLY 41 1HA GLY 41 -4.253 -10.212 -10.212 287 H SER 42 H SER 42 -5.926 -7.183 -7.183 288 HA SER 42 HA SER 42 -8.235 -8.099 -8.099 289 1HB SER 42 2HB SER 42 -8.288 -7.272 -7.272 290 2HB SER 42 1HB SER 42 -9.700 -7.710 -7.710 291 HG SER 42 HG SER 42 -9.166 -9.591 -9.591 292 H ALA 43 H ALA 43 -6.173 -5.611 -5.611 293 HA ALA 43 HA ALA 43 -6.224 -3.370 -3.370 294 1HB ALA 43 1HB ALA 43 -8.175 -4.770 -4.770 295 2HB ALA 43 3HB ALA 43 -8.987 -3.316 -3.316 296 3HB ALA 43 2HB ALA 43 -7.520 -3.184 -3.184 297 H SER 44 H SER 44 -6.536 -3.539 -3.539 298 HA SER 44 HA SER 44 -8.647 -1.518 -1.518 299 1HB SER 44 2HB SER 44 -9.524 -3.514 -3.514 300 2HB SER 44 1HB SER 44 -7.925 -4.127 -4.127 301 HG SER 44 HG SER 44 -7.831 -2.759 -2.759 302 H CYS 45 H CYS 45 -5.767 -1.334 -1.334 303 HA CYS 45 HA CYS 45 -4.628 -0.634 -0.634 304 1HB CYS 45 2HB CYS 45 -2.410 -0.822 -0.822 305 2HB CYS 45 1HB CYS 45 -3.284 -2.269 -2.269 306 H ALA 46 H ALA 46 -3.991 1.366 1.366 307 HA ALA 46 HA ALA 46 -4.185 3.527 3.527 308 1HB ALA 46 1HB ALA 46 -4.300 3.204 3.204 309 2HB ALA 46 3HB ALA 46 -3.497 4.677 4.677 310 3HB ALA 46 2HB ALA 46 -5.159 4.345 4.345 311 H THR 47 H THR 47 -1.881 1.345 1.345 312 HA THR 47 HA THR 47 0.372 3.313 3.313 313 HB THR 47 HB THR 47 0.006 1.639 1.639 314 HG1 THR 47 1HG THR 47 1.997 2.592 2.592 315 1HG2 THR 47 3HG2 THR 47 -0.627 -0.265 -0.265 316 2HG2 THR 47 2HG2 THR 47 0.986 -0.260 -0.260 317 3HG2 THR 47 1HG2 THR 47 0.777 -0.654 -0.654 318 H CYS 48 H CYS 48 -0.737 0.235 0.235 319 HA CYS 48 HA CYS 48 1.558 0.136 0.136 320 1HB CYS 48 2HB CYS 48 -1.010 -1.232 -1.232 321 2HB CYS 48 1HB CYS 48 0.631 -1.791 -1.791 322 H HIS 49 H HIS 49 -0.680 2.481 2.481 323 HA HIS 49 HA HIS 49 -1.971 2.657 2.657 324 1HB HIS 49 2HB HIS 49 -1.869 4.297 4.297 325 2HB HIS 49 1HB HIS 49 -0.346 4.876 4.876 326 HD1 HIS 49 1HD HIS 49 -2.123 7.068 7.068 327 HD2 HIS 49 2HD HIS 49 -2.533 4.089 4.089 328 HE1 HIS 49 1HE HIS 49 -3.318 8.127 8.127 329 H VAL 50 H VAL 50 -1.307 2.965 2.965 330 HA VAL 50 HA VAL 50 1.573 3.517 3.517 331 HB VAL 50 HB VAL 50 1.466 1.665 1.665 332 1HG1 VAL 50 1HG1 VAL 50 2.024 1.568 1.568 333 2HG1 VAL 50 3HG1 VAL 50 0.812 0.295 0.295 334 3HG1 VAL 50 2HG1 VAL 50 2.281 0.229 0.229 335 1HG2 VAL 50 1HG2 VAL 50 -1.107 1.771 1.771 336 2HG2 VAL 50 3HG2 VAL 50 -0.373 0.166 0.166 337 3HG2 VAL 50 2HG2 VAL 50 -1.017 0.798 0.798 338 H TYR 51 H TYR 51 1.931 4.194 4.194 339 HA TYR 51 HA TYR 51 -0.497 5.369 5.369 340 1HB TYR 51 2HB TYR 51 2.313 6.334 6.334 341 2HB TYR 51 1HB TYR 51 1.324 7.067 7.067 342 HD1 TYR 51 2HD TYR 51 -1.105 6.108 6.108 343 HD2 TYR 51 1HD TYR 51 2.177 8.883 8.883 344 HE1 TYR 51 2HE TYR 51 -2.249 7.584 7.584 345 HE2 TYR 51 1HE TYR 51 1.016 10.358 10.358 346 HH TYR 51 HH TYR 51 -0.728 10.036 10.036 347 H VAL 52 H VAL 52 -0.868 4.458 4.458 348 HA VAL 52 HA VAL 52 1.301 2.930 2.930 349 HB VAL 52 HB VAL 52 -1.669 3.198 3.198 350 1HG1 VAL 52 1HG1 VAL 52 -0.283 2.349 2.349 351 2HG1 VAL 52 3HG1 VAL 52 0.304 1.053 1.053 352 3HG1 VAL 52 2HG1 VAL 52 -1.407 1.137 1.137 353 1HG2 VAL 52 3HG2 VAL 52 -0.147 1.694 1.694 354 2HG2 VAL 52 2HG2 VAL 52 -1.865 2.085 2.085 355 3HG2 VAL 52 1HG2 VAL 52 -1.248 0.697 0.697 356 H ASN 53 H ASN 53 1.339 3.198 3.198 357 HA ASN 53 HA ASN 53 1.517 6.085 6.085 358 1HB ASN 53 2HB ASN 53 2.468 5.139 5.139 359 2HB ASN 53 1HB ASN 53 3.241 4.404 4.404 360 1HD2 ASN 53 2HD2 ASN 53 1.897 1.217 1.217 361 2HD2 ASN 53 1HD2 ASN 53 2.812 2.170 2.170 362 H GLU 54 H GLU 54 -0.014 7.135 7.135 363 HA GLU 54 HA GLU 54 -2.641 6.414 6.414 364 1HB GLU 54 2HB GLU 54 -2.570 7.900 7.900 365 2HB GLU 54 1HB GLU 54 -1.741 8.574 8.574 366 1HG GLU 54 2HG GLU 54 0.417 7.889 7.889 367 2HG GLU 54 1HG GLU 54 -0.350 7.028 7.028 368 H ALA 55 H ALA 55 0.035 4.991 4.991 369 HA ALA 55 HA ALA 55 -1.512 3.964 3.964 370 1HB ALA 55 3HB ALA 55 1.166 4.108 4.108 371 2HB ALA 55 2HB ALA 55 0.818 2.397 2.397 372 3HB ALA 55 1HB ALA 55 0.593 3.546 3.546 373 H PHE 56 H PHE 56 -0.186 2.277 2.277 374 HA PHE 56 HA PHE 56 -1.775 -0.113 -0.113 375 1HB PHE 56 2HB PHE 56 0.170 0.727 0.727 376 2HB PHE 56 1HB PHE 56 -0.614 -0.851 -0.851 377 HD1 PHE 56 1HD PHE 56 1.496 1.403 1.403 378 HD2 PHE 56 2HD PHE 56 0.204 -2.679 -2.679 379 HE1 PHE 56 1HE PHE 56 3.099 0.614 0.614 380 HE2 PHE 56 2HE PHE 56 1.804 -3.411 -3.411 381 HZ PHE 56 HZ PHE 56 3.254 -1.792 -1.792 382 H THR 57 H THR 57 -2.496 2.792 2.792 383 HA THR 57 HA THR 57 -4.127 1.660 1.660 384 HB THR 57 HB THR 57 -4.585 3.923 3.923 385 HG1 THR 57 1HG THR 57 -5.103 5.242 5.242 386 1HG2 THR 57 2HG2 THR 57 -1.912 3.235 3.235 387 2HG2 THR 57 1HG2 THR 57 -2.212 4.945 4.945 388 3HG2 THR 57 3HG2 THR 57 -2.428 4.292 4.292 389 H ASP 58 H ASP 58 -4.846 3.414 3.414 390 HA ASP 58 HA ASP 58 -7.687 3.072 3.072 391 1HB ASP 58 2HB ASP 58 -7.363 4.557 4.557 392 2HB ASP 58 1HB ASP 58 -5.640 4.203 4.203 393 H LYS 59 H LYS 59 -5.244 0.799 0.799 394 HA LYS 59 HA LYS 59 -6.575 -1.016 -1.016 395 1HB LYS 59 2HB LYS 59 -4.523 -1.657 -1.657 396 2HB LYS 59 1HB LYS 59 -4.695 -2.391 -2.391 397 1HG LYS 59 2HG LYS 59 -3.597 0.339 0.339 398 2HG LYS 59 1HG LYS 59 -2.832 -0.949 -0.949 399 1HD LYS 59 2HD LYS 59 -5.159 -0.460 -0.460 400 2HD LYS 59 1HD LYS 59 -4.662 1.150 1.150 401 1HE LYS 59 2HE LYS 59 -3.505 0.823 0.823 402 2HE LYS 59 1HE LYS 59 -2.288 0.438 0.438 403 1HZ LYS 59 1HZ LYS 59 -3.447 -1.902 -1.902 404 2HZ LYS 59 3HZ LYS 59 -3.810 -1.368 -1.368 405 3HZ LYS 59 2HZ LYS 59 -2.193 -1.468 -1.468 406 H VAL 60 H VAL 60 -5.724 -1.005 -1.005 407 HA VAL 60 HA VAL 60 -7.291 -3.295 -3.295 408 HB VAL 60 HB VAL 60 -5.002 -1.982 -1.982 409 1HG1 VAL 60 3HG1 VAL 60 -6.233 -0.108 -0.108 410 2HG1 VAL 60 2HG1 VAL 60 -6.899 -1.188 -1.188 411 3HG1 VAL 60 1HG1 VAL 60 -5.162 -0.885 -0.885 412 1HG2 VAL 60 2HG2 VAL 60 -6.309 -4.235 -4.235 413 2HG2 VAL 60 1HG2 VAL 60 -4.661 -3.762 -3.762 414 3HG2 VAL 60 3HG2 VAL 60 -5.981 -3.360 -3.360 415 HA PRO 61 HA PRO 61 -11.071 -1.385 -1.385 416 1HB PRO 61 2HB PRO 61 -11.518 -2.436 -2.436 417 2HB PRO 61 1HB PRO 61 -11.763 -3.329 -3.329 418 1HG PRO 61 2HG PRO 61 -9.408 -3.354 -3.354 419 2HG PRO 61 1HG PRO 61 -10.237 -4.717 -4.717 420 1HD PRO 61 2HD PRO 61 -7.944 -3.788 -3.788 421 2HD PRO 61 1HD PRO 61 -9.253 -4.306 -4.306 422 H ALA 62 H ALA 62 -12.094 0.027 0.027 423 HA ALA 62 HA ALA 62 -10.295 2.106 2.106 424 1HB ALA 62 1HB ALA 62 -12.843 1.815 1.815 425 2HB ALA 62 3HB ALA 62 -13.141 2.304 2.304 426 3HB ALA 62 2HB ALA 62 -12.151 3.318 3.318 427 H ALA 63 H ALA 63 -12.156 2.948 2.948 428 HA ALA 63 HA ALA 63 -11.168 1.143 1.143 429 1HB ALA 63 1HB ALA 63 -10.523 3.633 3.633 430 2HB ALA 63 3HB ALA 63 -12.155 3.979 3.979 431 3HB ALA 63 2HB ALA 63 -11.024 3.113 3.113 432 H ASN 64 H ASN 64 -12.597 0.393 0.393 433 HA ASN 64 HA ASN 64 -15.509 0.714 0.714 434 1HB ASN 64 2HB ASN 64 -15.668 -1.300 -1.300 435 2HB ASN 64 1HB ASN 64 -14.540 -1.554 -1.554 436 1HD2 ASN 64 2HD2 ASN 64 -12.562 -2.743 -2.743 437 2HD2 ASN 64 1HD2 ASN 64 -13.749 -3.271 -3.271 438 H GLU 65 H GLU 65 -16.259 -0.047 -0.047 439 HA GLU 65 HA GLU 65 -16.132 2.592 2.592 440 1HB GLU 65 2HB GLU 65 -17.872 1.730 1.730 441 2HB GLU 65 1HB GLU 65 -18.041 0.781 0.781 442 1HG GLU 65 2HG GLU 65 -16.467 -0.130 -0.130 443 2HG GLU 65 1HG GLU 65 -18.133 -0.601 -0.601 444 H ARG 66 H ARG 66 -14.544 -0.524 -0.524 445 HA ARG 66 HA ARG 66 -13.460 -0.035 -0.035 446 1HB ARG 66 2HB ARG 66 -13.604 -2.118 -2.118 447 2HB ARG 66 1HB ARG 66 -11.899 -1.857 -1.857 448 1HG ARG 66 2HG ARG 66 -12.486 -1.953 -1.953 449 2HG ARG 66 1HG ARG 66 -14.124 -2.424 -2.424 450 1HD ARG 66 2HD ARG 66 -11.623 -3.931 -3.931 451 2HD ARG 66 1HD ARG 66 -12.669 -4.404 -4.404 452 HE ARG 66 HE ARG 66 -13.797 -4.063 -4.063 453 1HH1 ARG 66 1HH2 ARG 66 -12.491 -6.498 -6.498 454 2HH1 ARG 66 2HH2 ARG 66 -13.913 -7.486 -7.486 455 1HH2 ARG 66 1HH1 ARG 66 -15.986 -5.051 -5.051 456 2HH2 ARG 66 2HH1 ARG 66 -15.891 -6.667 -6.667 457 H GLU 67 H GLU 67 -12.061 0.034 0.034 458 HA GLU 67 HA GLU 67 -9.463 0.938 0.938 459 1HB GLU 67 2HB GLU 67 -9.813 -0.041 -0.041 460 2HB GLU 67 1HB GLU 67 -11.156 1.036 1.036 461 1HG GLU 67 2HG GLU 67 -9.568 2.956 2.956 462 2HG GLU 67 1HG GLU 67 -8.240 1.825 1.825 463 H ILE 68 H ILE 68 -12.409 2.622 2.622 464 HA ILE 68 HA ILE 68 -11.229 5.247 5.247 465 HB ILE 68 HB ILE 68 -13.890 4.024 4.024 466 1HG1 ILE 68 2HG1 ILE 68 -14.516 5.240 5.240 467 2HG1 ILE 68 1HG1 ILE 68 -13.107 6.293 6.293 468 1HG2 ILE 68 3HG2 ILE 68 -13.730 5.879 5.879 469 2HG2 ILE 68 2HG2 ILE 68 -13.467 7.005 7.005 470 3HG2 ILE 68 1HG2 ILE 68 -14.991 6.123 6.123 471 1HD1 ILE 68 2HD1 ILE 68 -12.602 3.359 3.359 472 2HD1 ILE 68 1HD1 ILE 68 -13.143 4.174 4.174 473 3HD1 ILE 68 3HD1 ILE 68 -11.667 4.701 4.701 474 H GLY 69 H GLY 69 -11.523 3.236 3.236 475 1HA GLY 69 2HA GLY 69 -11.519 5.495 5.495 476 2HA GLY 69 1HA GLY 69 -11.506 3.791 3.791 477 H MET 70 H MET 70 -9.417 2.626 2.626 478 HA MET 70 HA MET 70 -7.225 3.875 3.875 479 1HB MET 70 2HB MET 70 -6.108 2.118 2.118 480 2HB MET 70 1HB MET 70 -6.404 1.780 1.780 481 1HG MET 70 2HG MET 70 -7.419 0.070 0.070 482 2HG MET 70 1HG MET 70 -8.688 0.991 0.991 483 1HE MET 70 2HE MET 70 -7.529 -0.712 -0.712 484 2HE MET 70 1HE MET 70 -8.921 -0.630 -0.630 485 3HE MET 70 3HE MET 70 -7.400 0.170 0.170 486 H LEU 71 H LEU 71 -8.104 3.841 3.841 487 HA LEU 71 HA LEU 71 -5.701 5.066 5.066 488 1HB LEU 71 2HB LEU 71 -7.698 3.676 3.676 489 2HB LEU 71 1HB LEU 71 -8.456 5.259 5.259 490 HG LEU 71 HG LEU 71 -6.193 4.035 4.035 491 1HD1 LEU 71 3HD1 LEU 71 -8.705 5.284 5.284 492 2HD1 LEU 71 2HD1 LEU 71 -7.448 6.278 6.278 493 3HD1 LEU 71 1HD1 LEU 71 -7.593 4.568 4.568 494 1HD2 LEU 71 1HD2 LEU 71 -6.255 7.000 7.000 495 2HD2 LEU 71 3HD2 LEU 71 -5.007 5.874 5.874 496 3HD2 LEU 71 2HD2 LEU 71 -5.216 6.215 6.215 497 H GLU 72 H GLU 72 -8.467 6.243 6.243 498 HA GLU 72 HA GLU 72 -8.112 9.045 9.045 499 1HB GLU 72 2HB GLU 72 -10.348 8.866 8.866 500 2HB GLU 72 1HB GLU 72 -10.140 7.365 7.365 501 1HG GLU 72 2HG GLU 72 -9.981 8.438 8.438 502 2HG GLU 72 1HG GLU 72 -9.328 9.926 9.926 503 H CYS 73 H CYS 73 -8.057 7.226 7.226 504 HA CYS 73 HA CYS 73 -7.201 9.221 9.221 505 1HB CYS 73 2HB CYS 73 -7.181 6.323 6.323 506 2HB CYS 73 1HB CYS 73 -5.747 6.894 6.894 507 HG CYS 73 HG CYS 73 -7.890 8.406 8.406 508 H VAL 74 H VAL 74 -5.435 7.667 7.667 509 HA VAL 74 HA VAL 74 -2.795 8.540 8.540 510 HB VAL 74 HB VAL 74 -2.170 7.688 7.688 511 1HG1 VAL 74 1HG1 VAL 74 -3.680 6.198 6.198 512 2HG1 VAL 74 3HG1 VAL 74 -3.715 5.428 5.428 513 3HG1 VAL 74 2HG1 VAL 74 -2.170 5.772 5.772 514 1HG2 VAL 74 2HG2 VAL 74 -5.033 8.109 8.109 515 2HG2 VAL 74 1HG2 VAL 74 -3.730 8.015 8.015 516 3HG2 VAL 74 3HG2 VAL 74 -4.473 6.536 6.536 517 H THR 75 H THR 75 -4.218 10.770 10.770 518 HA THR 75 HA THR 75 -4.805 12.454 12.454 519 HB THR 75 HB THR 75 -5.027 12.872 12.872 520 HG1 THR 75 1HG THR 75 -4.325 15.090 15.090 521 1HG2 THR 75 1HG2 THR 75 -2.179 12.431 12.431 522 2HG2 THR 75 3HG2 THR 75 -2.498 14.012 14.012 523 3HG2 THR 75 2HG2 THR 75 -3.201 12.561 12.561 524 H ALA 76 H ALA 76 -3.068 11.697 11.697 525 HA ALA 76 HA ALA 76 -0.661 13.480 13.480 526 1HB ALA 76 1HB ALA 76 -0.359 10.907 10.907 527 2HB ALA 76 3HB ALA 76 -0.653 10.802 10.802 528 3HB ALA 76 2HB ALA 76 0.725 11.723 11.723 529 H GLU 77 H GLU 77 -2.626 14.670 14.670 530 HA GLU 77 HA GLU 77 -3.637 15.319 15.319 531 1HB GLU 77 2HB GLU 77 -1.862 15.899 15.899 532 2HB GLU 77 1HB GLU 77 -1.378 16.333 16.333 533 1HG GLU 77 2HG GLU 77 0.044 14.412 14.412 534 2HG GLU 77 1HG GLU 77 -0.614 13.705 13.705 535 H LEU 78 H LEU 78 -4.441 12.895 12.895 536 HA LEU 78 HA LEU 78 -3.890 10.629 10.629 537 1HB LEU 78 2HB LEU 78 -6.121 11.968 11.968 538 2HB LEU 78 1HB LEU 78 -6.534 11.605 11.605 539 HG LEU 78 HG LEU 78 -5.892 9.232 9.232 540 1HD1 LEU 78 2HD1 LEU 78 -4.404 10.053 10.053 541 2HD1 LEU 78 1HD1 LEU 78 -5.880 9.707 9.707 542 3HD1 LEU 78 3HD1 LEU 78 -5.101 8.434 8.434 543 1HD2 LEU 78 2HD2 LEU 78 -8.080 10.633 10.633 544 2HD2 LEU 78 1HD2 LEU 78 -8.138 9.235 9.235 545 3HD2 LEU 78 3HD2 LEU 78 -7.733 9.023 9.023 546 H LYS 79 H LYS 79 -3.576 9.881 9.881 547 HA LYS 79 HA LYS 79 -3.521 11.892 11.892 548 1HB LYS 79 2HB LYS 79 -2.781 8.976 8.976 549 2HB LYS 79 1HB LYS 79 -2.068 10.356 10.356 550 1HG LYS 79 2HG LYS 79 -1.759 9.676 9.676 551 2HG LYS 79 1HG LYS 79 -0.511 9.565 9.565 552 1HD LYS 79 2HD LYS 79 -1.820 12.176 12.176 553 2HD LYS 79 1HD LYS 79 -0.955 11.731 11.731 554 1HE LYS 79 2HE LYS 79 1.111 11.534 11.534 555 2HE LYS 79 1HE LYS 79 0.337 11.397 11.397 556 1HZ LYS 79 1HZ LYS 79 -0.651 13.693 13.693 557 2HZ LYS 79 3HZ LYS 79 0.667 13.780 13.780 558 3HZ LYS 79 2HZ LYS 79 0.935 13.610 13.610 559 HA PRO 80 HA PRO 80 -7.145 10.392 10.392 560 1HB PRO 80 2HB PRO 80 -6.341 10.022 10.022 561 2HB PRO 80 1HB PRO 80 -6.634 11.629 11.629 562 1HG PRO 80 2HG PRO 80 -4.063 10.176 10.176 563 2HG PRO 80 1HG PRO 80 -4.442 11.888 11.888 564 1HD PRO 80 2HD PRO 80 -3.114 11.016 11.016 565 2HD PRO 80 1HD PRO 80 -4.225 12.401 12.401 566 H ASN 81 H ASN 81 -4.173 8.611 8.611 567 HA ASN 81 HA ASN 81 -5.708 6.094 6.094 568 1HB ASN 81 2HB ASN 81 -3.836 5.352 5.352 569 2HB ASN 81 1HB ASN 81 -3.888 7.065 7.065 570 1HD2 ASN 81 2HD2 ASN 81 -0.664 7.610 7.610 571 2HD2 ASN 81 1HD2 ASN 81 -1.901 8.098 8.098 572 H SER 82 H SER 82 -4.430 7.709 7.709 573 HA SER 82 HA SER 82 -2.671 6.009 6.009 574 1HB SER 82 2HB SER 82 -5.130 7.479 7.479 575 2HB SER 82 1HB SER 82 -3.847 6.870 6.870 576 HG SER 82 HG SER 82 -2.558 8.136 8.136 577 H ARG 83 H ARG 83 -2.847 4.120 4.120 578 HA ARG 83 HA ARG 83 -5.467 2.837 2.837 579 1HB ARG 83 2HB ARG 83 -3.300 1.796 1.796 580 2HB ARG 83 1HB ARG 83 -4.551 0.748 0.748 581 1HG ARG 83 2HG ARG 83 -4.979 3.183 3.183 582 2HG ARG 83 1HG ARG 83 -5.243 1.497 1.497 583 1HD ARG 83 2HD ARG 83 -6.722 1.909 1.909 584 2HD ARG 83 1HD ARG 83 -7.069 3.291 3.291 585 HE ARG 83 HE ARG 83 -8.087 0.715 0.715 586 1HH1 ARG 83 1HH2 ARG 83 -8.103 3.454 3.454 587 2HH1 ARG 83 2HH2 ARG 83 -7.756 2.821 2.821 588 1HH2 ARG 83 1HH1 ARG 83 -6.793 -0.295 -0.295 589 2HH2 ARG 83 2HH1 ARG 83 -7.015 0.698 0.698 590 H LEU 84 H LEU 84 -5.183 0.926 0.926 591 HA LEU 84 HA LEU 84 -2.903 1.283 1.283 592 1HB LEU 84 2HB LEU 84 -5.612 0.395 0.395 593 2HB LEU 84 1HB LEU 84 -4.601 -0.955 -0.955 594 HG LEU 84 HG LEU 84 -4.548 1.851 1.851 595 1HD1 LEU 84 2HD1 LEU 84 -5.826 -0.695 -0.695 596 2HD1 LEU 84 1HD1 LEU 84 -4.916 0.022 0.022 597 3HD1 LEU 84 3HD1 LEU 84 -6.187 0.945 0.945 598 1HD2 LEU 84 2HD2 LEU 84 -2.746 -0.545 -0.545 599 2HD2 LEU 84 1HD2 LEU 84 -2.313 1.136 1.136 600 3HD2 LEU 84 3HD2 LEU 84 -2.904 0.620 0.620 601 H SER 85 H SER 85 -1.207 -0.220 -0.220 602 HA SER 85 HA SER 85 -0.221 -1.747 -1.747 603 1HB SER 85 2HB SER 85 1.245 -2.606 -2.606 604 2HB SER 85 1HB SER 85 0.597 -1.274 -1.274 605 HG SER 85 HG SER 85 0.627 -3.511 -3.511 606 H CYS 86 H CYS 86 -2.848 -2.480 -2.480 607 HA CYS 86 HA CYS 86 -3.121 -5.233 -5.233 608 1HB CYS 86 2HB CYS 86 -4.521 -4.066 -4.066 609 2HB CYS 86 1HB CYS 86 -4.176 -5.755 -5.755 610 H GLN 87 H GLN 87 -3.932 -2.997 -2.997 611 HA GLN 87 HA GLN 87 -6.901 -3.237 -3.237 612 1HB GLN 87 2HB GLN 87 -5.944 -1.018 -1.018 613 2HB GLN 87 1HB GLN 87 -5.166 -0.970 -0.970 614 1HG GLN 87 2HG GLN 87 -7.356 0.261 0.261 615 2HG GLN 87 1HG GLN 87 -7.315 -1.031 -1.031 616 1HE2 GLN 87 2HE2 GLN 87 -9.099 -2.318 -2.318 617 2HE2 GLN 87 1HE2 GLN 87 -7.501 -1.740 -1.740 618 H ILE 88 H ILE 88 -4.202 -2.643 -2.643 619 HA ILE 88 HA ILE 88 -5.879 -3.353 -3.353 620 HB ILE 88 HB ILE 88 -2.923 -2.978 -2.978 621 1HG1 ILE 88 2HG1 ILE 88 -4.950 -0.844 -0.844 622 2HG1 ILE 88 1HG1 ILE 88 -3.434 -1.212 -1.212 623 1HG2 ILE 88 2HG2 ILE 88 -5.301 -2.085 -2.085 624 2HG2 ILE 88 1HG2 ILE 88 -3.624 -1.692 -1.692 625 3HG2 ILE 88 3HG2 ILE 88 -4.164 -3.371 -3.371 626 1HD1 ILE 88 3HD1 ILE 88 -2.460 -0.678 -0.678 627 2HD1 ILE 88 2HD1 ILE 88 -3.904 0.330 0.330 628 3HD1 ILE 88 1HD1 ILE 88 -2.699 0.579 0.579 629 H ILE 89 H ILE 89 -5.394 -5.068 -5.068 630 HA ILE 89 HA ILE 89 -3.923 -7.352 -7.352 631 HB ILE 89 HB ILE 89 -6.316 -7.083 -7.083 632 1HG1 ILE 89 2HG1 ILE 89 -6.914 -7.051 -7.051 633 2HG1 ILE 89 1HG1 ILE 89 -7.233 -8.698 -8.698 634 1HG2 ILE 89 2HG2 ILE 89 -4.757 -8.803 -8.803 635 2HG2 ILE 89 1HG2 ILE 89 -4.823 -9.638 -9.638 636 3HG2 ILE 89 3HG2 ILE 89 -6.279 -9.491 -9.491 637 1HD1 ILE 89 1HD1 ILE 89 -4.865 -9.261 -9.261 638 2HD1 ILE 89 3HD1 ILE 89 -4.887 -7.695 -7.695 639 3HD1 ILE 89 2HD1 ILE 89 -6.063 -8.934 -8.934 640 H MET 90 H MET 90 -2.642 -8.656 -8.656 641 HA MET 90 HA MET 90 -1.671 -7.076 -7.076 642 1HB MET 90 2HB MET 90 -0.447 -8.301 -8.301 643 2HB MET 90 1HB MET 90 0.012 -9.262 -9.262 644 1HG MET 90 2HG MET 90 1.553 -7.305 -7.305 645 2HG MET 90 1HG MET 90 1.007 -7.397 -7.397 646 1HE MET 90 1HE MET 90 -0.117 -6.264 -6.264 647 2HE MET 90 3HE MET 90 -1.406 -5.113 -5.113 648 3HE MET 90 2HE MET 90 0.240 -4.537 -4.537 649 H THR 91 H THR 91 -3.177 -7.906 -7.906 650 HA THR 91 HA THR 91 -3.547 -10.792 -10.792 651 HB THR 91 HB THR 91 -4.619 -9.736 -9.736 652 HG1 THR 91 1HG THR 91 -5.265 -7.517 -7.517 653 1HG2 THR 91 3HG2 THR 91 -5.644 -9.275 -9.275 654 2HG2 THR 91 2HG2 THR 91 -6.631 -9.159 -9.159 655 3HG2 THR 91 1HG2 THR 91 -5.920 -10.705 -10.705 656 HA PRO 92 HA PRO 92 -0.347 -11.446 -11.446 657 1HB PRO 92 2HB PRO 92 -1.517 -13.111 -13.111 658 2HB PRO 92 1HB PRO 92 -1.077 -13.623 -13.623 659 1HG PRO 92 2HG PRO 92 -3.729 -13.008 -13.008 660 2HG PRO 92 1HG PRO 92 -3.281 -14.093 -14.093 661 1HD PRO 92 2HD PRO 92 -4.389 -11.529 -11.529 662 2HD PRO 92 1HD PRO 92 -3.650 -12.491 -12.491 663 H GLU 93 H GLU 93 -2.992 -9.599 -9.599 664 HA GLU 93 HA GLU 93 -1.972 -9.025 -9.025 665 1HB GLU 93 2HB GLU 93 -4.231 -8.126 -8.126 666 2HB GLU 93 1HB GLU 93 -4.336 -9.769 -9.769 667 1HG GLU 93 2HG GLU 93 -4.337 -8.349 -8.349 668 2HG GLU 93 1HG GLU 93 -5.152 -7.214 -7.214 669 H LEU 94 H LEU 94 -2.732 -7.656 -7.656 670 HA LEU 94 HA LEU 94 -1.912 -4.923 -4.923 671 1HB LEU 94 2HB LEU 94 -2.865 -5.902 -5.902 672 2HB LEU 94 1HB LEU 94 -2.907 -4.260 -4.260 673 HG LEU 94 HG LEU 94 -4.586 -6.625 -6.625 674 1HD1 LEU 94 2HD1 LEU 94 -5.186 -3.774 -3.774 675 2HD1 LEU 94 1HD1 LEU 94 -6.402 -4.965 -4.965 676 3HD1 LEU 94 3HD1 LEU 94 -5.422 -5.217 -5.217 677 1HD2 LEU 94 3HD2 LEU 94 -3.586 -5.499 -5.499 678 2HD2 LEU 94 2HD2 LEU 94 -5.347 -5.360 -5.360 679 3HD2 LEU 94 1HD2 LEU 94 -4.330 -3.991 -3.991 680 H ASP 95 H ASP 95 0.143 -6.661 -6.661 681 HA ASP 95 HA ASP 95 1.582 -6.568 -6.568 682 1HB ASP 95 2HB ASP 95 3.063 -8.179 -8.179 683 2HB ASP 95 1HB ASP 95 1.391 -8.700 -8.700 684 H GLY 96 H GLY 96 3.590 -5.675 -5.675 685 1HA GLY 96 2HA GLY 96 5.616 -4.543 -4.543 686 2HA GLY 96 1HA GLY 96 4.733 -4.083 -4.083 687 H ILE 97 H ILE 97 3.227 -3.897 -3.897 688 HA ILE 97 HA ILE 97 2.602 -1.122 -1.122 689 HB ILE 97 HB ILE 97 1.002 -2.672 -2.672 690 1HG1 ILE 97 2HG1 ILE 97 1.296 -0.180 -0.180 691 2HG1 ILE 97 1HG1 ILE 97 0.100 -1.249 -1.249 692 1HG2 ILE 97 2HG2 ILE 97 3.241 -3.241 -3.241 693 2HG2 ILE 97 1HG2 ILE 97 1.608 -3.328 -3.328 694 3HG2 ILE 97 3HG2 ILE 97 2.062 -4.339 -4.339 695 1HD1 ILE 97 3HD1 ILE 97 2.781 -1.451 -1.451 696 2HD1 ILE 97 2HD1 ILE 97 2.023 0.128 0.128 697 3HD1 ILE 97 1HD1 ILE 97 1.205 -1.320 -1.320 698 H VAL 98 H VAL 98 3.640 0.593 0.593 699 HA VAL 98 HA VAL 98 5.949 0.515 0.515 700 HB VAL 98 HB VAL 98 4.496 2.884 2.884 701 1HG1 VAL 98 1HG1 VAL 98 7.192 2.347 2.347 702 2HG1 VAL 98 3HG1 VAL 98 7.100 3.486 3.486 703 3HG1 VAL 98 2HG1 VAL 98 6.175 3.782 3.782 704 1HG2 VAL 98 1HG2 VAL 98 6.387 0.879 0.879 705 2HG2 VAL 98 3HG2 VAL 98 4.832 1.447 1.447 706 3HG2 VAL 98 2HG2 VAL 98 6.232 2.519 2.519 707 H VAL 99 H VAL 99 5.595 0.698 0.698 708 HA VAL 99 HA VAL 99 3.026 1.954 1.954 709 HB VAL 99 HB VAL 99 4.987 0.658 0.658 710 1HG1 VAL 99 1HG1 VAL 99 2.073 1.119 1.119 711 2HG1 VAL 99 3HG1 VAL 99 2.570 -0.411 -0.411 712 3HG1 VAL 99 2HG1 VAL 99 3.155 1.122 1.122 713 1HG2 VAL 99 1HG2 VAL 99 3.705 -0.643 -0.643 714 2HG2 VAL 99 3HG2 VAL 99 5.165 -1.062 -1.062 715 3HG2 VAL 99 2HG2 VAL 99 3.584 -1.493 -1.493 716 H ASP 100 H ASP 100 3.503 2.818 2.818 717 HA ASP 100 HA ASP 100 6.032 4.177 4.177 718 1HB ASP 100 2HB ASP 100 3.521 5.688 5.688 719 2HB ASP 100 1HB ASP 100 4.896 6.460 6.460 720 H VAL 101 H VAL 101 6.327 4.566 4.566 721 HA VAL 101 HA VAL 101 4.021 3.966 3.966 722 HB VAL 101 HB VAL 101 7.009 3.920 3.920 723 1HG1 VAL 101 1HG1 VAL 101 5.197 4.822 4.822 724 2HG1 VAL 101 3HG1 VAL 101 6.161 3.420 3.420 725 3HG1 VAL 101 2HG1 VAL 101 6.958 4.897 4.897 726 1HG2 VAL 101 1HG2 VAL 101 5.568 1.905 1.905 727 2HG2 VAL 101 3HG2 VAL 101 6.588 1.704 1.704 728 3HG2 VAL 101 2HG2 VAL 101 4.869 2.048 2.048 729 HA PRO 102 HA PRO 102 3.479 8.387 8.387 730 1HB PRO 102 2HB PRO 102 1.523 8.289 8.289 731 2HB PRO 102 1HB PRO 102 1.237 7.967 7.967 732 1HG PRO 102 2HG PRO 102 1.708 6.013 6.013 733 2HG PRO 102 1HG PRO 102 0.475 5.986 5.986 734 1HD PRO 102 2HD PRO 102 2.657 4.494 4.494 735 2HD PRO 102 1HD PRO 102 2.003 5.332 5.332 736 H ASP 103 H ASP 103 3.242 9.994 9.994 737 HA ASP 103 HA ASP 103 5.253 9.208 9.208 738 1HB ASP 103 2HB ASP 103 5.502 11.777 11.777 739 2HB ASP 103 1HB ASP 103 6.100 10.972 10.972 740 H ARG 104 H ARG 104 4.046 8.461 8.461 741 HA ARG 104 HA ARG 104 1.656 9.860 9.860 742 1HB ARG 104 2HB ARG 104 3.228 7.368 7.368 743 2HB ARG 104 1HB ARG 104 1.854 7.896 7.896 744 1HG ARG 104 2HG ARG 104 1.801 7.305 7.305 745 2HG ARG 104 1HG ARG 104 1.086 6.307 6.307 746 1HD ARG 104 2HD ARG 104 -0.795 7.543 7.543 747 2HD ARG 104 1HD ARG 104 0.051 8.834 8.834 748 HE ARG 104 HE ARG 104 0.799 9.751 9.751 749 1HH1 ARG 104 1HH1 ARG 104 0.949 7.008 7.008 750 2HH1 ARG 104 2HH1 ARG 104 -0.278 7.136 7.136 751 1HH2 ARG 104 1HH2 ARG 104 -1.825 9.841 9.841 752 2HH2 ARG 104 2HH2 ARG 104 -1.835 8.744 8.744 753 H GLN 105 H GLN 105 4.855 8.933 8.933 754 HA GLN 105 HA GLN 105 4.552 10.473 10.473 755 1HB GLN 105 2HB GLN 105 6.951 9.940 9.940 756 2HB GLN 105 1HB GLN 105 6.058 8.526 8.526 757 1HG GLN 105 2HG GLN 105 6.672 9.588 9.588 758 2HG GLN 105 1HG GLN 105 8.031 10.218 10.218 759 1HE2 GLN 105 2HE2 GLN 105 9.707 7.136 7.136 760 2HE2 GLN 105 1HE2 GLN 105 9.795 8.829 8.829 761 H TRP 106 H TRP 106 4.038 12.656 12.656 762 HA TRP 106 HA TRP 106 5.478 14.210 14.210 763 1HB TRP 106 2HB TRP 106 3.205 14.406 14.406 764 2HB TRP 106 1HB TRP 106 4.237 15.787 15.787 765 HD1 TRP 106 HD TRP 106 1.435 15.291 15.291 766 HE1 TRP 106 1HE TRP 106 1.465 16.608 16.608 767 HE3 TRP 106 3HE TRP 106 6.412 16.400 16.400 768 HZ2 TRP 106 2HZ TRP 106 3.352 17.955 17.955 769 HZ3 TRP 106 3HZ TRP 106 7.300 17.700 17.700 770 HH2 TRP 106 HH TRP 106 5.776 18.478 18.478 Start of MODEL 6 1 1H SER 1 3HT SER 1 3.940 -11.233 -11.233 2 2H SER 1 2HT SER 1 2.737 -10.378 -10.378 3 3H SER 1 1HT SER 1 2.380 -11.102 -11.102 4 HA SER 1 HA SER 1 3.627 -9.532 -9.532 5 1HB SER 1 2HB SER 1 1.786 -8.246 -8.246 6 2HB SER 1 1HB SER 1 1.730 -8.751 -8.751 7 HG SER 1 HG SER 1 3.038 -7.131 -7.131 8 H LYS 2 H LYS 2 5.007 -7.535 -7.535 9 HA LYS 2 HA LYS 2 7.225 -7.930 -7.930 10 1HB LYS 2 2HB LYS 2 7.184 -7.279 -7.279 11 2HB LYS 2 1HB LYS 2 6.954 -5.650 -5.650 12 1HG LYS 2 2HG LYS 2 8.979 -6.032 -6.032 13 2HG LYS 2 1HG LYS 2 9.256 -7.533 -7.533 14 1HD LYS 2 2HD LYS 2 8.799 -5.407 -5.407 15 2HD LYS 2 1HD LYS 2 10.056 -4.913 -4.913 16 1HE LYS 2 2HE LYS 2 11.243 -7.077 -7.077 17 2HE LYS 2 1HE LYS 2 10.024 -7.461 -7.461 18 1HZ LYS 2 3HZ LYS 2 10.598 -5.014 -5.014 19 2HZ LYS 2 2HZ LYS 2 12.086 -5.382 -5.382 20 3HZ LYS 2 1HZ LYS 2 11.506 -6.337 -6.337 21 H VAL 3 H VAL 3 6.866 -7.013 -7.013 22 HA VAL 3 HA VAL 3 5.254 -4.499 -4.499 23 HB VAL 3 HB VAL 3 5.748 -6.825 -6.825 24 1HG1 VAL 3 3HG1 VAL 3 4.728 -4.084 -4.084 25 2HG1 VAL 3 2HG1 VAL 3 4.588 -5.535 -5.535 26 3HG1 VAL 3 1HG1 VAL 3 6.179 -4.881 -4.881 27 1HG2 VAL 3 1HG2 VAL 3 3.827 -6.819 -6.819 28 2HG2 VAL 3 3HG2 VAL 3 3.287 -6.756 -6.756 29 3HG2 VAL 3 2HG2 VAL 3 3.280 -5.293 -5.293 30 H VAL 4 H VAL 4 6.138 -2.674 -2.674 31 HA VAL 4 HA VAL 4 8.838 -2.825 -2.825 32 HB VAL 4 HB VAL 4 7.883 -1.377 -1.377 33 1HG1 VAL 4 2HG1 VAL 4 9.678 -0.193 -0.193 34 2HG1 VAL 4 1HG1 VAL 4 9.946 0.189 0.189 35 3HG1 VAL 4 3HG1 VAL 4 8.408 0.591 0.591 36 1HG2 VAL 4 1HG2 VAL 4 10.106 -3.081 -3.081 37 2HG2 VAL 4 3HG2 VAL 4 9.426 -2.846 -2.846 38 3HG2 VAL 4 2HG2 VAL 4 10.617 -1.707 -1.707 39 H TYR 5 H TYR 5 8.807 -1.865 -1.865 40 HA TYR 5 HA TYR 5 6.536 -0.112 -0.112 41 1HB TYR 5 2HB TYR 5 8.602 -1.803 -1.803 42 2HB TYR 5 1HB TYR 5 7.493 -0.795 -0.795 43 HD1 TYR 5 2HD TYR 5 4.955 -1.017 -1.017 44 HD2 TYR 5 1HD TYR 5 8.029 -4.019 -4.019 45 HE1 TYR 5 2HE TYR 5 3.235 -2.783 -2.783 46 HE2 TYR 5 1HE TYR 5 6.342 -5.695 -5.695 47 HH TYR 5 HH TYR 5 3.524 -5.713 -5.713 48 H VAL 6 H VAL 6 6.878 1.983 1.983 49 HA VAL 6 HA VAL 6 9.774 2.833 2.833 50 HB VAL 6 HB VAL 6 7.512 4.657 4.657 51 1HG1 VAL 6 1HG1 VAL 6 10.289 4.966 4.966 52 2HG1 VAL 6 3HG1 VAL 6 10.062 5.204 5.204 53 3HG1 VAL 6 2HG1 VAL 6 9.156 6.186 6.186 54 1HG2 VAL 6 2HG2 VAL 6 7.884 2.544 2.544 55 2HG2 VAL 6 1HG2 VAL 6 7.814 4.126 4.126 56 3HG2 VAL 6 3HG2 VAL 6 9.371 3.355 3.355 57 H SER 7 H SER 7 10.188 4.529 4.529 58 HA SER 7 HA SER 7 8.125 4.669 4.669 59 1HB SER 7 2HB SER 7 10.085 4.896 4.896 60 2HB SER 7 1HB SER 7 10.143 3.394 3.394 61 HG SER 7 HG SER 7 11.320 5.654 5.654 62 H HIS 8 H HIS 8 7.626 6.767 6.767 63 HA HIS 8 HA HIS 8 7.900 8.981 8.981 64 1HB HIS 8 2HB HIS 8 7.549 10.236 10.236 65 2HB HIS 8 1HB HIS 8 6.336 9.051 9.051 66 HD1 HIS 8 1HD HIS 8 5.701 7.648 7.648 67 HD2 HIS 8 2HD HIS 8 9.712 8.678 8.678 68 HE1 HIS 8 1HE HIS 8 6.572 6.513 6.513 69 H ASP 9 H ASP 9 10.303 7.550 7.550 70 HA ASP 9 HA ASP 9 12.043 9.933 9.933 71 1HB ASP 9 2HB ASP 9 13.392 8.615 8.615 72 2HB ASP 9 1HB ASP 9 11.713 8.288 8.288 73 H GLY 10 H GLY 10 11.346 7.457 7.457 74 1HA GLY 10 2HA GLY 10 12.528 7.511 7.511 75 2HA GLY 10 1HA GLY 10 14.024 7.778 7.778 76 H THR 11 H THR 11 13.531 5.710 5.710 77 HA THR 11 HA THR 11 14.764 3.496 3.496 78 HB THR 11 HB THR 11 13.499 4.264 4.264 79 HG1 THR 11 1HG THR 11 15.672 3.308 3.308 80 1HG2 THR 11 3HG2 THR 11 11.761 2.546 2.546 81 2HG2 THR 11 2HG2 THR 11 13.036 1.340 1.340 82 3HG2 THR 11 1HG2 THR 11 12.502 2.254 2.254 83 H ARG 12 H ARG 12 14.093 1.908 1.908 84 HA ARG 12 HA ARG 12 11.157 1.576 1.576 85 1HB ARG 12 2HB ARG 12 13.415 2.322 2.322 86 2HB ARG 12 1HB ARG 12 12.530 0.943 0.943 87 1HG ARG 12 2HG ARG 12 10.449 2.167 2.167 88 2HG ARG 12 1HG ARG 12 11.210 3.511 3.511 89 1HD ARG 12 2HD ARG 12 12.634 2.853 2.853 90 2HD ARG 12 1HD ARG 12 10.946 3.310 3.310 91 HE ARG 12 HE ARG 12 12.508 5.001 5.001 92 1HH1 ARG 12 1HH1 ARG 12 9.968 5.016 5.016 93 2HH1 ARG 12 2HH1 ARG 12 10.423 6.450 6.450 94 1HH2 ARG 12 1HH2 ARG 12 13.568 6.638 6.638 95 2HH2 ARG 12 2HH2 ARG 12 12.461 7.369 7.369 96 H ARG 13 H ARG 13 10.499 -0.592 -0.592 97 HA ARG 13 HA ARG 13 12.583 -2.725 -2.725 98 1HB ARG 13 2HB ARG 13 10.186 -3.858 -3.858 99 2HB ARG 13 1HB ARG 13 11.579 -3.424 -3.424 100 1HG ARG 13 2HG ARG 13 9.915 -1.094 -1.094 101 2HG ARG 13 1HG ARG 13 8.968 -2.411 -2.411 102 1HD ARG 13 2HD ARG 13 11.293 -2.493 -2.493 103 2HD ARG 13 1HD ARG 13 11.038 -0.753 -0.753 104 HE ARG 13 HE ARG 13 9.188 -2.589 -2.589 105 1HH1 ARG 13 1HH2 ARG 13 8.661 -0.158 -0.158 106 2HH1 ARG 13 2HH2 ARG 13 7.841 0.912 0.912 107 1HH2 ARG 13 1HH1 ARG 13 8.608 -0.944 -0.944 108 2HH2 ARG 13 2HH1 ARG 13 7.811 0.468 0.468 109 H GLU 14 H GLU 14 11.831 -4.798 -4.798 110 HA GLU 14 HA GLU 14 9.808 -4.273 -4.273 111 1HB GLU 14 2HB GLU 14 12.466 -5.735 -5.735 112 2HB GLU 14 1HB GLU 14 11.350 -5.373 -5.373 113 1HG GLU 14 2HG GLU 14 11.636 -2.904 -2.904 114 2HG GLU 14 1HG GLU 14 13.017 -3.440 -3.440 115 H LEU 15 H LEU 15 8.181 -5.805 -5.805 116 HA LEU 15 HA LEU 15 8.896 -8.386 -8.386 117 1HB LEU 15 2HB LEU 15 6.544 -6.574 -6.574 118 2HB LEU 15 1HB LEU 15 6.181 -8.294 -8.294 119 HG LEU 15 HG LEU 15 7.841 -6.697 -6.697 120 1HD1 LEU 15 2HD1 LEU 15 5.138 -7.139 -7.139 121 2HD1 LEU 15 1HD1 LEU 15 5.705 -8.533 -8.533 122 3HD1 LEU 15 3HD1 LEU 15 6.084 -6.908 -6.908 123 1HD2 LEU 15 1HD2 LEU 15 8.237 -9.345 -9.345 124 2HD2 LEU 15 3HD2 LEU 15 8.843 -8.532 -8.532 125 3HD2 LEU 15 2HD2 LEU 15 7.306 -9.418 -9.418 126 H ASP 16 H ASP 16 8.320 -10.327 -10.327 127 HA ASP 16 HA ASP 16 7.454 -10.253 -10.253 128 1HB ASP 16 2HB ASP 16 9.097 -12.001 -12.001 129 2HB ASP 16 1HB ASP 16 8.123 -12.839 -12.839 130 H VAL 17 H VAL 17 5.203 -9.909 -9.909 131 HA VAL 17 HA VAL 17 3.855 -11.764 -11.764 132 HB VAL 17 HB VAL 17 3.022 -9.285 -9.285 133 1HG1 VAL 17 3HG1 VAL 17 1.563 -11.006 -11.006 134 2HG1 VAL 17 2HG1 VAL 17 1.088 -9.346 -9.346 135 3HG1 VAL 17 1HG1 VAL 17 1.039 -10.575 -10.575 136 1HG2 VAL 17 3HG2 VAL 17 4.320 -9.826 -9.826 137 2HG2 VAL 17 2HG2 VAL 17 4.253 -8.329 -8.329 138 3HG2 VAL 17 1HG2 VAL 17 2.911 -8.773 -8.773 139 H ALA 18 H ALA 18 1.645 -12.533 -12.533 140 HA ALA 18 HA ALA 18 1.749 -13.509 -13.509 141 1HB ALA 18 3HB ALA 18 2.176 -15.205 -15.205 142 2HB ALA 18 2HB ALA 18 0.637 -14.800 -14.800 143 3HB ALA 18 1HB ALA 18 0.664 -15.535 -15.535 144 H ASP 19 H ASP 19 -0.899 -14.721 -14.721 145 HA ASP 19 HA ASP 19 -2.548 -12.261 -12.261 146 1HB ASP 19 2HB ASP 19 -3.169 -13.332 -13.332 147 2HB ASP 19 1HB ASP 19 -2.158 -14.701 -14.701 148 H GLY 20 H GLY 20 -3.870 -11.816 -11.816 149 1HA GLY 20 2HA GLY 20 -5.795 -12.545 -12.545 150 2HA GLY 20 1HA GLY 20 -4.975 -14.093 -14.093 151 H VAL 21 H VAL 21 -2.705 -11.641 -11.641 152 HA VAL 21 HA VAL 21 -2.711 -11.687 -11.687 153 HB VAL 21 HB VAL 21 -0.688 -11.812 -11.812 154 1HG1 VAL 21 2HG1 VAL 21 -0.213 -10.288 -10.288 155 2HG1 VAL 21 1HG1 VAL 21 1.092 -10.974 -10.974 156 3HG1 VAL 21 3HG1 VAL 21 0.046 -9.745 -9.745 157 1HG2 VAL 21 2HG2 VAL 21 -1.410 -13.217 -13.217 158 2HG2 VAL 21 1HG2 VAL 21 -0.381 -13.760 -13.760 159 3HG2 VAL 21 3HG2 VAL 21 0.313 -12.821 -12.821 160 H SER 22 H SER 22 -1.574 -9.694 -9.694 161 HA SER 22 HA SER 22 -2.514 -7.186 -7.186 162 1HB SER 22 2HB SER 22 -2.154 -6.880 -6.880 163 2HB SER 22 1HB SER 22 -3.651 -6.808 -6.808 164 HG SER 22 HG SER 22 -2.559 -8.859 -8.859 165 H LEU 23 H LEU 23 -1.156 -5.245 -5.245 166 HA LEU 23 HA LEU 23 1.656 -5.771 -5.771 167 1HB LEU 23 2HB LEU 23 0.004 -3.426 -3.426 168 2HB LEU 23 1HB LEU 23 1.743 -3.355 -3.355 169 HG LEU 23 HG LEU 23 2.047 -2.982 -2.982 170 1HD1 LEU 23 3HD1 LEU 23 0.080 -5.229 -5.229 171 2HD1 LEU 23 2HD1 LEU 23 0.620 -4.262 -4.262 172 3HD1 LEU 23 1HD1 LEU 23 1.792 -5.173 -5.173 173 1HD2 LEU 23 2HD2 LEU 23 -0.925 -2.612 -2.612 174 2HD2 LEU 23 1HD2 LEU 23 0.336 -1.383 -1.383 175 3HD2 LEU 23 3HD2 LEU 23 -0.131 -2.292 -2.292 176 H MET 24 H MET 24 -0.322 -6.116 -6.116 177 HA MET 24 HA MET 24 1.839 -5.697 -5.697 178 1HB MET 24 2HB MET 24 -0.421 -4.983 -4.983 179 2HB MET 24 1HB MET 24 -1.020 -6.621 -6.621 180 1HG MET 24 2HG MET 24 1.107 -6.872 -6.872 181 2HG MET 24 1HG MET 24 0.172 -5.489 -5.489 182 1HE MET 24 2HE MET 24 0.000 -6.432 -6.432 183 2HE MET 24 1HE MET 24 -1.720 -6.656 -6.656 184 3HE MET 24 3HE MET 24 -0.610 -8.026 -8.026 185 H GLN 25 H GLN 25 -0.455 -8.362 -8.362 186 HA GLN 25 HA GLN 25 0.803 -10.288 -10.288 187 1HB GLN 25 2HB GLN 25 -0.995 -11.368 -11.368 188 2HB GLN 25 1HB GLN 25 -1.146 -10.070 -10.070 189 1HG GLN 25 2HG GLN 25 0.625 -12.487 -12.487 190 2HG GLN 25 1HG GLN 25 -0.958 -12.259 -12.259 191 1HE2 GLN 25 2HE2 GLN 25 0.661 -9.100 -9.100 192 2HE2 GLN 25 1HE2 GLN 25 -0.405 -9.240 -9.240 193 H ALA 26 H ALA 26 2.069 -9.120 -9.120 194 HA ALA 26 HA ALA 26 4.039 -11.345 -11.345 195 1HB ALA 26 3HB ALA 26 3.369 -8.956 -8.956 196 2HB ALA 26 2HB ALA 26 4.805 -9.952 -9.952 197 3HB ALA 26 1HB ALA 26 3.179 -10.671 -10.671 198 H ALA 27 H ALA 27 3.797 -7.827 -7.827 199 HA ALA 27 HA ALA 27 6.528 -7.208 -7.208 200 1HB ALA 27 3HB ALA 27 3.772 -6.057 -6.057 201 2HB ALA 27 2HB ALA 27 5.141 -5.283 -5.283 202 3HB ALA 27 1HB ALA 27 5.090 -5.414 -5.414 203 H VAL 28 H VAL 28 3.639 -7.653 -7.653 204 HA VAL 28 HA VAL 28 4.407 -7.592 -7.592 205 HB VAL 28 HB VAL 28 2.459 -8.774 -8.774 206 1HG1 VAL 28 2HG1 VAL 28 3.544 -10.650 -10.650 207 2HG1 VAL 28 1HG1 VAL 28 1.815 -10.642 -10.642 208 3HG1 VAL 28 3HG1 VAL 28 2.960 -11.007 -11.007 209 1HG2 VAL 28 3HG2 VAL 28 2.112 -7.094 -7.094 210 2HG2 VAL 28 2HG2 VAL 28 0.961 -8.435 -8.435 211 3HG2 VAL 28 1HG2 VAL 28 2.281 -8.405 -8.405 212 H SER 29 H SER 29 4.615 -10.603 -10.603 213 HA SER 29 HA SER 29 6.268 -12.048 -12.048 214 1HB SER 29 2HB SER 29 6.705 -12.803 -12.803 215 2HB SER 29 1HB SER 29 5.701 -13.619 -13.619 216 HG SER 29 HG SER 29 5.013 -11.933 -11.933 217 H ASN 30 H ASN 30 6.925 -10.176 -10.176 218 HA ASN 30 HA ASN 30 9.749 -10.575 -10.575 219 1HB ASN 30 2HB ASN 30 7.630 -8.773 -8.773 220 2HB ASN 30 1HB ASN 30 9.281 -8.185 -8.185 221 1HD2 ASN 30 2HD2 ASN 30 8.083 -11.477 -11.477 222 2HD2 ASN 30 1HD2 ASN 30 7.146 -10.925 -10.925 223 H GLY 31 H GLY 31 7.929 -9.073 -9.073 224 1HA GLY 31 2HA GLY 31 8.799 -7.967 -7.967 225 2HA GLY 31 1HA GLY 31 10.330 -7.737 -7.737 226 H ILE 32 H ILE 32 8.646 -6.704 -6.704 227 HA ILE 32 HA ILE 32 9.009 -3.973 -3.973 228 HB ILE 32 HB ILE 32 6.844 -5.672 -5.672 229 1HG1 ILE 32 2HG1 ILE 32 9.327 -4.288 -4.288 230 2HG1 ILE 32 1HG1 ILE 32 9.029 -6.024 -6.024 231 1HG2 ILE 32 3HG2 ILE 32 7.325 -2.698 -2.698 232 2HG2 ILE 32 2HG2 ILE 32 6.326 -3.675 -3.675 233 3HG2 ILE 32 1HG2 ILE 32 5.855 -3.464 -3.464 234 1HD1 ILE 32 1HD1 ILE 32 6.862 -5.169 -5.169 235 2HD1 ILE 32 3HD1 ILE 32 8.124 -4.073 -4.073 236 3HD1 ILE 32 2HD1 ILE 32 8.344 -5.817 -5.817 237 H TYR 33 H TYR 33 6.269 -5.846 -5.846 238 HA TYR 33 HA TYR 33 5.361 -3.348 -3.348 239 1HB TYR 33 2HB TYR 33 3.932 -5.864 -5.864 240 2HB TYR 33 1HB TYR 33 3.175 -4.605 -4.605 241 HD1 TYR 33 2HD TYR 33 4.259 -2.158 -2.158 242 HD2 TYR 33 1HD TYR 33 3.137 -5.676 -5.676 243 HE1 TYR 33 2HE TYR 33 3.927 -0.781 -0.781 244 HE2 TYR 33 1HE TYR 33 2.819 -4.329 -4.329 245 HH TYR 33 HH TYR 33 3.003 -2.294 -2.294 246 H ASP 34 H ASP 34 7.248 -4.043 -4.043 247 HA ASP 34 HA ASP 34 6.428 -6.116 -6.116 248 1HB ASP 34 2HB ASP 34 8.602 -5.611 -5.611 249 2HB ASP 34 1HB ASP 34 8.817 -5.683 -5.683 250 H ILE 35 H ILE 35 4.655 -3.892 -3.892 251 HA ILE 35 HA ILE 35 4.980 -1.843 -1.843 252 HB ILE 35 HB ILE 35 2.804 -1.145 -1.145 253 1HG1 ILE 35 2HG1 ILE 35 2.281 -3.037 -3.037 254 2HG1 ILE 35 1HG1 ILE 35 2.649 -3.998 -3.998 255 1HG2 ILE 35 1HG2 ILE 35 5.040 -1.986 -1.986 256 2HG2 ILE 35 3HG2 ILE 35 3.520 -1.602 -1.602 257 3HG2 ILE 35 2HG2 ILE 35 4.311 -0.396 -0.396 258 1HD1 ILE 35 2HD1 ILE 35 1.045 -2.277 -2.277 259 2HD1 ILE 35 1HD1 ILE 35 0.434 -2.026 -2.026 260 3HD1 ILE 35 3HD1 ILE 35 0.371 -3.630 -3.630 261 H VAL 36 H VAL 36 2.311 -1.714 -1.714 262 HA VAL 36 HA VAL 36 2.391 -3.664 -3.664 263 HB VAL 36 HB VAL 36 0.169 -1.724 -1.724 264 1HG1 VAL 36 2HG1 VAL 36 1.151 -3.210 -3.210 265 2HG1 VAL 36 1HG1 VAL 36 0.654 -1.544 -1.544 266 3HG1 VAL 36 3HG1 VAL 36 -0.485 -2.692 -2.692 267 1HG2 VAL 36 1HG2 VAL 36 2.978 -1.127 -1.127 268 2HG2 VAL 36 3HG2 VAL 36 1.656 -0.026 -0.026 269 3HG2 VAL 36 2HG2 VAL 36 1.992 -0.446 -0.446 270 H GLY 37 H GLY 37 -0.116 -4.460 -4.460 271 1HA GLY 37 2HA GLY 37 -0.893 -6.000 -6.000 272 2HA GLY 37 1HA GLY 37 -1.132 -6.572 -6.572 273 H ASP 38 H ASP 38 -2.260 -4.226 -4.226 274 HA ASP 38 HA ASP 38 -4.772 -3.909 -3.909 275 1HB ASP 38 2HB ASP 38 -2.949 -2.006 -2.006 276 2HB ASP 38 1HB ASP 38 -4.060 -1.917 -1.917 277 H CYS 39 H CYS 39 -3.372 -4.884 -4.884 278 HA CYS 39 HA CYS 39 -6.014 -4.957 -4.957 279 1HB CYS 39 2HB CYS 39 -4.443 -5.295 -5.295 280 2HB CYS 39 1HB CYS 39 -4.432 -3.725 -3.725 281 H GLY 40 H GLY 40 -3.089 -6.894 -6.894 282 1HA GLY 40 2HA GLY 40 -2.747 -9.223 -9.223 283 2HA GLY 40 1HA GLY 40 -4.347 -9.317 -9.317 284 H GLY 41 H GLY 41 -3.677 -7.835 -7.835 285 1HA GLY 41 2HA GLY 41 -4.210 -8.568 -8.568 286 2HA GLY 41 1HA GLY 41 -4.643 -10.145 -10.145 287 H SER 42 H SER 42 -5.938 -7.144 -7.144 288 HA SER 42 HA SER 42 -8.571 -7.828 -7.828 289 1HB SER 42 2HB SER 42 -7.996 -8.363 -8.363 290 2HB SER 42 1HB SER 42 -8.372 -6.656 -6.656 291 HG SER 42 HG SER 42 -10.121 -8.413 -8.413 292 H ALA 43 H ALA 43 -6.213 -5.483 -5.483 293 HA ALA 43 HA ALA 43 -6.170 -3.268 -3.268 294 1HB ALA 43 2HB ALA 43 -8.122 -4.485 -4.485 295 2HB ALA 43 1HB ALA 43 -9.081 -3.282 -3.282 296 3HB ALA 43 3HB ALA 43 -7.758 -2.770 -2.770 297 H SER 44 H SER 44 -6.238 -3.348 -3.348 298 HA SER 44 HA SER 44 -8.089 -1.118 -1.118 299 1HB SER 44 2HB SER 44 -9.157 -2.761 -2.761 300 2HB SER 44 1HB SER 44 -7.753 -3.818 -3.818 301 HG SER 44 HG SER 44 -7.792 -3.134 -3.134 302 H CYS 45 H CYS 45 -5.362 -1.113 -1.113 303 HA CYS 45 HA CYS 45 -3.844 -0.557 -0.557 304 1HB CYS 45 2HB CYS 45 -1.851 -0.837 -0.837 305 2HB CYS 45 1HB CYS 45 -2.677 -2.225 -2.225 306 H ALA 46 H ALA 46 -2.449 1.185 1.185 307 HA ALA 46 HA ALA 46 -3.000 3.500 3.500 308 1HB ALA 46 2HB ALA 46 -3.386 3.223 3.223 309 2HB ALA 46 1HB ALA 46 -1.773 3.934 3.934 310 3HB ALA 46 3HB ALA 46 -3.127 4.772 4.772 311 H THR 47 H THR 47 -0.742 1.153 1.153 312 HA THR 47 HA THR 47 1.592 2.973 2.973 313 HB THR 47 HB THR 47 2.827 0.843 0.843 314 HG1 THR 47 1HG THR 47 0.527 -0.211 -0.211 315 1HG2 THR 47 1HG2 THR 47 0.840 2.170 2.170 316 2HG2 THR 47 3HG2 THR 47 2.234 1.223 1.223 317 3HG2 THR 47 2HG2 THR 47 2.473 2.735 2.735 318 H CYS 48 H CYS 48 -0.065 0.085 0.085 319 HA CYS 48 HA CYS 48 1.965 -0.288 -0.288 320 1HB CYS 48 2HB CYS 48 -0.797 -1.357 -1.357 321 2HB CYS 48 1HB CYS 48 0.743 -2.098 -2.098 322 H HIS 49 H HIS 49 -0.052 2.238 2.238 323 HA HIS 49 HA HIS 49 -1.564 2.516 2.516 324 1HB HIS 49 2HB HIS 49 -1.508 4.052 4.052 325 2HB HIS 49 1HB HIS 49 0.077 4.620 4.620 326 HD1 HIS 49 1HD HIS 49 -0.991 7.023 7.023 327 HD2 HIS 49 2HD HIS 49 -2.534 4.050 4.050 328 HE1 HIS 49 1HE HIS 49 -2.228 8.202 8.202 329 H VAL 50 H VAL 50 -1.014 3.365 3.365 330 HA VAL 50 HA VAL 50 1.791 3.974 3.974 331 HB VAL 50 HB VAL 50 1.807 2.076 2.076 332 1HG1 VAL 50 1HG1 VAL 50 2.957 2.063 2.063 333 2HG1 VAL 50 3HG1 VAL 50 1.581 1.137 1.137 334 3HG1 VAL 50 2HG1 VAL 50 2.601 0.477 0.477 335 1HG2 VAL 50 1HG2 VAL 50 -0.735 1.819 1.819 336 2HG2 VAL 50 3HG2 VAL 50 0.212 0.329 0.329 337 3HG2 VAL 50 2HG2 VAL 50 -0.395 0.947 0.947 338 H TYR 51 H TYR 51 2.027 4.510 4.510 339 HA TYR 51 HA TYR 51 -0.537 5.433 5.433 340 1HB TYR 51 2HB TYR 51 2.136 6.668 6.668 341 2HB TYR 51 1HB TYR 51 1.323 7.068 7.068 342 HD1 TYR 51 1HD TYR 51 0.210 6.473 6.473 343 HD2 TYR 51 2HD TYR 51 0.147 9.094 9.094 344 HE1 TYR 51 1HE TYR 51 -1.376 7.941 7.941 345 HE2 TYR 51 2HE TYR 51 -1.397 10.613 10.613 346 HH TYR 51 HH TYR 51 -2.237 10.060 10.060 347 H VAL 52 H VAL 52 -0.922 4.361 4.361 348 HA VAL 52 HA VAL 52 1.280 2.793 2.793 349 HB VAL 52 HB VAL 52 -1.646 2.946 2.946 350 1HG1 VAL 52 3HG1 VAL 52 0.265 1.825 1.825 351 2HG1 VAL 52 2HG1 VAL 52 0.135 0.534 0.534 352 3HG1 VAL 52 1HG1 VAL 52 -1.270 0.985 0.985 353 1HG2 VAL 52 3HG2 VAL 52 -0.298 1.749 1.749 354 2HG2 VAL 52 2HG2 VAL 52 -2.009 2.098 2.098 355 3HG2 VAL 52 1HG2 VAL 52 -1.307 0.616 0.616 356 H ASN 53 H ASN 53 1.891 3.113 3.113 357 HA ASN 53 HA ASN 53 1.615 5.879 5.879 358 1HB ASN 53 2HB ASN 53 2.845 4.987 4.987 359 2HB ASN 53 1HB ASN 53 3.659 4.660 4.660 360 1HD2 ASN 53 2HD2 ASN 53 1.863 1.214 1.214 361 2HD2 ASN 53 1HD2 ASN 53 1.053 2.528 2.528 362 H GLU 54 H GLU 54 0.055 6.676 6.676 363 HA GLU 54 HA GLU 54 -2.411 5.706 5.706 364 1HB GLU 54 2HB GLU 54 -2.354 7.155 7.155 365 2HB GLU 54 1HB GLU 54 -1.622 7.922 7.922 366 1HG GLU 54 2HG GLU 54 0.584 6.791 6.791 367 2HG GLU 54 1HG GLU 54 -0.309 6.838 6.838 368 H ALA 55 H ALA 55 0.492 4.613 4.613 369 HA ALA 55 HA ALA 55 -0.808 3.361 3.361 370 1HB ALA 55 2HB ALA 55 1.815 3.093 3.093 371 2HB ALA 55 1HB ALA 55 1.421 1.987 1.987 372 3HB ALA 55 3HB ALA 55 1.503 3.723 3.723 373 H PHE 56 H PHE 56 -0.623 2.399 2.399 374 HA PHE 56 HA PHE 56 -1.741 -0.281 -0.281 375 1HB PHE 56 2HB PHE 56 0.230 0.503 0.503 376 2HB PHE 56 1HB PHE 56 -0.460 -1.114 -1.114 377 HD1 PHE 56 1HD PHE 56 1.431 1.493 1.493 378 HD2 PHE 56 2HD PHE 56 0.506 -2.728 -2.728 379 HE1 PHE 56 1HE PHE 56 3.039 1.018 1.018 380 HE2 PHE 56 2HE PHE 56 2.109 -3.145 -3.145 381 HZ PHE 56 HZ PHE 56 3.378 -1.301 -1.301 382 H THR 57 H THR 57 -2.174 2.611 2.611 383 HA THR 57 HA THR 57 -3.976 1.507 1.507 384 HB THR 57 HB THR 57 -3.818 3.605 3.605 385 HG1 THR 57 1HG THR 57 -5.161 4.771 4.771 386 1HG2 THR 57 3HG2 THR 57 -1.480 3.205 3.205 387 2HG2 THR 57 2HG2 THR 57 -1.930 4.270 4.270 388 3HG2 THR 57 1HG2 THR 57 -1.892 4.891 4.891 389 H ASP 58 H ASP 58 -4.276 3.543 3.543 390 HA ASP 58 HA ASP 58 -7.133 3.593 3.593 391 1HB ASP 58 2HB ASP 58 -6.694 4.771 4.771 392 2HB ASP 58 1HB ASP 58 -5.078 4.827 4.827 393 H LYS 59 H LYS 59 -4.799 1.174 1.174 394 HA LYS 59 HA LYS 59 -6.411 -0.448 -0.448 395 1HB LYS 59 2HB LYS 59 -4.182 -1.389 -1.389 396 2HB LYS 59 1HB LYS 59 -4.560 -1.918 -1.918 397 1HG LYS 59 2HG LYS 59 -3.242 0.667 0.667 398 2HG LYS 59 1HG LYS 59 -2.626 -0.564 -0.564 399 1HD LYS 59 2HD LYS 59 -5.105 1.083 1.083 400 2HD LYS 59 1HD LYS 59 -3.497 1.505 1.505 401 1HE LYS 59 2HE LYS 59 -3.349 -0.515 -0.515 402 2HE LYS 59 1HE LYS 59 -4.809 -1.178 -1.178 403 1HZ LYS 59 3HZ LYS 59 -4.823 1.427 1.427 404 2HZ LYS 59 2HZ LYS 59 -5.113 -0.030 -0.030 405 3HZ LYS 59 1HZ LYS 59 -6.147 0.458 0.458 406 H VAL 60 H VAL 60 -5.148 -0.791 -0.791 407 HA VAL 60 HA VAL 60 -6.770 -3.031 -3.031 408 HB VAL 60 HB VAL 60 -4.374 -1.945 -1.945 409 1HG1 VAL 60 3HG1 VAL 60 -5.263 0.006 0.006 410 2HG1 VAL 60 2HG1 VAL 60 -6.073 -1.009 -1.009 411 3HG1 VAL 60 1HG1 VAL 60 -4.310 -0.960 -0.960 412 1HG2 VAL 60 3HG2 VAL 60 -6.082 -3.752 -3.752 413 2HG2 VAL 60 2HG2 VAL 60 -4.675 -4.107 -4.107 414 3HG2 VAL 60 1HG2 VAL 60 -4.465 -3.319 -3.319 415 HA PRO 61 HA PRO 61 -10.314 -0.734 -0.734 416 1HB PRO 61 2HB PRO 61 -11.355 -2.574 -2.574 417 2HB PRO 61 1HB PRO 61 -11.487 -2.692 -2.692 418 1HG PRO 61 2HG PRO 61 -9.576 -4.045 -4.045 419 2HG PRO 61 1HG PRO 61 -10.429 -4.703 -4.703 420 1HD PRO 61 2HD PRO 61 -7.834 -3.969 -3.969 421 2HD PRO 61 1HD PRO 61 -8.925 -3.790 -3.790 422 H ALA 62 H ALA 62 -11.236 0.231 0.231 423 HA ALA 62 HA ALA 62 -9.269 1.117 1.117 424 1HB ALA 62 1HB ALA 62 -11.544 2.039 2.039 425 2HB ALA 62 3HB ALA 62 -12.051 1.904 1.904 426 3HB ALA 62 2HB ALA 62 -10.657 2.899 2.899 427 H ALA 63 H ALA 63 -10.695 1.496 1.496 428 HA ALA 63 HA ALA 63 -11.229 -1.287 -1.287 429 1HB ALA 63 2HB ALA 63 -10.184 1.246 1.246 430 2HB ALA 63 1HB ALA 63 -10.619 -0.186 -0.186 431 3HB ALA 63 3HB ALA 63 -9.317 -0.270 -0.270 432 H ASN 64 H ASN 64 -12.534 -0.795 -0.795 433 HA ASN 64 HA ASN 64 -15.126 0.351 0.351 434 1HB ASN 64 2HB ASN 64 -16.040 -1.011 -1.011 435 2HB ASN 64 1HB ASN 64 -14.944 -1.995 -1.995 436 1HD2 ASN 64 2HD2 ASN 64 -13.807 -2.750 -2.750 437 2HD2 ASN 64 1HD2 ASN 64 -15.021 -3.200 -3.200 438 H GLU 65 H GLU 65 -15.933 0.515 0.515 439 HA GLU 65 HA GLU 65 -15.176 3.310 3.310 440 1HB GLU 65 2HB GLU 65 -16.860 3.176 3.176 441 2HB GLU 65 1HB GLU 65 -17.430 2.146 2.146 442 1HG GLU 65 2HG GLU 65 -17.720 0.678 0.678 443 2HG GLU 65 1HG GLU 65 -16.042 0.305 0.305 444 H ARG 66 H ARG 66 -14.144 0.170 0.170 445 HA ARG 66 HA ARG 66 -12.944 0.966 0.966 446 1HB ARG 66 2HB ARG 66 -13.188 -1.333 -1.333 447 2HB ARG 66 1HB ARG 66 -11.476 -1.122 -1.122 448 1HG ARG 66 2HG ARG 66 -12.029 -0.961 -0.961 449 2HG ARG 66 1HG ARG 66 -13.732 -1.232 -1.232 450 1HD ARG 66 2HD ARG 66 -11.584 -3.186 -3.186 451 2HD ARG 66 1HD ARG 66 -12.397 -3.314 -3.314 452 HE ARG 66 HE ARG 66 -13.653 -3.758 -3.758 453 1HH1 ARG 66 1HH2 ARG 66 -15.813 -2.304 -2.304 454 2HH1 ARG 66 2HH2 ARG 66 -16.667 -3.167 -3.167 455 1HH2 ARG 66 1HH1 ARG 66 -13.980 -5.205 -5.205 456 2HH2 ARG 66 2HH1 ARG 66 -15.629 -4.809 -4.809 457 H GLU 67 H GLU 67 -11.535 0.522 0.522 458 HA GLU 67 HA GLU 67 -8.894 1.386 1.386 459 1HB GLU 67 2HB GLU 67 -9.335 0.268 0.268 460 2HB GLU 67 1HB GLU 67 -10.689 1.323 1.323 461 1HG GLU 67 2HG GLU 67 -8.541 1.733 1.733 462 2HG GLU 67 1HG GLU 67 -9.238 3.145 3.145 463 H ILE 68 H ILE 68 -11.813 3.196 3.196 464 HA ILE 68 HA ILE 68 -10.487 5.735 5.735 465 HB ILE 68 HB ILE 68 -13.257 4.716 4.716 466 1HG1 ILE 68 2HG1 ILE 68 -13.716 5.579 5.579 467 2HG1 ILE 68 1HG1 ILE 68 -12.224 6.519 6.519 468 1HG2 ILE 68 1HG2 ILE 68 -12.968 6.838 6.838 469 2HG2 ILE 68 3HG2 ILE 68 -12.571 7.663 7.663 470 3HG2 ILE 68 2HG2 ILE 68 -14.172 6.956 6.956 471 1HD1 ILE 68 2HD1 ILE 68 -12.126 3.527 3.527 472 2HD1 ILE 68 1HD1 ILE 68 -12.277 4.248 4.248 473 3HD1 ILE 68 3HD1 ILE 68 -10.876 4.618 4.618 474 H GLY 69 H GLY 69 -11.158 3.874 3.874 475 1HA GLY 69 2HA GLY 69 -11.041 6.234 6.234 476 2HA GLY 69 1HA GLY 69 -11.302 4.578 4.578 477 H MET 70 H MET 70 -9.228 3.132 3.132 478 HA MET 70 HA MET 70 -7.035 3.831 3.831 479 1HB MET 70 2HB MET 70 -7.062 2.444 2.444 480 2HB MET 70 1HB MET 70 -5.750 2.360 2.360 481 1HG MET 70 2HG MET 70 -6.744 0.458 0.458 482 2HG MET 70 1HG MET 70 -7.836 1.514 1.514 483 1HE MET 70 3HE MET 70 -6.995 -0.566 -0.566 484 2HE MET 70 2HE MET 70 -8.340 -0.516 -0.516 485 3HE MET 70 1HE MET 70 -7.294 0.906 0.906 486 H LEU 71 H LEU 71 -7.525 4.233 4.233 487 HA LEU 71 HA LEU 71 -5.136 5.618 5.618 488 1HB LEU 71 2HB LEU 71 -6.996 4.220 4.220 489 2HB LEU 71 1HB LEU 71 -7.802 5.784 5.784 490 HG LEU 71 HG LEU 71 -5.394 4.727 4.727 491 1HD1 LEU 71 2HD1 LEU 71 -7.903 5.998 5.998 492 2HD1 LEU 71 1HD1 LEU 71 -6.592 6.963 6.963 493 3HD1 LEU 71 3HD1 LEU 71 -6.755 5.260 5.260 494 1HD2 LEU 71 1HD2 LEU 71 -5.565 7.578 7.578 495 2HD2 LEU 71 3HD2 LEU 71 -4.233 6.443 6.443 496 3HD2 LEU 71 2HD2 LEU 71 -4.584 7.102 7.102 497 H GLU 72 H GLU 72 -8.325 6.697 6.697 498 HA GLU 72 HA GLU 72 -7.975 9.501 9.501 499 1HB GLU 72 2HB GLU 72 -10.187 8.867 8.867 500 2HB GLU 72 1HB GLU 72 -9.789 7.752 7.752 501 1HG GLU 72 2HG GLU 72 -10.075 9.336 9.336 502 2HG GLU 72 1HG GLU 72 -9.185 10.550 10.550 503 H CYS 73 H CYS 73 -7.428 7.544 7.544 504 HA CYS 73 HA CYS 73 -6.819 9.539 9.539 505 1HB CYS 73 2HB CYS 73 -6.401 6.732 6.732 506 2HB CYS 73 1HB CYS 73 -4.904 7.424 7.424 507 HG CYS 73 HG CYS 73 -7.257 6.890 6.890 508 H VAL 74 H VAL 74 -4.695 8.155 8.155 509 HA VAL 74 HA VAL 74 -2.514 10.022 10.022 510 HB VAL 74 HB VAL 74 -1.401 8.764 8.764 511 1HG1 VAL 74 3HG1 VAL 74 -1.096 8.155 8.155 512 2HG1 VAL 74 2HG1 VAL 74 -2.537 7.141 7.141 513 3HG1 VAL 74 1HG1 VAL 74 -1.110 6.722 6.722 514 1HG2 VAL 74 1HG2 VAL 74 -3.711 8.133 8.133 515 2HG2 VAL 74 3HG2 VAL 74 -2.480 6.874 6.874 516 3HG2 VAL 74 2HG2 VAL 74 -3.751 6.885 6.885 517 H THR 75 H THR 75 -4.341 11.722 11.722 518 HA THR 75 HA THR 75 -5.137 12.323 12.323 519 HB THR 75 HB THR 75 -5.740 13.521 13.521 520 HG1 THR 75 1HG THR 75 -5.557 15.640 15.640 521 1HG2 THR 75 3HG2 THR 75 -2.898 13.711 13.711 522 2HG2 THR 75 2HG2 THR 75 -3.546 15.350 15.350 523 3HG2 THR 75 1HG2 THR 75 -4.118 14.234 14.234 524 H ALA 76 H ALA 76 -3.419 11.736 11.736 525 HA ALA 76 HA ALA 76 -1.204 13.761 13.761 526 1HB ALA 76 2HB ALA 76 -1.122 10.918 10.918 527 2HB ALA 76 1HB ALA 76 -0.432 11.294 11.294 528 3HB ALA 76 3HB ALA 76 0.235 12.036 12.036 529 H GLU 77 H GLU 77 -2.929 14.781 14.781 530 HA GLU 77 HA GLU 77 -3.942 15.065 15.065 531 1HB GLU 77 2HB GLU 77 -2.153 15.119 15.119 532 2HB GLU 77 1HB GLU 77 -1.616 15.868 15.868 533 1HG GLU 77 2HG GLU 77 -0.358 13.921 13.921 534 2HG GLU 77 1HG GLU 77 -1.078 12.967 12.967 535 H LEU 78 H LEU 78 -4.981 12.924 12.924 536 HA LEU 78 HA LEU 78 -4.410 10.410 10.410 537 1HB LEU 78 2HB LEU 78 -6.305 11.742 11.742 538 2HB LEU 78 1HB LEU 78 -7.225 11.017 11.017 539 HG LEU 78 HG LEU 78 -5.665 8.927 8.927 540 1HD1 LEU 78 1HD1 LEU 78 -5.051 10.751 10.751 541 2HD1 LEU 78 3HD1 LEU 78 -5.955 9.410 9.410 542 3HD1 LEU 78 2HD1 LEU 78 -4.478 9.096 9.096 543 1HD2 LEU 78 1HD2 LEU 78 -8.160 9.825 9.825 544 2HD2 LEU 78 3HD2 LEU 78 -8.028 8.705 8.705 545 3HD2 LEU 78 2HD2 LEU 78 -7.469 8.221 8.221 546 H LYS 79 H LYS 79 -4.333 9.839 9.839 547 HA LYS 79 HA LYS 79 -6.078 11.276 11.276 548 1HB LYS 79 2HB LYS 79 -4.084 9.352 9.352 549 2HB LYS 79 1HB LYS 79 -4.346 11.026 11.026 550 1HG LYS 79 2HG LYS 79 -3.259 11.435 11.435 551 2HG LYS 79 1HG LYS 79 -2.510 9.890 9.890 552 1HD LYS 79 2HD LYS 79 -1.056 10.951 10.951 553 2HD LYS 79 1HD LYS 79 -2.403 11.515 11.515 554 1HE LYS 79 2HE LYS 79 -2.725 13.354 13.354 555 2HE LYS 79 1HE LYS 79 -1.109 12.903 12.903 556 1HZ LYS 79 2HZ LYS 79 -0.536 12.983 12.983 557 2HZ LYS 79 1HZ LYS 79 -1.903 13.986 13.986 558 3HZ LYS 79 3HZ LYS 79 -0.601 14.433 14.433 559 HA PRO 80 HA PRO 80 -8.215 7.504 7.504 560 1HB PRO 80 2HB PRO 80 -7.723 6.667 6.667 561 2HB PRO 80 1HB PRO 80 -8.746 8.068 8.068 562 1HG PRO 80 2HG PRO 80 -5.954 7.963 7.963 563 2HG PRO 80 1HG PRO 80 -7.223 9.151 9.151 564 1HD PRO 80 2HD PRO 80 -5.128 9.513 9.513 565 2HD PRO 80 1HD PRO 80 -6.652 10.421 10.421 566 H ASN 81 H ASN 81 -4.836 7.309 7.309 567 HA ASN 81 HA ASN 81 -4.761 4.373 4.373 568 1HB ASN 81 2HB ASN 81 -2.363 4.767 4.767 569 2HB ASN 81 1HB ASN 81 -3.430 5.588 5.588 570 1HD2 ASN 81 2HD2 ASN 81 -0.948 8.124 8.124 571 2HD2 ASN 81 1HD2 ASN 81 -1.000 6.694 6.694 572 H SER 82 H SER 82 -4.022 7.179 7.179 573 HA SER 82 HA SER 82 -2.285 6.090 6.090 574 1HB SER 82 2HB SER 82 -4.770 7.683 7.683 575 2HB SER 82 1HB SER 82 -3.192 7.804 7.804 576 HG SER 82 HG SER 82 -2.677 8.286 8.286 577 H ARG 83 H ARG 83 -2.640 3.933 3.933 578 HA ARG 83 HA ARG 83 -5.225 3.453 3.453 579 1HB ARG 83 2HB ARG 83 -4.521 2.451 2.451 580 2HB ARG 83 1HB ARG 83 -4.499 1.090 1.090 581 1HG ARG 83 2HG ARG 83 -6.737 1.025 1.025 582 2HG ARG 83 1HG ARG 83 -6.772 2.576 2.576 583 1HD ARG 83 2HD ARG 83 -7.989 2.978 2.978 584 2HD ARG 83 1HD ARG 83 -6.372 3.605 3.605 585 HE ARG 83 HE ARG 83 -6.625 0.770 0.770 586 1HH1 ARG 83 1HH1 ARG 83 -8.365 3.358 3.358 587 2HH1 ARG 83 2HH1 ARG 83 -7.809 3.227 3.227 588 1HH2 ARG 83 1HH2 ARG 83 -5.385 0.859 0.859 589 2HH2 ARG 83 2HH2 ARG 83 -6.122 1.812 1.812 590 H LEU 84 H LEU 84 -5.136 1.290 1.290 591 HA LEU 84 HA LEU 84 -2.646 1.188 1.188 592 1HB LEU 84 2HB LEU 84 -5.426 0.675 0.675 593 2HB LEU 84 1HB LEU 84 -4.565 -0.814 -0.814 594 HG LEU 84 HG LEU 84 -4.069 1.913 1.913 595 1HD1 LEU 84 2HD1 LEU 84 -5.369 -0.632 -0.632 596 2HD1 LEU 84 1HD1 LEU 84 -4.424 0.170 0.170 597 3HD1 LEU 84 3HD1 LEU 84 -5.743 1.024 1.024 598 1HD2 LEU 84 2HD2 LEU 84 -2.503 -0.665 -0.665 599 2HD2 LEU 84 1HD2 LEU 84 -1.922 0.969 0.969 600 3HD2 LEU 84 3HD2 LEU 84 -2.403 0.485 0.485 601 H SER 85 H SER 85 -1.109 -0.389 -0.389 602 HA SER 85 HA SER 85 -0.542 -1.980 -1.980 603 1HB SER 85 2HB SER 85 1.004 -2.961 -2.961 604 2HB SER 85 1HB SER 85 0.588 -1.572 -1.572 605 HG SER 85 HG SER 85 0.544 -3.767 -3.767 606 H CYS 86 H CYS 86 -2.875 -2.683 -2.683 607 HA CYS 86 HA CYS 86 -3.318 -5.397 -5.397 608 1HB CYS 86 2HB CYS 86 -4.554 -4.186 -4.186 609 2HB CYS 86 1HB CYS 86 -4.272 -5.883 -5.883 610 H GLN 87 H GLN 87 -4.224 -3.100 -3.100 611 HA GLN 87 HA GLN 87 -7.132 -3.649 -3.649 612 1HB GLN 87 2HB GLN 87 -5.604 -1.117 -1.117 613 2HB GLN 87 1HB GLN 87 -7.091 -1.175 -1.175 614 1HG GLN 87 2HG GLN 87 -6.810 -1.769 -1.769 615 2HG GLN 87 1HG GLN 87 -7.624 -0.385 -0.385 616 1HE2 GLN 87 2HE2 GLN 87 -9.497 -4.033 -4.033 617 2HE2 GLN 87 1HE2 GLN 87 -7.836 -3.930 -3.930 618 H ILE 88 H ILE 88 -4.536 -2.524 -2.524 619 HA ILE 88 HA ILE 88 -6.203 -3.101 -3.101 620 HB ILE 88 HB ILE 88 -3.257 -2.808 -2.808 621 1HG1 ILE 88 2HG1 ILE 88 -5.094 -0.663 -0.663 622 2HG1 ILE 88 1HG1 ILE 88 -3.540 -1.189 -1.189 623 1HG2 ILE 88 2HG2 ILE 88 -5.527 -2.640 -2.640 624 2HG2 ILE 88 1HG2 ILE 88 -4.985 -0.972 -0.972 625 3HG2 ILE 88 3HG2 ILE 88 -3.880 -2.191 -2.191 626 1HD1 ILE 88 1HD1 ILE 88 -3.127 -0.358 -0.358 627 2HD1 ILE 88 3HD1 ILE 88 -4.042 0.903 0.903 628 3HD1 ILE 88 2HD1 ILE 88 -2.488 0.376 0.376 629 H ILE 89 H ILE 89 -5.826 -4.749 -4.749 630 HA ILE 89 HA ILE 89 -4.374 -7.120 -7.120 631 HB ILE 89 HB ILE 89 -6.844 -6.718 -6.718 632 1HG1 ILE 89 2HG1 ILE 89 -7.322 -6.797 -6.797 633 2HG1 ILE 89 1HG1 ILE 89 -7.691 -8.413 -8.413 634 1HG2 ILE 89 2HG2 ILE 89 -5.390 -8.424 -8.424 635 2HG2 ILE 89 1HG2 ILE 89 -5.379 -9.336 -9.336 636 3HG2 ILE 89 3HG2 ILE 89 -6.889 -9.109 -9.109 637 1HD1 ILE 89 1HD1 ILE 89 -5.279 -9.028 -9.028 638 2HD1 ILE 89 3HD1 ILE 89 -5.259 -7.509 -7.509 639 3HD1 ILE 89 2HD1 ILE 89 -6.417 -8.771 -8.771 640 H MET 90 H MET 90 -3.310 -8.479 -8.479 641 HA MET 90 HA MET 90 -2.266 -6.869 -6.869 642 1HB MET 90 2HB MET 90 -1.008 -8.119 -8.119 643 2HB MET 90 1HB MET 90 -0.849 -9.310 -9.310 644 1HG MET 90 2HG MET 90 0.091 -6.437 -6.437 645 2HG MET 90 1HG MET 90 1.059 -7.897 -7.897 646 1HE MET 90 2HE MET 90 1.047 -5.382 -5.382 647 2HE MET 90 1HE MET 90 1.343 -5.792 -5.792 648 3HE MET 90 3HE MET 90 -0.178 -5.017 -5.017 649 H THR 91 H THR 91 -3.116 -7.506 -7.506 650 HA THR 91 HA THR 91 -4.198 -10.258 -10.258 651 HB THR 91 HB THR 91 -4.691 -8.947 -8.947 652 HG1 THR 91 1HG THR 91 -5.092 -6.782 -6.782 653 1HG2 THR 91 1HG2 THR 91 -6.194 -8.634 -8.634 654 2HG2 THR 91 3HG2 THR 91 -6.868 -8.342 -8.342 655 3HG2 THR 91 2HG2 THR 91 -6.369 -9.969 -9.969 656 HA PRO 92 HA PRO 92 -0.847 -11.587 -11.587 657 1HB PRO 92 2HB PRO 92 -2.089 -13.181 -13.181 658 2HB PRO 92 1HB PRO 92 -1.901 -13.632 -13.632 659 1HG PRO 92 2HG PRO 92 -4.291 -12.675 -12.675 660 2HG PRO 92 1HG PRO 92 -4.164 -13.745 -13.745 661 1HD PRO 92 2HD PRO 92 -4.866 -11.039 -11.039 662 2HD PRO 92 1HD PRO 92 -4.386 -12.023 -12.023 663 H GLU 93 H GLU 93 -3.104 -9.446 -9.446 664 HA GLU 93 HA GLU 93 -1.730 -9.268 -9.268 665 1HB GLU 93 2HB GLU 93 -3.777 -8.154 -8.154 666 2HB GLU 93 1HB GLU 93 -4.216 -9.644 -9.644 667 1HG GLU 93 2HG GLU 93 -5.642 -8.188 -8.188 668 2HG GLU 93 1HG GLU 93 -4.225 -8.008 -8.008 669 H LEU 94 H LEU 94 -2.563 -7.533 -7.533 670 HA LEU 94 HA LEU 94 -1.516 -4.954 -4.954 671 1HB LEU 94 2HB LEU 94 -3.061 -6.071 -6.071 672 2HB LEU 94 1HB LEU 94 -1.915 -4.836 -4.836 673 HG LEU 94 HG LEU 94 -3.915 -4.527 -4.527 674 1HD1 LEU 94 1HD1 LEU 94 -4.726 -4.595 -4.595 675 2HD1 LEU 94 3HD1 LEU 94 -3.874 -3.063 -3.063 676 3HD1 LEU 94 2HD1 LEU 94 -5.202 -3.209 -3.209 677 1HD2 LEU 94 3HD2 LEU 94 -1.491 -3.311 -3.311 678 2HD2 LEU 94 2HD2 LEU 94 -2.899 -2.527 -2.527 679 3HD2 LEU 94 1HD2 LEU 94 -2.494 -2.221 -2.221 680 H ASP 95 H ASP 95 0.696 -6.350 -6.350 681 HA ASP 95 HA ASP 95 2.099 -6.501 -6.501 682 1HB ASP 95 2HB ASP 95 3.774 -7.742 -7.742 683 2HB ASP 95 1HB ASP 95 2.210 -8.509 -8.509 684 H GLY 96 H GLY 96 4.068 -5.525 -5.525 685 1HA GLY 96 2HA GLY 96 5.982 -4.134 -4.134 686 2HA GLY 96 1HA GLY 96 5.052 -3.558 -3.558 687 H ILE 97 H ILE 97 3.634 -3.871 -3.871 688 HA ILE 97 HA ILE 97 2.796 -1.103 -1.103 689 HB ILE 97 HB ILE 97 1.337 -2.880 -2.880 690 1HG1 ILE 97 2HG1 ILE 97 1.447 -0.467 -0.467 691 2HG1 ILE 97 1HG1 ILE 97 0.381 -1.694 -1.694 692 1HG2 ILE 97 1HG2 ILE 97 3.575 -3.333 -3.333 693 2HG2 ILE 97 3HG2 ILE 97 1.933 -3.865 -3.865 694 3HG2 ILE 97 2HG2 ILE 97 2.776 -4.501 -4.501 695 1HD1 ILE 97 2HD1 ILE 97 3.134 -1.727 -1.727 696 2HD1 ILE 97 1HD1 ILE 97 2.212 -0.274 -0.274 697 3HD1 ILE 97 3HD1 ILE 97 1.595 -1.859 -1.859 698 H VAL 98 H VAL 98 3.550 0.612 0.612 699 HA VAL 98 HA VAL 98 5.943 0.257 0.257 700 HB VAL 98 HB VAL 98 4.777 2.755 2.755 701 1HG1 VAL 98 3HG1 VAL 98 7.312 2.010 2.010 702 2HG1 VAL 98 2HG1 VAL 98 7.407 3.197 3.197 703 3HG1 VAL 98 1HG1 VAL 98 6.374 3.502 3.502 704 1HG2 VAL 98 2HG2 VAL 98 5.289 0.928 0.928 705 2HG2 VAL 98 1HG2 VAL 98 6.229 2.405 2.405 706 3HG2 VAL 98 3HG2 VAL 98 6.966 0.993 0.993 707 H VAL 99 H VAL 99 5.595 0.533 0.533 708 HA VAL 99 HA VAL 99 3.041 1.844 1.844 709 HB VAL 99 HB VAL 99 4.889 0.589 0.589 710 1HG1 VAL 99 1HG1 VAL 99 2.022 1.069 1.069 711 2HG1 VAL 99 3HG1 VAL 99 2.403 -0.509 -0.509 712 3HG1 VAL 99 2HG1 VAL 99 2.995 0.974 0.974 713 1HG2 VAL 99 2HG2 VAL 99 3.904 -0.815 -0.815 714 2HG2 VAL 99 1HG2 VAL 99 5.184 -1.236 -1.236 715 3HG2 VAL 99 3HG2 VAL 99 3.507 -1.595 -1.595 716 H ASP 100 H ASP 100 3.453 2.836 2.836 717 HA ASP 100 HA ASP 100 6.038 4.083 4.083 718 1HB ASP 100 2HB ASP 100 3.675 5.592 5.592 719 2HB ASP 100 1HB ASP 100 4.932 6.429 6.429 720 H VAL 101 H VAL 101 6.201 4.938 4.938 721 HA VAL 101 HA VAL 101 3.893 4.224 4.224 722 HB VAL 101 HB VAL 101 6.655 5.319 5.319 723 1HG1 VAL 101 3HG1 VAL 101 4.782 6.061 6.061 724 2HG1 VAL 101 2HG1 VAL 101 4.722 4.365 4.365 725 3HG1 VAL 101 1HG1 VAL 101 6.206 5.293 5.293 726 1HG2 VAL 101 2HG2 VAL 101 6.286 2.885 2.885 727 2HG2 VAL 101 1HG2 VAL 101 7.134 3.118 3.118 728 3HG2 VAL 101 3HG2 VAL 101 5.426 2.674 2.674 729 HA PRO 102 HA PRO 102 2.423 8.341 8.341 730 1HB PRO 102 2HB PRO 102 0.505 8.073 8.073 731 2HB PRO 102 1HB PRO 102 0.389 7.341 7.341 732 1HG PRO 102 2HG PRO 102 0.801 6.056 6.056 733 2HG PRO 102 1HG PRO 102 0.390 5.345 5.345 734 1HD PRO 102 2HD PRO 102 2.977 5.484 5.484 735 2HD PRO 102 1HD PRO 102 2.495 4.564 4.564 736 H ASP 103 H ASP 103 3.331 10.187 10.187 737 HA ASP 103 HA ASP 103 4.051 10.175 10.175 738 1HB ASP 103 2HB ASP 103 5.988 10.491 10.491 739 2HB ASP 103 1HB ASP 103 5.144 11.525 11.525 740 H ARG 104 H ARG 104 2.530 11.266 11.266 741 HA ARG 104 HA ARG 104 1.156 13.582 13.582 742 1HB ARG 104 2HB ARG 104 -0.072 12.691 12.691 743 2HB ARG 104 1HB ARG 104 -0.764 12.771 12.771 744 1HG ARG 104 2HG ARG 104 -0.884 10.511 10.511 745 2HG ARG 104 1HG ARG 104 0.814 10.544 10.544 746 1HD ARG 104 2HD ARG 104 -0.391 10.322 10.322 747 2HD ARG 104 1HD ARG 104 0.787 9.248 9.248 748 HE ARG 104 HE ARG 104 1.565 12.079 12.079 749 1HH1 ARG 104 1HH2 ARG 104 3.954 11.171 11.171 750 2HH1 ARG 104 2HH2 ARG 104 4.543 10.238 10.238 751 1HH2 ARG 104 1HH1 ARG 104 1.411 9.811 9.811 752 2HH2 ARG 104 2HH1 ARG 104 3.103 9.469 9.469 753 H GLN 105 H GLN 105 3.640 12.965 12.965 754 HA GLN 105 HA GLN 105 3.097 15.445 15.445 755 1HB GLN 105 2HB GLN 105 3.309 12.987 12.987 756 2HB GLN 105 1HB GLN 105 5.035 13.313 13.313 757 1HG GLN 105 2HG GLN 105 3.556 15.558 15.558 758 2HG GLN 105 1HG GLN 105 3.449 14.087 14.087 759 1HE2 GLN 105 2HE2 GLN 105 6.591 15.962 15.962 760 2HE2 GLN 105 1HE2 GLN 105 4.948 16.388 16.388 761 H TRP 106 H TRP 106 4.140 16.124 16.124 762 HA TRP 106 HA TRP 106 6.985 15.802 15.802 763 1HB TRP 106 2HB TRP 106 5.392 16.402 16.402 764 2HB TRP 106 1HB TRP 106 5.045 17.926 17.926 765 HD1 TRP 106 HD TRP 106 6.828 19.846 19.846 766 HE1 TRP 106 1HE TRP 106 8.932 20.185 20.185 767 HE3 TRP 106 3HE TRP 106 7.400 15.117 15.117 768 HZ2 TRP 106 2HZ TRP 106 10.634 18.652 18.652 769 HZ3 TRP 106 3HZ TRP 106 9.270 14.583 14.583 770 HH2 TRP 106 HH TRP 106 10.886 16.344 16.344 Start of MODEL 7 1 1H SER 1 2HT SER 1 2.104 -9.929 -9.929 2 2H SER 1 1HT SER 1 0.695 -9.694 -9.694 3 3H SER 1 3HT SER 1 1.385 -11.235 -11.235 4 HA SER 1 HA SER 1 2.650 -10.851 -10.851 5 1HB SER 1 2HB SER 1 0.745 -8.649 -8.649 6 2HB SER 1 1HB SER 1 2.178 -8.183 -8.183 7 HG SER 1 HG SER 1 1.760 -10.442 -10.442 8 H LYS 2 H LYS 2 3.976 -8.533 -8.533 9 HA LYS 2 HA LYS 2 6.279 -8.462 -8.462 10 1HB LYS 2 2HB LYS 2 5.882 -8.249 -8.249 11 2HB LYS 2 1HB LYS 2 5.969 -6.538 -6.538 12 1HG LYS 2 2HG LYS 2 8.206 -6.676 -6.676 13 2HG LYS 2 1HG LYS 2 8.042 -7.930 -7.930 14 1HD LYS 2 2HD LYS 2 7.860 -9.648 -9.648 15 2HD LYS 2 1HD LYS 2 7.979 -8.406 -8.406 16 1HE LYS 2 2HE LYS 2 10.187 -7.954 -7.954 17 2HE LYS 2 1HE LYS 2 10.120 -9.711 -9.711 18 1HZ LYS 2 3HZ LYS 2 9.648 -7.908 -7.908 19 2HZ LYS 2 2HZ LYS 2 11.243 -8.233 -8.233 20 3HZ LYS 2 1HZ LYS 2 10.224 -9.503 -9.503 21 H VAL 3 H VAL 3 6.563 -6.946 -6.946 22 HA VAL 3 HA VAL 3 5.093 -4.359 -4.359 23 HB VAL 3 HB VAL 3 5.030 -6.433 -6.433 24 1HG1 VAL 3 1HG1 VAL 3 4.311 -3.501 -3.501 25 2HG1 VAL 3 3HG1 VAL 3 3.834 -4.725 -4.725 26 3HG1 VAL 3 2HG1 VAL 3 5.541 -4.353 -4.353 27 1HG2 VAL 3 3HG2 VAL 3 3.332 -5.667 -5.667 28 2HG2 VAL 3 2HG2 VAL 3 2.928 -6.719 -6.719 29 3HG2 VAL 3 1HG2 VAL 3 2.604 -4.989 -4.989 30 H VAL 4 H VAL 4 6.064 -2.610 -2.610 31 HA VAL 4 HA VAL 4 8.676 -3.064 -3.064 32 HB VAL 4 HB VAL 4 7.964 -1.274 -1.274 33 1HG1 VAL 4 2HG1 VAL 4 9.869 -0.763 -0.763 34 2HG1 VAL 4 1HG1 VAL 4 10.483 -0.482 -0.482 35 3HG1 VAL 4 3HG1 VAL 4 9.052 0.381 0.381 36 1HG2 VAL 4 2HG2 VAL 4 9.605 -3.620 -3.620 37 2HG2 VAL 4 1HG2 VAL 4 9.134 -2.878 -2.878 38 3HG2 VAL 4 3HG2 VAL 4 10.565 -2.302 -2.302 39 H TYR 5 H TYR 5 8.660 -2.084 -2.084 40 HA TYR 5 HA TYR 5 6.476 -0.175 -0.175 41 1HB TYR 5 2HB TYR 5 8.458 -1.673 -1.673 42 2HB TYR 5 1HB TYR 5 7.011 -0.833 -0.833 43 HD1 TYR 5 2HD TYR 5 4.817 -1.438 -1.438 44 HD2 TYR 5 1HD TYR 5 8.264 -4.016 -4.016 45 HE1 TYR 5 2HE TYR 5 3.415 -3.415 -3.415 46 HE2 TYR 5 1HE TYR 5 6.853 -5.905 -5.905 47 HH TYR 5 HH TYR 5 3.754 -6.123 -6.123 48 H VAL 6 H VAL 6 6.825 1.894 1.894 49 HA VAL 6 HA VAL 6 9.706 2.782 2.782 50 HB VAL 6 HB VAL 6 7.408 4.568 4.568 51 1HG1 VAL 6 2HG1 VAL 6 10.018 5.103 5.103 52 2HG1 VAL 6 1HG1 VAL 6 10.116 4.801 4.801 53 3HG1 VAL 6 3HG1 VAL 6 9.044 6.057 6.057 54 1HG2 VAL 6 2HG2 VAL 6 7.510 2.485 2.485 55 2HG2 VAL 6 1HG2 VAL 6 7.694 4.019 4.019 56 3HG2 VAL 6 3HG2 VAL 6 9.110 3.025 3.025 57 H SER 7 H SER 7 10.251 3.858 3.858 58 HA SER 7 HA SER 7 8.250 4.090 4.090 59 1HB SER 7 2HB SER 7 10.280 4.983 4.983 60 2HB SER 7 1HB SER 7 10.533 3.400 3.400 61 HG SER 7 HG SER 7 11.350 5.938 5.938 62 H HIS 8 H HIS 8 9.373 6.597 6.597 63 HA HIS 8 HA HIS 8 8.117 8.492 8.492 64 1HB HIS 8 2HB HIS 8 8.178 9.780 9.780 65 2HB HIS 8 1HB HIS 8 6.805 8.895 8.895 66 HD1 HIS 8 1HD HIS 8 6.033 7.023 7.023 67 HD2 HIS 8 2HD HIS 8 9.940 8.023 8.023 68 HE1 HIS 8 1HE HIS 8 6.679 5.518 5.518 69 H ASP 9 H ASP 9 11.035 7.530 7.530 70 HA ASP 9 HA ASP 9 12.317 10.199 10.199 71 1HB ASP 9 2HB ASP 9 14.161 9.132 9.132 72 2HB ASP 9 1HB ASP 9 12.644 8.862 8.862 73 H GLY 10 H GLY 10 11.542 7.629 7.629 74 1HA GLY 10 2HA GLY 10 12.390 7.652 7.652 75 2HA GLY 10 1HA GLY 10 13.990 7.995 7.995 76 H THR 11 H THR 11 13.644 5.982 5.982 77 HA THR 11 HA THR 11 14.899 3.769 3.769 78 HB THR 11 HB THR 11 13.724 4.586 4.586 79 HG1 THR 11 1HG THR 11 15.584 3.839 3.839 80 1HG2 THR 11 1HG2 THR 11 11.997 2.803 2.803 81 2HG2 THR 11 3HG2 THR 11 13.309 1.634 1.634 82 3HG2 THR 11 2HG2 THR 11 12.813 2.583 2.583 83 H ARG 12 H ARG 12 14.210 2.072 2.072 84 HA ARG 12 HA ARG 12 11.265 1.685 1.685 85 1HB ARG 12 2HB ARG 12 13.548 1.884 1.884 86 2HB ARG 12 1HB ARG 12 12.039 1.084 1.084 87 1HG ARG 12 2HG ARG 12 10.999 3.317 3.317 88 2HG ARG 12 1HG ARG 12 12.563 3.967 3.967 89 1HD ARG 12 2HD ARG 12 10.682 2.429 2.429 90 2HD ARG 12 1HD ARG 12 10.875 4.193 4.193 91 HE ARG 12 HE ARG 12 13.351 2.599 2.599 92 1HH1 ARG 12 1HH1 ARG 12 14.234 4.859 4.859 93 2HH1 ARG 12 2HH1 ARG 12 13.644 5.079 5.079 94 1HH2 ARG 12 1HH2 ARG 12 11.121 2.722 2.722 95 2HH2 ARG 12 2HH2 ARG 12 11.882 3.869 3.869 96 H ARG 13 H ARG 13 10.682 -0.497 -0.497 97 HA ARG 13 HA ARG 13 12.704 -2.636 -2.636 98 1HB ARG 13 2HB ARG 13 11.071 -1.926 -1.926 99 2HB ARG 13 1HB ARG 13 9.883 -2.845 -2.845 100 1HG ARG 13 2HG ARG 13 10.726 -4.778 -4.778 101 2HG ARG 13 1HG ARG 13 12.323 -4.353 -4.353 102 1HD ARG 13 2HD ARG 13 12.114 -4.751 -4.751 103 2HD ARG 13 1HD ARG 13 12.938 -3.266 -3.266 104 HE ARG 13 HE ARG 13 10.005 -3.120 -3.120 105 1HH1 ARG 13 1HH2 ARG 13 10.788 -0.533 -0.533 106 2HH1 ARG 13 2HH2 ARG 13 11.401 -0.117 -0.117 107 1HH2 ARG 13 1HH1 ARG 13 11.849 -3.410 -3.410 108 2HH2 ARG 13 2HH1 ARG 13 12.002 -1.746 -1.746 109 H GLU 14 H GLU 14 12.077 -4.686 -4.686 110 HA GLU 14 HA GLU 14 9.874 -4.355 -4.355 111 1HB GLU 14 2HB GLU 14 12.612 -5.602 -5.602 112 2HB GLU 14 1HB GLU 14 11.369 -5.385 -5.385 113 1HG GLU 14 2HG GLU 14 11.493 -2.860 -2.860 114 2HG GLU 14 1HG GLU 14 13.073 -3.311 -3.311 115 H LEU 15 H LEU 15 8.402 -5.997 -5.997 116 HA LEU 15 HA LEU 15 9.345 -8.583 -8.583 117 1HB LEU 15 2HB LEU 15 6.844 -6.941 -6.941 118 2HB LEU 15 1HB LEU 15 6.747 -8.681 -8.681 119 HG LEU 15 HG LEU 15 8.475 -6.742 -6.742 120 1HD1 LEU 15 3HD1 LEU 15 5.820 -7.819 -7.819 121 2HD1 LEU 15 2HD1 LEU 15 6.873 -8.436 -8.436 122 3HD1 LEU 15 1HD1 LEU 15 6.690 -6.697 -6.697 123 1HD2 LEU 15 3HD2 LEU 15 9.532 -8.977 -8.977 124 2HD2 LEU 15 2HD2 LEU 15 9.190 -8.597 -8.597 125 3HD2 LEU 15 1HD2 LEU 15 8.115 -9.696 -9.696 126 H ASP 16 H ASP 16 8.513 -10.499 -10.499 127 HA ASP 16 HA ASP 16 7.402 -10.215 -10.215 128 1HB ASP 16 2HB ASP 16 9.045 -12.258 -12.258 129 2HB ASP 16 1HB ASP 16 8.137 -12.751 -12.751 130 H VAL 17 H VAL 17 5.212 -9.897 -9.897 131 HA VAL 17 HA VAL 17 4.022 -11.972 -11.972 132 HB VAL 17 HB VAL 17 3.196 -9.259 -9.259 133 1HG1 VAL 17 2HG1 VAL 17 1.595 -11.275 -11.275 134 2HG1 VAL 17 1HG1 VAL 17 1.183 -9.561 -9.561 135 3HG1 VAL 17 3HG1 VAL 17 1.161 -10.545 -10.545 136 1HG2 VAL 17 3HG2 VAL 17 4.601 -10.199 -10.199 137 2HG2 VAL 17 2HG2 VAL 17 4.109 -8.546 -8.546 138 3HG2 VAL 17 1HG2 VAL 17 3.034 -9.602 -9.602 139 H ALA 18 H ALA 18 1.887 -12.876 -12.876 140 HA ALA 18 HA ALA 18 1.809 -13.349 -13.349 141 1HB ALA 18 3HB ALA 18 2.363 -15.274 -15.274 142 2HB ALA 18 2HB ALA 18 0.844 -15.043 -15.043 143 3HB ALA 18 1HB ALA 18 0.826 -15.519 -15.519 144 H ASP 19 H ASP 19 -0.859 -14.766 -14.766 145 HA ASP 19 HA ASP 19 -2.541 -12.321 -12.321 146 1HB ASP 19 2HB ASP 19 -3.906 -13.651 -13.651 147 2HB ASP 19 1HB ASP 19 -2.282 -14.243 -14.243 148 H GLY 20 H GLY 20 -3.780 -11.839 -11.839 149 1HA GLY 20 2HA GLY 20 -5.561 -12.575 -12.575 150 2HA GLY 20 1HA GLY 20 -4.655 -14.072 -14.072 151 H VAL 21 H VAL 21 -2.262 -11.894 -11.894 152 HA VAL 21 HA VAL 21 -2.198 -11.692 -11.692 153 HB VAL 21 HB VAL 21 -0.176 -11.158 -11.158 154 1HG1 VAL 21 2HG1 VAL 21 0.108 -11.108 -11.108 155 2HG1 VAL 21 1HG1 VAL 21 1.472 -11.101 -11.101 156 3HG1 VAL 21 3HG1 VAL 21 0.334 -9.752 -9.752 157 1HG2 VAL 21 2HG2 VAL 21 -0.981 -13.532 -13.532 158 2HG2 VAL 21 1HG2 VAL 21 -0.035 -13.427 -13.427 159 3HG2 VAL 21 3HG2 VAL 21 0.755 -13.210 -13.210 160 H SER 22 H SER 22 -1.304 -9.655 -9.655 161 HA SER 22 HA SER 22 -2.284 -7.222 -7.222 162 1HB SER 22 2HB SER 22 -2.195 -6.853 -6.853 163 2HB SER 22 1HB SER 22 -3.615 -6.852 -6.852 164 HG SER 22 HG SER 22 -4.071 -8.630 -8.630 165 H LEU 23 H LEU 23 -0.973 -5.249 -5.249 166 HA LEU 23 HA LEU 23 1.835 -5.730 -5.730 167 1HB LEU 23 2HB LEU 23 0.349 -3.285 -3.285 168 2HB LEU 23 1HB LEU 23 1.982 -3.313 -3.313 169 HG LEU 23 HG LEU 23 -0.599 -3.793 -3.793 170 1HD1 LEU 23 1HD1 LEU 23 0.757 -1.480 -1.480 171 2HD1 LEU 23 3HD1 LEU 23 1.543 -2.014 -2.014 172 3HD1 LEU 23 2HD1 LEU 23 -0.204 -1.767 -1.767 173 1HD2 LEU 23 1HD2 LEU 23 2.136 -4.779 -4.779 174 2HD2 LEU 23 3HD2 LEU 23 0.596 -5.337 -5.337 175 3HD2 LEU 23 2HD2 LEU 23 1.396 -3.932 -3.932 176 H MET 24 H MET 24 -0.371 -5.216 -5.216 177 HA MET 24 HA MET 24 1.813 -5.169 -5.169 178 1HB MET 24 2HB MET 24 -0.576 -4.154 -4.154 179 2HB MET 24 1HB MET 24 -1.034 -5.743 -5.743 180 1HG MET 24 2HG MET 24 1.160 -5.293 -5.293 181 2HG MET 24 1HG MET 24 0.604 -3.637 -3.637 182 1HE MET 24 2HE MET 24 0.142 -7.043 -7.043 183 2HE MET 24 1HE MET 24 -1.145 -7.131 -7.131 184 3HE MET 24 3HE MET 24 -1.541 -7.151 -7.151 185 H GLN 25 H GLN 25 0.831 -7.624 -7.624 186 HA GLN 25 HA GLN 25 0.871 -9.611 -9.611 187 1HB GLN 25 2HB GLN 25 -0.965 -9.711 -9.711 188 2HB GLN 25 1HB GLN 25 0.152 -9.702 -9.702 189 1HG GLN 25 2HG GLN 25 0.784 -11.913 -11.913 190 2HG GLN 25 1HG GLN 25 0.452 -11.849 -11.849 191 1HE2 GLN 25 2HE2 GLN 25 -3.159 -11.835 -11.835 192 2HE2 GLN 25 1HE2 GLN 25 -2.143 -10.480 -10.480 193 H ALA 26 H ALA 26 2.164 -9.677 -9.677 194 HA ALA 26 HA ALA 26 4.303 -11.437 -11.437 195 1HB ALA 26 2HB ALA 26 3.918 -8.971 -8.971 196 2HB ALA 26 1HB ALA 26 5.465 -9.862 -9.862 197 3HB ALA 26 3HB ALA 26 3.937 -10.671 -10.671 198 H ALA 27 H ALA 27 4.438 -7.890 -7.890 199 HA ALA 27 HA ALA 27 7.053 -7.550 -7.550 200 1HB ALA 27 1HB ALA 27 4.415 -6.160 -6.160 201 2HB ALA 27 3HB ALA 27 5.704 -5.533 -5.533 202 3HB ALA 27 2HB ALA 27 5.918 -5.609 -5.609 203 H VAL 28 H VAL 28 4.018 -7.781 -7.781 204 HA VAL 28 HA VAL 28 4.717 -7.764 -7.764 205 HB VAL 28 HB VAL 28 2.733 -8.774 -8.774 206 1HG1 VAL 28 1HG1 VAL 28 3.616 -10.762 -10.762 207 2HG1 VAL 28 3HG1 VAL 28 1.919 -10.659 -10.659 208 3HG1 VAL 28 2HG1 VAL 28 3.137 -11.055 -11.055 209 1HG2 VAL 28 1HG2 VAL 28 2.384 -7.131 -7.131 210 2HG2 VAL 28 3HG2 VAL 28 1.248 -8.476 -8.476 211 3HG2 VAL 28 2HG2 VAL 28 2.632 -8.401 -8.401 212 H SER 29 H SER 29 4.815 -10.731 -10.731 213 HA SER 29 HA SER 29 6.190 -12.406 -12.406 214 1HB SER 29 2HB SER 29 6.974 -12.912 -12.912 215 2HB SER 29 1HB SER 29 5.774 -13.783 -13.783 216 HG SER 29 HG SER 29 4.218 -12.657 -12.657 217 H ASN 30 H ASN 30 7.357 -10.397 -10.397 218 HA ASN 30 HA ASN 30 10.158 -10.874 -10.874 219 1HB ASN 30 2HB ASN 30 8.288 -9.051 -9.051 220 2HB ASN 30 1HB ASN 30 9.905 -8.399 -8.399 221 1HD2 ASN 30 2HD2 ASN 30 9.286 -11.341 -11.341 222 2HD2 ASN 30 1HD2 ASN 30 8.014 -10.696 -10.696 223 H GLY 31 H GLY 31 7.952 -9.369 -9.369 224 1HA GLY 31 2HA GLY 31 8.446 -8.304 -8.304 225 2HA GLY 31 1HA GLY 31 10.126 -8.126 -8.126 226 H ILE 32 H ILE 32 8.801 -7.074 -7.074 227 HA ILE 32 HA ILE 32 9.281 -4.359 -4.359 228 HB ILE 32 HB ILE 32 7.279 -5.997 -5.997 229 1HG1 ILE 32 2HG1 ILE 32 9.980 -4.789 -4.789 230 2HG1 ILE 32 1HG1 ILE 32 9.549 -6.499 -6.499 231 1HG2 ILE 32 3HG2 ILE 32 8.000 -3.080 -3.080 232 2HG2 ILE 32 2HG2 ILE 32 7.045 -4.066 -4.066 233 3HG2 ILE 32 1HG2 ILE 32 6.417 -3.686 -3.686 234 1HD1 ILE 32 2HD1 ILE 32 7.772 -5.655 -5.655 235 2HD1 ILE 32 1HD1 ILE 32 9.055 -4.479 -4.479 236 3HD1 ILE 32 3HD1 ILE 32 9.393 -6.205 -6.205 237 H TYR 33 H TYR 33 6.333 -6.143 -6.143 238 HA TYR 33 HA TYR 33 5.321 -3.626 -3.626 239 1HB TYR 33 2HB TYR 33 3.920 -6.087 -6.087 240 2HB TYR 33 1HB TYR 33 3.109 -4.886 -4.886 241 HD1 TYR 33 1HD TYR 33 3.126 -2.431 -2.431 242 HD2 TYR 33 2HD TYR 33 4.220 -5.782 -5.782 243 HE1 TYR 33 1HE TYR 33 2.759 -1.059 -1.059 244 HE2 TYR 33 2HE TYR 33 3.860 -4.455 -4.455 245 HH TYR 33 HH TYR 33 2.365 -2.301 -2.301 246 H ASP 34 H ASP 34 6.845 -4.311 -4.311 247 HA ASP 34 HA ASP 34 6.555 -6.655 -6.655 248 1HB ASP 34 2HB ASP 34 7.223 -5.205 -5.205 249 2HB ASP 34 1HB ASP 34 8.143 -4.796 -4.796 250 H ILE 35 H ILE 35 4.349 -4.077 -4.077 251 HA ILE 35 HA ILE 35 2.495 -4.624 -4.624 252 HB ILE 35 HB ILE 35 2.803 -2.405 -2.405 253 1HG1 ILE 35 2HG1 ILE 35 0.094 -2.859 -2.859 254 2HG1 ILE 35 1HG1 ILE 35 0.368 -3.682 -3.682 255 1HG2 ILE 35 2HG2 ILE 35 2.965 -3.820 -3.820 256 2HG2 ILE 35 1HG2 ILE 35 1.331 -3.166 -3.166 257 3HG2 ILE 35 3HG2 ILE 35 2.706 -2.078 -2.078 258 1HD1 ILE 35 2HD1 ILE 35 1.355 -1.513 -1.513 259 2HD1 ILE 35 1HD1 ILE 35 0.772 -0.743 -0.743 260 3HD1 ILE 35 3HD1 ILE 35 -0.374 -1.457 -1.457 261 H VAL 36 H VAL 36 2.007 -6.927 -6.927 262 HA VAL 36 HA VAL 36 0.470 -7.521 -7.521 263 HB VAL 36 HB VAL 36 1.859 -9.495 -9.495 264 1HG1 VAL 36 2HG1 VAL 36 0.597 -9.520 -9.520 265 2HG1 VAL 36 1HG1 VAL 36 1.988 -10.569 -10.569 266 3HG1 VAL 36 3HG1 VAL 36 0.543 -10.739 -10.739 267 1HG2 VAL 36 3HG2 VAL 36 2.971 -7.647 -7.647 268 2HG2 VAL 36 2HG2 VAL 36 3.734 -8.300 -8.300 269 3HG2 VAL 36 1HG2 VAL 36 3.573 -9.306 -9.306 270 H GLY 37 H GLY 37 0.441 -7.620 -7.620 271 1HA GLY 37 2HA GLY 37 -2.015 -9.249 -9.249 272 2HA GLY 37 1HA GLY 37 -1.164 -8.605 -8.605 273 H ASP 38 H ASP 38 -2.060 -6.605 -6.605 274 HA ASP 38 HA ASP 38 -4.052 -5.228 -5.228 275 1HB ASP 38 2HB ASP 38 -1.686 -4.255 -4.255 276 2HB ASP 38 1HB ASP 38 -2.616 -3.822 -3.822 277 H CYS 39 H CYS 39 -3.204 -5.892 -5.892 278 HA CYS 39 HA CYS 39 -6.104 -5.532 -5.532 279 1HB CYS 39 2HB CYS 39 -4.977 -5.483 -5.483 280 2HB CYS 39 1HB CYS 39 -5.000 -4.033 -4.033 281 H GLY 40 H GLY 40 -3.290 -7.479 -7.479 282 1HA GLY 40 2HA GLY 40 -3.279 -9.654 -9.654 283 2HA GLY 40 1HA GLY 40 -4.310 -10.025 -10.025 284 H GLY 41 H GLY 41 -4.911 -7.956 -7.956 285 1HA GLY 41 2HA GLY 41 -6.487 -8.240 -8.240 286 2HA GLY 41 1HA GLY 41 -6.865 -9.840 -9.840 287 H SER 42 H SER 42 -6.868 -6.972 -6.972 288 HA SER 42 HA SER 42 -9.840 -7.241 -7.241 289 1HB SER 42 2HB SER 42 -7.713 -6.429 -6.429 290 2HB SER 42 1HB SER 42 -9.441 -6.421 -6.421 291 HG SER 42 HG SER 42 -8.489 -8.370 -8.370 292 H ALA 43 H ALA 43 -7.134 -4.942 -4.942 293 HA ALA 43 HA ALA 43 -7.095 -2.710 -2.710 294 1HB ALA 43 2HB ALA 43 -8.902 -3.844 -3.844 295 2HB ALA 43 1HB ALA 43 -10.035 -2.925 -2.925 296 3HB ALA 43 3HB ALA 43 -8.800 -2.084 -2.084 297 H SER 44 H SER 44 -7.143 -2.821 -2.821 298 HA SER 44 HA SER 44 -9.168 -0.759 -0.759 299 1HB SER 44 2HB SER 44 -8.231 -3.242 -3.242 300 2HB SER 44 1HB SER 44 -9.140 -1.952 -1.952 301 HG SER 44 HG SER 44 -10.831 -2.333 -2.333 302 H CYS 45 H CYS 45 -6.023 -1.123 -1.123 303 HA CYS 45 HA CYS 45 -5.100 0.318 0.318 304 1HB CYS 45 2HB CYS 45 -2.881 -0.609 -0.609 305 2HB CYS 45 1HB CYS 45 -3.410 -1.132 -1.132 306 H ALA 46 H ALA 46 -4.677 2.424 2.424 307 HA ALA 46 HA ALA 46 -4.358 3.706 3.706 308 1HB ALA 46 3HB ALA 46 -5.442 4.604 4.604 309 2HB ALA 46 2HB ALA 46 -3.796 4.852 4.852 310 3HB ALA 46 1HB ALA 46 -4.363 5.709 5.709 311 H THR 47 H THR 47 -2.305 1.872 1.872 312 HA THR 47 HA THR 47 0.128 3.491 3.491 313 HB THR 47 HB THR 47 1.034 1.136 1.136 314 HG1 THR 47 1HG THR 47 -0.994 0.315 0.315 315 1HG2 THR 47 3HG2 THR 47 0.814 3.192 3.192 316 2HG2 THR 47 2HG2 THR 47 -0.861 2.754 2.754 317 3HG2 THR 47 1HG2 THR 47 0.450 1.723 1.723 318 H CYS 48 H CYS 48 -1.534 1.080 1.080 319 HA CYS 48 HA CYS 48 0.928 0.609 0.609 320 1HB CYS 48 2HB CYS 48 -1.536 -0.761 -0.761 321 2HB CYS 48 1HB CYS 48 0.038 -1.403 -1.403 322 H HIS 49 H HIS 49 -0.994 3.107 3.107 323 HA HIS 49 HA HIS 49 -2.388 3.412 3.412 324 1HB HIS 49 2HB HIS 49 -1.987 5.087 5.087 325 2HB HIS 49 1HB HIS 49 -0.402 5.394 5.394 326 HD1 HIS 49 1HD HIS 49 -2.544 7.650 7.650 327 HD2 HIS 49 2HD HIS 49 -1.963 5.199 5.199 328 HE1 HIS 49 1HE HIS 49 -3.482 8.895 8.895 329 H VAL 50 H VAL 50 -1.723 3.406 3.406 330 HA VAL 50 HA VAL 50 1.200 3.654 3.654 331 HB VAL 50 HB VAL 50 0.931 1.744 1.744 332 1HG1 VAL 50 2HG1 VAL 50 1.415 1.750 1.750 333 2HG1 VAL 50 1HG1 VAL 50 0.157 0.523 0.523 334 3HG1 VAL 50 3HG1 VAL 50 1.656 0.371 0.371 335 1HG2 VAL 50 2HG2 VAL 50 -1.636 2.078 2.078 336 2HG2 VAL 50 1HG2 VAL 50 -1.018 0.427 0.427 337 3HG2 VAL 50 3HG2 VAL 50 -1.600 1.113 1.113 338 H TYR 51 H TYR 51 1.663 4.256 4.256 339 HA TYR 51 HA TYR 51 -0.592 5.585 5.585 340 1HB TYR 51 2HB TYR 51 2.190 6.310 6.310 341 2HB TYR 51 1HB TYR 51 1.587 6.961 6.961 342 HD1 TYR 51 2HD TYR 51 -1.156 6.382 6.382 343 HD2 TYR 51 1HD TYR 51 2.074 9.146 9.146 344 HE1 TYR 51 2HE TYR 51 -2.427 8.165 8.165 345 HE2 TYR 51 1HE TYR 51 0.775 10.944 10.944 346 HH TYR 51 HH TYR 51 -2.452 10.282 10.282 347 H VAL 52 H VAL 52 -0.993 4.489 4.489 348 HA VAL 52 HA VAL 52 1.175 2.894 2.894 349 HB VAL 52 HB VAL 52 -1.764 3.160 3.160 350 1HG1 VAL 52 3HG1 VAL 52 -0.190 2.174 2.174 351 2HG1 VAL 52 2HG1 VAL 52 0.180 0.895 0.895 352 3HG1 VAL 52 1HG1 VAL 52 -1.464 1.076 1.076 353 1HG2 VAL 52 3HG2 VAL 52 -0.604 2.079 2.079 354 2HG2 VAL 52 2HG2 VAL 52 -2.263 1.870 1.870 355 3HG2 VAL 52 1HG2 VAL 52 -1.024 0.699 0.699 356 H ASN 53 H ASN 53 1.366 3.159 3.159 357 HA ASN 53 HA ASN 53 1.510 6.042 6.042 358 1HB ASN 53 2HB ASN 53 2.567 5.111 5.111 359 2HB ASN 53 1HB ASN 53 3.292 4.403 4.403 360 1HD2 ASN 53 2HD2 ASN 53 2.078 1.178 1.178 361 2HD2 ASN 53 1HD2 ASN 53 2.943 2.165 2.165 362 H GLU 54 H GLU 54 0.029 7.075 7.075 363 HA GLU 54 HA GLU 54 -2.576 6.331 6.331 364 1HB GLU 54 2HB GLU 54 -2.578 7.987 7.987 365 2HB GLU 54 1HB GLU 54 -1.358 8.482 8.482 366 1HG GLU 54 2HG GLU 54 0.245 7.042 7.042 367 2HG GLU 54 1HG GLU 54 -0.992 7.357 7.357 368 H ALA 55 H ALA 55 0.169 4.912 4.912 369 HA ALA 55 HA ALA 55 -1.339 3.936 3.936 370 1HB ALA 55 2HB ALA 55 1.363 3.883 3.883 371 2HB ALA 55 1HB ALA 55 0.930 2.357 2.357 372 3HB ALA 55 3HB ALA 55 0.845 3.865 3.865 373 H PHE 56 H PHE 56 -0.052 2.270 2.270 374 HA PHE 56 HA PHE 56 -1.516 -0.181 -0.181 375 1HB PHE 56 2HB PHE 56 0.319 0.747 0.747 376 2HB PHE 56 1HB PHE 56 -0.429 -0.846 -0.846 377 HD1 PHE 56 1HD PHE 56 1.795 1.383 1.383 378 HD2 PHE 56 2HD PHE 56 0.386 -2.678 -2.678 379 HE1 PHE 56 1HE PHE 56 3.496 0.594 0.594 380 HE2 PHE 56 2HE PHE 56 2.065 -3.403 -3.403 381 HZ PHE 56 HZ PHE 56 3.638 -1.801 -1.801 382 H THR 57 H THR 57 -2.398 2.698 2.698 383 HA THR 57 HA THR 57 -4.092 1.532 1.532 384 HB THR 57 HB THR 57 -4.646 3.804 3.804 385 HG1 THR 57 1HG THR 57 -3.599 4.759 4.759 386 1HG2 THR 57 1HG2 THR 57 -1.915 3.139 3.139 387 2HG2 THR 57 3HG2 THR 57 -2.215 4.840 4.840 388 3HG2 THR 57 2HG2 THR 57 -2.533 4.211 4.211 389 H ASP 58 H ASP 58 -4.754 3.322 3.322 390 HA ASP 58 HA ASP 58 -7.571 2.905 2.905 391 1HB ASP 58 2HB ASP 58 -7.353 3.739 3.739 392 2HB ASP 58 1HB ASP 58 -6.048 4.491 4.491 393 H LYS 59 H LYS 59 -5.034 0.678 0.678 394 HA LYS 59 HA LYS 59 -6.326 -1.149 -1.149 395 1HB LYS 59 2HB LYS 59 -4.256 -1.803 -1.803 396 2HB LYS 59 1HB LYS 59 -4.401 -2.468 -2.468 397 1HG LYS 59 2HG LYS 59 -4.044 0.091 0.091 398 2HG LYS 59 1HG LYS 59 -3.229 0.135 0.135 399 1HD LYS 59 2HD LYS 59 -1.500 -0.463 -0.463 400 2HD LYS 59 1HD LYS 59 -2.019 -2.018 -2.018 401 1HE LYS 59 2HE LYS 59 -3.524 -2.302 -2.302 402 2HE LYS 59 1HE LYS 59 -2.830 -0.817 -0.817 403 1HZ LYS 59 2HZ LYS 59 -0.602 -1.849 -1.849 404 2HZ LYS 59 1HZ LYS 59 -1.395 -3.311 -3.311 405 3HZ LYS 59 3HZ LYS 59 -1.534 -2.619 -2.619 406 H VAL 60 H VAL 60 -5.438 -1.207 -1.207 407 HA VAL 60 HA VAL 60 -6.913 -3.557 -3.557 408 HB VAL 60 HB VAL 60 -4.702 -2.192 -2.192 409 1HG1 VAL 60 3HG1 VAL 60 -6.738 -1.332 -1.332 410 2HG1 VAL 60 2HG1 VAL 60 -4.991 -1.134 -1.134 411 3HG1 VAL 60 1HG1 VAL 60 -5.865 -0.302 -0.302 412 1HG2 VAL 60 3HG2 VAL 60 -5.914 -4.466 -4.466 413 2HG2 VAL 60 2HG2 VAL 60 -4.350 -3.888 -3.888 414 3HG2 VAL 60 1HG2 VAL 60 -5.800 -3.565 -3.565 415 HA PRO 61 HA PRO 61 -10.802 -1.811 -1.811 416 1HB PRO 61 2HB PRO 61 -11.383 -3.238 -3.238 417 2HB PRO 61 1HB PRO 61 -11.498 -3.906 -3.906 418 1HG PRO 61 2HG PRO 61 -9.291 -4.172 -4.172 419 2HG PRO 61 1HG PRO 61 -10.014 -5.411 -5.411 420 1HD PRO 61 2HD PRO 61 -7.668 -4.269 -4.269 421 2HD PRO 61 1HD PRO 61 -8.852 -4.699 -4.699 422 H ALA 62 H ALA 62 -11.945 -0.739 -0.739 423 HA ALA 62 HA ALA 62 -10.221 1.194 1.194 424 1HB ALA 62 1HB ALA 62 -12.760 0.996 0.996 425 2HB ALA 62 3HB ALA 62 -13.075 1.141 1.141 426 3HB ALA 62 2HB ALA 62 -12.138 2.385 2.385 427 H ALA 63 H ALA 63 -11.386 1.735 1.735 428 HA ALA 63 HA ALA 63 -10.914 -0.733 -0.733 429 1HB ALA 63 1HB ALA 63 -10.511 2.228 2.228 430 2HB ALA 63 3HB ALA 63 -10.443 1.068 1.068 431 3HB ALA 63 2HB ALA 63 -9.292 0.949 0.949 432 H ASN 64 H ASN 64 -12.237 -1.014 -1.014 433 HA ASN 64 HA ASN 64 -15.047 -0.310 -0.310 434 1HB ASN 64 2HB ASN 64 -15.193 -1.593 -1.593 435 2HB ASN 64 1HB ASN 64 -14.675 -2.479 -2.479 436 1HD2 ASN 64 2HD2 ASN 64 -11.398 -1.375 -1.375 437 2HD2 ASN 64 1HD2 ASN 64 -12.417 -0.201 -0.201 438 H GLU 65 H GLU 65 -15.929 0.014 0.014 439 HA GLU 65 HA GLU 65 -15.411 2.861 2.861 440 1HB GLU 65 2HB GLU 65 -17.288 2.675 2.675 441 2HB GLU 65 1HB GLU 65 -17.578 1.449 1.449 442 1HG GLU 65 2HG GLU 65 -16.667 -0.287 -0.287 443 2HG GLU 65 1HG GLU 65 -16.331 0.928 0.928 444 H ARG 66 H ARG 66 -14.204 -0.133 -0.133 445 HA ARG 66 HA ARG 66 -13.410 1.067 1.067 446 1HB ARG 66 2HB ARG 66 -11.581 -1.017 -1.017 447 2HB ARG 66 1HB ARG 66 -12.946 -1.100 -1.100 448 1HG ARG 66 2HG ARG 66 -14.396 -1.677 -1.677 449 2HG ARG 66 1HG ARG 66 -12.935 -1.708 -1.708 450 1HD ARG 66 2HD ARG 66 -11.980 -3.435 -3.435 451 2HD ARG 66 1HD ARG 66 -13.564 -3.505 -3.505 452 HE ARG 66 HE ARG 66 -14.289 -3.821 -3.821 453 1HH1 ARG 66 1HH2 ARG 66 -11.243 -4.659 -4.659 454 2HH1 ARG 66 2HH2 ARG 66 -11.432 -6.381 -6.381 455 1HH2 ARG 66 1HH1 ARG 66 -14.774 -6.293 -6.293 456 2HH2 ARG 66 2HH1 ARG 66 -13.431 -7.306 -7.306 457 H GLU 67 H GLU 67 -11.785 0.497 0.497 458 HA GLU 67 HA GLU 67 -9.190 1.436 1.436 459 1HB GLU 67 2HB GLU 67 -9.549 0.295 0.295 460 2HB GLU 67 1HB GLU 67 -10.954 1.268 1.268 461 1HG GLU 67 2HG GLU 67 -8.376 2.709 2.709 462 2HG GLU 67 1HG GLU 67 -8.535 1.666 1.666 463 H ILE 68 H ILE 68 -12.104 3.199 3.199 464 HA ILE 68 HA ILE 68 -10.847 5.717 5.717 465 HB ILE 68 HB ILE 68 -13.472 4.498 4.498 466 1HG1 ILE 68 2HG1 ILE 68 -14.033 5.929 5.929 467 2HG1 ILE 68 1HG1 ILE 68 -12.708 7.031 7.031 468 1HG2 ILE 68 2HG2 ILE 68 -13.480 6.162 6.162 469 2HG2 ILE 68 1HG2 ILE 68 -13.370 7.430 7.430 470 3HG2 ILE 68 3HG2 ILE 68 -14.762 6.346 6.346 471 1HD1 ILE 68 3HD1 ILE 68 -11.605 4.410 4.410 472 2HD1 ILE 68 2HD1 ILE 68 -12.657 4.721 4.721 473 3HD1 ILE 68 1HD1 ILE 68 -11.336 5.829 5.829 474 H GLY 69 H GLY 69 -11.323 3.931 3.931 475 1HA GLY 69 2HA GLY 69 -11.177 6.320 6.320 476 2HA GLY 69 1HA GLY 69 -11.355 4.664 4.664 477 H MET 70 H MET 70 -9.374 3.272 3.272 478 HA MET 70 HA MET 70 -7.125 4.397 4.397 479 1HB MET 70 2HB MET 70 -6.067 2.382 2.382 480 2HB MET 70 1HB MET 70 -6.551 2.203 2.203 481 1HG MET 70 2HG MET 70 -7.618 0.522 0.522 482 2HG MET 70 1HG MET 70 -8.842 1.616 1.616 483 1HE MET 70 3HE MET 70 -7.647 -0.339 -0.339 484 2HE MET 70 2HE MET 70 -9.044 -0.244 -0.244 485 3HE MET 70 1HE MET 70 -7.469 0.357 0.357 486 H LEU 71 H LEU 71 -7.835 4.205 4.205 487 HA LEU 71 HA LEU 71 -5.271 5.058 5.058 488 1HB LEU 71 2HB LEU 71 -7.283 3.924 3.924 489 2HB LEU 71 1HB LEU 71 -8.015 5.535 5.535 490 HG LEU 71 HG LEU 71 -5.678 4.461 4.461 491 1HD1 LEU 71 1HD1 LEU 71 -8.302 5.595 5.595 492 2HD1 LEU 71 3HD1 LEU 71 -7.069 6.507 6.507 493 3HD1 LEU 71 2HD1 LEU 71 -7.228 4.768 4.768 494 1HD2 LEU 71 1HD2 LEU 71 -6.053 7.377 7.377 495 2HD2 LEU 71 3HD2 LEU 71 -4.673 6.359 6.359 496 3HD2 LEU 71 2HD2 LEU 71 -4.970 6.800 6.800 497 H GLU 72 H GLU 72 -8.101 6.707 6.707 498 HA GLU 72 HA GLU 72 -7.049 9.389 9.389 499 1HB GLU 72 2HB GLU 72 -9.326 9.525 9.525 500 2HB GLU 72 1HB GLU 72 -9.567 8.106 8.106 501 1HG GLU 72 2HG GLU 72 -9.709 9.329 9.329 502 2HG GLU 72 1HG GLU 72 -8.600 10.582 10.582 503 H CYS 73 H CYS 73 -7.316 7.189 7.189 504 HA CYS 73 HA CYS 73 -6.976 8.889 8.889 505 1HB CYS 73 2HB CYS 73 -6.455 6.124 6.124 506 2HB CYS 73 1HB CYS 73 -5.241 6.708 6.708 507 HG CYS 73 HG CYS 73 -8.309 6.645 6.645 508 H VAL 74 H VAL 74 -4.419 7.541 7.541 509 HA VAL 74 HA VAL 74 -2.419 9.365 9.365 510 HB VAL 74 HB VAL 74 -0.929 8.105 8.105 511 1HG1 VAL 74 1HG1 VAL 74 -1.490 7.398 7.398 512 2HG1 VAL 74 3HG1 VAL 74 -2.584 6.223 6.223 513 3HG1 VAL 74 2HG1 VAL 74 -0.858 6.149 6.149 514 1HG2 VAL 74 1HG2 VAL 74 -3.324 7.548 7.548 515 2HG2 VAL 74 3HG2 VAL 74 -1.803 6.711 6.711 516 3HG2 VAL 74 2HG2 VAL 74 -2.971 6.037 6.037 517 H THR 75 H THR 75 -3.706 11.282 11.282 518 HA THR 75 HA THR 75 -4.295 11.911 11.911 519 HB THR 75 HB THR 75 -4.664 13.271 13.271 520 HG1 THR 75 1HG THR 75 -3.475 14.384 14.384 521 1HG2 THR 75 3HG2 THR 75 -2.064 12.921 12.921 522 2HG2 THR 75 2HG2 THR 75 -1.941 14.460 14.460 523 3HG2 THR 75 1HG2 THR 75 -2.942 14.330 14.330 524 H ALA 76 H ALA 76 -2.650 10.870 10.870 525 HA ALA 76 HA ALA 76 0.029 12.185 12.185 526 1HB ALA 76 2HB ALA 76 -0.106 9.717 9.717 527 2HB ALA 76 1HB ALA 76 -0.984 9.681 9.681 528 3HB ALA 76 3HB ALA 76 0.692 10.224 10.224 529 H GLU 77 H GLU 77 -2.214 13.643 13.643 530 HA GLU 77 HA GLU 77 -2.759 14.952 14.952 531 1HB GLU 77 2HB GLU 77 -0.921 15.543 15.543 532 2HB GLU 77 1HB GLU 77 -0.061 14.563 14.563 533 1HG GLU 77 2HG GLU 77 -0.806 12.651 12.651 534 2HG GLU 77 1HG GLU 77 -0.587 14.049 14.049 535 H LEU 78 H LEU 78 -4.035 12.594 12.594 536 HA LEU 78 HA LEU 78 -4.491 10.514 10.514 537 1HB LEU 78 2HB LEU 78 -6.062 12.433 12.433 538 2HB LEU 78 1HB LEU 78 -6.796 12.236 12.236 539 HG LEU 78 HG LEU 78 -6.761 9.762 9.762 540 1HD1 LEU 78 3HD1 LEU 78 -5.215 10.582 10.582 541 2HD1 LEU 78 2HD1 LEU 78 -6.545 9.507 9.507 542 3HD1 LEU 78 1HD1 LEU 78 -5.345 8.993 8.993 543 1HD2 LEU 78 1HD2 LEU 78 -8.281 11.660 11.660 544 2HD2 LEU 78 3HD2 LEU 78 -8.866 10.483 10.483 545 3HD2 LEU 78 2HD2 LEU 78 -8.382 9.953 9.953 546 H LYS 79 H LYS 79 -4.599 9.864 9.864 547 HA LYS 79 HA LYS 79 -4.652 11.940 11.940 548 1HB LYS 79 2HB LYS 79 -3.562 9.147 9.147 549 2HB LYS 79 1HB LYS 79 -3.078 10.611 10.611 550 1HG LYS 79 2HG LYS 79 -2.653 10.337 10.337 551 2HG LYS 79 1HG LYS 79 -1.485 9.695 9.695 552 1HD LYS 79 2HD LYS 79 -2.482 12.453 12.453 553 2HD LYS 79 1HD LYS 79 -1.373 12.192 12.192 554 1HE LYS 79 2HE LYS 79 -0.704 12.569 12.569 555 2HE LYS 79 1HE LYS 79 0.389 12.083 12.083 556 1HZ LYS 79 3HZ LYS 79 -1.310 10.133 10.133 557 2HZ LYS 79 2HZ LYS 79 0.240 10.548 10.548 558 3HZ LYS 79 1HZ LYS 79 0.039 9.825 9.825 559 HA PRO 80 HA PRO 80 -8.128 9.827 9.827 560 1HB PRO 80 2HB PRO 80 -7.451 9.492 9.492 561 2HB PRO 80 1HB PRO 80 -7.929 11.063 11.063 562 1HG PRO 80 2HG PRO 80 -5.214 9.993 9.993 563 2HG PRO 80 1HG PRO 80 -5.855 11.628 11.628 564 1HD PRO 80 2HD PRO 80 -4.251 10.947 10.947 565 2HD PRO 80 1HD PRO 80 -5.490 12.214 12.214 566 H ASN 81 H ASN 81 -4.938 8.519 8.519 567 HA ASN 81 HA ASN 81 -6.038 5.781 5.781 568 1HB ASN 81 2HB ASN 81 -3.660 5.343 5.343 569 2HB ASN 81 1HB ASN 81 -4.453 6.585 6.585 570 1HD2 ASN 81 2HD2 ASN 81 -1.093 7.853 7.853 571 2HD2 ASN 81 1HD2 ASN 81 -1.604 6.494 6.494 572 H SER 82 H SER 82 -4.713 7.727 7.727 573 HA SER 82 HA SER 82 -3.007 6.065 6.065 574 1HB SER 82 2HB SER 82 -5.392 7.631 7.631 575 2HB SER 82 1HB SER 82 -3.972 7.179 7.179 576 HG SER 82 HG SER 82 -2.938 8.283 8.283 577 H ARG 83 H ARG 83 -3.392 4.536 4.536 578 HA ARG 83 HA ARG 83 -5.961 3.372 3.372 579 1HB ARG 83 2HB ARG 83 -4.684 2.620 2.620 580 2HB ARG 83 1HB ARG 83 -4.616 1.233 1.233 581 1HG ARG 83 2HG ARG 83 -6.787 0.819 0.819 582 2HG ARG 83 1HG ARG 83 -7.200 2.402 2.402 583 1HD ARG 83 2HD ARG 83 -7.982 2.782 2.782 584 2HD ARG 83 1HD ARG 83 -6.272 3.100 3.100 585 HE ARG 83 HE ARG 83 -6.584 0.310 0.310 586 1HH1 ARG 83 1HH2 ARG 83 -8.672 2.645 2.645 587 2HH1 ARG 83 2HH2 ARG 83 -8.571 2.080 2.080 588 1HH2 ARG 83 1HH1 ARG 83 -6.074 -0.228 -0.228 589 2HH2 ARG 83 2HH1 ARG 83 -7.100 0.454 0.454 590 H LEU 84 H LEU 84 -5.692 1.454 1.454 591 HA LEU 84 HA LEU 84 -3.266 1.646 1.646 592 1HB LEU 84 2HB LEU 84 -5.987 0.802 0.802 593 2HB LEU 84 1HB LEU 84 -4.981 -0.612 -0.612 594 HG LEU 84 HG LEU 84 -4.929 2.005 2.005 595 1HD1 LEU 84 3HD1 LEU 84 -6.045 -0.613 -0.613 596 2HD1 LEU 84 2HD1 LEU 84 -4.810 -0.368 -0.368 597 3HD1 LEU 84 1HD1 LEU 84 -6.157 0.772 0.772 598 1HD2 LEU 84 2HD2 LEU 84 -2.667 0.557 0.557 599 2HD2 LEU 84 1HD2 LEU 84 -2.804 1.602 1.602 600 3HD2 LEU 84 3HD2 LEU 84 -3.111 -0.132 -0.132 601 H SER 85 H SER 85 -1.563 0.164 0.164 602 HA SER 85 HA SER 85 -0.690 -1.391 -1.391 603 1HB SER 85 2HB SER 85 -0.673 -2.249 -2.249 604 2HB SER 85 1HB SER 85 0.489 -2.705 -2.705 605 HG SER 85 HG SER 85 1.255 -0.671 -0.671 606 H CYS 86 H CYS 86 -3.168 -2.100 -2.100 607 HA CYS 86 HA CYS 86 -3.664 -4.856 -4.856 608 1HB CYS 86 2HB CYS 86 -5.564 -4.440 -4.440 609 2HB CYS 86 1HB CYS 86 -3.896 -4.809 -4.809 610 H GLN 87 H GLN 87 -4.319 -2.748 -2.748 611 HA GLN 87 HA GLN 87 -7.249 -3.218 -3.218 612 1HB GLN 87 2HB GLN 87 -5.644 -0.741 -0.741 613 2HB GLN 87 1HB GLN 87 -7.073 -0.887 -0.887 614 1HG GLN 87 2HG GLN 87 -6.945 -0.985 -0.985 615 2HG GLN 87 1HG GLN 87 -7.808 0.176 0.176 616 1HE2 GLN 87 2HE2 GLN 87 -9.478 -3.469 -3.469 617 2HE2 GLN 87 1HE2 GLN 87 -7.868 -3.146 -3.146 618 H ILE 88 H ILE 88 -4.410 -2.632 -2.632 619 HA ILE 88 HA ILE 88 -5.989 -3.405 -3.405 620 HB ILE 88 HB ILE 88 -3.053 -2.921 -2.921 621 1HG1 ILE 88 2HG1 ILE 88 -5.162 -0.878 -0.878 622 2HG1 ILE 88 1HG1 ILE 88 -3.595 -1.142 -1.142 623 1HG2 ILE 88 1HG2 ILE 88 -4.425 -3.411 -3.411 624 2HG2 ILE 88 3HG2 ILE 88 -5.365 -1.954 -1.954 625 3HG2 ILE 88 2HG2 ILE 88 -3.651 -1.830 -1.830 626 1HD1 ILE 88 3HD1 ILE 88 -3.960 -0.136 -0.136 627 2HD1 ILE 88 2HD1 ILE 88 -3.657 0.903 0.903 628 3HD1 ILE 88 1HD1 ILE 88 -2.438 -0.266 -0.266 629 H ILE 89 H ILE 89 -5.474 -5.130 -5.130 630 HA ILE 89 HA ILE 89 -3.931 -7.348 -7.348 631 HB ILE 89 HB ILE 89 -6.336 -7.179 -7.179 632 1HG1 ILE 89 2HG1 ILE 89 -6.928 -7.085 -7.085 633 2HG1 ILE 89 1HG1 ILE 89 -7.232 -8.747 -8.747 634 1HG2 ILE 89 1HG2 ILE 89 -4.734 -8.890 -8.890 635 2HG2 ILE 89 3HG2 ILE 89 -4.792 -9.681 -9.681 636 3HG2 ILE 89 2HG2 ILE 89 -6.244 -9.594 -9.594 637 1HD1 ILE 89 1HD1 ILE 89 -4.864 -9.273 -9.273 638 2HD1 ILE 89 3HD1 ILE 89 -4.891 -7.686 -7.686 639 3HD1 ILE 89 2HD1 ILE 89 -6.059 -8.918 -8.918 640 H MET 90 H MET 90 -2.777 -8.754 -8.754 641 HA MET 90 HA MET 90 -1.772 -7.067 -7.067 642 1HB MET 90 2HB MET 90 -0.447 -8.207 -8.207 643 2HB MET 90 1HB MET 90 -0.306 -9.483 -9.483 644 1HG MET 90 2HG MET 90 1.586 -7.898 -7.898 645 2HG MET 90 1HG MET 90 0.619 -7.880 -7.880 646 1HE MET 90 2HE MET 90 0.909 -6.064 -6.064 647 2HE MET 90 1HE MET 90 -0.798 -5.677 -5.677 648 3HE MET 90 3HE MET 90 0.426 -4.415 -4.415 649 H THR 91 H THR 91 -2.862 -7.660 -7.660 650 HA THR 91 HA THR 91 -3.665 -10.471 -10.471 651 HB THR 91 HB THR 91 -4.331 -9.150 -9.150 652 HG1 THR 91 1HG THR 91 -4.940 -6.988 -6.988 653 1HG2 THR 91 2HG2 THR 91 -5.706 -8.877 -8.877 654 2HG2 THR 91 1HG2 THR 91 -6.470 -8.574 -8.574 655 3HG2 THR 91 3HG2 THR 91 -5.918 -10.198 -10.198 656 HA PRO 92 HA PRO 92 -0.185 -11.496 -11.496 657 1HB PRO 92 2HB PRO 92 -1.309 -13.136 -13.136 658 2HB PRO 92 1HB PRO 92 -1.059 -13.622 -13.622 659 1HG PRO 92 2HG PRO 92 -3.542 -12.715 -12.715 660 2HG PRO 92 1HG PRO 92 -3.322 -13.948 -13.948 661 1HD PRO 92 2HD PRO 92 -4.269 -11.427 -11.427 662 2HD PRO 92 1HD PRO 92 -3.435 -12.429 -12.429 663 H GLU 93 H GLU 93 -2.610 -9.499 -9.499 664 HA GLU 93 HA GLU 93 -1.303 -9.148 -9.148 665 1HB GLU 93 2HB GLU 93 -3.507 -7.890 -7.890 666 2HB GLU 93 1HB GLU 93 -3.634 -9.634 -9.634 667 1HG GLU 93 2HG GLU 93 -4.770 -9.423 -9.423 668 2HG GLU 93 1HG GLU 93 -3.769 -8.077 -8.077 669 H LEU 94 H LEU 94 -2.118 -7.583 -7.583 670 HA LEU 94 HA LEU 94 -1.170 -4.935 -4.935 671 1HB LEU 94 2HB LEU 94 -2.246 -5.730 -5.730 672 2HB LEU 94 1HB LEU 94 -2.209 -4.123 -4.123 673 HG LEU 94 HG LEU 94 -3.926 -6.480 -6.480 674 1HD1 LEU 94 3HD1 LEU 94 -4.347 -3.656 -3.656 675 2HD1 LEU 94 2HD1 LEU 94 -5.623 -4.512 -4.512 676 3HD1 LEU 94 1HD1 LEU 94 -5.012 -5.147 -5.147 677 1HD2 LEU 94 2HD2 LEU 94 -2.788 -5.423 -5.423 678 2HD2 LEU 94 1HD2 LEU 94 -4.553 -5.332 -5.332 679 3HD2 LEU 94 3HD2 LEU 94 -3.600 -3.915 -3.915 680 H ASP 95 H ASP 95 0.956 -6.443 -6.443 681 HA ASP 95 HA ASP 95 2.263 -6.413 -6.413 682 1HB ASP 95 2HB ASP 95 3.947 -7.806 -7.806 683 2HB ASP 95 1HB ASP 95 2.339 -8.496 -8.496 684 H GLY 96 H GLY 96 4.154 -5.325 -5.325 685 1HA GLY 96 2HA GLY 96 6.112 -4.005 -4.005 686 2HA GLY 96 1HA GLY 96 5.207 -3.525 -3.525 687 H ILE 97 H ILE 97 3.525 -3.714 -3.714 688 HA ILE 97 HA ILE 97 2.732 -0.965 -0.965 689 HB ILE 97 HB ILE 97 1.207 -2.686 -2.686 690 1HG1 ILE 97 2HG1 ILE 97 1.135 -0.321 -0.321 691 2HG1 ILE 97 1HG1 ILE 97 0.203 -1.589 -1.589 692 1HG2 ILE 97 1HG2 ILE 97 3.437 -3.318 -3.318 693 2HG2 ILE 97 3HG2 ILE 97 1.818 -3.499 -3.499 694 3HG2 ILE 97 2HG2 ILE 97 2.275 -4.388 -4.388 695 1HD1 ILE 97 3HD1 ILE 97 2.478 -1.890 -1.890 696 2HD1 ILE 97 2HD1 ILE 97 2.688 -0.206 -0.206 697 3HD1 ILE 97 1HD1 ILE 97 1.273 -0.693 -0.693 698 H VAL 98 H VAL 98 3.890 0.679 0.679 699 HA VAL 98 HA VAL 98 6.000 0.584 0.584 700 HB VAL 98 HB VAL 98 4.611 2.966 2.966 701 1HG1 VAL 98 1HG1 VAL 98 7.394 2.443 2.443 702 2HG1 VAL 98 3HG1 VAL 98 6.992 3.860 3.860 703 3HG1 VAL 98 2HG1 VAL 98 6.208 3.608 3.608 704 1HG2 VAL 98 3HG2 VAL 98 6.652 1.032 1.032 705 2HG2 VAL 98 2HG2 VAL 98 5.119 1.538 1.538 706 3HG2 VAL 98 1HG2 VAL 98 6.469 2.670 2.670 707 H VAL 99 H VAL 99 5.549 0.775 0.775 708 HA VAL 99 HA VAL 99 2.904 1.945 1.945 709 HB VAL 99 HB VAL 99 4.837 0.691 0.691 710 1HG1 VAL 99 3HG1 VAL 99 1.931 1.165 1.165 711 2HG1 VAL 99 2HG1 VAL 99 2.390 -0.378 -0.378 712 3HG1 VAL 99 1HG1 VAL 99 2.978 1.140 1.140 713 1HG2 VAL 99 3HG2 VAL 99 3.764 -0.619 -0.619 714 2HG2 VAL 99 2HG2 VAL 99 5.006 -1.145 -1.145 715 3HG2 VAL 99 1HG2 VAL 99 3.304 -1.420 -1.420 716 H ASP 100 H ASP 100 3.261 2.881 2.881 717 HA ASP 100 HA ASP 100 5.771 4.258 4.258 718 1HB ASP 100 2HB ASP 100 3.331 5.710 5.710 719 2HB ASP 100 1HB ASP 100 4.564 6.550 6.550 720 H VAL 101 H VAL 101 5.957 4.923 4.923 721 HA VAL 101 HA VAL 101 3.583 4.298 4.298 722 HB VAL 101 HB VAL 101 6.545 4.638 4.638 723 1HG1 VAL 101 3HG1 VAL 101 4.880 5.556 5.556 724 2HG1 VAL 101 2HG1 VAL 101 4.543 3.850 3.850 725 3HG1 VAL 101 1HG1 VAL 101 6.180 4.476 4.476 726 1HG2 VAL 101 3HG2 VAL 101 5.487 2.480 2.480 727 2HG2 VAL 101 2HG2 VAL 101 6.503 2.301 2.301 728 3HG2 VAL 101 1HG2 VAL 101 4.744 2.274 2.274 729 HA PRO 102 HA PRO 102 3.050 8.782 8.782 730 1HB PRO 102 2HB PRO 102 0.554 8.726 8.726 731 2HB PRO 102 1HB PRO 102 0.879 8.362 8.362 732 1HG PRO 102 2HG PRO 102 0.455 6.493 6.493 733 2HG PRO 102 1HG PRO 102 -0.178 6.414 6.414 734 1HD PRO 102 2HD PRO 102 1.920 4.934 4.934 735 2HD PRO 102 1HD PRO 102 1.791 5.583 5.583 736 H ASP 103 H ASP 103 4.717 8.910 8.910 737 HA ASP 103 HA ASP 103 3.307 9.261 9.261 738 1HB ASP 103 2HB ASP 103 5.180 7.579 7.579 739 2HB ASP 103 1HB ASP 103 6.266 8.927 8.927 740 H ARG 104 H ARG 104 3.232 11.300 11.300 741 HA ARG 104 HA ARG 104 5.179 13.266 13.266 742 1HB ARG 104 2HB ARG 104 3.236 14.855 14.855 743 2HB ARG 104 1HB ARG 104 3.340 13.464 13.464 744 1HG ARG 104 2HG ARG 104 1.056 13.575 13.575 745 2HG ARG 104 1HG ARG 104 1.731 12.283 12.283 746 1HD ARG 104 2HD ARG 104 1.834 15.033 15.033 747 2HD ARG 104 1HD ARG 104 0.246 14.244 14.244 748 HE ARG 104 HE ARG 104 2.388 12.496 12.496 749 1HH1 ARG 104 1HH2 ARG 104 0.231 15.020 15.020 750 2HH1 ARG 104 2HH2 ARG 104 -0.054 14.387 14.387 751 1HH2 ARG 104 1HH1 ARG 104 1.900 11.566 11.566 752 2HH2 ARG 104 2HH1 ARG 104 0.889 12.433 12.433 753 H GLN 105 H GLN 105 4.666 15.579 15.579 754 HA GLN 105 HA GLN 105 4.367 15.069 15.069 755 1HB GLN 105 2HB GLN 105 6.533 16.006 16.006 756 2HB GLN 105 1HB GLN 105 5.898 17.426 17.426 757 1HG GLN 105 2HG GLN 105 6.993 16.738 16.738 758 2HG GLN 105 1HG GLN 105 5.865 15.383 15.383 759 1HE2 GLN 105 2HE2 GLN 105 8.763 13.343 13.343 760 2HE2 GLN 105 1HE2 GLN 105 7.531 13.891 13.891 761 H TRP 106 H TRP 106 1.995 15.609 15.609 762 HA TRP 106 HA TRP 106 1.596 18.551 18.551 763 1HB TRP 106 2HB TRP 106 1.387 17.305 17.305 764 2HB TRP 106 1HB TRP 106 -0.248 17.045 17.045 765 HD1 TRP 106 HD TRP 106 -1.817 19.124 19.124 766 HE1 TRP 106 1HE TRP 106 -1.646 21.575 21.575 767 HE3 TRP 106 3HE TRP 106 3.114 19.281 19.281 768 HZ2 TRP 106 2HZ TRP 106 0.326 23.365 23.365 769 HZ3 TRP 106 3HZ TRP 106 4.113 21.369 21.369 770 HH2 TRP 106 HH TRP 106 2.725 23.409 23.409 Start of MODEL 8 1 1H SER 1 1HT SER 1 1.875 -10.024 -10.024 2 2H SER 1 3HT SER 1 0.612 -10.420 -10.420 3 3H SER 1 2HT SER 1 2.076 -11.280 -11.280 4 HA SER 1 HA SER 1 2.364 -9.860 -9.860 5 1HB SER 1 2HB SER 1 1.416 -7.384 -7.384 6 2HB SER 1 1HB SER 1 0.846 -8.187 -8.187 7 HG SER 1 HG SER 1 -0.847 -8.574 -8.574 8 H LYS 2 H LYS 2 4.153 -8.404 -8.404 9 HA LYS 2 HA LYS 2 6.164 -8.305 -8.305 10 1HB LYS 2 2HB LYS 2 6.140 -8.017 -8.017 11 2HB LYS 2 1HB LYS 2 5.991 -6.305 -6.305 12 1HG LYS 2 2HG LYS 2 8.016 -7.542 -7.542 13 2HG LYS 2 1HG LYS 2 8.360 -7.836 -7.836 14 1HD LYS 2 2HD LYS 2 7.771 -5.279 -5.279 15 2HD LYS 2 1HD LYS 2 8.156 -5.226 -5.226 16 1HE LYS 2 2HE LYS 2 10.169 -6.772 -6.772 17 2HE LYS 2 1HE LYS 2 10.001 -5.175 -5.175 18 1HZ LYS 2 3HZ LYS 2 10.060 -5.514 -5.514 19 2HZ LYS 2 2HZ LYS 2 11.489 -5.318 -5.318 20 3HZ LYS 2 1HZ LYS 2 10.306 -4.098 -4.098 21 H VAL 3 H VAL 3 6.233 -6.959 -6.959 22 HA VAL 3 HA VAL 3 4.716 -4.379 -4.379 23 HB VAL 3 HB VAL 3 5.030 -6.476 -6.476 24 1HG1 VAL 3 1HG1 VAL 3 4.431 -3.540 -3.540 25 2HG1 VAL 3 3HG1 VAL 3 3.784 -4.735 -4.735 26 3HG1 VAL 3 2HG1 VAL 3 5.529 -4.552 -4.552 27 1HG2 VAL 3 3HG2 VAL 3 3.114 -6.360 -6.360 28 2HG2 VAL 3 2HG2 VAL 3 2.653 -6.447 -6.447 29 3HG2 VAL 3 1HG2 VAL 3 2.601 -4.904 -4.904 30 H VAL 4 H VAL 4 5.732 -2.550 -2.550 31 HA VAL 4 HA VAL 4 8.508 -2.897 -2.897 32 HB VAL 4 HB VAL 4 7.456 -1.237 -1.237 33 1HG1 VAL 4 2HG1 VAL 4 9.946 -0.637 -0.637 34 2HG1 VAL 4 1HG1 VAL 4 9.524 0.133 0.133 35 3HG1 VAL 4 3HG1 VAL 4 8.514 0.386 0.386 36 1HG2 VAL 4 1HG2 VAL 4 9.558 -3.273 -3.273 37 2HG2 VAL 4 3HG2 VAL 4 8.543 -3.015 -3.015 38 3HG2 VAL 4 2HG2 VAL 4 9.956 -1.995 -1.995 39 H TYR 5 H TYR 5 8.739 -1.950 -1.950 40 HA TYR 5 HA TYR 5 6.645 -0.112 -0.112 41 1HB TYR 5 2HB TYR 5 8.872 -1.769 -1.769 42 2HB TYR 5 1HB TYR 5 7.782 -0.814 -0.814 43 HD1 TYR 5 2HD TYR 5 5.223 -1.055 -1.055 44 HD2 TYR 5 1HD TYR 5 8.316 -4.040 -4.040 45 HE1 TYR 5 2HE TYR 5 3.526 -2.825 -2.825 46 HE2 TYR 5 1HE TYR 5 6.629 -5.748 -5.748 47 HH TYR 5 HH TYR 5 4.286 -6.030 -6.030 48 H VAL 6 H VAL 6 7.052 1.989 1.989 49 HA VAL 6 HA VAL 6 9.942 2.854 2.854 50 HB VAL 6 HB VAL 6 7.604 4.598 4.598 51 1HG1 VAL 6 2HG1 VAL 6 10.275 5.146 5.146 52 2HG1 VAL 6 1HG1 VAL 6 10.243 4.899 4.899 53 3HG1 VAL 6 3HG1 VAL 6 9.208 6.122 6.122 54 1HG2 VAL 6 2HG2 VAL 6 7.676 2.508 2.508 55 2HG2 VAL 6 1HG2 VAL 6 7.981 3.971 3.971 56 3HG2 VAL 6 3HG2 VAL 6 9.323 2.923 2.923 57 H SER 7 H SER 7 10.571 3.528 3.528 58 HA SER 7 HA SER 7 8.635 4.278 4.278 59 1HB SER 7 2HB SER 7 10.729 4.552 4.552 60 2HB SER 7 1HB SER 7 10.696 3.001 3.001 61 HG SER 7 HG SER 7 12.052 5.376 5.376 62 H HIS 8 H HIS 8 7.982 6.394 6.394 63 HA HIS 8 HA HIS 8 8.355 8.462 8.462 64 1HB HIS 8 2HB HIS 8 7.195 8.106 8.106 65 2HB HIS 8 1HB HIS 8 8.395 9.365 9.365 66 HD1 HIS 8 1HD HIS 8 5.514 8.598 8.598 67 HD2 HIS 8 2HD HIS 8 7.689 11.880 11.880 68 HE1 HIS 8 1HE HIS 8 4.351 10.659 10.659 69 H ASP 9 H ASP 9 10.723 7.327 7.327 70 HA ASP 9 HA ASP 9 12.424 9.697 9.697 71 1HB ASP 9 2HB ASP 9 13.145 8.720 8.720 72 2HB ASP 9 1HB ASP 9 12.143 7.314 7.314 73 H GLY 10 H GLY 10 11.725 7.233 7.233 74 1HA GLY 10 2HA GLY 10 12.803 7.316 7.316 75 2HA GLY 10 1HA GLY 10 14.333 7.600 7.600 76 H THR 11 H THR 11 13.979 5.532 5.532 77 HA THR 11 HA THR 11 15.166 3.329 3.329 78 HB THR 11 HB THR 11 14.042 4.091 4.091 79 HG1 THR 11 1HG THR 11 15.659 1.862 1.862 80 1HG2 THR 11 2HG2 THR 11 12.280 2.346 2.346 81 2HG2 THR 11 1HG2 THR 11 13.578 1.159 1.159 82 3HG2 THR 11 3HG2 THR 11 13.099 2.085 2.085 83 H ARG 12 H ARG 12 14.400 1.634 1.634 84 HA ARG 12 HA ARG 12 11.438 1.424 1.424 85 1HB ARG 12 2HB ARG 12 13.683 1.915 1.915 86 2HB ARG 12 1HB ARG 12 12.613 0.623 0.623 87 1HG ARG 12 2HG ARG 12 10.667 2.165 2.165 88 2HG ARG 12 1HG ARG 12 11.822 3.457 3.457 89 1HD ARG 12 2HD ARG 12 12.047 1.868 1.868 90 2HD ARG 12 1HD ARG 12 10.895 3.214 3.214 91 HE ARG 12 HE ARG 12 12.997 4.503 4.503 92 1HH1 ARG 12 1HH1 ARG 12 12.493 2.857 2.857 93 2HH1 ARG 12 2HH1 ARG 12 14.113 3.044 3.044 94 1HH2 ARG 12 1HH2 ARG 12 15.309 4.388 4.388 95 2HH2 ARG 12 2HH2 ARG 12 15.707 3.911 3.911 96 H ARG 13 H ARG 13 10.616 -0.710 -0.710 97 HA ARG 13 HA ARG 13 12.594 -2.949 -2.949 98 1HB ARG 13 2HB ARG 13 10.449 -3.967 -3.967 99 2HB ARG 13 1HB ARG 13 11.869 -3.272 -3.272 100 1HG ARG 13 2HG ARG 13 10.171 -1.085 -1.085 101 2HG ARG 13 1HG ARG 13 9.120 -2.372 -2.372 102 1HD ARG 13 2HD ARG 13 10.207 -2.491 -2.491 103 2HD ARG 13 1HD ARG 13 11.698 -1.760 -1.760 104 HE ARG 13 HE ARG 13 10.399 0.384 0.384 105 1HH1 ARG 13 1HH2 ARG 13 7.674 -0.009 -0.009 106 2HH1 ARG 13 2HH2 ARG 13 7.364 0.071 0.071 107 1HH2 ARG 13 1HH1 ARG 13 10.675 -0.441 -0.441 108 2HH2 ARG 13 2HH1 ARG 13 9.063 -0.173 -0.173 109 H GLU 14 H GLU 14 12.299 -4.193 -4.193 110 HA GLU 14 HA GLU 14 9.703 -4.100 -4.100 111 1HB GLU 14 2HB GLU 14 12.356 -5.401 -5.401 112 2HB GLU 14 1HB GLU 14 11.023 -5.090 -5.090 113 1HG GLU 14 2HG GLU 14 11.339 -2.597 -2.597 114 2HG GLU 14 1HG GLU 14 12.977 -3.174 -3.174 115 H LEU 15 H LEU 15 8.221 -5.729 -5.729 116 HA LEU 15 HA LEU 15 9.217 -8.295 -8.295 117 1HB LEU 15 2HB LEU 15 6.752 -6.634 -6.634 118 2HB LEU 15 1HB LEU 15 6.544 -8.379 -8.379 119 HG LEU 15 HG LEU 15 8.276 -6.628 -6.628 120 1HD1 LEU 15 2HD1 LEU 15 5.607 -7.697 -7.697 121 2HD1 LEU 15 1HD1 LEU 15 6.617 -8.452 -8.452 122 3HD1 LEU 15 3HD1 LEU 15 6.460 -6.699 -6.699 123 1HD2 LEU 15 1HD2 LEU 15 9.363 -8.813 -8.813 124 2HD2 LEU 15 3HD2 LEU 15 8.935 -8.613 -8.613 125 3HD2 LEU 15 2HD2 LEU 15 7.916 -9.612 -9.612 126 H ASP 16 H ASP 16 8.597 -10.242 -10.242 127 HA ASP 16 HA ASP 16 7.522 -10.047 -10.047 128 1HB ASP 16 2HB ASP 16 9.321 -11.845 -11.845 129 2HB ASP 16 1HB ASP 16 8.306 -12.631 -12.631 130 H VAL 17 H VAL 17 5.311 -9.749 -9.749 131 HA VAL 17 HA VAL 17 4.119 -11.878 -11.878 132 HB VAL 17 HB VAL 17 3.264 -9.165 -9.165 133 1HG1 VAL 17 1HG1 VAL 17 1.679 -11.271 -11.271 134 2HG1 VAL 17 3HG1 VAL 17 1.229 -9.566 -9.566 135 3HG1 VAL 17 2HG1 VAL 17 1.257 -10.475 -10.475 136 1HG2 VAL 17 3HG2 VAL 17 4.526 -10.207 -10.207 137 2HG2 VAL 17 2HG2 VAL 17 4.260 -8.530 -8.530 138 3HG2 VAL 17 1HG2 VAL 17 3.004 -9.409 -9.409 139 H ALA 18 H ALA 18 1.976 -12.736 -12.736 140 HA ALA 18 HA ALA 18 1.892 -13.124 -13.124 141 1HB ALA 18 2HB ALA 18 2.586 -15.090 -15.090 142 2HB ALA 18 1HB ALA 18 1.062 -14.991 -14.991 143 3HB ALA 18 3HB ALA 18 1.058 -15.373 -15.373 144 H ASP 19 H ASP 19 -0.657 -14.691 -14.691 145 HA ASP 19 HA ASP 19 -2.484 -12.359 -12.359 146 1HB ASP 19 2HB ASP 19 -3.827 -13.742 -13.742 147 2HB ASP 19 1HB ASP 19 -2.192 -14.244 -14.244 148 H GLY 20 H GLY 20 -3.722 -11.993 -11.993 149 1HA GLY 20 2HA GLY 20 -5.386 -12.876 -12.876 150 2HA GLY 20 1HA GLY 20 -4.351 -14.288 -14.288 151 H VAL 21 H VAL 21 -2.105 -11.982 -11.982 152 HA VAL 21 HA VAL 21 -2.115 -11.692 -11.692 153 HB VAL 21 HB VAL 21 0.014 -11.156 -11.156 154 1HG1 VAL 21 2HG1 VAL 21 0.083 -11.289 -11.289 155 2HG1 VAL 21 1HG1 VAL 21 1.529 -11.309 -11.309 156 3HG1 VAL 21 3HG1 VAL 21 0.469 -9.900 -9.900 157 1HG2 VAL 21 2HG2 VAL 21 -0.870 -13.603 -13.603 158 2HG2 VAL 21 1HG2 VAL 21 -0.017 -13.443 -13.443 159 3HG2 VAL 21 3HG2 VAL 21 0.873 -13.320 -13.320 160 H SER 22 H SER 22 -1.171 -9.582 -9.582 161 HA SER 22 HA SER 22 -2.216 -7.252 -7.252 162 1HB SER 22 2HB SER 22 -2.061 -6.652 -6.652 163 2HB SER 22 1HB SER 22 -3.520 -6.900 -6.900 164 HG SER 22 HG SER 22 -2.354 -8.502 -8.502 165 H LEU 23 H LEU 23 -0.975 -5.167 -5.167 166 HA LEU 23 HA LEU 23 1.838 -5.519 -5.519 167 1HB LEU 23 2HB LEU 23 0.358 -3.189 -3.189 168 2HB LEU 23 1HB LEU 23 1.921 -3.128 -3.128 169 HG LEU 23 HG LEU 23 -0.767 -3.491 -3.491 170 1HD1 LEU 23 1HD1 LEU 23 0.508 -1.250 -1.250 171 2HD1 LEU 23 3HD1 LEU 23 1.573 -1.844 -1.844 172 3HD1 LEU 23 2HD1 LEU 23 -0.146 -1.603 -1.603 173 1HD2 LEU 23 3HD2 LEU 23 1.910 -4.480 -4.480 174 2HD2 LEU 23 2HD2 LEU 23 0.324 -5.232 -5.232 175 3HD2 LEU 23 1HD2 LEU 23 0.763 -3.856 -3.856 176 H MET 24 H MET 24 -0.177 -5.469 -5.469 177 HA MET 24 HA MET 24 2.080 -5.187 -5.187 178 1HB MET 24 2HB MET 24 0.054 -4.336 -4.336 179 2HB MET 24 1HB MET 24 -0.854 -5.743 -5.743 180 1HG MET 24 2HG MET 24 -0.519 -6.777 -6.777 181 2HG MET 24 1HG MET 24 1.222 -6.550 -6.550 182 1HE MET 24 1HE MET 24 -1.064 -6.516 -6.516 183 2HE MET 24 3HE MET 24 0.630 -6.542 -6.542 184 3HE MET 24 2HE MET 24 -0.478 -5.337 -5.337 185 H GLN 25 H GLN 25 -0.216 -7.802 -7.802 186 HA GLN 25 HA GLN 25 0.759 -9.846 -9.846 187 1HB GLN 25 2HB GLN 25 -1.099 -9.859 -9.859 188 2HB GLN 25 1HB GLN 25 0.063 -9.857 -9.857 189 1HG GLN 25 2HG GLN 25 0.748 -12.061 -12.061 190 2HG GLN 25 1HG GLN 25 0.150 -12.015 -12.015 191 1HE2 GLN 25 2HE2 GLN 25 -3.134 -11.907 -11.907 192 2HE2 GLN 25 1HE2 GLN 25 -2.101 -10.572 -10.572 193 H ALA 26 H ALA 26 2.001 -9.604 -9.604 194 HA ALA 26 HA ALA 26 4.206 -11.308 -11.308 195 1HB ALA 26 3HB ALA 26 3.730 -8.800 -8.800 196 2HB ALA 26 2HB ALA 26 5.300 -9.642 -9.642 197 3HB ALA 26 1HB ALA 26 3.800 -10.486 -10.486 198 H ALA 27 H ALA 27 4.274 -7.753 -7.753 199 HA ALA 27 HA ALA 27 6.879 -7.414 -7.414 200 1HB ALA 27 3HB ALA 27 4.216 -6.064 -6.064 201 2HB ALA 27 2HB ALA 27 5.587 -5.450 -5.450 202 3HB ALA 27 1HB ALA 27 5.655 -5.495 -5.495 203 H VAL 28 H VAL 28 3.873 -7.654 -7.654 204 HA VAL 28 HA VAL 28 4.563 -7.748 -7.748 205 HB VAL 28 HB VAL 28 2.619 -8.865 -8.865 206 1HG1 VAL 28 2HG1 VAL 28 3.459 -10.603 -10.603 207 2HG1 VAL 28 1HG1 VAL 28 1.744 -10.488 -10.488 208 3HG1 VAL 28 3HG1 VAL 28 2.878 -11.070 -11.070 209 1HG2 VAL 28 3HG2 VAL 28 2.481 -7.008 -7.008 210 2HG2 VAL 28 2HG2 VAL 28 1.076 -8.027 -8.027 211 3HG2 VAL 28 1HG2 VAL 28 2.088 -8.350 -8.350 212 H SER 29 H SER 29 4.498 -10.742 -10.742 213 HA SER 29 HA SER 29 5.941 -12.436 -12.436 214 1HB SER 29 2HB SER 29 6.604 -12.941 -12.941 215 2HB SER 29 1HB SER 29 5.426 -13.794 -13.794 216 HG SER 29 HG SER 29 4.375 -12.900 -12.900 217 H ASN 30 H ASN 30 7.073 -10.507 -10.507 218 HA ASN 30 HA ASN 30 9.862 -11.035 -11.035 219 1HB ASN 30 2HB ASN 30 7.993 -9.185 -9.185 220 2HB ASN 30 1HB ASN 30 9.594 -8.499 -8.499 221 1HD2 ASN 30 2HD2 ASN 30 9.053 -11.308 -11.308 222 2HD2 ASN 30 1HD2 ASN 30 7.762 -10.659 -10.659 223 H GLY 31 H GLY 31 7.761 -9.414 -9.414 224 1HA GLY 31 2HA GLY 31 8.318 -8.348 -8.348 225 2HA GLY 31 1HA GLY 31 10.017 -8.381 -8.381 226 H ILE 32 H ILE 32 8.633 -7.207 -7.207 227 HA ILE 32 HA ILE 32 9.569 -4.606 -4.606 228 HB ILE 32 HB ILE 32 7.279 -5.983 -5.983 229 1HG1 ILE 32 2HG1 ILE 32 9.916 -4.768 -4.768 230 2HG1 ILE 32 1HG1 ILE 32 9.463 -6.474 -6.474 231 1HG2 ILE 32 3HG2 ILE 32 7.995 -3.049 -3.049 232 2HG2 ILE 32 2HG2 ILE 32 6.922 -3.939 -3.939 233 3HG2 ILE 32 1HG2 ILE 32 6.467 -3.691 -3.691 234 1HD1 ILE 32 1HD1 ILE 32 7.479 -5.404 -5.404 235 2HD1 ILE 32 3HD1 ILE 32 8.826 -4.343 -4.343 236 3HD1 ILE 32 2HD1 ILE 32 8.970 -6.083 -6.083 237 H TYR 33 H TYR 33 6.604 -5.896 -5.896 238 HA TYR 33 HA TYR 33 5.938 -3.153 -3.153 239 1HB TYR 33 2HB TYR 33 4.386 -5.676 -5.676 240 2HB TYR 33 1HB TYR 33 3.724 -4.369 -4.369 241 HD1 TYR 33 1HD TYR 33 3.873 -1.966 -1.966 242 HD2 TYR 33 2HD TYR 33 4.235 -5.578 -5.578 243 HE1 TYR 33 1HE TYR 33 3.328 -0.707 -0.707 244 HE2 TYR 33 2HE TYR 33 3.663 -4.361 -4.361 245 HH TYR 33 HH TYR 33 2.719 -2.367 -2.367 246 H ASP 34 H ASP 34 7.942 -4.039 -4.039 247 HA ASP 34 HA ASP 34 7.002 -5.642 -5.642 248 1HB ASP 34 2HB ASP 34 9.163 -4.944 -4.944 249 2HB ASP 34 1HB ASP 34 9.394 -5.399 -5.399 250 H ILE 35 H ILE 35 5.057 -3.773 -3.773 251 HA ILE 35 HA ILE 35 5.453 -1.565 -1.565 252 HB ILE 35 HB ILE 35 3.831 -0.390 -0.390 253 1HG1 ILE 35 2HG1 ILE 35 3.007 -1.937 -1.937 254 2HG1 ILE 35 1HG1 ILE 35 3.119 -3.150 -3.150 255 1HG2 ILE 35 3HG2 ILE 35 5.937 -1.886 -1.886 256 2HG2 ILE 35 2HG2 ILE 35 4.740 -0.977 -0.977 257 3HG2 ILE 35 1HG2 ILE 35 5.759 -0.151 -0.151 258 1HD1 ILE 35 3HD1 ILE 35 1.910 -0.971 -0.971 259 2HD1 ILE 35 2HD1 ILE 35 1.168 -1.013 -1.013 260 3HD1 ILE 35 1HD1 ILE 35 1.095 -2.433 -2.433 261 H VAL 36 H VAL 36 3.143 -0.938 -0.938 262 HA VAL 36 HA VAL 36 1.723 -3.436 -3.436 263 HB VAL 36 HB VAL 36 2.871 -2.617 -2.617 264 1HG1 VAL 36 3HG1 VAL 36 2.395 0.006 0.006 265 2HG1 VAL 36 2HG1 VAL 36 2.405 0.016 0.016 266 3HG1 VAL 36 1HG1 VAL 36 3.812 -0.574 -0.574 267 1HG2 VAL 36 2HG2 VAL 36 0.328 -2.856 -2.856 268 2HG2 VAL 36 1HG2 VAL 36 1.159 -1.918 -1.918 269 3HG2 VAL 36 3HG2 VAL 36 0.270 -1.094 -1.094 270 H GLY 37 H GLY 37 -0.041 -3.347 -3.347 271 1HA GLY 37 2HA GLY 37 -1.662 -0.829 -0.829 272 2HA GLY 37 1HA GLY 37 -1.567 -1.851 -1.851 273 H ASP 38 H ASP 38 -4.055 -1.465 -1.465 274 HA ASP 38 HA ASP 38 -4.930 -3.596 -3.596 275 1HB ASP 38 2HB ASP 38 -5.734 -0.963 -0.963 276 2HB ASP 38 1HB ASP 38 -7.022 -2.001 -2.001 277 H CYS 39 H CYS 39 -4.219 -3.344 -3.344 278 HA CYS 39 HA CYS 39 -6.470 -4.592 -4.592 279 1HB CYS 39 2HB CYS 39 -4.738 -4.979 -4.979 280 2HB CYS 39 1HB CYS 39 -4.777 -3.328 -3.328 281 H GLY 40 H GLY 40 -3.530 -5.856 -5.856 282 1HA GLY 40 2HA GLY 40 -2.852 -8.094 -8.094 283 2HA GLY 40 1HA GLY 40 -4.558 -8.340 -8.340 284 H GLY 41 H GLY 41 -3.462 -7.221 -7.221 285 1HA GLY 41 2HA GLY 41 -3.383 -8.316 -8.316 286 2HA GLY 41 1HA GLY 41 -3.694 -9.850 -9.850 287 H SER 42 H SER 42 -5.614 -6.884 -6.884 288 HA SER 42 HA SER 42 -7.817 -8.205 -8.205 289 1HB SER 42 2HB SER 42 -7.923 -8.677 -8.677 290 2HB SER 42 1HB SER 42 -8.066 -6.943 -6.943 291 HG SER 42 HG SER 42 -9.948 -8.729 -8.729 292 H ALA 43 H ALA 43 -5.972 -5.534 -5.534 293 HA ALA 43 HA ALA 43 -6.241 -3.462 -3.462 294 1HB ALA 43 2HB ALA 43 -8.030 -5.162 -5.162 295 2HB ALA 43 1HB ALA 43 -9.109 -3.913 -3.913 296 3HB ALA 43 3HB ALA 43 -7.829 -3.491 -3.491 297 H SER 44 H SER 44 -6.622 -3.523 -3.523 298 HA SER 44 HA SER 44 -8.520 -1.238 -1.238 299 1HB SER 44 2HB SER 44 -9.175 -3.646 -3.646 300 2HB SER 44 1HB SER 44 -8.027 -3.269 -3.269 301 HG SER 44 HG SER 44 -10.026 -2.538 -2.538 302 H CYS 45 H CYS 45 -5.747 -1.014 -1.014 303 HA CYS 45 HA CYS 45 -4.582 -0.563 -0.563 304 1HB CYS 45 2HB CYS 45 -2.385 -0.572 -0.572 305 2HB CYS 45 1HB CYS 45 -3.188 -2.062 -2.062 306 H ALA 46 H ALA 46 -3.977 1.361 1.361 307 HA ALA 46 HA ALA 46 -4.070 3.709 3.709 308 1HB ALA 46 3HB ALA 46 -4.056 3.185 3.185 309 2HB ALA 46 2HB ALA 46 -3.589 4.779 4.779 310 3HB ALA 46 1HB ALA 46 -5.195 4.141 4.141 311 H THR 47 H THR 47 -1.891 1.376 1.376 312 HA THR 47 HA THR 47 0.459 3.209 3.209 313 HB THR 47 HB THR 47 1.553 0.998 0.998 314 HG1 THR 47 1HG THR 47 -1.135 0.179 0.179 315 1HG2 THR 47 1HG2 THR 47 0.433 2.850 2.850 316 2HG2 THR 47 3HG2 THR 47 -0.795 1.615 1.615 317 3HG2 THR 47 2HG2 THR 47 0.883 1.306 1.306 318 H CYS 48 H CYS 48 -0.760 0.396 0.396 319 HA CYS 48 HA CYS 48 1.589 0.410 0.410 320 1HB CYS 48 2HB CYS 48 -0.969 -0.922 -0.922 321 2HB CYS 48 1HB CYS 48 0.680 -1.463 -1.463 322 H HIS 49 H HIS 49 -0.226 2.905 2.905 323 HA HIS 49 HA HIS 49 -1.768 3.370 3.370 324 1HB HIS 49 2HB HIS 49 -1.130 4.872 4.872 325 2HB HIS 49 1HB HIS 49 0.347 5.241 5.241 326 HD1 HIS 49 1HD HIS 49 -1.602 7.524 7.524 327 HD2 HIS 49 2HD HIS 49 -1.742 5.242 5.242 328 HE1 HIS 49 1HE HIS 49 -2.890 8.886 8.886 329 H VAL 50 H VAL 50 -1.267 3.556 3.556 330 HA VAL 50 HA VAL 50 1.594 3.671 3.671 331 HB VAL 50 HB VAL 50 1.079 1.807 1.807 332 1HG1 VAL 50 2HG1 VAL 50 1.252 1.594 1.594 333 2HG1 VAL 50 1HG1 VAL 50 0.677 0.141 0.141 334 3HG1 VAL 50 3HG1 VAL 50 2.235 0.842 0.842 335 1HG2 VAL 50 3HG2 VAL 50 -1.395 2.248 2.248 336 2HG2 VAL 50 2HG2 VAL 50 -0.951 0.540 0.540 337 3HG2 VAL 50 1HG2 VAL 50 -1.393 1.488 1.488 338 H TYR 51 H TYR 51 1.860 4.384 4.384 339 HA TYR 51 HA TYR 51 -0.604 5.397 5.397 340 1HB TYR 51 2HB TYR 51 2.017 6.665 6.665 341 2HB TYR 51 1HB TYR 51 1.124 7.232 7.232 342 HD1 TYR 51 2HD TYR 51 0.901 6.714 6.714 343 HD2 TYR 51 1HD TYR 51 -0.940 8.398 8.398 344 HE1 TYR 51 2HE TYR 51 -0.751 7.916 7.916 345 HE2 TYR 51 1HE TYR 51 -2.539 9.592 9.592 346 HH TYR 51 HH TYR 51 -3.439 8.957 8.957 347 H VAL 52 H VAL 52 -0.840 4.649 4.649 348 HA VAL 52 HA VAL 52 1.383 3.055 3.055 349 HB VAL 52 HB VAL 52 -1.468 3.443 3.443 350 1HG1 VAL 52 1HG1 VAL 52 0.167 2.373 2.373 351 2HG1 VAL 52 3HG1 VAL 52 0.463 1.123 1.123 352 3HG1 VAL 52 2HG1 VAL 52 -1.139 1.286 1.286 353 1HG2 VAL 52 1HG2 VAL 52 -0.436 2.097 2.097 354 2HG2 VAL 52 3HG2 VAL 52 -2.109 2.397 2.397 355 3HG2 VAL 52 2HG2 VAL 52 -1.263 0.972 0.972 356 H ASN 53 H ASN 53 1.721 3.360 3.360 357 HA ASN 53 HA ASN 53 2.407 6.112 6.112 358 1HB ASN 53 2HB ASN 53 2.813 5.062 5.062 359 2HB ASN 53 1HB ASN 53 3.635 4.256 4.256 360 1HD2 ASN 53 2HD2 ASN 53 1.821 1.270 1.270 361 2HD2 ASN 53 1HD2 ASN 53 3.016 2.111 2.111 362 H GLU 54 H GLU 54 1.409 6.017 6.017 363 HA GLU 54 HA GLU 54 -1.364 6.954 6.954 364 1HB GLU 54 2HB GLU 54 -1.031 8.198 8.198 365 2HB GLU 54 1HB GLU 54 0.280 8.515 8.515 366 1HG GLU 54 2HG GLU 54 1.826 7.317 7.317 367 2HG GLU 54 1HG GLU 54 0.606 6.238 6.238 368 H ALA 55 H ALA 55 0.343 4.377 4.377 369 HA ALA 55 HA ALA 55 -1.943 3.839 3.839 370 1HB ALA 55 2HB ALA 55 0.538 3.913 3.913 371 2HB ALA 55 1HB ALA 55 0.677 2.363 2.363 372 3HB ALA 55 3HB ALA 55 -0.376 2.519 2.519 373 H PHE 56 H PHE 56 -0.239 2.171 2.171 374 HA PHE 56 HA PHE 56 -1.881 -0.244 -0.244 375 1HB PHE 56 2HB PHE 56 0.120 0.700 0.700 376 2HB PHE 56 1HB PHE 56 -0.589 -0.909 -0.909 377 HD1 PHE 56 1HD PHE 56 1.547 1.438 1.438 378 HD2 PHE 56 2HD PHE 56 0.158 -2.649 -2.649 379 HE1 PHE 56 1HE PHE 56 3.195 0.748 0.748 380 HE2 PHE 56 2HE PHE 56 1.795 -3.282 -3.282 381 HZ PHE 56 HZ PHE 56 3.323 -1.610 -1.610 382 H THR 57 H THR 57 -2.318 2.747 2.747 383 HA THR 57 HA THR 57 -3.970 1.732 1.732 384 HB THR 57 HB THR 57 -3.911 3.920 3.920 385 HG1 THR 57 1HG THR 57 -5.134 5.019 5.019 386 1HG2 THR 57 3HG2 THR 57 -1.585 3.171 3.171 387 2HG2 THR 57 2HG2 THR 57 -1.918 4.580 4.580 388 3HG2 THR 57 1HG2 THR 57 -1.794 4.750 4.750 389 H ASP 58 H ASP 58 -4.453 2.922 2.922 390 HA ASP 58 HA ASP 58 -7.343 3.284 3.284 391 1HB ASP 58 2HB ASP 58 -7.113 3.561 3.561 392 2HB ASP 58 1HB ASP 58 -6.047 4.609 4.609 393 H LYS 59 H LYS 59 -5.176 0.683 0.683 394 HA LYS 59 HA LYS 59 -7.243 -0.955 -0.955 395 1HB LYS 59 2HB LYS 59 -4.457 -1.527 -1.527 396 2HB LYS 59 1HB LYS 59 -5.389 -2.622 -2.622 397 1HG LYS 59 2HG LYS 59 -4.329 0.122 0.122 398 2HG LYS 59 1HG LYS 59 -3.919 -1.419 -1.419 399 1HD LYS 59 2HD LYS 59 -6.639 -1.395 -1.395 400 2HD LYS 59 1HD LYS 59 -6.263 0.323 0.323 401 1HE LYS 59 2HE LYS 59 -4.928 -1.893 -1.893 402 2HE LYS 59 1HE LYS 59 -6.156 -0.771 -0.771 403 1HZ LYS 59 2HZ LYS 59 -4.649 1.046 1.046 404 2HZ LYS 59 1HZ LYS 59 -3.440 -0.142 -0.142 405 3HZ LYS 59 3HZ LYS 59 -4.117 0.239 0.239 406 H VAL 60 H VAL 60 -5.392 -1.138 -1.138 407 HA VAL 60 HA VAL 60 -6.438 -3.332 -3.332 408 HB VAL 60 HB VAL 60 -6.165 -1.848 -1.848 409 1HG1 VAL 60 2HG1 VAL 60 -4.031 -1.966 -1.966 410 2HG1 VAL 60 1HG1 VAL 60 -3.719 -1.455 -1.455 411 3HG1 VAL 60 3HG1 VAL 60 -4.276 -3.096 -3.096 412 1HG2 VAL 60 2HG2 VAL 60 -6.883 0.228 0.228 413 2HG2 VAL 60 1HG2 VAL 60 -5.428 0.408 0.408 414 3HG2 VAL 60 3HG2 VAL 60 -5.295 0.192 0.192 415 HA PRO 61 HA PRO 61 -10.777 -2.785 -2.785 416 1HB PRO 61 2HB PRO 61 -11.164 -3.986 -3.986 417 2HB PRO 61 1HB PRO 61 -10.879 -4.876 -4.876 418 1HG PRO 61 2HG PRO 61 -8.952 -4.161 -4.161 419 2HG PRO 61 1HG PRO 61 -9.127 -5.687 -5.687 420 1HD PRO 61 2HD PRO 61 -7.185 -3.926 -3.926 421 2HD PRO 61 1HD PRO 61 -7.992 -4.900 -4.900 422 H ALA 62 H ALA 62 -12.362 -1.773 -1.773 423 HA ALA 62 HA ALA 62 -11.463 0.687 0.687 424 1HB ALA 62 2HB ALA 62 -13.600 -0.290 -0.290 425 2HB ALA 62 1HB ALA 62 -14.300 0.030 0.030 426 3HB ALA 62 3HB ALA 62 -13.483 1.323 1.323 427 H ALA 63 H ALA 63 -10.973 0.725 0.725 428 HA ALA 63 HA ALA 63 -11.705 -1.342 -1.342 429 1HB ALA 63 3HB ALA 63 -9.719 0.345 0.345 430 2HB ALA 63 2HB ALA 63 -10.846 1.471 1.471 431 3HB ALA 63 1HB ALA 63 -10.422 -0.034 -0.034 432 H ASN 64 H ASN 64 -13.031 -0.883 -0.883 433 HA ASN 64 HA ASN 64 -15.472 0.666 0.666 434 1HB ASN 64 2HB ASN 64 -16.402 -0.675 -0.675 435 2HB ASN 64 1HB ASN 64 -15.804 -1.647 -1.647 436 1HD2 ASN 64 2HD2 ASN 64 -14.320 -3.174 -3.174 437 2HD2 ASN 64 1HD2 ASN 64 -15.861 -3.041 -3.041 438 H GLU 65 H GLU 65 -16.534 1.216 1.216 439 HA GLU 65 HA GLU 65 -15.320 3.641 3.641 440 1HB GLU 65 2HB GLU 65 -17.009 3.597 3.597 441 2HB GLU 65 1HB GLU 65 -17.686 2.688 2.688 442 1HG GLU 65 2HG GLU 65 -16.923 0.576 0.576 443 2HG GLU 65 1HG GLU 65 -16.349 1.513 1.513 444 H ARG 66 H ARG 66 -14.560 0.355 0.355 445 HA ARG 66 HA ARG 66 -13.322 0.809 0.809 446 1HB ARG 66 2HB ARG 66 -13.720 -1.293 -1.293 447 2HB ARG 66 1HB ARG 66 -11.994 -1.229 -1.229 448 1HG ARG 66 2HG ARG 66 -12.594 -1.171 -1.171 449 2HG ARG 66 1HG ARG 66 -14.268 -1.494 -1.494 450 1HD ARG 66 2HD ARG 66 -13.453 -3.559 -3.559 451 2HD ARG 66 1HD ARG 66 -11.855 -3.270 -3.270 452 HE ARG 66 HE ARG 66 -14.343 -3.799 -3.799 453 1HH1 ARG 66 1HH1 ARG 66 -11.646 -2.276 -2.276 454 2HH1 ARG 66 2HH1 ARG 66 -10.980 -3.509 -3.509 455 1HH2 ARG 66 1HH2 ARG 66 -13.180 -5.962 -5.962 456 2HH2 ARG 66 2HH2 ARG 66 -11.849 -5.594 -5.594 457 H GLU 67 H GLU 67 -11.876 0.521 0.521 458 HA GLU 67 HA GLU 67 -9.202 1.146 1.146 459 1HB GLU 67 2HB GLU 67 -9.564 0.240 0.240 460 2HB GLU 67 1HB GLU 67 -10.955 1.270 1.270 461 1HG GLU 67 2HG GLU 67 -8.943 1.888 1.888 462 2HG GLU 67 1HG GLU 67 -9.521 3.200 3.200 463 H ILE 68 H ILE 68 -11.970 3.191 3.191 464 HA ILE 68 HA ILE 68 -10.418 5.660 5.660 465 HB ILE 68 HB ILE 68 -13.291 4.862 4.862 466 1HG1 ILE 68 2HG1 ILE 68 -13.354 6.324 6.324 467 2HG1 ILE 68 1HG1 ILE 68 -11.611 6.051 6.051 468 1HG2 ILE 68 2HG2 ILE 68 -12.843 6.956 6.956 469 2HG2 ILE 68 1HG2 ILE 68 -12.311 7.726 7.726 470 3HG2 ILE 68 3HG2 ILE 68 -13.981 7.183 7.183 471 1HD1 ILE 68 2HD1 ILE 68 -12.057 3.588 3.588 472 2HD1 ILE 68 1HD1 ILE 68 -13.778 3.931 3.931 473 3HD1 ILE 68 3HD1 ILE 68 -12.662 4.300 4.300 474 H GLY 69 H GLY 69 -11.157 3.698 3.698 475 1HA GLY 69 2HA GLY 69 -11.214 5.968 5.968 476 2HA GLY 69 1HA GLY 69 -11.383 4.274 4.274 477 H MET 70 H MET 70 -9.348 2.951 2.951 478 HA MET 70 HA MET 70 -7.220 4.044 4.044 479 1HB MET 70 2HB MET 70 -6.037 2.257 2.257 480 2HB MET 70 1HB MET 70 -6.462 1.915 1.915 481 1HG MET 70 2HG MET 70 -7.472 0.279 0.279 482 2HG MET 70 1HG MET 70 -8.745 1.263 1.263 483 1HE MET 70 1HE MET 70 -7.392 -0.438 -0.438 484 2HE MET 70 3HE MET 70 -8.800 -0.375 -0.375 485 3HE MET 70 2HE MET 70 -7.286 0.403 0.403 486 H LEU 71 H LEU 71 -7.700 4.028 4.028 487 HA LEU 71 HA LEU 71 -5.163 5.158 5.158 488 1HB LEU 71 2HB LEU 71 -7.151 3.901 3.901 489 2HB LEU 71 1HB LEU 71 -7.758 5.538 5.538 490 HG LEU 71 HG LEU 71 -5.701 4.140 4.140 491 1HD1 LEU 71 2HD1 LEU 71 -7.752 5.939 5.939 492 2HD1 LEU 71 1HD1 LEU 71 -6.305 6.927 6.927 493 3HD1 LEU 71 3HD1 LEU 71 -6.551 5.455 5.455 494 1HD2 LEU 71 3HD2 LEU 71 -4.924 6.794 6.794 495 2HD2 LEU 71 2HD2 LEU 71 -4.079 5.264 5.264 496 3HD2 LEU 71 1HD2 LEU 71 -4.095 6.055 6.055 497 H GLU 72 H GLU 72 -8.136 6.401 6.401 498 HA GLU 72 HA GLU 72 -7.545 9.221 9.221 499 1HB GLU 72 2HB GLU 72 -9.824 8.777 8.777 500 2HB GLU 72 1HB GLU 72 -9.764 7.572 7.572 501 1HG GLU 72 2HG GLU 72 -10.228 9.088 9.088 502 2HG GLU 72 1HG GLU 72 -9.077 10.263 10.263 503 H CYS 73 H CYS 73 -7.679 7.061 7.061 504 HA CYS 73 HA CYS 73 -7.323 8.896 8.896 505 1HB CYS 73 2HB CYS 73 -6.451 6.095 6.095 506 2HB CYS 73 1HB CYS 73 -5.743 6.878 6.878 507 HG CYS 73 HG CYS 73 -7.995 6.935 6.935 508 H VAL 74 H VAL 74 -4.891 7.508 7.508 509 HA VAL 74 HA VAL 74 -2.800 9.309 9.309 510 HB VAL 74 HB VAL 74 -1.487 8.041 8.041 511 1HG1 VAL 74 3HG1 VAL 74 -1.545 7.667 7.667 512 2HG1 VAL 74 2HG1 VAL 74 -2.578 6.287 6.287 513 3HG1 VAL 74 1HG1 VAL 74 -0.936 6.360 6.360 514 1HG2 VAL 74 3HG2 VAL 74 -3.810 7.229 7.229 515 2HG2 VAL 74 2HG2 VAL 74 -2.449 6.105 6.105 516 3HG2 VAL 74 1HG2 VAL 74 -3.684 6.015 6.015 517 H THR 75 H THR 75 -4.237 11.157 11.157 518 HA THR 75 HA THR 75 -4.945 11.795 11.795 519 HB THR 75 HB THR 75 -5.335 13.105 13.105 520 HG1 THR 75 1HG THR 75 -4.575 15.197 15.197 521 1HG2 THR 75 2HG2 THR 75 -2.546 12.936 12.936 522 2HG2 THR 75 1HG2 THR 75 -2.865 14.633 14.633 523 3HG2 THR 75 3HG2 THR 75 -3.624 13.870 13.870 524 H ALA 76 H ALA 76 -3.598 11.322 11.322 525 HA ALA 76 HA ALA 76 -0.905 12.647 12.647 526 1HB ALA 76 1HB ALA 76 -1.125 10.053 10.053 527 2HB ALA 76 3HB ALA 76 -1.626 10.117 10.117 528 3HB ALA 76 2HB ALA 76 -0.027 10.693 10.693 529 H GLU 77 H GLU 77 -2.797 14.247 14.247 530 HA GLU 77 HA GLU 77 -3.888 15.204 15.204 531 1HB GLU 77 2HB GLU 77 -2.185 15.559 15.559 532 2HB GLU 77 1HB GLU 77 -1.582 15.947 15.947 533 1HG GLU 77 2HG GLU 77 -0.398 13.845 13.845 534 2HG GLU 77 1HG GLU 77 -1.142 13.276 13.276 535 H LEU 78 H LEU 78 -4.996 12.877 12.877 536 HA LEU 78 HA LEU 78 -4.897 10.712 10.712 537 1HB LEU 78 2HB LEU 78 -6.870 12.385 12.385 538 2HB LEU 78 1HB LEU 78 -7.523 11.719 11.719 539 HG LEU 78 HG LEU 78 -6.771 9.449 9.449 540 1HD1 LEU 78 1HD1 LEU 78 -5.445 11.040 11.040 541 2HD1 LEU 78 3HD1 LEU 78 -6.500 9.854 9.854 542 3HD1 LEU 78 2HD1 LEU 78 -5.250 9.325 9.325 543 1HD2 LEU 78 2HD2 LEU 78 -8.712 11.084 11.084 544 2HD2 LEU 78 1HD2 LEU 78 -9.029 9.773 9.773 545 3HD2 LEU 78 3HD2 LEU 78 -8.401 9.413 9.413 546 H LYS 79 H LYS 79 -5.195 10.145 10.145 547 HA LYS 79 HA LYS 79 -5.860 12.282 12.282 548 1HB LYS 79 2HB LYS 79 -4.002 10.459 10.459 549 2HB LYS 79 1HB LYS 79 -3.747 12.164 12.164 550 1HG LYS 79 2HG LYS 79 -3.329 11.069 11.069 551 2HG LYS 79 1HG LYS 79 -2.776 9.776 9.776 552 1HD LYS 79 2HD LYS 79 -0.855 10.861 10.861 553 2HD LYS 79 1HD LYS 79 -1.670 12.027 12.027 554 1HE LYS 79 2HE LYS 79 -2.220 13.435 13.435 555 2HE LYS 79 1HE LYS 79 -1.647 12.194 12.194 556 1HZ LYS 79 1HZ LYS 79 0.278 12.835 12.835 557 2HZ LYS 79 3HZ LYS 79 -0.110 14.177 14.177 558 3HZ LYS 79 2HZ LYS 79 0.475 12.755 12.755 559 HA PRO 80 HA PRO 80 -8.325 9.192 9.192 560 1HB PRO 80 2HB PRO 80 -7.335 8.755 8.755 561 2HB PRO 80 1HB PRO 80 -8.263 10.203 10.203 562 1HG PRO 80 2HG PRO 80 -5.314 9.833 9.833 563 2HG PRO 80 1HG PRO 80 -6.326 11.196 11.196 564 1HD PRO 80 2HD PRO 80 -4.851 11.278 11.278 565 2HD PRO 80 1HD PRO 80 -6.423 12.093 12.093 566 H ASN 81 H ASN 81 -4.871 8.492 8.492 567 HA ASN 81 HA ASN 81 -5.502 5.574 5.574 568 1HB ASN 81 2HB ASN 81 -3.094 5.463 5.463 569 2HB ASN 81 1HB ASN 81 -4.099 6.451 6.451 570 1HD2 ASN 81 2HD2 ASN 81 -0.998 8.383 8.383 571 2HD2 ASN 81 1HD2 ASN 81 -1.295 6.888 6.888 572 H SER 82 H SER 82 -4.926 7.665 7.665 573 HA SER 82 HA SER 82 -2.746 6.518 6.518 574 1HB SER 82 2HB SER 82 -5.304 7.326 7.326 575 2HB SER 82 1HB SER 82 -3.650 7.710 7.710 576 HG SER 82 HG SER 82 -3.895 8.783 8.783 577 H ARG 83 H ARG 83 -2.708 4.756 4.756 578 HA ARG 83 HA ARG 83 -5.173 3.124 3.124 579 1HB ARG 83 2HB ARG 83 -2.780 2.478 2.478 580 2HB ARG 83 1HB ARG 83 -3.519 1.152 1.152 581 1HG ARG 83 2HG ARG 83 -5.034 3.005 3.005 582 2HG ARG 83 1HG ARG 83 -4.429 1.412 1.412 583 1HD ARG 83 2HD ARG 83 -5.764 0.669 0.669 584 2HD ARG 83 1HD ARG 83 -6.710 2.119 2.119 585 HE ARG 83 HE ARG 83 -6.272 -0.174 -0.174 586 1HH1 ARG 83 1HH2 ARG 83 -7.400 3.021 3.021 587 2HH1 ARG 83 2HH2 ARG 83 -8.831 2.792 2.792 588 1HH2 ARG 83 1HH1 ARG 83 -8.323 -0.610 -0.610 589 2HH2 ARG 83 2HH1 ARG 83 -9.351 0.739 0.739 590 H LEU 84 H LEU 84 -4.508 1.005 1.005 591 HA LEU 84 HA LEU 84 -2.582 1.607 1.607 592 1HB LEU 84 2HB LEU 84 -5.374 0.927 0.927 593 2HB LEU 84 1HB LEU 84 -4.492 -0.491 -0.491 594 HG LEU 84 HG LEU 84 -4.421 2.285 2.285 595 1HD1 LEU 84 1HD1 LEU 84 -5.663 -0.316 -0.316 596 2HD1 LEU 84 3HD1 LEU 84 -4.838 0.395 0.395 597 3HD1 LEU 84 2HD1 LEU 84 -6.092 1.295 1.295 598 1HD2 LEU 84 2HD2 LEU 84 -2.485 0.029 0.029 599 2HD2 LEU 84 1HD2 LEU 84 -2.224 1.756 1.756 600 3HD2 LEU 84 3HD2 LEU 84 -2.886 0.781 0.781 601 H SER 85 H SER 85 -0.921 0.064 0.064 602 HA SER 85 HA SER 85 -0.120 -1.591 -1.591 603 1HB SER 85 2HB SER 85 -0.016 -2.436 -2.436 604 2HB SER 85 1HB SER 85 1.128 -2.809 -2.809 605 HG SER 85 HG SER 85 1.837 -0.761 -0.761 606 H CYS 86 H CYS 86 -2.776 -2.258 -2.258 607 HA CYS 86 HA CYS 86 -3.080 -4.989 -4.989 608 1HB CYS 86 2HB CYS 86 -4.448 -3.901 -3.901 609 2HB CYS 86 1HB CYS 86 -4.132 -5.575 -5.575 610 H GLN 87 H GLN 87 -3.956 -2.927 -2.927 611 HA GLN 87 HA GLN 87 -6.943 -3.209 -3.209 612 1HB GLN 87 2HB GLN 87 -5.337 -0.964 -0.964 613 2HB GLN 87 1HB GLN 87 -7.084 -1.010 -1.010 614 1HG GLN 87 2HG GLN 87 -5.037 -1.037 -1.037 615 2HG GLN 87 1HG GLN 87 -5.998 0.357 0.357 616 1HE2 GLN 87 2HE2 GLN 87 -7.572 -1.882 -1.882 617 2HE2 GLN 87 1HE2 GLN 87 -5.917 -1.655 -1.655 618 H ILE 88 H ILE 88 -4.237 -2.607 -2.607 619 HA ILE 88 HA ILE 88 -5.781 -3.353 -3.353 620 HB ILE 88 HB ILE 88 -2.838 -3.097 -3.097 621 1HG1 ILE 88 2HG1 ILE 88 -4.637 -0.863 -0.863 622 2HG1 ILE 88 1HG1 ILE 88 -3.118 -1.416 -1.416 623 1HG2 ILE 88 3HG2 ILE 88 -5.090 -2.872 -2.872 624 2HG2 ILE 88 2HG2 ILE 88 -4.422 -1.245 -1.245 625 3HG2 ILE 88 1HG2 ILE 88 -3.407 -2.575 -2.575 626 1HD1 ILE 88 3HD1 ILE 88 -2.107 -0.757 -0.757 627 2HD1 ILE 88 2HD1 ILE 88 -3.560 0.233 0.233 628 3HD1 ILE 88 1HD1 ILE 88 -2.436 0.504 0.504 629 H ILE 89 H ILE 89 -5.383 -5.114 -5.114 630 HA ILE 89 HA ILE 89 -3.911 -7.392 -7.392 631 HB ILE 89 HB ILE 89 -6.335 -7.123 -7.123 632 1HG1 ILE 89 2HG1 ILE 89 -6.894 -7.070 -7.070 633 2HG1 ILE 89 1HG1 ILE 89 -7.233 -8.719 -8.719 634 1HG2 ILE 89 3HG2 ILE 89 -4.804 -8.861 -8.861 635 2HG2 ILE 89 2HG2 ILE 89 -4.848 -9.684 -9.684 636 3HG2 ILE 89 1HG2 ILE 89 -6.320 -9.534 -9.534 637 1HD1 ILE 89 1HD1 ILE 89 -4.855 -9.291 -9.291 638 2HD1 ILE 89 3HD1 ILE 89 -4.856 -7.720 -7.720 639 3HD1 ILE 89 2HD1 ILE 89 -6.030 -8.950 -8.950 640 H MET 90 H MET 90 -2.764 -8.783 -8.783 641 HA MET 90 HA MET 90 -1.750 -7.142 -7.142 642 1HB MET 90 2HB MET 90 -0.544 -8.529 -8.529 643 2HB MET 90 1HB MET 90 -0.195 -9.482 -9.482 644 1HG MET 90 2HG MET 90 1.496 -7.652 -7.652 645 2HG MET 90 1HG MET 90 0.916 -7.668 -7.668 646 1HE MET 90 1HE MET 90 0.072 -6.300 -6.300 647 2HE MET 90 3HE MET 90 -1.385 -5.411 -5.411 648 3HE MET 90 2HE MET 90 0.148 -4.560 -4.560 649 H THR 91 H THR 91 -2.998 -7.757 -7.757 650 HA THR 91 HA THR 91 -3.665 -10.619 -10.619 651 HB THR 91 HB THR 91 -4.672 -9.371 -9.371 652 HG1 THR 91 1HG THR 91 -3.552 -7.425 -7.425 653 1HG2 THR 91 2HG2 THR 91 -5.847 -10.437 -10.437 654 2HG2 THR 91 1HG2 THR 91 -5.867 -8.820 -8.820 655 3HG2 THR 91 3HG2 THR 91 -6.711 -9.131 -9.131 656 HA PRO 92 HA PRO 92 -0.426 -11.346 -11.346 657 1HB PRO 92 2HB PRO 92 -1.653 -12.883 -12.883 658 2HB PRO 92 1HB PRO 92 -1.232 -13.483 -13.483 659 1HG PRO 92 2HG PRO 92 -3.861 -12.612 -12.612 660 2HG PRO 92 1HG PRO 92 -3.474 -13.897 -13.897 661 1HD PRO 92 2HD PRO 92 -4.477 -11.438 -11.438 662 2HD PRO 92 1HD PRO 92 -3.535 -12.485 -12.485 663 H GLU 93 H GLU 93 -2.981 -9.349 -9.349 664 HA GLU 93 HA GLU 93 -1.915 -8.712 -8.712 665 1HB GLU 93 2HB GLU 93 -4.174 -7.491 -7.491 666 2HB GLU 93 1HB GLU 93 -4.249 -9.251 -9.251 667 1HG GLU 93 2HG GLU 93 -5.129 -9.255 -9.255 668 2HG GLU 93 1HG GLU 93 -4.228 -7.820 -7.820 669 H LEU 94 H LEU 94 -2.521 -7.475 -7.475 670 HA LEU 94 HA LEU 94 -1.655 -4.729 -4.729 671 1HB LEU 94 2HB LEU 94 -2.649 -5.813 -5.813 672 2HB LEU 94 1HB LEU 94 -2.558 -4.126 -4.126 673 HG LEU 94 HG LEU 94 -4.421 -6.275 -6.275 674 1HD1 LEU 94 3HD1 LEU 94 -4.805 -3.422 -3.422 675 2HD1 LEU 94 2HD1 LEU 94 -6.098 -4.524 -4.524 676 3HD1 LEU 94 1HD1 LEU 94 -5.120 -4.874 -4.874 677 1HD2 LEU 94 1HD2 LEU 94 -3.304 -5.122 -5.122 678 2HD2 LEU 94 3HD2 LEU 94 -5.047 -4.840 -4.840 679 3HD2 LEU 94 2HD2 LEU 94 -3.923 -3.590 -3.590 680 H ASP 95 H ASP 95 0.400 -6.405 -6.405 681 HA ASP 95 HA ASP 95 1.871 -6.406 -6.406 682 1HB ASP 95 2HB ASP 95 2.446 -8.449 -8.449 683 2HB ASP 95 1HB ASP 95 1.602 -8.131 -8.131 684 H GLY 96 H GLY 96 3.818 -5.378 -5.378 685 1HA GLY 96 2HA GLY 96 5.784 -4.149 -4.149 686 2HA GLY 96 1HA GLY 96 4.822 -3.661 -3.661 687 H ILE 97 H ILE 97 3.296 -3.720 -3.720 688 HA ILE 97 HA ILE 97 2.638 -0.927 -0.927 689 HB ILE 97 HB ILE 97 1.036 -2.557 -2.557 690 1HG1 ILE 97 2HG1 ILE 97 1.301 -0.154 -0.154 691 2HG1 ILE 97 1HG1 ILE 97 0.098 -1.296 -1.296 692 1HG2 ILE 97 3HG2 ILE 97 3.175 -3.200 -3.200 693 2HG2 ILE 97 2HG2 ILE 97 1.487 -3.579 -3.579 694 3HG2 ILE 97 1HG2 ILE 97 2.291 -4.288 -4.288 695 1HD1 ILE 97 3HD1 ILE 97 1.795 -2.070 -2.070 696 2HD1 ILE 97 2HD1 ILE 97 2.827 -0.736 -0.736 697 3HD1 ILE 97 1HD1 ILE 97 1.255 -0.408 -0.408 698 H VAL 98 H VAL 98 3.837 0.687 0.687 699 HA VAL 98 HA VAL 98 6.010 0.409 0.409 700 HB VAL 98 HB VAL 98 4.809 2.859 2.859 701 1HG1 VAL 98 2HG1 VAL 98 6.463 3.125 3.125 702 2HG1 VAL 98 1HG1 VAL 98 7.659 2.339 2.339 703 3HG1 VAL 98 3HG1 VAL 98 6.947 3.876 3.876 704 1HG2 VAL 98 2HG2 VAL 98 5.400 1.074 1.074 705 2HG2 VAL 98 1HG2 VAL 98 6.432 2.496 2.496 706 3HG2 VAL 98 3HG2 VAL 98 7.039 1.049 1.049 707 H VAL 99 H VAL 99 5.660 0.753 0.753 708 HA VAL 99 HA VAL 99 3.061 2.004 2.004 709 HB VAL 99 HB VAL 99 5.013 0.787 0.787 710 1HG1 VAL 99 3HG1 VAL 99 2.141 1.369 1.369 711 2HG1 VAL 99 2HG1 VAL 99 2.514 -0.218 -0.218 712 3HG1 VAL 99 1HG1 VAL 99 3.210 1.244 1.244 713 1HG2 VAL 99 3HG2 VAL 99 4.013 -0.603 -0.603 714 2HG2 VAL 99 2HG2 VAL 99 5.071 -1.167 -1.167 715 3HG2 VAL 99 1HG2 VAL 99 3.323 -1.281 -1.281 716 H ASP 100 H ASP 100 3.498 2.992 2.992 717 HA ASP 100 HA ASP 100 6.025 4.362 4.362 718 1HB ASP 100 2HB ASP 100 3.535 5.822 5.822 719 2HB ASP 100 1HB ASP 100 4.870 6.648 6.648 720 H VAL 101 H VAL 101 6.317 4.891 4.891 721 HA VAL 101 HA VAL 101 4.050 4.299 4.299 722 HB VAL 101 HB VAL 101 7.001 4.842 4.842 723 1HG1 VAL 101 1HG1 VAL 101 5.171 5.466 5.466 724 2HG1 VAL 101 3HG1 VAL 101 5.293 3.733 3.733 725 3HG1 VAL 101 2HG1 VAL 101 6.728 4.754 4.754 726 1HG2 VAL 101 2HG2 VAL 101 6.091 2.627 2.627 727 2HG2 VAL 101 1HG2 VAL 101 7.196 2.505 2.505 728 3HG2 VAL 101 3HG2 VAL 101 5.459 2.310 2.310 729 HA PRO 102 HA PRO 102 3.214 8.580 8.580 730 1HB PRO 102 2HB PRO 102 1.412 8.410 8.410 731 2HB PRO 102 1HB PRO 102 1.061 7.901 7.901 732 1HG PRO 102 2HG PRO 102 1.675 6.271 6.271 733 2HG PRO 102 1HG PRO 102 0.629 5.905 5.905 734 1HD PRO 102 2HD PRO 102 3.205 4.937 4.937 735 2HD PRO 102 1HD PRO 102 2.314 4.927 4.927 736 H ASP 103 H ASP 103 4.904 9.815 9.815 737 HA ASP 103 HA ASP 103 5.334 9.379 9.379 738 1HB ASP 103 2HB ASP 103 7.057 10.351 10.351 739 2HB ASP 103 1HB ASP 103 7.496 10.679 10.679 740 H ARG 104 H ARG 104 3.386 10.780 10.780 741 HA ARG 104 HA ARG 104 3.949 13.671 13.671 742 1HB ARG 104 2HB ARG 104 1.265 13.068 13.068 743 2HB ARG 104 1HB ARG 104 1.759 13.907 13.907 744 1HG ARG 104 2HG ARG 104 0.869 12.118 12.118 745 2HG ARG 104 1HG ARG 104 2.356 11.292 11.292 746 1HD ARG 104 2HD ARG 104 -0.316 11.194 11.194 747 2HD ARG 104 1HD ARG 104 0.645 9.842 9.842 748 HE ARG 104 HE ARG 104 1.926 11.501 11.501 749 1HH1 ARG 104 1HH1 ARG 104 1.575 8.435 8.435 750 2HH1 ARG 104 2HH1 ARG 104 1.463 7.624 7.624 751 1HH2 ARG 104 1HH2 ARG 104 1.206 10.553 10.553 752 2HH2 ARG 104 2HH2 ARG 104 1.254 8.824 8.824 753 H GLN 105 H GLN 105 5.145 14.257 14.257 754 HA GLN 105 HA GLN 105 3.864 13.722 13.722 755 1HB GLN 105 2HB GLN 105 6.170 12.708 12.708 756 2HB GLN 105 1HB GLN 105 6.781 14.331 14.331 757 1HG GLN 105 2HG GLN 105 5.666 14.168 14.168 758 2HG GLN 105 1HG GLN 105 5.397 12.458 12.458 759 1HE2 GLN 105 1HE2 GLN 105 8.045 12.460 12.460 760 2HE2 GLN 105 2HE2 GLN 105 9.240 12.368 12.368 761 H TRP 106 H TRP 106 3.610 16.049 16.049 762 HA TRP 106 HA TRP 106 4.969 18.357 18.357 763 1HB TRP 106 2HB TRP 106 2.612 17.653 17.653 764 2HB TRP 106 1HB TRP 106 2.522 19.249 19.249 765 HD1 TRP 106 HD TRP 106 3.650 21.104 21.104 766 HE1 TRP 106 1HE TRP 106 5.490 21.246 21.246 767 HE3 TRP 106 3HE TRP 106 4.993 16.183 16.183 768 HZ2 TRP 106 2HZ TRP 106 7.295 19.502 19.502 769 HZ3 TRP 106 3HZ TRP 106 6.774 15.450 15.450 770 HH2 TRP 106 HH TRP 106 7.925 17.102 17.102 Start of MODEL 9 1 1H SER 1 3HT SER 1 3.104 -10.542 -10.542 2 2H SER 1 2HT SER 1 2.134 -11.009 -11.009 3 3H SER 1 1HT SER 1 3.798 -11.349 -11.349 4 HA SER 1 HA SER 1 3.376 -9.470 -9.470 5 1HB SER 1 2HB SER 1 1.525 -8.304 -8.304 6 2HB SER 1 1HB SER 1 1.591 -8.925 -8.925 7 HG SER 1 HG SER 1 2.757 -7.242 -7.242 8 H LYS 2 H LYS 2 4.727 -7.516 -7.516 9 HA LYS 2 HA LYS 2 7.046 -7.819 -7.819 10 1HB LYS 2 2HB LYS 2 6.491 -6.954 -6.954 11 2HB LYS 2 1HB LYS 2 7.210 -5.600 -5.600 12 1HG LYS 2 2HG LYS 2 8.524 -8.179 -8.179 13 2HG LYS 2 1HG LYS 2 8.636 -7.657 -7.657 14 1HD LYS 2 2HD LYS 2 9.145 -5.318 -5.318 15 2HD LYS 2 1HD LYS 2 9.902 -6.521 -6.521 16 1HE LYS 2 2HE LYS 2 10.403 -6.870 -6.870 17 2HE LYS 2 1HE LYS 2 11.169 -5.459 -5.459 18 1HZ LYS 2 1HZ LYS 2 11.634 -7.196 -7.196 19 2HZ LYS 2 3HZ LYS 2 11.511 -8.309 -8.309 20 3HZ LYS 2 2HZ LYS 2 12.675 -7.072 -7.072 21 H VAL 3 H VAL 3 6.417 -6.864 -6.864 22 HA VAL 3 HA VAL 3 5.257 -4.124 -4.124 23 HB VAL 3 HB VAL 3 5.213 -6.292 -6.292 24 1HG1 VAL 3 3HG1 VAL 3 4.252 -3.420 -3.420 25 2HG1 VAL 3 2HG1 VAL 3 3.869 -4.672 -4.672 26 3HG1 VAL 3 1HG1 VAL 3 5.539 -4.143 -4.143 27 1HG2 VAL 3 1HG2 VAL 3 3.570 -5.597 -5.597 28 2HG2 VAL 3 3HG2 VAL 3 3.180 -6.723 -6.723 29 3HG2 VAL 3 2HG2 VAL 3 2.723 -5.024 -5.024 30 H VAL 4 H VAL 4 6.184 -2.455 -2.455 31 HA VAL 4 HA VAL 4 8.772 -2.991 -2.991 32 HB VAL 4 HB VAL 4 8.102 -1.115 -1.115 33 1HG1 VAL 4 3HG1 VAL 4 10.371 -0.786 -0.786 34 2HG1 VAL 4 2HG1 VAL 4 10.210 0.114 0.114 35 3HG1 VAL 4 1HG1 VAL 4 9.021 0.327 0.327 36 1HG2 VAL 4 2HG2 VAL 4 10.072 -3.268 -3.268 37 2HG2 VAL 4 1HG2 VAL 4 9.202 -2.923 -2.923 38 3HG2 VAL 4 3HG2 VAL 4 10.603 -1.950 -1.950 39 H TYR 5 H TYR 5 8.791 -2.096 -2.096 40 HA TYR 5 HA TYR 5 6.629 -0.190 -0.190 41 1HB TYR 5 2HB TYR 5 8.540 -1.831 -1.831 42 2HB TYR 5 1HB TYR 5 7.082 -1.010 -1.010 43 HD1 TYR 5 2HD TYR 5 4.929 -1.507 -1.507 44 HD2 TYR 5 1HD TYR 5 8.343 -4.127 -4.127 45 HE1 TYR 5 2HE TYR 5 3.534 -3.435 -3.435 46 HE2 TYR 5 1HE TYR 5 6.951 -5.958 -5.958 47 HH TYR 5 HH TYR 5 4.974 -6.646 -6.646 48 H VAL 6 H VAL 6 7.037 1.832 1.832 49 HA VAL 6 HA VAL 6 9.932 2.605 2.605 50 HB VAL 6 HB VAL 6 7.797 4.547 4.547 51 1HG1 VAL 6 1HG1 VAL 6 10.137 5.239 5.239 52 2HG1 VAL 6 3HG1 VAL 6 10.723 4.304 4.304 53 3HG1 VAL 6 2HG1 VAL 6 9.670 5.694 5.694 54 1HG2 VAL 6 2HG2 VAL 6 7.740 2.459 2.459 55 2HG2 VAL 6 1HG2 VAL 6 8.025 3.992 3.992 56 3HG2 VAL 6 3HG2 VAL 6 9.371 2.899 2.899 57 H SER 7 H SER 7 10.383 3.583 3.583 58 HA SER 7 HA SER 7 8.227 3.847 3.847 59 1HB SER 7 2HB SER 7 10.202 4.635 4.635 60 2HB SER 7 1HB SER 7 10.404 3.036 3.036 61 HG SER 7 HG SER 7 11.354 5.481 5.481 62 H HIS 8 H HIS 8 9.160 6.230 6.230 63 HA HIS 8 HA HIS 8 8.289 8.260 8.260 64 1HB HIS 8 2HB HIS 8 8.142 9.544 9.544 65 2HB HIS 8 1HB HIS 8 6.813 8.650 8.650 66 HD1 HIS 8 1HD HIS 8 5.759 7.234 7.234 67 HD2 HIS 8 2HD HIS 8 9.864 7.433 7.433 68 HE1 HIS 8 1HE HIS 8 6.237 5.759 5.759 69 H ASP 9 H ASP 9 11.016 7.062 7.062 70 HA ASP 9 HA ASP 9 12.463 9.668 9.668 71 1HB ASP 9 2HB ASP 9 14.171 8.362 8.362 72 2HB ASP 9 1HB ASP 9 12.592 8.164 8.164 73 H GLY 10 H GLY 10 11.700 7.274 7.274 74 1HA GLY 10 2HA GLY 10 12.678 7.437 7.437 75 2HA GLY 10 1HA GLY 10 14.248 7.682 7.682 76 H THR 11 H THR 11 13.493 5.489 5.489 77 HA THR 11 HA THR 11 14.879 3.343 3.343 78 HB THR 11 HB THR 11 13.428 3.996 3.996 79 HG1 THR 11 1HG THR 11 14.974 1.728 1.728 80 1HG2 THR 11 1HG2 THR 11 11.615 2.519 2.519 81 2HG2 THR 11 3HG2 THR 11 12.722 1.177 1.177 82 3HG2 THR 11 2HG2 THR 11 12.103 2.117 2.117 83 H ARG 12 H ARG 12 14.358 1.722 1.722 84 HA ARG 12 HA ARG 12 11.530 1.489 1.489 85 1HB ARG 12 2HB ARG 12 13.982 2.236 2.236 86 2HB ARG 12 1HB ARG 12 13.264 0.810 0.810 87 1HG ARG 12 2HG ARG 12 11.061 2.406 2.406 88 2HG ARG 12 1HG ARG 12 12.304 3.587 3.587 89 1HD ARG 12 2HD ARG 12 12.749 1.600 1.600 90 2HD ARG 12 1HD ARG 12 10.980 1.609 1.609 91 HE ARG 12 HE ARG 12 11.710 4.304 4.304 92 1HH1 ARG 12 1HH2 ARG 12 10.897 1.795 1.795 93 2HH1 ARG 12 2HH2 ARG 12 11.462 2.561 2.561 94 1HH2 ARG 12 1HH1 ARG 12 12.977 5.196 5.196 95 2HH2 ARG 12 2HH1 ARG 12 12.640 4.486 4.486 96 H ARG 13 H ARG 13 10.863 -0.627 -0.627 97 HA ARG 13 HA ARG 13 12.787 -2.875 -2.875 98 1HB ARG 13 2HB ARG 13 11.203 -2.118 -2.118 99 2HB ARG 13 1HB ARG 13 9.979 -2.995 -2.995 100 1HG ARG 13 2HG ARG 13 10.759 -4.932 -4.932 101 2HG ARG 13 1HG ARG 13 12.316 -4.615 -4.615 102 1HD ARG 13 2HD ARG 13 12.332 -4.958 -4.958 103 2HD ARG 13 1HD ARG 13 13.164 -3.514 -3.514 104 HE ARG 13 HE ARG 13 10.370 -2.956 -2.956 105 1HH1 ARG 13 1HH1 ARG 13 13.091 -3.921 -3.921 106 2HH1 ARG 13 2HH1 ARG 13 12.860 -2.732 -2.732 107 1HH2 ARG 13 1HH2 ARG 13 10.197 -1.195 -1.195 108 2HH2 ARG 13 2HH2 ARG 13 11.222 -1.188 -1.188 109 H GLU 14 H GLU 14 12.076 -4.860 -4.860 110 HA GLU 14 HA GLU 14 9.840 -4.429 -4.429 111 1HB GLU 14 2HB GLU 14 12.479 -5.826 -5.826 112 2HB GLU 14 1HB GLU 14 11.258 -5.355 -5.355 113 1HG GLU 14 2HG GLU 14 11.750 -2.957 -2.957 114 2HG GLU 14 1HG GLU 14 13.339 -3.717 -3.717 115 H LEU 15 H LEU 15 8.351 -6.111 -6.111 116 HA LEU 15 HA LEU 15 9.274 -8.712 -8.712 117 1HB LEU 15 2HB LEU 15 6.756 -7.082 -7.082 118 2HB LEU 15 1HB LEU 15 6.681 -8.819 -8.819 119 HG LEU 15 HG LEU 15 8.421 -6.892 -6.892 120 1HD1 LEU 15 3HD1 LEU 15 5.713 -7.958 -7.958 121 2HD1 LEU 15 2HD1 LEU 15 6.761 -8.366 -8.366 122 3HD1 LEU 15 1HD1 LEU 15 6.518 -6.683 -6.683 123 1HD2 LEU 15 1HD2 LEU 15 9.352 -9.196 -9.196 124 2HD2 LEU 15 3HD2 LEU 15 9.040 -8.747 -8.747 125 3HD2 LEU 15 2HD2 LEU 15 7.902 -9.809 -9.809 126 H ASP 16 H ASP 16 7.253 -10.288 -10.288 127 HA ASP 16 HA ASP 16 6.634 -10.162 -10.162 128 1HB ASP 16 2HB ASP 16 8.610 -11.668 -11.668 129 2HB ASP 16 1HB ASP 16 7.489 -12.629 -12.629 130 H VAL 17 H VAL 17 4.567 -9.364 -9.364 131 HA VAL 17 HA VAL 17 3.040 -11.285 -11.285 132 HB VAL 17 HB VAL 17 2.445 -8.468 -8.468 133 1HG1 VAL 17 2HG1 VAL 17 0.548 -10.003 -10.003 134 2HG1 VAL 17 1HG1 VAL 17 1.328 -9.859 -9.859 135 3HG1 VAL 17 3HG1 VAL 17 0.719 -8.421 -8.421 136 1HG2 VAL 17 3HG2 VAL 17 4.179 -9.551 -9.551 137 2HG2 VAL 17 2HG2 VAL 17 4.184 -7.957 -7.957 138 3HG2 VAL 17 1HG2 VAL 17 3.049 -8.315 -8.315 139 H ALA 18 H ALA 18 1.473 -12.545 -12.545 140 HA ALA 18 HA ALA 18 0.688 -12.071 -12.071 141 1HB ALA 18 1HB ALA 18 0.736 -14.523 -14.523 142 2HB ALA 18 3HB ALA 18 0.162 -14.524 -14.524 143 3HB ALA 18 2HB ALA 18 1.852 -14.155 -14.155 144 H ASP 19 H ASP 19 -1.515 -13.775 -13.775 145 HA ASP 19 HA ASP 19 -3.632 -12.080 -12.080 146 1HB ASP 19 2HB ASP 19 -4.946 -13.582 -13.582 147 2HB ASP 19 1HB ASP 19 -3.366 -13.764 -13.764 148 H GLY 20 H GLY 20 -4.450 -12.056 -12.056 149 1HA GLY 20 2HA GLY 20 -5.571 -13.319 -13.319 150 2HA GLY 20 1HA GLY 20 -4.313 -14.544 -14.544 151 H VAL 21 H VAL 21 -2.431 -12.011 -12.011 152 HA VAL 21 HA VAL 21 -2.054 -11.703 -11.703 153 HB VAL 21 HB VAL 21 -0.103 -11.171 -11.171 154 1HG1 VAL 21 3HG1 VAL 21 0.189 -11.477 -11.477 155 2HG1 VAL 21 2HG1 VAL 21 1.550 -11.396 -11.396 156 3HG1 VAL 21 1HG1 VAL 21 0.465 -10.016 -10.016 157 1HG2 VAL 21 2HG2 VAL 21 -0.963 -13.687 -13.687 158 2HG2 VAL 21 1HG2 VAL 21 -0.018 -13.432 -13.432 159 3HG2 VAL 21 3HG2 VAL 21 0.780 -13.416 -13.416 160 H SER 22 H SER 22 -1.155 -9.581 -9.581 161 HA SER 22 HA SER 22 -2.284 -7.315 -7.315 162 1HB SER 22 2HB SER 22 -2.027 -6.665 -6.665 163 2HB SER 22 1HB SER 22 -3.514 -6.881 -6.881 164 HG SER 22 HG SER 22 -3.636 -8.432 -8.432 165 H LEU 23 H LEU 23 -0.926 -5.326 -5.326 166 HA LEU 23 HA LEU 23 1.860 -5.645 -5.645 167 1HB LEU 23 2HB LEU 23 0.339 -3.266 -3.266 168 2HB LEU 23 1HB LEU 23 1.937 -3.212 -3.212 169 HG LEU 23 HG LEU 23 -0.691 -3.739 -3.739 170 1HD1 LEU 23 3HD1 LEU 23 0.504 -1.406 -1.406 171 2HD1 LEU 23 2HD1 LEU 23 1.478 -1.924 -1.924 172 3HD1 LEU 23 1HD1 LEU 23 -0.271 -1.768 -1.768 173 1HD2 LEU 23 3HD2 LEU 23 0.997 -5.436 -5.436 174 2HD2 LEU 23 2HD2 LEU 23 0.565 -4.320 -4.320 175 3HD2 LEU 23 1HD2 LEU 23 2.089 -4.119 -4.119 176 H MET 24 H MET 24 -0.224 -5.451 -5.451 177 HA MET 24 HA MET 24 1.791 -5.002 -5.002 178 1HB MET 24 2HB MET 24 -0.384 -4.464 -4.464 179 2HB MET 24 1HB MET 24 -1.065 -5.892 -5.892 180 1HG MET 24 2HG MET 24 -0.199 -7.310 -7.310 181 2HG MET 24 1HG MET 24 0.746 -5.982 -5.982 182 1HE MET 24 3HE MET 24 0.414 -4.963 -4.963 183 2HE MET 24 2HE MET 24 -1.046 -4.389 -4.389 184 3HE MET 24 1HE MET 24 -0.505 -6.052 -6.052 185 H GLN 25 H GLN 25 -0.203 -7.815 -7.815 186 HA GLN 25 HA GLN 25 0.924 -9.716 -9.716 187 1HB GLN 25 2HB GLN 25 -0.969 -9.789 -9.789 188 2HB GLN 25 1HB GLN 25 0.195 -9.944 -9.944 189 1HG GLN 25 2HG GLN 25 0.761 -12.123 -12.123 190 2HG GLN 25 1HG GLN 25 0.304 -11.890 -11.890 191 1HE2 GLN 25 1HE2 GLN 25 -2.058 -10.594 -10.594 192 2HE2 GLN 25 2HE2 GLN 25 -3.150 -11.890 -11.890 193 H ALA 26 H ALA 26 2.012 -9.763 -9.763 194 HA ALA 26 HA ALA 26 4.282 -11.330 -11.330 195 1HB ALA 26 2HB ALA 26 3.763 -8.871 -8.871 196 2HB ALA 26 1HB ALA 26 5.293 -9.777 -9.777 197 3HB ALA 26 3HB ALA 26 3.743 -10.572 -10.572 198 H ALA 27 H ALA 27 4.273 -7.771 -7.771 199 HA ALA 27 HA ALA 27 6.924 -7.368 -7.368 200 1HB ALA 27 1HB ALA 27 4.270 -5.981 -5.981 201 2HB ALA 27 3HB ALA 27 5.720 -5.266 -5.266 202 3HB ALA 27 2HB ALA 27 5.615 -5.540 -5.540 203 H VAL 28 H VAL 28 3.958 -7.313 -7.313 204 HA VAL 28 HA VAL 28 4.690 -7.230 -7.230 205 HB VAL 28 HB VAL 28 2.742 -8.622 -8.622 206 1HG1 VAL 28 1HG1 VAL 28 3.562 -9.813 -9.813 207 2HG1 VAL 28 3HG1 VAL 28 1.828 -9.639 -9.639 208 3HG1 VAL 28 2HG1 VAL 28 2.808 -10.582 -10.582 209 1HG2 VAL 28 2HG2 VAL 28 2.471 -6.398 -6.398 210 2HG2 VAL 28 1HG2 VAL 28 1.151 -7.551 -7.551 211 3HG2 VAL 28 3HG2 VAL 28 2.323 -7.288 -7.288 212 H SER 29 H SER 29 4.443 -10.401 -10.401 213 HA SER 29 HA SER 29 5.897 -11.983 -11.983 214 1HB SER 29 2HB SER 29 6.523 -12.691 -12.691 215 2HB SER 29 1HB SER 29 5.335 -13.444 -13.444 216 HG SER 29 HG SER 29 4.872 -12.050 -12.050 217 H ASN 30 H ASN 30 7.084 -10.348 -10.348 218 HA ASN 30 HA ASN 30 9.853 -10.930 -10.930 219 1HB ASN 30 2HB ASN 30 8.061 -9.082 -9.082 220 2HB ASN 30 1HB ASN 30 9.724 -8.521 -8.521 221 1HD2 ASN 30 2HD2 ASN 30 8.857 -11.514 -11.514 222 2HD2 ASN 30 1HD2 ASN 30 7.651 -10.691 -10.691 223 H GLY 31 H GLY 31 7.827 -9.033 -9.033 224 1HA GLY 31 2HA GLY 31 8.469 -7.816 -7.816 225 2HA GLY 31 1HA GLY 31 10.153 -7.914 -7.914 226 H ILE 32 H ILE 32 8.779 -6.981 -6.981 227 HA ILE 32 HA ILE 32 9.682 -4.367 -4.367 228 HB ILE 32 HB ILE 32 7.309 -5.814 -5.814 229 1HG1 ILE 32 2HG1 ILE 32 9.926 -4.872 -4.872 230 2HG1 ILE 32 1HG1 ILE 32 9.579 -6.521 -6.521 231 1HG2 ILE 32 3HG2 ILE 32 8.259 -3.005 -3.005 232 2HG2 ILE 32 2HG2 ILE 32 7.206 -3.935 -3.935 233 3HG2 ILE 32 1HG2 ILE 32 6.652 -3.488 -3.488 234 1HD1 ILE 32 1HD1 ILE 32 7.448 -5.642 -5.642 235 2HD1 ILE 32 3HD1 ILE 32 8.971 -5.324 -5.324 236 3HD1 ILE 32 2HD1 ILE 32 8.588 -6.957 -6.957 237 H TYR 33 H TYR 33 6.652 -5.562 -5.562 238 HA TYR 33 HA TYR 33 5.955 -2.793 -2.793 239 1HB TYR 33 2HB TYR 33 4.484 -5.392 -5.392 240 2HB TYR 33 1HB TYR 33 3.794 -4.070 -4.070 241 HD1 TYR 33 1HD TYR 33 3.635 -1.759 -1.759 242 HD2 TYR 33 2HD TYR 33 4.389 -5.398 -5.398 243 HE1 TYR 33 1HE TYR 33 2.902 -0.666 -0.666 244 HE2 TYR 33 2HE TYR 33 3.646 -4.345 -4.345 245 HH TYR 33 HH TYR 33 2.164 -2.400 -2.400 246 H ASP 34 H ASP 34 7.928 -3.391 -3.391 247 HA ASP 34 HA ASP 34 7.257 -5.085 -5.085 248 1HB ASP 34 2HB ASP 34 9.246 -4.079 -4.079 249 2HB ASP 34 1HB ASP 34 9.554 -4.295 -4.295 250 H ILE 35 H ILE 35 4.993 -3.626 -3.626 251 HA ILE 35 HA ILE 35 4.915 -1.339 -1.339 252 HB ILE 35 HB ILE 35 2.969 -0.698 -0.698 253 1HG1 ILE 35 2HG1 ILE 35 3.063 -3.569 -3.569 254 2HG1 ILE 35 1HG1 ILE 35 1.741 -2.739 -2.739 255 1HG2 ILE 35 1HG2 ILE 35 5.071 -1.933 -1.933 256 2HG2 ILE 35 3HG2 ILE 35 3.812 -0.834 -0.834 257 3HG2 ILE 35 2HG2 ILE 35 5.022 -0.271 -0.271 258 1HD1 ILE 35 1HD1 ILE 35 1.539 -1.232 -1.232 259 2HD1 ILE 35 3HD1 ILE 35 2.732 -2.241 -2.241 260 3HD1 ILE 35 2HD1 ILE 35 1.177 -2.924 -2.924 261 H VAL 36 H VAL 36 1.961 -1.714 -1.714 262 HA VAL 36 HA VAL 36 1.958 -3.773 -3.773 263 HB VAL 36 HB VAL 36 -0.189 -1.780 -1.780 264 1HG1 VAL 36 3HG1 VAL 36 0.492 -3.393 -3.393 265 2HG1 VAL 36 2HG1 VAL 36 -0.513 -1.948 -1.948 266 3HG1 VAL 36 1HG1 VAL 36 -1.039 -3.316 -3.316 267 1HG2 VAL 36 2HG2 VAL 36 2.471 -1.351 -1.351 268 2HG2 VAL 36 1HG2 VAL 36 1.358 -0.183 -0.183 269 3HG2 VAL 36 3HG2 VAL 36 1.150 -0.689 -0.689 270 H GLY 37 H GLY 37 -0.293 -4.975 -4.975 271 1HA GLY 37 2HA GLY 37 -1.020 -5.848 -5.848 272 2HA GLY 37 1HA GLY 37 -0.921 -6.971 -6.971 273 H ASP 38 H ASP 38 -2.784 -4.297 -4.297 274 HA ASP 38 HA ASP 38 -5.030 -5.032 -5.032 275 1HB ASP 38 2HB ASP 38 -3.734 -2.530 -2.530 276 2HB ASP 38 1HB ASP 38 -5.472 -2.467 -2.467 277 H CYS 39 H CYS 39 -4.058 -5.521 -5.521 278 HA CYS 39 HA CYS 39 -6.785 -5.057 -5.057 279 1HB CYS 39 2HB CYS 39 -5.428 -5.439 -5.439 280 2HB CYS 39 1HB CYS 39 -5.258 -3.898 -3.898 281 H GLY 40 H GLY 40 -4.093 -7.445 -7.445 282 1HA GLY 40 2HA GLY 40 -4.215 -9.739 -9.739 283 2HA GLY 40 1HA GLY 40 -5.569 -9.746 -9.746 284 H GLY 41 H GLY 41 -5.313 -7.970 -7.970 285 1HA GLY 41 2HA GLY 41 -6.501 -8.260 -8.260 286 2HA GLY 41 1HA GLY 41 -7.173 -9.763 -9.763 287 H SER 42 H SER 42 -7.239 -6.542 -6.542 288 HA SER 42 HA SER 42 -10.216 -6.558 -6.558 289 1HB SER 42 2HB SER 42 -9.494 -7.356 -7.356 290 2HB SER 42 1HB SER 42 -8.555 -5.883 -5.883 291 HG SER 42 HG SER 42 -10.471 -5.462 -5.462 292 H ALA 43 H ALA 43 -7.280 -4.612 -4.612 293 HA ALA 43 HA ALA 43 -6.842 -2.424 -2.424 294 1HB ALA 43 3HB ALA 43 -8.606 -3.284 -3.284 295 2HB ALA 43 2HB ALA 43 -9.712 -2.228 -2.228 296 3HB ALA 43 1HB ALA 43 -8.278 -1.555 -1.555 297 H SER 44 H SER 44 -7.111 -2.451 -2.451 298 HA SER 44 HA SER 44 -8.980 -0.195 -0.195 299 1HB SER 44 2HB SER 44 -8.820 -1.572 -1.572 300 2HB SER 44 1HB SER 44 -10.065 -1.873 -1.873 301 HG SER 44 HG SER 44 -9.123 -3.698 -3.698 302 H CYS 45 H CYS 45 -5.850 -0.929 -0.929 303 HA CYS 45 HA CYS 45 -4.890 0.522 0.522 304 1HB CYS 45 2HB CYS 45 -2.735 -0.705 -0.705 305 2HB CYS 45 1HB CYS 45 -3.346 -1.095 -1.095 306 H ALA 46 H ALA 46 -4.385 2.597 2.597 307 HA ALA 46 HA ALA 46 -3.853 3.680 3.680 308 1HB ALA 46 3HB ALA 46 -4.679 4.594 4.594 309 2HB ALA 46 2HB ALA 46 -3.062 5.276 5.276 310 3HB ALA 46 1HB ALA 46 -4.294 5.614 5.614 311 H THR 47 H THR 47 -1.997 1.810 1.810 312 HA THR 47 HA THR 47 0.558 3.236 3.236 313 HB THR 47 HB THR 47 -0.240 1.737 1.737 314 HG1 THR 47 1HG THR 47 1.810 1.716 1.716 315 1HG2 THR 47 1HG2 THR 47 -1.040 -0.016 -0.016 316 2HG2 THR 47 3HG2 THR 47 0.645 -0.535 -0.535 317 3HG2 THR 47 2HG2 THR 47 -0.280 -0.596 -0.596 318 H CYS 48 H CYS 48 -1.120 0.577 0.577 319 HA CYS 48 HA CYS 48 1.265 -0.016 -0.016 320 1HB CYS 48 2HB CYS 48 -1.283 -1.268 -1.268 321 2HB CYS 48 1HB CYS 48 0.254 -1.983 -1.983 322 H HIS 49 H HIS 49 -0.669 2.538 2.538 323 HA HIS 49 HA HIS 49 -1.959 2.753 2.753 324 1HB HIS 49 2HB HIS 49 -1.749 4.456 4.456 325 2HB HIS 49 1HB HIS 49 -0.199 4.909 4.909 326 HD1 HIS 49 1HD HIS 49 -1.398 7.283 7.283 327 HD2 HIS 49 2HD HIS 49 -2.887 3.986 3.986 328 HE1 HIS 49 1HE HIS 49 -2.762 8.191 8.191 329 H VAL 50 H VAL 50 -1.245 3.448 3.448 330 HA VAL 50 HA VAL 50 1.646 3.657 3.657 331 HB VAL 50 HB VAL 50 1.472 1.776 1.776 332 1HG1 VAL 50 1HG1 VAL 50 2.283 1.703 1.703 333 2HG1 VAL 50 3HG1 VAL 50 0.895 0.628 0.628 334 3HG1 VAL 50 2HG1 VAL 50 2.183 0.234 0.234 335 1HG2 VAL 50 2HG2 VAL 50 -1.070 1.867 1.867 336 2HG2 VAL 50 1HG2 VAL 50 -0.362 0.254 0.254 337 3HG2 VAL 50 3HG2 VAL 50 -0.983 1.019 1.019 338 H TYR 51 H TYR 51 2.044 4.271 4.271 339 HA TYR 51 HA TYR 51 -0.319 5.500 5.500 340 1HB TYR 51 2HB TYR 51 2.460 6.378 6.378 341 2HB TYR 51 1HB TYR 51 1.706 7.038 7.038 342 HD1 TYR 51 2HD TYR 51 -0.979 6.333 6.333 343 HD2 TYR 51 1HD TYR 51 2.312 9.086 9.086 344 HE1 TYR 51 2HE TYR 51 -2.231 8.023 8.023 345 HE2 TYR 51 1HE TYR 51 1.038 10.772 10.772 346 HH TYR 51 HH TYR 51 -1.365 11.269 11.269 347 H VAL 52 H VAL 52 -0.682 4.425 4.425 348 HA VAL 52 HA VAL 52 1.564 2.941 2.941 349 HB VAL 52 HB VAL 52 -1.416 2.957 2.957 350 1HG1 VAL 52 1HG1 VAL 52 0.339 2.050 2.050 351 2HG1 VAL 52 3HG1 VAL 52 0.518 0.720 0.720 352 3HG1 VAL 52 2HG1 VAL 52 -1.049 1.037 1.037 353 1HG2 VAL 52 1HG2 VAL 52 0.077 1.906 1.906 354 2HG2 VAL 52 3HG2 VAL 52 -1.658 1.815 1.815 355 3HG2 VAL 52 2HG2 VAL 52 -0.584 0.569 0.569 356 H ASN 53 H ASN 53 1.995 3.266 3.266 357 HA ASN 53 HA ASN 53 1.654 6.040 6.040 358 1HB ASN 53 2HB ASN 53 2.760 5.144 5.144 359 2HB ASN 53 1HB ASN 53 3.669 4.844 4.844 360 1HD2 ASN 53 2HD2 ASN 53 1.801 1.401 1.401 361 2HD2 ASN 53 1HD2 ASN 53 1.013 2.741 2.741 362 H GLU 54 H GLU 54 0.007 6.837 6.837 363 HA GLU 54 HA GLU 54 -2.474 5.787 5.787 364 1HB GLU 54 2HB GLU 54 -2.520 7.229 7.229 365 2HB GLU 54 1HB GLU 54 -1.934 8.030 8.030 366 1HG GLU 54 2HG GLU 54 0.241 8.119 8.119 367 2HG GLU 54 1HG GLU 54 0.086 6.636 6.636 368 H ALA 55 H ALA 55 0.368 4.825 4.825 369 HA ALA 55 HA ALA 55 -0.931 3.572 3.572 370 1HB ALA 55 3HB ALA 55 1.678 3.091 3.091 371 2HB ALA 55 2HB ALA 55 1.266 2.290 2.290 372 3HB ALA 55 1HB ALA 55 1.425 4.046 4.046 373 H PHE 56 H PHE 56 -0.523 2.490 2.490 374 HA PHE 56 HA PHE 56 -1.752 -0.131 -0.131 375 1HB PHE 56 2HB PHE 56 0.268 0.557 0.557 376 2HB PHE 56 1HB PHE 56 -0.454 -1.034 -1.034 377 HD1 PHE 56 1HD PHE 56 1.416 1.599 1.599 378 HD2 PHE 56 2HD PHE 56 0.546 -2.631 -2.631 379 HE1 PHE 56 1HE PHE 56 3.005 1.144 1.144 380 HE2 PHE 56 2HE PHE 56 2.138 -3.037 -3.037 381 HZ PHE 56 HZ PHE 56 3.367 -1.173 -1.173 382 H THR 57 H THR 57 -2.144 2.728 2.728 383 HA THR 57 HA THR 57 -3.820 1.539 1.539 384 HB THR 57 HB THR 57 -3.833 3.679 3.679 385 HG1 THR 57 1HG THR 57 -3.879 4.646 4.646 386 1HG2 THR 57 1HG2 THR 57 -1.435 3.075 3.075 387 2HG2 THR 57 3HG2 THR 57 -1.795 4.682 4.682 388 3HG2 THR 57 2HG2 THR 57 -1.699 4.417 4.417 389 H ASP 58 H ASP 58 -4.225 2.980 2.980 390 HA ASP 58 HA ASP 58 -7.112 3.329 3.329 391 1HB ASP 58 2HB ASP 58 -6.862 4.011 4.011 392 2HB ASP 58 1HB ASP 58 -5.375 4.521 4.521 393 H LYS 59 H LYS 59 -4.919 0.759 0.759 394 HA LYS 59 HA LYS 59 -6.934 -0.864 -0.864 395 1HB LYS 59 2HB LYS 59 -4.161 -1.439 -1.439 396 2HB LYS 59 1HB LYS 59 -5.060 -2.493 -2.493 397 1HG LYS 59 2HG LYS 59 -4.350 0.380 0.380 398 2HG LYS 59 1HG LYS 59 -3.389 -1.006 -1.006 399 1HD LYS 59 2HD LYS 59 -5.881 -1.789 -1.789 400 2HD LYS 59 1HD LYS 59 -5.995 -0.041 -0.041 401 1HE LYS 59 2HE LYS 59 -3.874 -1.869 -1.869 402 2HE LYS 59 1HE LYS 59 -5.140 -0.992 -0.992 403 1HZ LYS 59 2HZ LYS 59 -4.225 1.068 1.068 404 2HZ LYS 59 1HZ LYS 59 -2.870 0.138 0.138 405 3HZ LYS 59 3HZ LYS 59 -3.247 0.382 0.382 406 H VAL 60 H VAL 60 -5.129 -1.168 -1.168 407 HA VAL 60 HA VAL 60 -6.177 -3.425 -3.425 408 HB VAL 60 HB VAL 60 -6.034 -2.025 -2.025 409 1HG1 VAL 60 1HG1 VAL 60 -3.913 -2.496 -2.496 410 2HG1 VAL 60 3HG1 VAL 60 -3.506 -1.410 -1.410 411 3HG1 VAL 60 2HG1 VAL 60 -4.026 -3.060 -3.060 412 1HG2 VAL 60 3HG2 VAL 60 -6.676 0.105 0.105 413 2HG2 VAL 60 2HG2 VAL 60 -5.232 0.234 0.234 414 3HG2 VAL 60 1HG2 VAL 60 -5.078 0.087 0.087 415 HA PRO 61 HA PRO 61 -10.536 -2.963 -2.963 416 1HB PRO 61 2HB PRO 61 -10.948 -4.311 -4.311 417 2HB PRO 61 1HB PRO 61 -10.608 -5.117 -5.117 418 1HG PRO 61 2HG PRO 61 -8.750 -4.479 -4.479 419 2HG PRO 61 1HG PRO 61 -8.875 -5.960 -5.960 420 1HD PRO 61 2HD PRO 61 -6.957 -4.128 -4.128 421 2HD PRO 61 1HD PRO 61 -7.708 -5.054 -5.054 422 H ALA 62 H ALA 62 -12.175 -2.179 -2.179 423 HA ALA 62 HA ALA 62 -11.343 0.301 0.301 424 1HB ALA 62 1HB ALA 62 -13.517 -0.790 -0.790 425 2HB ALA 62 3HB ALA 62 -14.100 -0.618 -0.618 426 3HB ALA 62 2HB ALA 62 -13.486 0.791 0.791 427 H ALA 63 H ALA 63 -10.850 0.476 0.476 428 HA ALA 63 HA ALA 63 -10.981 -1.729 -1.729 429 1HB ALA 63 2HB ALA 63 -10.526 1.256 1.256 430 2HB ALA 63 1HB ALA 63 -10.262 0.090 0.090 431 3HB ALA 63 3HB ALA 63 -9.287 0.011 0.011 432 H ASN 64 H ASN 64 -12.145 -1.420 -1.420 433 HA ASN 64 HA ASN 64 -14.980 -0.724 -0.724 434 1HB ASN 64 2HB ASN 64 -15.292 -1.981 -1.981 435 2HB ASN 64 1HB ASN 64 -14.517 -2.921 -2.921 436 1HD2 ASN 64 2HD2 ASN 64 -12.302 -3.583 -3.583 437 2HD2 ASN 64 1HD2 ASN 64 -13.769 -4.118 -4.118 438 H GLU 65 H GLU 65 -15.830 -0.258 -0.258 439 HA GLU 65 HA GLU 65 -15.219 2.557 2.557 440 1HB GLU 65 2HB GLU 65 -16.954 2.428 2.428 441 2HB GLU 65 1HB GLU 65 -17.371 1.185 1.185 442 1HG GLU 65 2HG GLU 65 -17.555 -0.110 -0.110 443 2HG GLU 65 1HG GLU 65 -15.815 -0.282 -0.282 444 H ARG 66 H ARG 66 -13.989 -0.414 -0.414 445 HA ARG 66 HA ARG 66 -12.908 0.679 0.679 446 1HB ARG 66 2HB ARG 66 -12.943 -1.769 -1.769 447 2HB ARG 66 1HB ARG 66 -11.271 -1.423 -1.423 448 1HG ARG 66 2HG ARG 66 -12.182 -0.939 -0.939 449 2HG ARG 66 1HG ARG 66 -13.658 -1.738 -1.738 450 1HD ARG 66 2HD ARG 66 -10.874 -2.963 -2.963 451 2HD ARG 66 1HD ARG 66 -12.209 -3.390 -3.390 452 HE ARG 66 HE ARG 66 -12.313 -3.778 -3.778 453 1HH1 ARG 66 1HH2 ARG 66 -14.989 -3.955 -3.955 454 2HH1 ARG 66 2HH2 ARG 66 -15.203 -5.548 -5.548 455 1HH2 ARG 66 1HH1 ARG 66 -11.815 -6.091 -6.091 456 2HH2 ARG 66 2HH1 ARG 66 -13.406 -6.756 -6.756 457 H GLU 67 H GLU 67 -11.545 0.267 0.267 458 HA GLU 67 HA GLU 67 -8.927 1.323 1.323 459 1HB GLU 67 2HB GLU 67 -9.122 0.079 0.079 460 2HB GLU 67 1HB GLU 67 -10.663 0.813 0.813 461 1HG GLU 67 2HG GLU 67 -8.979 1.676 1.676 462 2HG GLU 67 1HG GLU 67 -9.419 2.975 2.975 463 H ILE 68 H ILE 68 -11.973 2.840 2.840 464 HA ILE 68 HA ILE 68 -10.944 5.424 5.424 465 HB ILE 68 HB ILE 68 -13.576 4.180 4.180 466 1HG1 ILE 68 2HG1 ILE 68 -14.164 4.855 4.855 467 2HG1 ILE 68 1HG1 ILE 68 -12.804 5.974 5.974 468 1HG2 ILE 68 1HG2 ILE 68 -13.514 6.381 6.381 469 2HG2 ILE 68 3HG2 ILE 68 -13.209 7.171 7.171 470 3HG2 ILE 68 2HG2 ILE 68 -14.728 6.316 6.316 471 1HD1 ILE 68 1HD1 ILE 68 -12.301 3.047 3.047 472 2HD1 ILE 68 3HD1 ILE 68 -12.609 3.636 3.636 473 3HD1 ILE 68 2HD1 ILE 68 -11.236 4.256 4.256 474 H GLY 69 H GLY 69 -11.789 3.901 3.901 475 1HA GLY 69 2HA GLY 69 -11.640 6.452 6.452 476 2HA GLY 69 1HA GLY 69 -11.891 4.879 4.879 477 H MET 70 H MET 70 -9.780 3.405 3.405 478 HA MET 70 HA MET 70 -7.698 4.449 4.449 479 1HB MET 70 2HB MET 70 -7.048 2.274 2.274 480 2HB MET 70 1HB MET 70 -8.194 2.153 2.153 481 1HG MET 70 2HG MET 70 -5.694 3.636 3.636 482 2HG MET 70 1HG MET 70 -5.500 1.953 1.953 483 1HE MET 70 2HE MET 70 -7.537 0.499 0.499 484 2HE MET 70 1HE MET 70 -8.776 0.951 0.951 485 3HE MET 70 3HE MET 70 -7.393 -0.042 -0.042 486 H LEU 71 H LEU 71 -8.033 4.315 4.315 487 HA LEU 71 HA LEU 71 -5.585 5.382 5.382 488 1HB LEU 71 2HB LEU 71 -7.572 4.212 4.212 489 2HB LEU 71 1HB LEU 71 -8.224 5.842 5.842 490 HG LEU 71 HG LEU 71 -5.774 4.578 4.578 491 1HD1 LEU 71 2HD1 LEU 71 -8.320 5.658 5.658 492 2HD1 LEU 71 1HD1 LEU 71 -6.986 6.474 6.474 493 3HD1 LEU 71 3HD1 LEU 71 -7.142 4.718 4.718 494 1HD2 LEU 71 3HD2 LEU 71 -6.178 7.535 7.535 495 2HD2 LEU 71 2HD2 LEU 71 -4.797 6.541 6.541 496 3HD2 LEU 71 1HD2 LEU 71 -5.081 6.908 6.908 497 H GLU 72 H GLU 72 -8.436 6.935 6.935 498 HA GLU 72 HA GLU 72 -7.564 9.657 9.657 499 1HB GLU 72 2HB GLU 72 -9.845 9.718 9.718 500 2HB GLU 72 1HB GLU 72 -9.956 8.251 8.251 501 1HG GLU 72 2HG GLU 72 -10.015 9.399 9.399 502 2HG GLU 72 1HG GLU 72 -9.032 10.736 10.736 503 H CYS 73 H CYS 73 -7.736 7.538 7.538 504 HA CYS 73 HA CYS 73 -7.142 9.320 9.320 505 1HB CYS 73 2HB CYS 73 -6.972 6.502 6.502 506 2HB CYS 73 1HB CYS 73 -5.539 6.987 6.987 507 HG CYS 73 HG CYS 73 -6.943 7.196 7.196 508 H VAL 74 H VAL 74 -5.065 8.060 8.060 509 HA VAL 74 HA VAL 74 -2.654 9.351 9.351 510 HB VAL 74 HB VAL 74 -1.657 8.346 8.346 511 1HG1 VAL 74 1HG1 VAL 74 -2.826 6.980 6.980 512 2HG1 VAL 74 3HG1 VAL 74 -2.611 5.911 5.911 513 3HG1 VAL 74 2HG1 VAL 74 -1.231 6.788 6.788 514 1HG2 VAL 74 2HG2 VAL 74 -3.996 8.393 8.393 515 2HG2 VAL 74 1HG2 VAL 74 -2.972 6.985 6.985 516 3HG2 VAL 74 3HG2 VAL 74 -4.290 6.895 6.895 517 H THR 75 H THR 75 -4.122 11.425 11.425 518 HA THR 75 HA THR 75 -4.813 12.654 12.654 519 HB THR 75 HB THR 75 -5.221 13.564 13.564 520 HG1 THR 75 1HG THR 75 -5.248 15.388 15.388 521 1HG2 THR 75 2HG2 THR 75 -2.440 13.014 13.014 522 2HG2 THR 75 1HG2 THR 75 -2.681 14.741 14.741 523 3HG2 THR 75 3HG2 THR 75 -3.585 13.564 13.564 524 H ALA 76 H ALA 76 -3.195 11.936 11.936 525 HA ALA 76 HA ALA 76 -0.732 13.649 13.649 526 1HB ALA 76 3HB ALA 76 -1.099 10.745 10.745 527 2HB ALA 76 2HB ALA 76 -0.153 11.360 11.360 528 3HB ALA 76 1HB ALA 76 0.373 11.666 11.666 529 H GLU 77 H GLU 77 -2.534 14.936 14.936 530 HA GLU 77 HA GLU 77 -3.605 15.539 15.539 531 1HB GLU 77 2HB GLU 77 -1.939 16.193 16.193 532 2HB GLU 77 1HB GLU 77 -0.987 15.935 15.935 533 1HG GLU 77 2HG GLU 77 0.276 14.484 14.484 534 2HG GLU 77 1HG GLU 77 -1.118 13.418 13.418 535 H LEU 78 H LEU 78 -4.383 13.057 13.057 536 HA LEU 78 HA LEU 78 -4.286 10.736 10.736 537 1HB LEU 78 2HB LEU 78 -6.125 11.537 11.537 538 2HB LEU 78 1HB LEU 78 -6.686 12.571 12.571 539 HG LEU 78 HG LEU 78 -7.346 10.714 10.714 540 1HD1 LEU 78 3HD1 LEU 78 -5.371 9.277 9.277 541 2HD1 LEU 78 2HD1 LEU 78 -6.774 8.344 8.344 542 3HD1 LEU 78 1HD1 LEU 78 -5.721 9.098 9.098 543 1HD2 LEU 78 2HD2 LEU 78 -7.890 9.984 9.984 544 2HD2 LEU 78 1HD2 LEU 78 -8.839 11.112 11.112 545 3HD2 LEU 78 3HD2 LEU 78 -8.804 9.400 9.400 546 H LYS 79 H LYS 79 -4.234 9.894 9.894 547 HA LYS 79 HA LYS 79 -4.721 11.810 11.810 548 1HB LYS 79 2HB LYS 79 -3.261 9.180 9.180 549 2HB LYS 79 1HB LYS 79 -3.027 10.641 10.641 550 1HG LYS 79 2HG LYS 79 -2.263 11.760 11.760 551 2HG LYS 79 1HG LYS 79 -2.166 10.135 10.135 552 1HD LYS 79 2HD LYS 79 -0.156 9.881 9.881 553 2HD LYS 79 1HD LYS 79 -0.902 10.065 10.065 554 1HE LYS 79 2HE LYS 79 -0.832 12.608 12.608 555 2HE LYS 79 1HE LYS 79 0.367 12.166 12.166 556 1HZ LYS 79 2HZ LYS 79 1.256 10.690 10.690 557 2HZ LYS 79 1HZ LYS 79 0.518 11.897 11.897 558 3HZ LYS 79 3HZ LYS 79 1.734 12.312 12.312 559 HA PRO 80 HA PRO 80 -8.021 9.330 9.330 560 1HB PRO 80 2HB PRO 80 -7.452 9.085 9.085 561 2HB PRO 80 1HB PRO 80 -8.061 10.589 10.589 562 1HG PRO 80 2HG PRO 80 -5.270 9.823 9.823 563 2HG PRO 80 1HG PRO 80 -6.102 11.373 11.373 564 1HD PRO 80 2HD PRO 80 -4.349 10.929 10.929 565 2HD PRO 80 1HD PRO 80 -5.752 12.005 12.005 566 H ASN 81 H ASN 81 -4.749 8.358 8.358 567 HA ASN 81 HA ASN 81 -5.577 5.539 5.539 568 1HB ASN 81 2HB ASN 81 -3.118 5.352 5.352 569 2HB ASN 81 1HB ASN 81 -4.024 6.471 6.471 570 1HD2 ASN 81 2HD2 ASN 81 -0.810 7.909 7.909 571 2HD2 ASN 81 1HD2 ASN 81 -1.076 6.307 6.307 572 H SER 82 H SER 82 -4.438 7.563 7.563 573 HA SER 82 HA SER 82 -2.682 5.989 5.989 574 1HB SER 82 2HB SER 82 -5.128 7.519 7.519 575 2HB SER 82 1HB SER 82 -3.743 7.106 7.106 576 HG SER 82 HG SER 82 -2.640 8.235 8.235 577 H ARG 83 H ARG 83 -3.013 4.366 4.366 578 HA ARG 83 HA ARG 83 -5.576 3.229 3.229 579 1HB ARG 83 2HB ARG 83 -4.414 2.516 2.516 580 2HB ARG 83 1HB ARG 83 -4.328 1.101 1.101 581 1HG ARG 83 2HG ARG 83 -6.560 0.783 0.783 582 2HG ARG 83 1HG ARG 83 -6.891 2.496 2.496 583 1HD ARG 83 2HD ARG 83 -7.664 2.378 2.378 584 2HD ARG 83 1HD ARG 83 -5.946 2.561 2.561 585 HE ARG 83 HE ARG 83 -5.877 -0.015 -0.015 586 1HH1 ARG 83 1HH2 ARG 83 -8.222 1.950 1.950 587 2HH1 ARG 83 2HH2 ARG 83 -9.182 0.634 0.634 588 1HH2 ARG 83 1HH1 ARG 83 -7.320 -1.798 -1.798 589 2HH2 ARG 83 2HH1 ARG 83 -8.671 -1.490 -1.490 590 H LEU 84 H LEU 84 -5.333 1.350 1.350 591 HA LEU 84 HA LEU 84 -2.891 1.376 1.376 592 1HB LEU 84 2HB LEU 84 -5.617 0.562 0.562 593 2HB LEU 84 1HB LEU 84 -4.613 -0.866 -0.866 594 HG LEU 84 HG LEU 84 -4.465 1.739 1.739 595 1HD1 LEU 84 3HD1 LEU 84 -5.879 -0.711 -0.711 596 2HD1 LEU 84 2HD1 LEU 84 -4.593 -0.670 -0.670 597 3HD1 LEU 84 1HD1 LEU 84 -5.769 0.619 0.619 598 1HD2 LEU 84 1HD2 LEU 84 -2.336 0.111 0.111 599 2HD2 LEU 84 3HD2 LEU 84 -2.406 1.192 1.192 600 3HD2 LEU 84 2HD2 LEU 84 -2.839 -0.507 -0.507 601 H SER 85 H SER 85 -1.250 -0.187 -0.187 602 HA SER 85 HA SER 85 -0.526 -1.690 -1.690 603 1HB SER 85 2HB SER 85 0.927 -2.803 -2.803 604 2HB SER 85 1HB SER 85 0.606 -1.291 -1.291 605 HG SER 85 HG SER 85 -1.273 -2.691 -2.691 606 H CYS 86 H CYS 86 -2.950 -2.245 -2.245 607 HA CYS 86 HA CYS 86 -3.549 -5.034 -5.034 608 1HB CYS 86 2HB CYS 86 -5.460 -4.257 -4.257 609 2HB CYS 86 1HB CYS 86 -3.912 -4.965 -4.965 610 H GLN 87 H GLN 87 -4.175 -2.772 -2.772 611 HA GLN 87 HA GLN 87 -7.112 -3.291 -3.291 612 1HB GLN 87 2HB GLN 87 -6.456 -0.976 -0.976 613 2HB GLN 87 1HB GLN 87 -5.692 -0.781 -0.781 614 1HG GLN 87 2HG GLN 87 -8.025 0.114 0.114 615 2HG GLN 87 1HG GLN 87 -7.817 -1.177 -1.177 616 1HE2 GLN 87 2HE2 GLN 87 -9.411 -2.729 -2.729 617 2HE2 GLN 87 1HE2 GLN 87 -7.863 -2.030 -2.030 618 H ILE 88 H ILE 88 -4.233 -2.662 -2.662 619 HA ILE 88 HA ILE 88 -5.746 -3.338 -3.338 620 HB ILE 88 HB ILE 88 -2.875 -3.002 -3.002 621 1HG1 ILE 88 2HG1 ILE 88 -4.419 -0.840 -0.840 622 2HG1 ILE 88 1HG1 ILE 88 -2.904 -1.596 -1.596 623 1HG2 ILE 88 2HG2 ILE 88 -4.877 -2.741 -2.741 624 2HG2 ILE 88 1HG2 ILE 88 -5.050 -1.135 -1.135 625 3HG2 ILE 88 3HG2 ILE 88 -3.554 -1.579 -1.579 626 1HD1 ILE 88 2HD1 ILE 88 -3.225 0.036 0.036 627 2HD1 ILE 88 1HD1 ILE 88 -2.600 0.684 0.684 628 3HD1 ILE 88 3HD1 ILE 88 -1.719 -0.590 -0.590 629 H ILE 89 H ILE 89 -5.407 -5.150 -5.150 630 HA ILE 89 HA ILE 89 -3.754 -7.319 -7.319 631 HB ILE 89 HB ILE 89 -6.275 -7.218 -7.218 632 1HG1 ILE 89 2HG1 ILE 89 -6.705 -6.998 -6.998 633 2HG1 ILE 89 1HG1 ILE 89 -7.075 -8.672 -8.672 634 1HG2 ILE 89 3HG2 ILE 89 -4.807 -8.977 -8.977 635 2HG2 ILE 89 2HG2 ILE 89 -4.620 -9.651 -9.651 636 3HG2 ILE 89 1HG2 ILE 89 -6.197 -9.678 -9.678 637 1HD1 ILE 89 1HD1 ILE 89 -4.675 -9.224 -9.224 638 2HD1 ILE 89 3HD1 ILE 89 -4.608 -7.604 -7.604 639 3HD1 ILE 89 2HD1 ILE 89 -5.772 -8.780 -8.780 640 H MET 90 H MET 90 -2.835 -8.841 -8.841 641 HA MET 90 HA MET 90 -1.888 -7.158 -7.158 642 1HB MET 90 2HB MET 90 -0.471 -8.385 -8.385 643 2HB MET 90 1HB MET 90 -0.544 -9.697 -9.697 644 1HG MET 90 2HG MET 90 1.422 -8.402 -8.402 645 2HG MET 90 1HG MET 90 0.220 -8.039 -8.039 646 1HE MET 90 2HE MET 90 0.833 -6.171 -6.171 647 2HE MET 90 1HE MET 90 -0.751 -5.548 -5.548 648 3HE MET 90 3HE MET 90 0.688 -4.537 -4.537 649 H THR 91 H THR 91 -3.081 -7.628 -7.628 650 HA THR 91 HA THR 91 -4.119 -10.364 -10.364 651 HB THR 91 HB THR 91 -4.831 -8.904 -8.904 652 HG1 THR 91 1HG THR 91 -4.786 -6.964 -6.964 653 1HG2 THR 91 3HG2 THR 91 -6.041 -8.690 -8.690 654 2HG2 THR 91 2HG2 THR 91 -6.873 -8.302 -8.302 655 3HG2 THR 91 1HG2 THR 91 -6.372 -9.961 -9.961 656 HA PRO 92 HA PRO 92 -0.985 -11.561 -11.561 657 1HB PRO 92 2HB PRO 92 -2.400 -12.845 -12.845 658 2HB PRO 92 1HB PRO 92 -2.152 -13.525 -13.525 659 1HG PRO 92 2HG PRO 92 -4.539 -12.162 -12.162 660 2HG PRO 92 1HG PRO 92 -4.442 -13.538 -13.538 661 1HD PRO 92 2HD PRO 92 -5.011 -10.978 -10.978 662 2HD PRO 92 1HD PRO 92 -4.275 -12.201 -12.201 663 H GLU 93 H GLU 93 -3.305 -9.258 -9.258 664 HA GLU 93 HA GLU 93 -1.964 -8.762 -8.762 665 1HB GLU 93 2HB GLU 93 -4.089 -7.349 -7.349 666 2HB GLU 93 1HB GLU 93 -4.313 -9.096 -9.096 667 1HG GLU 93 2HG GLU 93 -5.356 -9.012 -9.012 668 2HG GLU 93 1HG GLU 93 -4.404 -7.631 -7.631 669 H LEU 94 H LEU 94 -2.736 -7.361 -7.361 670 HA LEU 94 HA LEU 94 -1.679 -4.700 -4.700 671 1HB LEU 94 2HB LEU 94 -2.658 -5.709 -5.709 672 2HB LEU 94 1HB LEU 94 -2.571 -4.041 -4.041 673 HG LEU 94 HG LEU 94 -4.449 -6.219 -6.219 674 1HD1 LEU 94 1HD1 LEU 94 -4.703 -3.408 -3.408 675 2HD1 LEU 94 3HD1 LEU 94 -6.060 -4.261 -4.261 676 3HD1 LEU 94 2HD1 LEU 94 -5.299 -4.901 -4.901 677 1HD2 LEU 94 3HD2 LEU 94 -3.401 -5.178 -5.178 678 2HD2 LEU 94 2HD2 LEU 94 -5.118 -4.779 -4.779 679 3HD2 LEU 94 1HD2 LEU 94 -3.896 -3.591 -3.591 680 H ASP 95 H ASP 95 0.330 -6.407 -6.407 681 HA ASP 95 HA ASP 95 1.819 -6.530 -6.530 682 1HB ASP 95 2HB ASP 95 3.271 -8.034 -8.034 683 2HB ASP 95 1HB ASP 95 1.601 -8.568 -8.568 684 H GLY 96 H GLY 96 3.892 -5.665 -5.665 685 1HA GLY 96 2HA GLY 96 5.848 -4.425 -4.425 686 2HA GLY 96 1HA GLY 96 4.948 -3.960 -3.960 687 H ILE 97 H ILE 97 3.644 -3.806 -3.806 688 HA ILE 97 HA ILE 97 2.914 -1.014 -1.014 689 HB ILE 97 HB ILE 97 1.320 -2.487 -2.487 690 1HG1 ILE 97 2HG1 ILE 97 2.386 -0.980 -0.980 691 2HG1 ILE 97 1HG1 ILE 97 1.729 -0.109 -0.109 692 1HG2 ILE 97 1HG2 ILE 97 3.644 -3.201 -3.201 693 2HG2 ILE 97 3HG2 ILE 97 1.996 -3.435 -3.435 694 3HG2 ILE 97 2HG2 ILE 97 2.543 -4.266 -4.266 695 1HD1 ILE 97 1HD1 ILE 97 -0.024 -2.282 -2.282 696 2HD1 ILE 97 3HD1 ILE 97 0.285 -1.304 -1.304 697 3HD1 ILE 97 2HD1 ILE 97 -0.365 -0.553 -0.553 698 H VAL 98 H VAL 98 3.326 0.699 0.699 699 HA VAL 98 HA VAL 98 5.918 0.445 0.445 700 HB VAL 98 HB VAL 98 4.678 2.898 2.898 701 1HG1 VAL 98 2HG1 VAL 98 6.533 2.892 2.892 702 2HG1 VAL 98 1HG1 VAL 98 7.599 2.513 2.513 703 3HG1 VAL 98 3HG1 VAL 98 6.649 3.999 3.999 704 1HG2 VAL 98 1HG2 VAL 98 5.205 1.121 1.121 705 2HG2 VAL 98 3HG2 VAL 98 6.236 2.541 2.541 706 3HG2 VAL 98 2HG2 VAL 98 6.866 1.087 1.087 707 H VAL 99 H VAL 99 5.622 0.724 0.724 708 HA VAL 99 HA VAL 99 3.076 2.013 2.013 709 HB VAL 99 HB VAL 99 5.011 0.732 0.732 710 1HG1 VAL 99 2HG1 VAL 99 2.154 1.344 1.344 711 2HG1 VAL 99 1HG1 VAL 99 2.488 -0.275 -0.275 712 3HG1 VAL 99 3HG1 VAL 99 3.196 1.141 1.141 713 1HG2 VAL 99 1HG2 VAL 99 3.895 -0.615 -0.615 714 2HG2 VAL 99 3HG2 VAL 99 5.136 -1.134 -1.134 715 3HG2 VAL 99 2HG2 VAL 99 3.432 -1.373 -1.373 716 H ASP 100 H ASP 100 3.524 2.954 2.954 717 HA ASP 100 HA ASP 100 6.074 4.265 4.265 718 1HB ASP 100 2HB ASP 100 3.658 5.747 5.747 719 2HB ASP 100 1HB ASP 100 4.899 6.589 6.589 720 H VAL 101 H VAL 101 6.245 5.073 5.073 721 HA VAL 101 HA VAL 101 3.907 4.361 4.361 722 HB VAL 101 HB VAL 101 6.826 4.948 4.948 723 1HG1 VAL 101 2HG1 VAL 101 5.039 5.608 5.608 724 2HG1 VAL 101 1HG1 VAL 101 4.858 3.867 3.867 725 3HG1 VAL 101 3HG1 VAL 101 6.420 4.634 4.634 726 1HG2 VAL 101 2HG2 VAL 101 6.156 2.744 2.744 727 2HG2 VAL 101 1HG2 VAL 101 6.984 2.582 2.582 728 3HG2 VAL 101 3HG2 VAL 101 5.231 2.387 2.387 729 HA PRO 102 HA PRO 102 3.128 8.770 8.770 730 1HB PRO 102 2HB PRO 102 0.801 8.647 8.647 731 2HB PRO 102 1HB PRO 102 0.896 8.243 8.243 732 1HG PRO 102 2HG PRO 102 0.897 6.423 6.423 733 2HG PRO 102 1HG PRO 102 0.031 6.269 6.269 734 1HD PRO 102 2HD PRO 102 2.291 4.900 4.900 735 2HD PRO 102 1HD PRO 102 1.893 5.498 5.498 736 H ASP 103 H ASP 103 3.864 10.308 10.308 737 HA ASP 103 HA ASP 103 4.229 9.476 9.476 738 1HB ASP 103 2HB ASP 103 5.999 11.272 11.272 739 2HB ASP 103 1HB ASP 103 6.286 9.950 9.950 740 H ARG 104 H ARG 104 2.440 10.280 10.280 741 HA ARG 104 HA ARG 104 1.441 12.993 12.993 742 1HB ARG 104 2HB ARG 104 0.014 11.618 11.618 743 2HB ARG 104 1HB ARG 104 -0.594 12.196 12.196 744 1HG ARG 104 2HG ARG 104 -0.895 9.998 9.998 745 2HG ARG 104 1HG ARG 104 0.835 9.964 9.964 746 1HD ARG 104 2HD ARG 104 -0.626 9.179 9.179 747 2HD ARG 104 1HD ARG 104 0.480 8.195 8.195 748 HE ARG 104 HE ARG 104 1.663 10.661 10.661 749 1HH1 ARG 104 1HH2 ARG 104 3.115 8.094 8.094 750 2HH1 ARG 104 2HH2 ARG 104 3.530 7.473 7.473 751 1HH2 ARG 104 1HH1 ARG 104 1.307 9.520 9.520 752 2HH2 ARG 104 2HH1 ARG 104 2.507 8.281 8.281 753 H GLN 105 H GLN 105 2.522 14.589 14.589 754 HA GLN 105 HA GLN 105 3.507 14.071 14.071 755 1HB GLN 105 2HB GLN 105 4.714 15.168 15.168 756 2HB GLN 105 1HB GLN 105 3.909 16.625 16.625 757 1HG GLN 105 2HG GLN 105 5.303 16.807 16.807 758 2HG GLN 105 1HG GLN 105 5.174 15.088 15.088 759 1HE2 GLN 105 2HE2 GLN 105 8.017 16.160 16.160 760 2HE2 GLN 105 1HE2 GLN 105 6.547 17.008 17.008 761 H TRP 106 H TRP 106 3.435 16.972 16.972 762 HA TRP 106 HA TRP 106 0.901 17.113 17.113 763 1HB TRP 106 2HB TRP 106 2.726 19.413 19.413 764 2HB TRP 106 1HB TRP 106 1.716 19.250 19.250 765 HD1 TRP 106 HD TRP 106 4.795 19.752 19.752 766 HE1 TRP 106 1HE TRP 106 6.283 17.993 17.993 767 HE3 TRP 106 3HE TRP 106 1.860 15.601 15.601 768 HZ2 TRP 106 2HZ TRP 106 6.236 15.199 15.199 769 HZ3 TRP 106 3HZ TRP 106 2.607 13.408 13.408 770 HH2 TRP 106 HH TRP 106 4.790 13.202 13.202 Start of MODEL 10 1 1H SER 1 2HT SER 1 3.786 -11.565 -11.565 2 2H SER 1 1HT SER 1 2.803 -11.053 -11.053 3 3H SER 1 3HT SER 1 2.108 -11.413 -11.413 4 HA SER 1 HA SER 1 3.195 -9.533 -9.533 5 1HB SER 1 2HB SER 1 2.158 -8.120 -8.120 6 2HB SER 1 1HB SER 1 1.401 -8.360 -8.360 7 HG SER 1 HG SER 1 0.885 -9.558 -9.558 8 H LYS 2 H LYS 2 4.701 -7.826 -7.826 9 HA LYS 2 HA LYS 2 6.783 -8.162 -8.162 10 1HB LYS 2 2HB LYS 2 6.942 -7.795 -7.795 11 2HB LYS 2 1HB LYS 2 6.777 -6.094 -6.094 12 1HG LYS 2 2HG LYS 2 9.031 -6.166 -6.166 13 2HG LYS 2 1HG LYS 2 8.648 -6.964 -6.964 14 1HD LYS 2 2HD LYS 2 10.060 -8.555 -8.555 15 2HD LYS 2 1HD LYS 2 8.546 -9.111 -9.111 16 1HE LYS 2 2HE LYS 2 9.484 -8.839 -8.839 17 2HE LYS 2 1HE LYS 2 9.546 -7.093 -7.093 18 1HZ LYS 2 2HZ LYS 2 11.548 -8.979 -8.979 19 2HZ LYS 2 1HZ LYS 2 11.759 -8.215 -8.215 20 3HZ LYS 2 3HZ LYS 2 11.644 -7.286 -7.286 21 H VAL 3 H VAL 3 6.278 -7.064 -7.064 22 HA VAL 3 HA VAL 3 5.040 -4.363 -4.363 23 HB VAL 3 HB VAL 3 5.058 -6.474 -6.474 24 1HG1 VAL 3 3HG1 VAL 3 4.201 -3.572 -3.572 25 2HG1 VAL 3 2HG1 VAL 3 3.737 -4.807 -4.807 26 3HG1 VAL 3 1HG1 VAL 3 5.436 -4.374 -4.374 27 1HG2 VAL 3 2HG2 VAL 3 3.344 -5.818 -5.818 28 2HG2 VAL 3 1HG2 VAL 3 2.963 -6.865 -6.865 29 3HG2 VAL 3 3HG2 VAL 3 2.565 -5.149 -5.149 30 H VAL 4 H VAL 4 5.977 -2.611 -2.611 31 HA VAL 4 HA VAL 4 8.604 -3.049 -3.049 32 HB VAL 4 HB VAL 4 7.859 -1.249 -1.249 33 1HG1 VAL 4 1HG1 VAL 4 8.911 0.162 0.162 34 2HG1 VAL 4 3HG1 VAL 4 10.279 -0.949 -0.949 35 3HG1 VAL 4 2HG1 VAL 4 9.954 -0.014 -0.014 36 1HG2 VAL 4 2HG2 VAL 4 9.302 -3.656 -3.656 37 2HG2 VAL 4 1HG2 VAL 4 9.172 -2.658 -2.658 38 3HG2 VAL 4 3HG2 VAL 4 10.502 -2.403 -2.403 39 H TYR 5 H TYR 5 8.603 -2.136 -2.136 40 HA TYR 5 HA TYR 5 6.490 -0.177 -0.177 41 1HB TYR 5 2HB TYR 5 8.445 -1.780 -1.780 42 2HB TYR 5 1HB TYR 5 7.032 -0.909 -0.909 43 HD1 TYR 5 2HD TYR 5 4.802 -1.424 -1.424 44 HD2 TYR 5 1HD TYR 5 8.175 -4.102 -4.102 45 HE1 TYR 5 2HE TYR 5 3.329 -3.356 -3.356 46 HE2 TYR 5 1HE TYR 5 6.706 -5.949 -5.949 47 HH TYR 5 HH TYR 5 3.775 -6.219 -6.219 48 H VAL 6 H VAL 6 6.923 1.876 1.876 49 HA VAL 6 HA VAL 6 9.834 2.647 2.647 50 HB VAL 6 HB VAL 6 7.621 4.525 4.525 51 1HG1 VAL 6 2HG1 VAL 6 10.259 4.929 4.929 52 2HG1 VAL 6 1HG1 VAL 6 10.339 4.668 4.668 53 3HG1 VAL 6 3HG1 VAL 6 9.324 5.953 5.953 54 1HG2 VAL 6 1HG2 VAL 6 7.673 2.436 2.436 55 2HG2 VAL 6 3HG2 VAL 6 7.920 3.966 3.966 56 3HG2 VAL 6 2HG2 VAL 6 9.298 2.924 2.924 57 H SER 7 H SER 7 10.349 3.460 3.460 58 HA SER 7 HA SER 7 8.222 3.914 3.914 59 1HB SER 7 2HB SER 7 10.024 3.974 3.974 60 2HB SER 7 1HB SER 7 10.658 2.946 2.946 61 HG SER 7 HG SER 7 11.538 4.934 4.934 62 H HIS 8 H HIS 8 9.374 6.166 6.166 63 HA HIS 8 HA HIS 8 8.668 8.308 8.308 64 1HB HIS 8 2HB HIS 8 8.632 9.594 9.594 65 2HB HIS 8 1HB HIS 8 7.259 8.666 8.666 66 HD1 HIS 8 1HD HIS 8 6.353 7.252 7.252 67 HD2 HIS 8 2HD HIS 8 10.470 7.625 7.625 68 HE1 HIS 8 1HE HIS 8 6.994 5.858 5.858 69 H ASP 9 H ASP 9 11.339 6.808 6.808 70 HA ASP 9 HA ASP 9 12.994 9.277 9.277 71 1HB ASP 9 2HB ASP 9 13.955 8.101 8.101 72 2HB ASP 9 1HB ASP 9 12.892 6.742 6.742 73 H GLY 10 H GLY 10 11.962 7.014 7.014 74 1HA GLY 10 2HA GLY 10 12.716 7.320 7.320 75 2HA GLY 10 1HA GLY 10 14.350 7.541 7.541 76 H THR 11 H THR 11 14.121 5.272 5.272 77 HA THR 11 HA THR 11 15.230 3.202 3.202 78 HB THR 11 HB THR 11 14.845 3.644 3.644 79 HG1 THR 11 1HG THR 11 15.929 1.866 1.866 80 1HG2 THR 11 3HG2 THR 11 12.322 3.204 3.204 81 2HG2 THR 11 2HG2 THR 11 12.773 1.502 1.502 82 3HG2 THR 11 1HG2 THR 11 13.100 2.416 2.416 83 H ARG 12 H ARG 12 14.427 1.779 1.779 84 HA ARG 12 HA ARG 12 11.451 1.483 1.483 85 1HB ARG 12 2HB ARG 12 13.580 1.292 1.292 86 2HB ARG 12 1HB ARG 12 11.834 1.258 1.258 87 1HG ARG 12 2HG ARG 12 11.803 3.547 3.547 88 2HG ARG 12 1HG ARG 12 13.546 3.567 3.567 89 1HD ARG 12 2HD ARG 12 11.646 3.002 3.002 90 2HD ARG 12 1HD ARG 12 12.061 4.666 4.666 91 HE ARG 12 HE ARG 12 14.266 2.714 2.714 92 1HH1 ARG 12 1HH1 ARG 12 14.424 5.782 5.782 93 2HH1 ARG 12 2HH1 ARG 12 14.794 6.289 6.289 94 1HH2 ARG 12 1HH2 ARG 12 13.918 3.256 3.256 95 2HH2 ARG 12 2HH2 ARG 12 14.507 4.859 4.859 96 H ARG 13 H ARG 13 10.663 -0.592 -0.592 97 HA ARG 13 HA ARG 13 12.639 -2.845 -2.845 98 1HB ARG 13 2HB ARG 13 11.025 -2.089 -2.089 99 2HB ARG 13 1HB ARG 13 9.830 -3.000 -3.000 100 1HG ARG 13 2HG ARG 13 10.667 -4.945 -4.945 101 2HG ARG 13 1HG ARG 13 12.274 -4.511 -4.511 102 1HD ARG 13 2HD ARG 13 11.089 -3.651 -3.651 103 2HD ARG 13 1HD ARG 13 12.358 -4.872 -4.872 104 HE ARG 13 HE ARG 13 12.690 -2.009 -2.009 105 1HH1 ARG 13 1HH2 ARG 13 14.985 -2.334 -2.334 106 2HH1 ARG 13 2HH2 ARG 13 16.103 -2.962 -2.962 107 1HH2 ARG 13 1HH1 ARG 13 13.633 -3.981 -3.981 108 2HH2 ARG 13 2HH1 ARG 13 15.336 -3.894 -3.894 109 H GLU 14 H GLU 14 11.927 -4.853 -4.853 110 HA GLU 14 HA GLU 14 9.705 -4.433 -4.433 111 1HB GLU 14 2HB GLU 14 12.363 -5.811 -5.811 112 2HB GLU 14 1HB GLU 14 11.129 -5.419 -5.419 113 1HG GLU 14 2HG GLU 14 11.448 -2.969 -2.969 114 2HG GLU 14 1HG GLU 14 12.926 -3.527 -3.527 115 H LEU 15 H LEU 15 8.192 -6.062 -6.062 116 HA LEU 15 HA LEU 15 9.100 -8.664 -8.664 117 1HB LEU 15 2HB LEU 15 6.645 -6.970 -6.970 118 2HB LEU 15 1HB LEU 15 6.505 -8.709 -8.709 119 HG LEU 15 HG LEU 15 8.290 -6.819 -6.819 120 1HD1 LEU 15 2HD1 LEU 15 5.670 -8.065 -8.065 121 2HD1 LEU 15 1HD1 LEU 15 6.812 -8.456 -8.456 122 3HD1 LEU 15 3HD1 LEU 15 6.440 -6.773 -6.773 123 1HD2 LEU 15 1HD2 LEU 15 9.363 -9.017 -9.017 124 2HD2 LEU 15 3HD2 LEU 15 9.020 -8.715 -8.715 125 3HD2 LEU 15 2HD2 LEU 15 7.958 -9.787 -9.787 126 H ASP 16 H ASP 16 8.289 -10.563 -10.563 127 HA ASP 16 HA ASP 16 7.087 -10.306 -10.306 128 1HB ASP 16 2HB ASP 16 8.460 -12.622 -12.622 129 2HB ASP 16 1HB ASP 16 7.966 -12.609 -12.609 130 H VAL 17 H VAL 17 4.931 -9.944 -9.944 131 HA VAL 17 HA VAL 17 3.794 -12.055 -12.055 132 HB VAL 17 HB VAL 17 2.960 -9.308 -9.308 133 1HG1 VAL 17 1HG1 VAL 17 1.400 -11.282 -11.282 134 2HG1 VAL 17 3HG1 VAL 17 0.978 -9.583 -9.583 135 3HG1 VAL 17 2HG1 VAL 17 0.938 -10.671 -10.671 136 1HG2 VAL 17 1HG2 VAL 17 4.397 -10.368 -10.368 137 2HG2 VAL 17 3HG2 VAL 17 4.029 -8.684 -8.684 138 3HG2 VAL 17 2HG2 VAL 17 2.892 -9.646 -9.646 139 H ALA 18 H ALA 18 1.461 -12.679 -12.679 140 HA ALA 18 HA ALA 18 1.275 -13.137 -13.137 141 1HB ALA 18 3HB ALA 18 1.876 -15.119 -15.119 142 2HB ALA 18 2HB ALA 18 0.393 -14.902 -14.902 143 3HB ALA 18 1HB ALA 18 0.306 -15.315 -15.315 144 H ASP 19 H ASP 19 -1.361 -14.526 -14.526 145 HA ASP 19 HA ASP 19 -3.018 -12.061 -12.061 146 1HB ASP 19 2HB ASP 19 -4.459 -13.302 -13.302 147 2HB ASP 19 1HB ASP 19 -2.883 -13.968 -13.968 148 H GLY 20 H GLY 20 -4.176 -11.626 -11.626 149 1HA GLY 20 2HA GLY 20 -5.856 -12.403 -12.403 150 2HA GLY 20 1HA GLY 20 -4.921 -13.891 -13.891 151 H VAL 21 H VAL 21 -2.538 -11.730 -11.730 152 HA VAL 21 HA VAL 21 -2.368 -11.478 -11.478 153 HB VAL 21 HB VAL 21 -0.379 -11.148 -11.148 154 1HG1 VAL 21 2HG1 VAL 21 -0.070 -10.839 -10.839 155 2HG1 VAL 21 1HG1 VAL 21 1.301 -11.145 -11.145 156 3HG1 VAL 21 3HG1 VAL 21 0.344 -9.676 -9.676 157 1HG2 VAL 21 3HG2 VAL 21 -1.255 -13.391 -13.391 158 2HG2 VAL 21 2HG2 VAL 21 -0.332 -13.413 -13.413 159 3HG2 VAL 21 1HG2 VAL 21 0.494 -13.148 -13.148 160 H SER 22 H SER 22 -1.312 -9.445 -9.445 161 HA SER 22 HA SER 22 -2.273 -7.035 -7.035 162 1HB SER 22 2HB SER 22 -1.989 -6.559 -6.559 163 2HB SER 22 1HB SER 22 -3.472 -6.555 -6.555 164 HG SER 22 HG SER 22 -2.567 -8.378 -8.378 165 H LEU 23 H LEU 23 -0.948 -5.042 -5.042 166 HA LEU 23 HA LEU 23 1.867 -5.650 -5.650 167 1HB LEU 23 2HB LEU 23 0.536 -3.132 -3.132 168 2HB LEU 23 1HB LEU 23 2.147 -3.235 -3.235 169 HG LEU 23 HG LEU 23 -0.493 -3.641 -3.641 170 1HD1 LEU 23 1HD1 LEU 23 1.002 -1.381 -1.381 171 2HD1 LEU 23 3HD1 LEU 23 1.652 -1.970 -1.970 172 3HD1 LEU 23 2HD1 LEU 23 -0.073 -1.635 -1.635 173 1HD2 LEU 23 3HD2 LEU 23 2.200 -4.711 -4.711 174 2HD2 LEU 23 2HD2 LEU 23 0.622 -5.259 -5.259 175 3HD2 LEU 23 1HD2 LEU 23 1.413 -3.890 -3.890 176 H MET 24 H MET 24 -0.140 -5.020 -5.020 177 HA MET 24 HA MET 24 2.161 -5.136 -5.136 178 1HB MET 24 2HB MET 24 -0.218 -3.984 -3.984 179 2HB MET 24 1HB MET 24 -0.628 -5.512 -5.512 180 1HG MET 24 2HG MET 24 1.757 -4.931 -4.931 181 2HG MET 24 1HG MET 24 1.101 -3.313 -3.313 182 1HE MET 24 2HE MET 24 0.908 -6.664 -6.664 183 2HE MET 24 1HE MET 24 -0.185 -6.730 -6.730 184 3HE MET 24 3HE MET 24 -0.826 -6.867 -6.867 185 H GLN 25 H GLN 25 0.954 -7.475 -7.475 186 HA GLN 25 HA GLN 25 0.940 -9.524 -9.524 187 1HB GLN 25 2HB GLN 25 -0.950 -9.516 -9.516 188 2HB GLN 25 1HB GLN 25 0.117 -9.471 -9.471 189 1HG GLN 25 2HG GLN 25 0.683 -11.710 -11.710 190 2HG GLN 25 1HG GLN 25 0.437 -11.728 -11.728 191 1HE2 GLN 25 2HE2 GLN 25 -3.235 -11.507 -11.507 192 2HE2 GLN 25 1HE2 GLN 25 -2.153 -10.202 -10.202 193 H ALA 26 H ALA 26 2.121 -9.550 -9.550 194 HA ALA 26 HA ALA 26 4.192 -11.428 -11.428 195 1HB ALA 26 2HB ALA 26 3.796 -8.984 -8.984 196 2HB ALA 26 1HB ALA 26 5.320 -9.906 -9.906 197 3HB ALA 26 3HB ALA 26 3.760 -10.693 -10.693 198 H ALA 27 H ALA 27 4.439 -7.886 -7.886 199 HA ALA 27 HA ALA 27 7.119 -7.618 -7.618 200 1HB ALA 27 2HB ALA 27 4.531 -6.155 -6.155 201 2HB ALA 27 1HB ALA 27 6.006 -5.526 -5.526 202 3HB ALA 27 3HB ALA 27 5.878 -5.700 -5.700 203 H VAL 28 H VAL 28 4.185 -7.832 -7.832 204 HA VAL 28 HA VAL 28 5.038 -7.838 -7.838 205 HB VAL 28 HB VAL 28 2.927 -8.793 -8.793 206 1HG1 VAL 28 3HG1 VAL 28 3.897 -10.816 -10.816 207 2HG1 VAL 28 2HG1 VAL 28 2.177 -10.673 -10.673 208 3HG1 VAL 28 1HG1 VAL 28 3.306 -11.086 -11.086 209 1HG2 VAL 28 2HG2 VAL 28 2.849 -7.165 -7.165 210 2HG2 VAL 28 1HG2 VAL 28 1.556 -8.369 -8.369 211 3HG2 VAL 28 3HG2 VAL 28 2.916 -8.551 -8.551 212 H SER 29 H SER 29 4.948 -10.793 -10.793 213 HA SER 29 HA SER 29 6.400 -12.503 -12.503 214 1HB SER 29 2HB SER 29 6.961 -13.050 -13.050 215 2HB SER 29 1HB SER 29 5.810 -13.876 -13.876 216 HG SER 29 HG SER 29 4.286 -12.913 -12.913 217 H ASN 30 H ASN 30 7.448 -10.641 -10.641 218 HA ASN 30 HA ASN 30 10.234 -11.186 -11.186 219 1HB ASN 30 2HB ASN 30 8.333 -9.260 -9.260 220 2HB ASN 30 1HB ASN 30 9.988 -8.678 -8.678 221 1HD2 ASN 30 2HD2 ASN 30 9.030 -11.509 -11.509 222 2HD2 ASN 30 1HD2 ASN 30 7.864 -10.833 -10.833 223 H GLY 31 H GLY 31 8.246 -9.503 -9.503 224 1HA GLY 31 2HA GLY 31 8.952 -8.485 -8.485 225 2HA GLY 31 1HA GLY 31 10.607 -8.456 -8.456 226 H ILE 32 H ILE 32 9.172 -7.324 -7.324 227 HA ILE 32 HA ILE 32 9.939 -4.681 -4.681 228 HB ILE 32 HB ILE 32 7.550 -6.093 -6.093 229 1HG1 ILE 32 2HG1 ILE 32 10.245 -5.256 -5.256 230 2HG1 ILE 32 1HG1 ILE 32 9.643 -6.895 -6.895 231 1HG2 ILE 32 3HG2 ILE 32 8.559 -3.299 -3.299 232 2HG2 ILE 32 2HG2 ILE 32 7.384 -4.181 -4.181 233 3HG2 ILE 32 1HG2 ILE 32 6.978 -3.715 -3.715 234 1HD1 ILE 32 2HD1 ILE 32 7.699 -6.058 -6.058 235 2HD1 ILE 32 1HD1 ILE 32 8.910 -4.882 -4.882 236 3HD1 ILE 32 3HD1 ILE 32 9.231 -6.607 -6.607 237 H TYR 33 H TYR 33 6.894 -6.028 -6.028 238 HA TYR 33 HA TYR 33 6.216 -3.333 -3.333 239 1HB TYR 33 2HB TYR 33 4.718 -5.912 -5.912 240 2HB TYR 33 1HB TYR 33 4.064 -4.655 -4.655 241 HD1 TYR 33 1HD TYR 33 3.721 -2.317 -2.317 242 HD2 TYR 33 2HD TYR 33 4.728 -5.680 -5.680 243 HE1 TYR 33 1HE TYR 33 2.988 -1.052 -1.052 244 HE2 TYR 33 2HE TYR 33 4.009 -4.454 -4.454 245 HH TYR 33 HH TYR 33 2.667 -2.608 -2.608 246 H ASP 34 H ASP 34 8.351 -4.160 -4.160 247 HA ASP 34 HA ASP 34 7.890 -5.867 -5.867 248 1HB ASP 34 2HB ASP 34 10.010 -4.967 -4.967 249 2HB ASP 34 1HB ASP 34 10.089 -5.092 -5.092 250 H ILE 35 H ILE 35 6.503 -2.930 -2.930 251 HA ILE 35 HA ILE 35 6.453 -1.659 -1.659 252 HB ILE 35 HB ILE 35 6.290 -0.715 -0.715 253 1HG1 ILE 35 2HG1 ILE 35 4.678 0.142 0.142 254 2HG1 ILE 35 1HG1 ILE 35 6.132 0.865 0.865 255 1HG2 ILE 35 3HG2 ILE 35 4.030 -2.330 -2.330 256 2HG2 ILE 35 2HG2 ILE 35 3.368 -0.713 -0.713 257 3HG2 ILE 35 1HG2 ILE 35 4.403 -1.051 -1.051 258 1HD1 ILE 35 1HD1 ILE 35 4.524 1.213 1.213 259 2HD1 ILE 35 3HD1 ILE 35 3.290 1.188 1.188 260 3HD1 ILE 35 2HD1 ILE 35 4.588 2.380 2.380 261 H VAL 36 H VAL 36 3.448 -1.106 -1.106 262 HA VAL 36 HA VAL 36 2.500 -3.288 -3.288 263 HB VAL 36 HB VAL 36 0.438 -1.914 -1.914 264 1HG1 VAL 36 3HG1 VAL 36 3.129 -0.634 -0.634 265 2HG1 VAL 36 2HG1 VAL 36 1.670 0.329 0.329 266 3HG1 VAL 36 1HG1 VAL 36 1.937 -1.105 -1.105 267 1HG2 VAL 36 2HG2 VAL 36 1.746 -0.865 -0.865 268 2HG2 VAL 36 1HG2 VAL 36 0.036 -0.909 -0.909 269 3HG2 VAL 36 3HG2 VAL 36 1.068 0.376 0.376 270 H GLY 37 H GLY 37 1.307 -5.045 -5.045 271 1HA GLY 37 2HA GLY 37 0.400 -5.092 -5.092 272 2HA GLY 37 1HA GLY 37 1.043 -6.517 -6.517 273 H ASP 38 H ASP 38 -1.435 -4.038 -4.038 274 HA ASP 38 HA ASP 38 -3.098 -6.023 -6.023 275 1HB ASP 38 2HB ASP 38 -3.362 -3.103 -3.103 276 2HB ASP 38 1HB ASP 38 -4.622 -3.971 -3.971 277 H CYS 39 H CYS 39 -2.527 -5.667 -5.667 278 HA CYS 39 HA CYS 39 -5.389 -6.052 -6.052 279 1HB CYS 39 2HB CYS 39 -4.249 -5.595 -5.595 280 2HB CYS 39 1HB CYS 39 -4.664 -4.265 -4.265 281 H GLY 40 H GLY 40 -2.191 -7.128 -7.128 282 1HA GLY 40 2HA GLY 40 -1.628 -9.201 -9.201 283 2HA GLY 40 1HA GLY 40 -2.415 -9.860 -9.860 284 H GLY 41 H GLY 41 -3.630 -8.132 -8.132 285 1HA GLY 41 2HA GLY 41 -5.147 -8.903 -8.903 286 2HA GLY 41 1HA GLY 41 -5.127 -10.490 -10.490 287 H SER 42 H SER 42 -5.813 -7.454 -7.454 288 HA SER 42 HA SER 42 -8.644 -8.379 -8.379 289 1HB SER 42 2HB SER 42 -6.995 -8.667 -8.667 290 2HB SER 42 1HB SER 42 -6.975 -6.909 -6.909 291 HG SER 42 HG SER 42 -9.444 -7.348 -7.348 292 H ALA 43 H ALA 43 -6.447 -5.573 -5.573 293 HA ALA 43 HA ALA 43 -6.820 -3.377 -3.377 294 1HB ALA 43 3HB ALA 43 -8.315 -4.941 -4.941 295 2HB ALA 43 2HB ALA 43 -9.612 -4.069 -4.069 296 3HB ALA 43 1HB ALA 43 -8.394 -3.183 -3.183 297 H SER 44 H SER 44 -7.059 -3.572 -3.572 298 HA SER 44 HA SER 44 -9.499 -1.949 -1.949 299 1HB SER 44 2HB SER 44 -9.980 -3.311 -3.311 300 2HB SER 44 1HB SER 44 -9.313 -4.497 -4.497 301 HG SER 44 HG SER 44 -8.227 -4.765 -4.765 302 H CYS 45 H CYS 45 -6.238 -1.754 -1.754 303 HA CYS 45 HA CYS 45 -5.937 -0.217 -0.217 304 1HB CYS 45 2HB CYS 45 -3.390 -0.701 -0.701 305 2HB CYS 45 1HB CYS 45 -4.040 -1.375 -1.375 306 H ALA 46 H ALA 46 -4.851 1.813 1.813 307 HA ALA 46 HA ALA 46 -4.954 3.231 3.231 308 1HB ALA 46 2HB ALA 46 -5.036 4.185 4.185 309 2HB ALA 46 1HB ALA 46 -5.141 5.239 5.239 310 3HB ALA 46 3HB ALA 46 -6.412 4.057 4.057 311 H THR 47 H THR 47 -2.634 1.701 1.701 312 HA THR 47 HA THR 47 -0.614 3.895 3.895 313 HB THR 47 HB THR 47 0.729 2.083 2.083 314 HG1 THR 47 1HG THR 47 -0.819 0.645 0.645 315 1HG2 THR 47 3HG2 THR 47 -1.798 3.256 3.256 316 2HG2 THR 47 2HG2 THR 47 -0.421 2.650 2.650 317 3HG2 THR 47 1HG2 THR 47 -0.235 4.066 4.066 318 H CYS 48 H CYS 48 -1.843 1.757 1.757 319 HA CYS 48 HA CYS 48 0.805 0.963 0.963 320 1HB CYS 48 2HB CYS 48 -1.404 -0.495 -0.495 321 2HB CYS 48 1HB CYS 48 -0.069 -1.106 -1.106 322 H HIS 49 H HIS 49 -1.172 3.410 3.410 323 HA HIS 49 HA HIS 49 -2.366 3.669 3.669 324 1HB HIS 49 2HB HIS 49 -1.906 5.350 5.350 325 2HB HIS 49 1HB HIS 49 -0.369 5.664 5.664 326 HD1 HIS 49 1HD HIS 49 -2.979 7.619 7.619 327 HD2 HIS 49 2HD HIS 49 -1.654 5.648 5.648 328 HE1 HIS 49 1HE HIS 49 -3.894 8.910 8.910 329 H VAL 50 H VAL 50 -1.619 3.804 3.804 330 HA VAL 50 HA VAL 50 1.308 3.941 3.941 331 HB VAL 50 HB VAL 50 1.092 1.954 1.954 332 1HG1 VAL 50 1HG1 VAL 50 1.591 2.062 2.062 333 2HG1 VAL 50 3HG1 VAL 50 0.329 0.833 0.833 334 3HG1 VAL 50 2HG1 VAL 50 1.819 0.637 0.637 335 1HG2 VAL 50 3HG2 VAL 50 -1.446 2.209 2.209 336 2HG2 VAL 50 2HG2 VAL 50 -0.833 0.564 0.564 337 3HG2 VAL 50 1HG2 VAL 50 -1.465 1.428 1.428 338 H TYR 51 H TYR 51 1.787 4.479 4.479 339 HA TYR 51 HA TYR 51 -0.516 5.619 5.619 340 1HB TYR 51 2HB TYR 51 2.249 6.565 6.565 341 2HB TYR 51 1HB TYR 51 1.393 7.248 7.248 342 HD1 TYR 51 1HD TYR 51 -1.328 6.519 6.519 343 HD2 TYR 51 2HD TYR 51 2.158 9.037 9.037 344 HE1 TYR 51 1HE TYR 51 -2.604 8.093 8.093 345 HE2 TYR 51 2HE TYR 51 0.858 10.601 10.601 346 HH TYR 51 HH TYR 51 -1.794 11.123 11.123 347 H VAL 52 H VAL 52 -0.792 4.622 4.622 348 HA VAL 52 HA VAL 52 1.444 3.048 3.048 349 HB VAL 52 HB VAL 52 -1.429 3.381 3.381 350 1HG1 VAL 52 3HG1 VAL 52 0.145 2.337 2.337 351 2HG1 VAL 52 2HG1 VAL 52 0.579 1.130 1.130 352 3HG1 VAL 52 1HG1 VAL 52 -1.064 1.181 1.181 353 1HG2 VAL 52 1HG2 VAL 52 -0.344 2.055 2.055 354 2HG2 VAL 52 3HG2 VAL 52 -2.027 2.327 2.327 355 3HG2 VAL 52 2HG2 VAL 52 -1.167 0.915 0.915 356 H ASN 53 H ASN 53 1.667 3.362 3.362 357 HA ASN 53 HA ASN 53 2.275 6.160 6.160 358 1HB ASN 53 2HB ASN 53 2.798 5.151 5.151 359 2HB ASN 53 1HB ASN 53 3.609 4.345 4.345 360 1HD2 ASN 53 2HD2 ASN 53 1.861 1.343 1.343 361 2HD2 ASN 53 1HD2 ASN 53 2.950 2.230 2.230 362 H GLU 54 H GLU 54 1.323 6.015 6.015 363 HA GLU 54 HA GLU 54 -1.510 6.782 6.782 364 1HB GLU 54 2HB GLU 54 -1.189 7.933 7.933 365 2HB GLU 54 1HB GLU 54 -0.109 8.495 8.495 366 1HG GLU 54 2HG GLU 54 1.731 7.751 7.751 367 2HG GLU 54 1HG GLU 54 0.974 6.205 6.205 368 H ALA 55 H ALA 55 0.353 4.286 4.286 369 HA ALA 55 HA ALA 55 -1.847 3.603 3.603 370 1HB ALA 55 2HB ALA 55 1.020 2.748 2.748 371 2HB ALA 55 1HB ALA 55 -0.048 1.966 1.966 372 3HB ALA 55 3HB ALA 55 0.326 3.681 3.681 373 H PHE 56 H PHE 56 -0.111 2.053 2.053 374 HA PHE 56 HA PHE 56 -1.655 -0.420 -0.420 375 1HB PHE 56 2HB PHE 56 0.300 0.576 0.576 376 2HB PHE 56 1HB PHE 56 -0.341 -1.058 -1.058 377 HD1 PHE 56 1HD PHE 56 1.644 1.429 1.429 378 HD2 PHE 56 2HD PHE 56 0.548 -2.751 -2.751 379 HE1 PHE 56 1HE PHE 56 3.283 0.866 0.866 380 HE2 PHE 56 2HE PHE 56 2.182 -3.261 -3.261 381 HZ PHE 56 HZ PHE 56 3.552 -1.475 -1.475 382 H THR 57 H THR 57 -2.258 2.552 2.552 383 HA THR 57 HA THR 57 -3.893 1.410 1.410 384 HB THR 57 HB THR 57 -3.954 3.574 3.574 385 HG1 THR 57 1HG THR 57 -5.074 4.895 4.895 386 1HG2 THR 57 1HG2 THR 57 -1.591 3.085 3.085 387 2HG2 THR 57 3HG2 THR 57 -2.084 4.470 4.470 388 3HG2 THR 57 2HG2 THR 57 -1.947 4.622 4.622 389 H ASP 58 H ASP 58 -4.531 3.228 3.228 390 HA ASP 58 HA ASP 58 -7.378 3.131 3.131 391 1HB ASP 58 2HB ASP 58 -7.080 3.448 3.448 392 2HB ASP 58 1HB ASP 58 -6.243 4.616 4.616 393 H LYS 59 H LYS 59 -5.084 0.646 0.646 394 HA LYS 59 HA LYS 59 -6.946 -1.077 -1.077 395 1HB LYS 59 2HB LYS 59 -4.149 -1.530 -1.530 396 2HB LYS 59 1HB LYS 59 -4.982 -2.546 -2.546 397 1HG LYS 59 2HG LYS 59 -4.559 0.395 0.395 398 2HG LYS 59 1HG LYS 59 -3.309 -0.787 -0.787 399 1HD LYS 59 2HD LYS 59 -5.926 -1.660 -1.660 400 2HD LYS 59 1HD LYS 59 -5.488 -0.091 -0.091 401 1HE LYS 59 2HE LYS 59 -3.141 -1.698 -1.698 402 2HE LYS 59 1HE LYS 59 -4.474 -2.677 -2.677 403 1HZ LYS 59 2HZ LYS 59 -4.335 0.153 0.153 404 2HZ LYS 59 1HZ LYS 59 -3.261 -0.922 -0.922 405 3HZ LYS 59 3HZ LYS 59 -4.935 -1.168 -1.168 406 H VAL 60 H VAL 60 -5.112 -1.258 -1.258 407 HA VAL 60 HA VAL 60 -6.097 -3.603 -3.603 408 HB VAL 60 HB VAL 60 -5.840 -2.286 -2.286 409 1HG1 VAL 60 2HG1 VAL 60 -3.643 -2.193 -2.193 410 2HG1 VAL 60 1HG1 VAL 60 -3.400 -1.978 -1.978 411 3HG1 VAL 60 3HG1 VAL 60 -3.977 -3.523 -3.523 412 1HG2 VAL 60 2HG2 VAL 60 -6.502 -0.111 -0.111 413 2HG2 VAL 60 1HG2 VAL 60 -5.093 -0.036 -0.036 414 3HG2 VAL 60 3HG2 VAL 60 -4.880 -0.108 -0.108 415 HA PRO 61 HA PRO 61 -10.382 -3.143 -3.143 416 1HB PRO 61 2HB PRO 61 -10.616 -4.119 -4.119 417 2HB PRO 61 1HB PRO 61 -10.356 -5.141 -5.141 418 1HG PRO 61 2HG PRO 61 -8.386 -4.171 -4.171 419 2HG PRO 61 1HG PRO 61 -8.520 -5.765 -5.765 420 1HD PRO 61 2HD PRO 61 -6.690 -3.938 -3.938 421 2HD PRO 61 1HD PRO 61 -7.438 -5.092 -5.092 422 H ALA 62 H ALA 62 -11.938 -2.065 -2.065 423 HA ALA 62 HA ALA 62 -11.059 0.524 0.524 424 1HB ALA 62 1HB ALA 62 -13.236 -0.648 -0.648 425 2HB ALA 62 3HB ALA 62 -13.865 -0.206 -0.206 426 3HB ALA 62 2HB ALA 62 -13.138 1.027 1.027 427 H ALA 63 H ALA 63 -10.675 0.949 0.949 428 HA ALA 63 HA ALA 63 -11.012 -0.997 -0.997 429 1HB ALA 63 1HB ALA 63 -10.459 1.990 1.990 430 2HB ALA 63 3HB ALA 63 -10.257 0.947 0.947 431 3HB ALA 63 2HB ALA 63 -9.247 0.708 0.708 432 H ASN 64 H ASN 64 -12.474 -0.729 -0.729 433 HA ASN 64 HA ASN 64 -15.084 0.433 0.433 434 1HB ASN 64 2HB ASN 64 -15.918 -1.002 -1.002 435 2HB ASN 64 1HB ASN 64 -15.031 -1.910 -1.910 436 1HD2 ASN 64 2HD2 ASN 64 -13.700 -2.892 -2.892 437 2HD2 ASN 64 1HD2 ASN 64 -15.227 -2.963 -2.963 438 H GLU 65 H GLU 65 -16.333 0.835 0.835 439 HA GLU 65 HA GLU 65 -15.459 3.426 3.426 440 1HB GLU 65 2HB GLU 65 -17.401 3.299 3.299 441 2HB GLU 65 1HB GLU 65 -17.770 2.263 2.263 442 1HG GLU 65 2HG GLU 65 -18.257 0.680 0.680 443 2HG GLU 65 1HG GLU 65 -16.510 0.517 0.517 444 H ARG 66 H ARG 66 -14.585 0.225 0.225 445 HA ARG 66 HA ARG 66 -13.806 0.768 0.768 446 1HB ARG 66 2HB ARG 66 -13.665 -1.327 -1.327 447 2HB ARG 66 1HB ARG 66 -12.042 -1.082 -1.082 448 1HG ARG 66 2HG ARG 66 -14.523 -1.926 -1.926 449 2HG ARG 66 1HG ARG 66 -12.911 -2.643 -2.643 450 1HD ARG 66 2HD ARG 66 -12.711 -1.544 -1.544 451 2HD ARG 66 1HD ARG 66 -12.399 -0.123 -0.123 452 HE ARG 66 HE ARG 66 -15.183 -0.350 -0.350 453 1HH1 ARG 66 1HH1 ARG 66 -12.529 0.777 0.777 454 2HH1 ARG 66 2HH1 ARG 66 -13.469 1.302 1.302 455 1HH2 ARG 66 1HH2 ARG 66 -16.440 -0.010 -0.010 456 2HH2 ARG 66 2HH2 ARG 66 -15.684 0.857 0.857 457 H GLU 67 H GLU 67 -11.919 0.630 0.630 458 HA GLU 67 HA GLU 67 -9.438 1.486 1.486 459 1HB GLU 67 2HB GLU 67 -9.679 0.468 0.468 460 2HB GLU 67 1HB GLU 67 -10.845 1.682 1.682 461 1HG GLU 67 2HG GLU 67 -8.613 3.180 3.180 462 2HG GLU 67 1HG GLU 67 -7.927 1.763 1.763 463 H ILE 68 H ILE 68 -12.038 3.442 3.442 464 HA ILE 68 HA ILE 68 -10.804 5.924 5.924 465 HB ILE 68 HB ILE 68 -13.585 4.896 4.896 466 1HG1 ILE 68 2HG1 ILE 68 -13.952 5.972 5.972 467 2HG1 ILE 68 1HG1 ILE 68 -12.423 6.842 6.842 468 1HG2 ILE 68 2HG2 ILE 68 -13.421 6.913 6.913 469 2HG2 ILE 68 1HG2 ILE 68 -12.933 7.857 7.857 470 3HG2 ILE 68 3HG2 ILE 68 -14.537 7.126 7.126 471 1HD1 ILE 68 1HD1 ILE 68 -11.243 4.621 4.621 472 2HD1 ILE 68 3HD1 ILE 68 -12.795 3.849 3.849 473 3HD1 ILE 68 2HD1 ILE 68 -12.086 4.948 4.948 474 H GLY 69 H GLY 69 -11.878 4.195 4.195 475 1HA GLY 69 2HA GLY 69 -11.476 6.629 6.629 476 2HA GLY 69 1HA GLY 69 -12.039 5.078 5.078 477 H MET 70 H MET 70 -10.296 3.275 3.275 478 HA MET 70 HA MET 70 -8.047 3.721 3.721 479 1HB MET 70 2HB MET 70 -7.070 1.819 1.819 480 2HB MET 70 1HB MET 70 -8.558 1.463 1.463 481 1HG MET 70 2HG MET 70 -9.489 2.567 2.567 482 2HG MET 70 1HG MET 70 -8.032 1.743 1.743 483 1HE MET 70 1HE MET 70 -7.917 0.065 0.065 484 2HE MET 70 3HE MET 70 -7.691 -1.121 -1.121 485 3HE MET 70 2HE MET 70 -8.900 -1.419 -1.419 486 H LEU 71 H LEU 71 -8.330 3.935 3.935 487 HA LEU 71 HA LEU 71 -5.598 4.663 4.663 488 1HB LEU 71 2HB LEU 71 -7.447 3.571 3.571 489 2HB LEU 71 1HB LEU 71 -8.131 5.201 5.201 490 HG LEU 71 HG LEU 71 -5.658 4.065 4.065 491 1HD1 LEU 71 1HD1 LEU 71 -8.163 5.351 5.351 492 2HD1 LEU 71 3HD1 LEU 71 -6.780 6.145 6.145 493 3HD1 LEU 71 2HD1 LEU 71 -7.041 4.418 4.418 494 1HD2 LEU 71 2HD2 LEU 71 -6.003 7.005 7.005 495 2HD2 LEU 71 1HD2 LEU 71 -4.751 5.937 5.937 496 3HD2 LEU 71 3HD2 LEU 71 -4.768 6.353 6.353 497 H GLU 72 H GLU 72 -8.475 6.378 6.378 498 HA GLU 72 HA GLU 72 -7.340 9.053 9.053 499 1HB GLU 72 2HB GLU 72 -9.656 8.883 8.883 500 2HB GLU 72 1HB GLU 72 -9.927 7.912 7.912 501 1HG GLU 72 2HG GLU 72 -10.258 9.734 9.734 502 2HG GLU 72 1HG GLU 72 -8.784 10.507 10.507 503 H CYS 73 H CYS 73 -7.753 6.848 6.848 504 HA CYS 73 HA CYS 73 -7.697 8.557 8.557 505 1HB CYS 73 2HB CYS 73 -7.049 5.834 5.834 506 2HB CYS 73 1HB CYS 73 -5.816 6.457 6.457 507 HG CYS 73 HG CYS 73 -8.688 5.844 5.844 508 H VAL 74 H VAL 74 -4.974 7.558 7.558 509 HA VAL 74 HA VAL 74 -3.154 9.392 9.392 510 HB VAL 74 HB VAL 74 -1.546 8.437 8.437 511 1HG1 VAL 74 1HG1 VAL 74 -2.949 6.616 6.616 512 2HG1 VAL 74 3HG1 VAL 74 -1.403 6.255 6.255 513 3HG1 VAL 74 2HG1 VAL 74 -1.543 7.633 7.633 514 1HG2 VAL 74 1HG2 VAL 74 -3.820 7.634 7.634 515 2HG2 VAL 74 3HG2 VAL 74 -2.264 6.835 6.835 516 3HG2 VAL 74 2HG2 VAL 74 -3.438 6.177 6.177 517 H THR 75 H THR 75 -4.227 11.380 11.380 518 HA THR 75 HA THR 75 -5.080 12.311 12.311 519 HB THR 75 HB THR 75 -5.136 13.468 13.468 520 HG1 THR 75 1HG THR 75 -3.765 15.161 15.161 521 1HG2 THR 75 1HG2 THR 75 -2.342 13.026 13.026 522 2HG2 THR 75 3HG2 THR 75 -2.570 14.775 14.775 523 3HG2 THR 75 2HG2 THR 75 -3.237 13.855 13.855 524 H ALA 76 H ALA 76 -3.825 11.586 11.586 525 HA ALA 76 HA ALA 76 -1.122 12.867 12.867 526 1HB ALA 76 2HB ALA 76 -2.079 10.108 10.108 527 2HB ALA 76 1HB ALA 76 -1.215 10.654 10.654 528 3HB ALA 76 3HB ALA 76 -0.425 10.698 10.698 529 H GLU 77 H GLU 77 -3.439 14.241 14.241 530 HA GLU 77 HA GLU 77 -4.645 15.070 15.070 531 1HB GLU 77 2HB GLU 77 -3.034 15.849 15.849 532 2HB GLU 77 1HB GLU 77 -2.423 16.145 16.145 533 1HG GLU 77 2HG GLU 77 -0.949 14.256 14.256 534 2HG GLU 77 1HG GLU 77 -1.705 13.682 13.682 535 H LEU 78 H LEU 78 -5.427 12.644 12.644 536 HA LEU 78 HA LEU 78 -5.006 10.492 10.492 537 1HB LEU 78 2HB LEU 78 -7.187 11.827 11.827 538 2HB LEU 78 1HB LEU 78 -7.632 11.577 11.577 539 HG LEU 78 HG LEU 78 -6.958 9.168 9.168 540 1HD1 LEU 78 1HD1 LEU 78 -6.082 10.194 10.194 541 2HD1 LEU 78 3HD1 LEU 78 -7.182 8.832 8.832 542 3HD1 LEU 78 2HD1 LEU 78 -5.718 8.647 8.647 543 1HD2 LEU 78 3HD2 LEU 78 -9.220 10.515 10.515 544 2HD2 LEU 78 2HD2 LEU 78 -9.222 9.184 9.184 545 3HD2 LEU 78 1HD2 LEU 78 -8.922 8.867 8.867 546 H LYS 79 H LYS 79 -4.651 9.900 9.900 547 HA LYS 79 HA LYS 79 -4.846 12.009 12.009 548 1HB LYS 79 2HB LYS 79 -3.466 9.335 9.335 549 2HB LYS 79 1HB LYS 79 -3.082 10.832 10.832 550 1HG LYS 79 2HG LYS 79 -2.416 11.866 11.866 551 2HG LYS 79 1HG LYS 79 -2.725 10.345 10.345 552 1HD LYS 79 2HD LYS 79 -0.665 9.661 9.661 553 2HD LYS 79 1HD LYS 79 -1.093 9.765 9.765 554 1HE LYS 79 2HE LYS 79 -0.752 12.362 12.362 555 2HE LYS 79 1HE LYS 79 0.338 11.747 11.747 556 1HZ LYS 79 3HZ LYS 79 1.344 10.276 10.276 557 2HZ LYS 79 2HZ LYS 79 0.361 10.966 10.966 558 3HZ LYS 79 1HZ LYS 79 1.535 11.910 11.910 559 HA PRO 80 HA PRO 80 -7.995 9.750 9.750 560 1HB PRO 80 2HB PRO 80 -7.077 9.475 9.475 561 2HB PRO 80 1HB PRO 80 -7.679 11.012 11.012 562 1HG PRO 80 2HG PRO 80 -4.876 10.070 10.070 563 2HG PRO 80 1HG PRO 80 -5.570 11.678 11.678 564 1HD PRO 80 2HD PRO 80 -4.128 11.050 11.050 565 2HD PRO 80 1HD PRO 80 -5.434 12.253 12.253 566 H ASN 81 H ASN 81 -4.722 8.506 8.506 567 HA ASN 81 HA ASN 81 -5.791 5.752 5.752 568 1HB ASN 81 2HB ASN 81 -3.397 5.336 5.336 569 2HB ASN 81 1HB ASN 81 -4.192 6.569 6.569 570 1HD2 ASN 81 2HD2 ASN 81 -0.866 7.894 7.894 571 2HD2 ASN 81 1HD2 ASN 81 -1.347 6.530 6.530 572 H SER 82 H SER 82 -4.746 7.684 7.684 573 HA SER 82 HA SER 82 -2.928 6.192 6.192 574 1HB SER 82 2HB SER 82 -5.459 7.624 7.624 575 2HB SER 82 1HB SER 82 -4.161 7.160 7.160 576 HG SER 82 HG SER 82 -2.890 8.362 8.362 577 H ARG 83 H ARG 83 -3.304 4.681 4.681 578 HA ARG 83 HA ARG 83 -5.781 3.256 3.256 579 1HB ARG 83 2HB ARG 83 -4.203 2.592 2.592 580 2HB ARG 83 1HB ARG 83 -4.085 1.251 1.251 581 1HG ARG 83 2HG ARG 83 -6.105 0.569 0.569 582 2HG ARG 83 1HG ARG 83 -6.782 2.002 2.002 583 1HD ARG 83 2HD ARG 83 -7.462 2.606 2.606 584 2HD ARG 83 1HD ARG 83 -5.757 2.975 2.975 585 HE ARG 83 HE ARG 83 -6.157 0.158 0.158 586 1HH1 ARG 83 1HH1 ARG 83 -4.939 2.332 2.332 587 2HH1 ARG 83 2HH1 ARG 83 -5.903 2.057 2.057 588 1HH2 ARG 83 1HH2 ARG 83 -8.275 0.155 0.155 589 2HH2 ARG 83 2HH2 ARG 83 -7.793 0.825 0.825 590 H LEU 84 H LEU 84 -5.417 1.301 1.301 591 HA LEU 84 HA LEU 84 -3.284 1.772 1.772 592 1HB LEU 84 2HB LEU 84 -5.882 0.588 0.588 593 2HB LEU 84 1HB LEU 84 -4.740 -0.695 -0.695 594 HG LEU 84 HG LEU 84 -5.137 1.897 1.897 595 1HD1 LEU 84 1HD1 LEU 84 -6.225 -0.752 -0.752 596 2HD1 LEU 84 3HD1 LEU 84 -5.206 -0.509 -0.509 597 3HD1 LEU 84 2HD1 LEU 84 -6.557 0.603 0.603 598 1HD2 LEU 84 3HD2 LEU 84 -2.730 1.113 1.113 599 2HD2 LEU 84 2HD2 LEU 84 -3.346 1.130 1.130 600 3HD2 LEU 84 1HD2 LEU 84 -3.232 -0.393 -0.393 601 H SER 85 H SER 85 -1.546 0.272 0.272 602 HA SER 85 HA SER 85 -0.346 -1.119 -1.119 603 1HB SER 85 2HB SER 85 -0.389 -1.845 -1.845 604 2HB SER 85 1HB SER 85 0.784 -2.419 -2.419 605 HG SER 85 HG SER 85 1.301 -0.475 -0.475 606 H CYS 86 H CYS 86 -3.005 -1.882 -1.882 607 HA CYS 86 HA CYS 86 -3.342 -4.631 -4.631 608 1HB CYS 86 2HB CYS 86 -4.968 -4.753 -4.753 609 2HB CYS 86 1HB CYS 86 -3.259 -4.602 -4.602 610 H GLN 87 H GLN 87 -4.105 -2.449 -2.449 611 HA GLN 87 HA GLN 87 -7.074 -2.706 -2.706 612 1HB GLN 87 2HB GLN 87 -6.202 -0.454 -0.454 613 2HB GLN 87 1HB GLN 87 -5.417 -0.367 -0.367 614 1HG GLN 87 2HG GLN 87 -7.632 0.789 0.789 615 2HG GLN 87 1HG GLN 87 -7.574 -0.538 -0.538 616 1HE2 GLN 87 2HE2 GLN 87 -9.318 -1.864 -1.864 617 2HE2 GLN 87 1HE2 GLN 87 -7.697 -1.354 -1.354 618 H ILE 88 H ILE 88 -4.256 -2.361 -2.361 619 HA ILE 88 HA ILE 88 -5.899 -3.004 -3.004 620 HB ILE 88 HB ILE 88 -2.979 -2.708 -2.708 621 1HG1 ILE 88 2HG1 ILE 88 -4.699 -0.485 -0.485 622 2HG1 ILE 88 1HG1 ILE 88 -3.175 -1.102 -1.102 623 1HG2 ILE 88 2HG2 ILE 88 -5.387 -1.378 -1.378 624 2HG2 ILE 88 1HG2 ILE 88 -3.720 -1.151 -1.151 625 3HG2 ILE 88 3HG2 ILE 88 -4.475 -2.739 -2.739 626 1HD1 ILE 88 3HD1 ILE 88 -2.043 -0.314 -0.314 627 2HD1 ILE 88 2HD1 ILE 88 -3.565 0.432 0.432 628 3HD1 ILE 88 1HD1 ILE 88 -2.730 0.998 0.998 629 H ILE 89 H ILE 89 -5.520 -4.820 -4.820 630 HA ILE 89 HA ILE 89 -3.970 -7.024 -7.024 631 HB ILE 89 HB ILE 89 -6.427 -6.863 -6.863 632 1HG1 ILE 89 2HG1 ILE 89 -6.942 -6.676 -6.676 633 2HG1 ILE 89 1HG1 ILE 89 -7.305 -8.344 -8.344 634 1HG2 ILE 89 1HG2 ILE 89 -4.894 -8.638 -8.638 635 2HG2 ILE 89 3HG2 ILE 89 -4.910 -9.370 -9.370 636 3HG2 ILE 89 2HG2 ILE 89 -6.396 -9.289 -9.289 637 1HD1 ILE 89 2HD1 ILE 89 -4.927 -8.909 -8.909 638 2HD1 ILE 89 1HD1 ILE 89 -4.887 -7.300 -7.300 639 3HD1 ILE 89 3HD1 ILE 89 -6.071 -8.483 -8.483 640 H MET 90 H MET 90 -2.842 -8.476 -8.476 641 HA MET 90 HA MET 90 -1.956 -6.867 -6.867 642 1HB MET 90 2HB MET 90 -0.511 -7.925 -7.925 643 2HB MET 90 1HB MET 90 -0.401 -9.229 -9.229 644 1HG MET 90 2HG MET 90 0.637 -6.419 -6.419 645 2HG MET 90 1HG MET 90 1.425 -7.929 -7.929 646 1HE MET 90 3HE MET 90 1.435 -5.332 -5.332 647 2HE MET 90 2HE MET 90 1.616 -5.752 -5.752 648 3HE MET 90 1HE MET 90 0.217 -4.815 -4.815 649 H THR 91 H THR 91 -2.602 -7.603 -7.603 650 HA THR 91 HA THR 91 -3.459 -10.470 -10.470 651 HB THR 91 HB THR 91 -5.037 -9.721 -9.721 652 HG1 THR 91 1HG THR 91 -4.832 -7.714 -7.714 653 1HG2 THR 91 3HG2 THR 91 -4.647 -7.467 -7.467 654 2HG2 THR 91 2HG2 THR 91 -6.089 -7.683 -7.683 655 3HG2 THR 91 1HG2 THR 91 -5.659 -8.895 -8.895 656 HA PRO 92 HA PRO 92 -0.297 -11.238 -11.238 657 1HB PRO 92 2HB PRO 92 -1.553 -12.721 -12.721 658 2HB PRO 92 1HB PRO 92 -1.176 -13.343 -13.343 659 1HG PRO 92 2HG PRO 92 -3.756 -12.361 -12.361 660 2HG PRO 92 1HG PRO 92 -3.438 -13.681 -13.681 661 1HD PRO 92 2HD PRO 92 -4.353 -11.202 -11.202 662 2HD PRO 92 1HD PRO 92 -3.458 -12.297 -12.297 663 H GLU 93 H GLU 93 -2.810 -9.161 -9.161 664 HA GLU 93 HA GLU 93 -1.641 -8.633 -8.633 665 1HB GLU 93 2HB GLU 93 -3.811 -7.570 -7.570 666 2HB GLU 93 1HB GLU 93 -4.056 -9.207 -9.207 667 1HG GLU 93 2HG GLU 93 -4.913 -8.480 -8.480 668 2HG GLU 93 1HG GLU 93 -3.950 -7.002 -7.002 669 H LEU 94 H LEU 94 -2.196 -7.295 -7.295 670 HA LEU 94 HA LEU 94 -1.456 -4.539 -4.539 671 1HB LEU 94 2HB LEU 94 -2.118 -5.798 -5.798 672 2HB LEU 94 1HB LEU 94 -2.002 -4.070 -4.070 673 HG LEU 94 HG LEU 94 -4.125 -6.013 -6.013 674 1HD1 LEU 94 2HD1 LEU 94 -4.005 -3.163 -3.163 675 2HD1 LEU 94 1HD1 LEU 94 -5.501 -3.905 -3.905 676 3HD1 LEU 94 3HD1 LEU 94 -4.661 -4.574 -4.574 677 1HD2 LEU 94 2HD2 LEU 94 -3.209 -5.147 -5.147 678 2HD2 LEU 94 1HD2 LEU 94 -4.849 -4.558 -4.558 679 3HD2 LEU 94 3HD2 LEU 94 -3.464 -3.500 -3.500 680 H ASP 95 H ASP 95 0.432 -6.739 -6.739 681 HA ASP 95 HA ASP 95 2.256 -6.547 -6.547 682 1HB ASP 95 2HB ASP 95 3.602 -8.033 -8.033 683 2HB ASP 95 1HB ASP 95 1.963 -8.602 -8.602 684 H GLY 96 H GLY 96 4.220 -5.532 -5.532 685 1HA GLY 96 2HA GLY 96 6.100 -4.288 -4.288 686 2HA GLY 96 1HA GLY 96 5.019 -3.790 -3.790 687 H ILE 97 H ILE 97 3.713 -3.833 -3.833 688 HA ILE 97 HA ILE 97 3.035 -1.053 -1.053 689 HB ILE 97 HB ILE 97 1.577 -2.713 -2.713 690 1HG1 ILE 97 2HG1 ILE 97 2.554 -0.929 -0.929 691 2HG1 ILE 97 1HG1 ILE 97 1.724 -0.266 -0.266 692 1HG2 ILE 97 2HG2 ILE 97 3.815 -2.976 -2.976 693 2HG2 ILE 97 1HG2 ILE 97 2.206 -3.674 -3.674 694 3HG2 ILE 97 3HG2 ILE 97 3.257 -4.224 -4.224 695 1HD1 ILE 97 2HD1 ILE 97 -0.003 -2.211 -2.211 696 2HD1 ILE 97 1HD1 ILE 97 0.666 -2.019 -2.019 697 3HD1 ILE 97 3HD1 ILE 97 -0.094 -0.649 -0.649 698 H VAL 98 H VAL 98 3.422 0.531 0.531 699 HA VAL 98 HA VAL 98 6.038 0.444 0.444 700 HB VAL 98 HB VAL 98 4.699 2.784 2.784 701 1HG1 VAL 98 1HG1 VAL 98 7.006 2.482 2.482 702 2HG1 VAL 98 3HG1 VAL 98 7.463 3.172 3.172 703 3HG1 VAL 98 2HG1 VAL 98 6.224 3.954 3.954 704 1HG2 VAL 98 1HG2 VAL 98 6.945 0.946 0.946 705 2HG2 VAL 98 3HG2 VAL 98 5.342 1.068 1.068 706 3HG2 VAL 98 2HG2 VAL 98 6.461 2.427 2.427 707 H VAL 99 H VAL 99 5.624 0.693 0.693 708 HA VAL 99 HA VAL 99 3.032 1.966 1.966 709 HB VAL 99 HB VAL 99 4.924 0.742 0.742 710 1HG1 VAL 99 3HG1 VAL 99 2.006 1.142 1.142 711 2HG1 VAL 99 2HG1 VAL 99 2.512 -0.318 -0.318 712 3HG1 VAL 99 1HG1 VAL 99 3.027 1.274 1.274 713 1HG2 VAL 99 2HG2 VAL 99 3.921 -0.658 -0.658 714 2HG2 VAL 99 1HG2 VAL 99 5.121 -1.145 -1.145 715 3HG2 VAL 99 3HG2 VAL 99 3.412 -1.401 -1.401 716 H ASP 100 H ASP 100 3.413 2.928 2.928 717 HA ASP 100 HA ASP 100 5.936 4.289 4.289 718 1HB ASP 100 2HB ASP 100 3.459 5.873 5.873 719 2HB ASP 100 1HB ASP 100 4.971 6.575 6.575 720 H VAL 101 H VAL 101 6.128 4.850 4.850 721 HA VAL 101 HA VAL 101 3.720 4.304 4.304 722 HB VAL 101 HB VAL 101 6.621 4.594 4.594 723 1HG1 VAL 101 2HG1 VAL 101 4.379 4.533 4.533 724 2HG1 VAL 101 1HG1 VAL 101 4.708 2.805 2.805 725 3HG1 VAL 101 3HG1 VAL 101 5.934 3.885 3.885 726 1HG2 VAL 101 2HG2 VAL 101 5.687 2.670 2.670 727 2HG2 VAL 101 1HG2 VAL 101 7.056 2.451 2.451 728 3HG2 VAL 101 3HG2 VAL 101 5.454 1.887 1.887 729 HA PRO 102 HA PRO 102 3.498 8.748 8.748 730 1HB PRO 102 2HB PRO 102 1.356 8.782 8.782 731 2HB PRO 102 1HB PRO 102 1.207 8.548 8.548 732 1HG PRO 102 2HG PRO 102 1.206 6.514 6.514 733 2HG PRO 102 1HG PRO 102 0.188 6.621 6.621 734 1HD PRO 102 2HD PRO 102 2.288 4.942 4.942 735 2HD PRO 102 1HD PRO 102 1.816 5.743 5.743 736 H ASP 103 H ASP 103 3.555 10.321 10.321 737 HA ASP 103 HA ASP 103 5.162 9.027 9.027 738 1HB ASP 103 2HB ASP 103 5.967 11.455 11.455 739 2HB ASP 103 1HB ASP 103 6.469 10.588 10.588 740 H ARG 104 H ARG 104 3.084 8.487 8.487 741 HA ARG 104 HA ARG 104 1.855 10.843 10.843 742 1HB ARG 104 2HB ARG 104 0.898 8.024 8.024 743 2HB ARG 104 1HB ARG 104 -0.004 9.193 9.193 744 1HG ARG 104 2HG ARG 104 0.825 9.528 9.528 745 2HG ARG 104 1HG ARG 104 -0.814 9.255 9.255 746 1HD ARG 104 2HD ARG 104 -0.897 11.558 11.558 747 2HD ARG 104 1HD ARG 104 -0.142 11.432 11.432 748 HE ARG 104 HE ARG 104 1.987 11.939 11.939 749 1HH1 ARG 104 1HH1 ARG 104 1.815 10.441 10.441 750 2HH1 ARG 104 2HH1 ARG 104 1.644 11.698 11.698 751 1HH2 ARG 104 1HH2 ARG 104 0.736 14.112 14.112 752 2HH2 ARG 104 2HH2 ARG 104 1.033 13.775 13.775 753 H GLN 105 H GLN 105 3.572 10.938 10.938 754 HA GLN 105 HA GLN 105 3.549 8.624 8.624 755 1HB GLN 105 2HB GLN 105 5.735 10.679 10.679 756 2HB GLN 105 1HB GLN 105 5.859 9.140 9.140 757 1HG GLN 105 2HG GLN 105 5.558 7.900 7.900 758 2HG GLN 105 1HG GLN 105 5.208 9.381 9.381 759 1HE2 GLN 105 2HE2 GLN 105 8.711 10.498 10.498 760 2HE2 GLN 105 1HE2 GLN 105 7.165 11.134 11.134 761 H TRP 106 H TRP 106 2.209 11.555 11.555 762 HA TRP 106 HA TRP 106 2.923 13.089 13.089 763 1HB TRP 106 2HB TRP 106 1.170 13.224 13.224 764 2HB TRP 106 1HB TRP 106 0.080 13.092 13.092 765 HD1 TRP 106 HD TRP 106 -0.098 15.110 15.110 766 HE1 TRP 106 1HE TRP 106 0.871 17.498 17.498 767 HE3 TRP 106 3HE TRP 106 3.341 14.648 14.648 768 HZ2 TRP 106 2HZ TRP 106 2.846 19.014 19.014 769 HZ3 TRP 106 3HZ TRP 106 4.753 16.578 16.578 770 HH2 TRP 106 HH TRP 106 4.509 18.758 18.758 Start of MODEL 11 1 1H SER 1 3HT SER 1 3.003 -11.427 -11.427 2 2H SER 1 2HT SER 1 1.369 -10.983 -10.983 3 3H SER 1 1HT SER 1 1.977 -11.525 -11.525 4 HA SER 1 HA SER 1 2.789 -9.517 -9.517 5 1HB SER 1 2HB SER 1 1.564 -7.882 -7.882 6 2HB SER 1 1HB SER 1 0.821 -8.461 -8.461 7 HG SER 1 HG SER 1 -0.502 -9.362 -9.362 8 H LYS 2 H LYS 2 4.485 -8.083 -8.083 9 HA LYS 2 HA LYS 2 6.160 -8.524 -8.524 10 1HB LYS 2 2HB LYS 2 6.717 -8.040 -8.040 11 2HB LYS 2 1HB LYS 2 6.534 -6.354 -6.354 12 1HG LYS 2 2HG LYS 2 8.423 -6.384 -6.384 13 2HG LYS 2 1HG LYS 2 8.192 -8.066 -8.066 14 1HD LYS 2 2HD LYS 2 9.155 -7.122 -7.122 15 2HD LYS 2 1HD LYS 2 10.165 -7.838 -7.838 16 1HE LYS 2 2HE LYS 2 8.479 -9.834 -9.834 17 2HE LYS 2 1HE LYS 2 8.044 -9.158 -9.158 18 1HZ LYS 2 3HZ LYS 2 10.651 -8.972 -8.972 19 2HZ LYS 2 2HZ LYS 2 10.593 -10.279 -10.279 20 3HZ LYS 2 1HZ LYS 2 9.838 -10.396 -10.396 21 H VAL 3 H VAL 3 6.301 -7.107 -7.107 22 HA VAL 3 HA VAL 3 4.701 -4.576 -4.576 23 HB VAL 3 HB VAL 3 4.755 -6.790 -6.790 24 1HG1 VAL 3 1HG1 VAL 3 4.802 -3.923 -3.923 25 2HG1 VAL 3 3HG1 VAL 3 3.440 -4.806 -4.806 26 3HG1 VAL 3 2HG1 VAL 3 5.097 -5.331 -5.331 27 1HG2 VAL 3 1HG2 VAL 3 2.681 -4.995 -4.995 28 2HG2 VAL 3 3HG2 VAL 3 2.881 -6.734 -6.734 29 3HG2 VAL 3 2HG2 VAL 3 2.298 -6.095 -6.095 30 H VAL 4 H VAL 4 5.765 -2.745 -2.745 31 HA VAL 4 HA VAL 4 8.333 -3.139 -3.139 32 HB VAL 4 HB VAL 4 7.717 -1.469 -1.469 33 1HG1 VAL 4 3HG1 VAL 4 9.525 -0.884 -0.884 34 2HG1 VAL 4 2HG1 VAL 4 10.430 -1.160 -1.160 35 3HG1 VAL 4 1HG1 VAL 4 9.175 0.079 0.079 36 1HG2 VAL 4 2HG2 VAL 4 8.887 -4.014 -4.014 37 2HG2 VAL 4 1HG2 VAL 4 8.782 -3.116 -3.116 38 3HG2 VAL 4 3HG2 VAL 4 10.191 -2.924 -2.924 39 H TYR 5 H TYR 5 8.402 -2.107 -2.107 40 HA TYR 5 HA TYR 5 6.377 -0.077 -0.077 41 1HB TYR 5 2HB TYR 5 8.471 -1.673 -1.673 42 2HB TYR 5 1HB TYR 5 7.265 -0.686 -0.686 43 HD1 TYR 5 2HD TYR 5 4.846 -1.179 -1.179 44 HD2 TYR 5 1HD TYR 5 7.990 -3.886 -3.886 45 HE1 TYR 5 2HE TYR 5 3.245 -3.061 -3.061 46 HE2 TYR 5 1HE TYR 5 6.387 -5.752 -5.752 47 HH TYR 5 HH TYR 5 4.118 -6.211 -6.211 48 H VAL 6 H VAL 6 6.885 2.034 2.034 49 HA VAL 6 HA VAL 6 9.828 2.726 2.726 50 HB VAL 6 HB VAL 6 7.615 4.581 4.581 51 1HG1 VAL 6 2HG1 VAL 6 10.081 5.254 5.254 52 2HG1 VAL 6 1HG1 VAL 6 10.474 4.654 4.654 53 3HG1 VAL 6 3HG1 VAL 6 9.330 5.982 5.982 54 1HG2 VAL 6 1HG2 VAL 6 7.791 2.430 2.430 55 2HG2 VAL 6 3HG2 VAL 6 8.023 3.923 3.923 56 3HG2 VAL 6 2HG2 VAL 6 9.418 2.948 2.948 57 H SER 7 H SER 7 10.389 4.464 4.464 58 HA SER 7 HA SER 7 8.370 4.863 4.863 59 1HB SER 7 2HB SER 7 10.299 4.856 4.856 60 2HB SER 7 1HB SER 7 10.294 3.385 3.385 61 HG SER 7 HG SER 7 11.722 4.596 4.596 62 H HIS 8 H HIS 8 8.113 6.969 6.969 63 HA HIS 8 HA HIS 8 8.488 9.177 9.177 64 1HB HIS 8 2HB HIS 8 8.535 10.409 10.409 65 2HB HIS 8 1HB HIS 8 7.128 9.452 9.452 66 HD1 HIS 8 1HD HIS 8 6.388 8.116 8.116 67 HD2 HIS 8 2HD HIS 8 10.530 8.414 8.414 68 HE1 HIS 8 1HE HIS 8 7.206 6.750 6.750 69 H ASP 9 H ASP 9 10.935 7.578 7.578 70 HA ASP 9 HA ASP 9 12.830 9.831 9.831 71 1HB ASP 9 2HB ASP 9 14.173 8.505 8.505 72 2HB ASP 9 1HB ASP 9 12.510 8.249 8.249 73 H GLY 10 H GLY 10 11.823 7.342 7.342 74 1HA GLY 10 2HA GLY 10 12.822 7.198 7.198 75 2HA GLY 10 1HA GLY 10 14.399 7.449 7.449 76 H THR 11 H THR 11 13.858 5.561 5.561 77 HA THR 11 HA THR 11 14.963 3.213 3.213 78 HB THR 11 HB THR 11 13.796 4.219 4.219 79 HG1 THR 11 1HG THR 11 15.917 3.301 3.301 80 1HG2 THR 11 3HG2 THR 11 11.951 2.552 2.552 81 2HG2 THR 11 2HG2 THR 11 13.163 1.291 1.291 82 3HG2 THR 11 1HG2 THR 11 12.715 2.329 2.329 83 H ARG 12 H ARG 12 14.189 1.608 1.608 84 HA ARG 12 HA ARG 12 11.228 1.411 1.411 85 1HB ARG 12 2HB ARG 12 13.541 1.778 1.778 86 2HB ARG 12 1HB ARG 12 12.517 0.433 0.433 87 1HG ARG 12 2HG ARG 12 10.532 1.971 1.971 88 2HG ARG 12 1HG ARG 12 11.660 3.299 3.299 89 1HD ARG 12 2HD ARG 12 12.615 1.933 1.933 90 2HD ARG 12 1HD ARG 12 10.864 2.124 2.124 91 HE ARG 12 HE ARG 12 12.101 4.533 4.533 92 1HH1 ARG 12 1HH2 ARG 12 9.959 5.115 5.115 93 2HH1 ARG 12 2HH2 ARG 12 10.655 5.401 5.401 94 1HH2 ARG 12 1HH1 ARG 12 13.661 3.849 3.849 95 2HH2 ARG 12 2HH1 ARG 12 12.751 4.683 4.683 96 H ARG 13 H ARG 13 10.405 -0.721 -0.721 97 HA ARG 13 HA ARG 13 12.293 -2.992 -2.992 98 1HB ARG 13 2HB ARG 13 9.970 -3.790 -3.790 99 2HB ARG 13 1HB ARG 13 11.409 -3.198 -3.198 100 1HG ARG 13 2HG ARG 13 9.826 -0.940 -0.940 101 2HG ARG 13 1HG ARG 13 8.789 -2.092 -2.092 102 1HD ARG 13 2HD ARG 13 11.339 -0.821 -0.821 103 2HD ARG 13 1HD ARG 13 9.702 -0.696 -0.696 104 HE ARG 13 HE ARG 13 10.348 -3.454 -3.454 105 1HH1 ARG 13 1HH1 ARG 13 10.054 -0.983 -0.983 106 2HH1 ARG 13 2HH1 ARG 13 11.152 -1.626 -1.626 107 1HH2 ARG 13 1HH2 ARG 13 12.331 -4.133 -4.133 108 2HH2 ARG 13 2HH2 ARG 13 12.440 -3.410 -3.410 109 H GLU 14 H GLU 14 12.063 -4.313 -4.313 110 HA GLU 14 HA GLU 14 9.380 -4.373 -4.373 111 1HB GLU 14 2HB GLU 14 12.068 -5.031 -5.031 112 2HB GLU 14 1HB GLU 14 10.578 -4.594 -4.594 113 1HG GLU 14 2HG GLU 14 11.755 -2.578 -2.578 114 2HG GLU 14 1HG GLU 14 10.787 -2.370 -2.370 115 H LEU 15 H LEU 15 8.331 -6.275 -6.275 116 HA LEU 15 HA LEU 15 9.816 -8.777 -8.777 117 1HB LEU 15 2HB LEU 15 6.991 -7.754 -7.754 118 2HB LEU 15 1HB LEU 15 7.421 -9.437 -9.437 119 HG LEU 15 HG LEU 15 9.275 -8.431 -8.431 120 1HD1 LEU 15 3HD1 LEU 15 7.515 -6.151 -6.151 121 2HD1 LEU 15 2HD1 LEU 15 8.144 -6.302 -6.302 122 3HD1 LEU 15 1HD1 LEU 15 9.261 -6.177 -6.177 123 1HD2 LEU 15 1HD2 LEU 15 7.182 -9.635 -9.635 124 2HD2 LEU 15 3HD2 LEU 15 7.772 -8.409 -8.409 125 3HD2 LEU 15 2HD2 LEU 15 6.406 -8.052 -8.052 126 H ASP 16 H ASP 16 8.286 -10.664 -10.664 127 HA ASP 16 HA ASP 16 7.596 -10.236 -10.236 128 1HB ASP 16 2HB ASP 16 9.574 -11.639 -11.639 129 2HB ASP 16 1HB ASP 16 8.856 -12.571 -12.571 130 H VAL 17 H VAL 17 5.410 -9.808 -9.808 131 HA VAL 17 HA VAL 17 3.978 -11.763 -11.763 132 HB VAL 17 HB VAL 17 3.011 -9.188 -9.188 133 1HG1 VAL 17 3HG1 VAL 17 2.226 -10.705 -10.705 134 2HG1 VAL 17 2HG1 VAL 17 1.556 -9.147 -9.147 135 3HG1 VAL 17 1HG1 VAL 17 1.275 -10.579 -10.579 136 1HG2 VAL 17 1HG2 VAL 17 4.655 -9.659 -9.659 137 2HG2 VAL 17 3HG2 VAL 17 5.027 -8.596 -8.596 138 3HG2 VAL 17 2HG2 VAL 17 3.711 -8.190 -8.190 139 H ALA 18 H ALA 18 1.712 -12.326 -12.326 140 HA ALA 18 HA ALA 18 1.632 -12.731 -12.731 141 1HB ALA 18 1HB ALA 18 2.477 -14.723 -14.723 142 2HB ALA 18 3HB ALA 18 0.969 -14.755 -14.755 143 3HB ALA 18 2HB ALA 18 0.950 -15.040 -15.040 144 H ASP 19 H ASP 19 -0.795 -14.436 -14.436 145 HA ASP 19 HA ASP 19 -2.753 -12.236 -12.236 146 1HB ASP 19 2HB ASP 19 -4.085 -13.713 -13.713 147 2HB ASP 19 1HB ASP 19 -2.447 -14.112 -14.112 148 H GLY 20 H GLY 20 -3.843 -11.887 -11.887 149 1HA GLY 20 2HA GLY 20 -5.394 -12.802 -12.802 150 2HA GLY 20 1HA GLY 20 -4.330 -14.200 -14.200 151 H VAL 21 H VAL 21 -2.159 -11.796 -11.796 152 HA VAL 21 HA VAL 21 -1.954 -11.595 -11.595 153 HB VAL 21 HB VAL 21 -0.032 -10.826 -10.826 154 1HG1 VAL 21 2HG1 VAL 21 0.297 -11.172 -11.172 155 2HG1 VAL 21 1HG1 VAL 21 1.640 -10.962 -10.962 156 3HG1 VAL 21 3HG1 VAL 21 0.457 -9.672 -9.672 157 1HG2 VAL 21 3HG2 VAL 21 -0.586 -13.400 -13.400 158 2HG2 VAL 21 2HG2 VAL 21 -0.033 -13.122 -13.122 159 3HG2 VAL 21 1HG2 VAL 21 1.104 -12.988 -12.988 160 H SER 22 H SER 22 -1.147 -9.488 -9.488 161 HA SER 22 HA SER 22 -2.370 -7.149 -7.149 162 1HB SER 22 2HB SER 22 -2.205 -6.698 -6.698 163 2HB SER 22 1HB SER 22 -3.661 -6.984 -6.984 164 HG SER 22 HG SER 22 -3.601 -8.596 -8.596 165 H LEU 23 H LEU 23 -1.233 -5.012 -5.012 166 HA LEU 23 HA LEU 23 1.606 -5.234 -5.234 167 1HB LEU 23 2HB LEU 23 -0.045 -2.960 -2.960 168 2HB LEU 23 1HB LEU 23 1.592 -2.829 -2.829 169 HG LEU 23 HG LEU 23 -0.943 -3.077 -3.077 170 1HD1 LEU 23 3HD1 LEU 23 0.805 -1.095 -1.095 171 2HD1 LEU 23 2HD1 LEU 23 1.615 -1.932 -1.932 172 3HD1 LEU 23 1HD1 LEU 23 -0.037 -1.344 -1.344 173 1HD2 LEU 23 2HD2 LEU 23 1.626 -4.464 -4.464 174 2HD2 LEU 23 1HD2 LEU 23 -0.018 -5.093 -5.093 175 3HD2 LEU 23 3HD2 LEU 23 0.511 -3.877 -3.877 176 H MET 24 H MET 24 -0.465 -5.660 -5.660 177 HA MET 24 HA MET 24 1.572 -5.130 -5.130 178 1HB MET 24 2HB MET 24 -0.566 -4.749 -4.749 179 2HB MET 24 1HB MET 24 -1.265 -6.059 -6.059 180 1HG MET 24 2HG MET 24 -0.949 -7.546 -7.546 181 2HG MET 24 1HG MET 24 0.693 -6.976 -6.976 182 1HE MET 24 3HE MET 24 -1.132 -8.051 -8.051 183 2HE MET 24 2HE MET 24 0.221 -7.261 -7.261 184 3HE MET 24 1HE MET 24 -1.427 -6.936 -6.936 185 H GLN 25 H GLN 25 -0.320 -7.977 -7.977 186 HA GLN 25 HA GLN 25 0.950 -10.006 -10.006 187 1HB GLN 25 2HB GLN 25 -0.979 -9.986 -9.986 188 2HB GLN 25 1HB GLN 25 0.147 -9.852 -9.852 189 1HG GLN 25 2HG GLN 25 0.899 -12.048 -12.048 190 2HG GLN 25 1HG GLN 25 0.434 -12.117 -12.117 191 1HE2 GLN 25 2HE2 GLN 25 -3.017 -12.008 -12.008 192 2HE2 GLN 25 1HE2 GLN 25 -2.010 -10.648 -10.648 193 H ALA 26 H ALA 26 1.932 -9.425 -9.425 194 HA ALA 26 HA ALA 26 4.346 -10.832 -10.832 195 1HB ALA 26 1HB ALA 26 3.319 -8.338 -8.338 196 2HB ALA 26 3HB ALA 26 5.036 -8.716 -8.716 197 3HB ALA 26 2HB ALA 26 3.790 -9.873 -9.873 198 H ALA 27 H ALA 27 4.236 -7.306 -7.306 199 HA ALA 27 HA ALA 27 6.784 -6.887 -6.887 200 1HB ALA 27 1HB ALA 27 4.765 -5.331 -5.331 201 2HB ALA 27 3HB ALA 27 4.260 -5.683 -5.683 202 3HB ALA 27 2HB ALA 27 5.796 -4.881 -4.881 203 H VAL 28 H VAL 28 3.846 -7.724 -7.724 204 HA VAL 28 HA VAL 28 4.662 -7.905 -7.905 205 HB VAL 28 HB VAL 28 2.634 -8.855 -8.855 206 1HG1 VAL 28 2HG1 VAL 28 3.714 -10.942 -10.942 207 2HG1 VAL 28 1HG1 VAL 28 2.005 -10.917 -10.917 208 3HG1 VAL 28 3HG1 VAL 28 3.228 -11.132 -11.132 209 1HG2 VAL 28 3HG2 VAL 28 2.511 -7.399 -7.399 210 2HG2 VAL 28 2HG2 VAL 28 1.206 -8.555 -8.555 211 3HG2 VAL 28 1HG2 VAL 28 2.476 -8.917 -8.917 212 H SER 29 H SER 29 4.828 -10.587 -10.587 213 HA SER 29 HA SER 29 6.296 -12.449 -12.449 214 1HB SER 29 2HB SER 29 5.858 -13.480 -13.480 215 2HB SER 29 1HB SER 29 5.431 -11.933 -11.933 216 HG SER 29 HG SER 29 7.188 -12.138 -12.138 217 H ASN 30 H ASN 30 7.432 -9.989 -9.989 218 HA ASN 30 HA ASN 30 10.233 -10.354 -10.354 219 1HB ASN 30 2HB ASN 30 8.255 -8.406 -8.406 220 2HB ASN 30 1HB ASN 30 9.793 -7.693 -7.693 221 1HD2 ASN 30 2HD2 ASN 30 9.616 -10.337 -10.337 222 2HD2 ASN 30 1HD2 ASN 30 8.381 -10.352 -10.352 223 H GLY 31 H GLY 31 7.810 -9.268 -9.268 224 1HA GLY 31 2HA GLY 31 8.178 -8.707 -8.707 225 2HA GLY 31 1HA GLY 31 9.878 -8.396 -8.396 226 H ILE 32 H ILE 32 8.539 -6.889 -6.889 227 HA ILE 32 HA ILE 32 9.036 -4.257 -4.257 228 HB ILE 32 HB ILE 32 6.640 -5.415 -5.415 229 1HG1 ILE 32 2HG1 ILE 32 9.530 -5.001 -5.001 230 2HG1 ILE 32 1HG1 ILE 32 8.504 -6.406 -6.406 231 1HG2 ILE 32 3HG2 ILE 32 8.015 -2.722 -2.722 232 2HG2 ILE 32 2HG2 ILE 32 6.747 -3.316 -3.316 233 3HG2 ILE 32 1HG2 ILE 32 6.390 -3.006 -3.006 234 1HD1 ILE 32 3HD1 ILE 32 8.208 -3.727 -3.727 235 2HD1 ILE 32 2HD1 ILE 32 8.922 -5.167 -5.167 236 3HD1 ILE 32 1HD1 ILE 32 7.210 -5.146 -5.146 237 H TYR 33 H TYR 33 6.058 -6.028 -6.028 238 HA TYR 33 HA TYR 33 5.191 -3.671 -3.671 239 1HB TYR 33 2HB TYR 33 3.741 -6.022 -6.022 240 2HB TYR 33 1HB TYR 33 2.958 -4.806 -4.806 241 HD1 TYR 33 2HD TYR 33 4.252 -2.336 -2.336 242 HD2 TYR 33 1HD TYR 33 3.113 -5.614 -5.614 243 HE1 TYR 33 2HE TYR 33 4.127 -0.793 -0.793 244 HE2 TYR 33 1HE TYR 33 3.003 -4.100 -4.100 245 HH TYR 33 HH TYR 33 4.005 -0.702 -0.702 246 H ASP 34 H ASP 34 7.029 -4.897 -4.897 247 HA ASP 34 HA ASP 34 6.136 -7.138 -7.138 248 1HB ASP 34 2HB ASP 34 7.851 -6.361 -6.361 249 2HB ASP 34 1HB ASP 34 8.449 -6.104 -6.104 250 H ILE 35 H ILE 35 5.114 -3.905 -3.905 251 HA ILE 35 HA ILE 35 3.907 -3.529 -3.529 252 HB ILE 35 HB ILE 35 4.776 -1.715 -1.715 253 1HG1 ILE 35 2HG1 ILE 35 1.784 -1.388 -1.388 254 2HG1 ILE 35 1HG1 ILE 35 2.650 -1.500 -1.500 255 1HG2 ILE 35 2HG2 ILE 35 3.640 -3.168 -3.168 256 2HG2 ILE 35 1HG2 ILE 35 2.564 -1.781 -1.781 257 3HG2 ILE 35 3HG2 ILE 35 4.287 -1.534 -1.534 258 1HD1 ILE 35 3HD1 ILE 35 3.244 0.487 0.487 259 2HD1 ILE 35 2HD1 ILE 35 2.403 0.854 0.854 260 3HD1 ILE 35 1HD1 ILE 35 4.100 0.375 0.375 261 H VAL 36 H VAL 36 2.638 -5.673 -5.673 262 HA VAL 36 HA VAL 36 0.128 -5.324 -5.324 263 HB VAL 36 HB VAL 36 1.297 -7.909 -7.909 264 1HG1 VAL 36 3HG1 VAL 36 -1.039 -7.129 -7.129 265 2HG1 VAL 36 2HG1 VAL 36 -0.019 -8.159 -8.159 266 3HG1 VAL 36 1HG1 VAL 36 -0.580 -8.735 -8.735 267 1HG2 VAL 36 1HG2 VAL 36 2.095 -6.229 -6.229 268 2HG2 VAL 36 3HG2 VAL 36 3.075 -7.315 -7.315 269 3HG2 VAL 36 2HG2 VAL 36 2.001 -7.973 -7.973 270 H GLY 37 H GLY 37 -0.496 -4.045 -4.045 271 1HA GLY 37 2HA GLY 37 -1.470 -5.945 -5.945 272 2HA GLY 37 1HA GLY 37 -0.953 -4.299 -4.299 273 H ASP 38 H ASP 38 -2.449 -4.020 -4.020 274 HA ASP 38 HA ASP 38 -5.114 -3.497 -3.497 275 1HB ASP 38 2HB ASP 38 -4.093 -2.035 -2.035 276 2HB ASP 38 1HB ASP 38 -5.199 -1.475 -1.475 277 H CYS 39 H CYS 39 -3.782 -3.741 -3.741 278 HA CYS 39 HA CYS 39 -6.153 -4.859 -4.859 279 1HB CYS 39 2HB CYS 39 -4.497 -5.289 -5.289 280 2HB CYS 39 1HB CYS 39 -4.562 -3.641 -3.641 281 H GLY 40 H GLY 40 -3.147 -6.328 -6.328 282 1HA GLY 40 2HA GLY 40 -2.563 -8.609 -8.609 283 2HA GLY 40 1HA GLY 40 -4.251 -8.814 -8.814 284 H GLY 41 H GLY 41 -3.365 -7.501 -7.501 285 1HA GLY 41 2HA GLY 41 -3.443 -8.440 -8.440 286 2HA GLY 41 1HA GLY 41 -3.695 -10.029 -10.029 287 H SER 42 H SER 42 -5.635 -7.149 -7.149 288 HA SER 42 HA SER 42 -7.884 -8.332 -8.332 289 1HB SER 42 2HB SER 42 -9.226 -8.558 -8.558 290 2HB SER 42 1HB SER 42 -7.641 -8.930 -8.930 291 HG SER 42 HG SER 42 -8.288 -7.379 -7.379 292 H ALA 43 H ALA 43 -6.084 -5.666 -5.666 293 HA ALA 43 HA ALA 43 -6.444 -3.455 -3.455 294 1HB ALA 43 3HB ALA 43 -8.076 -4.843 -4.843 295 2HB ALA 43 2HB ALA 43 -9.321 -4.183 -4.183 296 3HB ALA 43 1HB ALA 43 -8.309 -3.101 -3.101 297 H SER 44 H SER 44 -6.373 -3.561 -3.561 298 HA SER 44 HA SER 44 -8.566 -1.742 -1.742 299 1HB SER 44 2HB SER 44 -7.327 -3.550 -3.550 300 2HB SER 44 1HB SER 44 -9.014 -3.080 -3.080 301 HG SER 44 HG SER 44 -8.460 -5.331 -5.331 302 H CYS 45 H CYS 45 -5.778 -1.325 -1.325 303 HA CYS 45 HA CYS 45 -4.457 -0.450 -0.450 304 1HB CYS 45 2HB CYS 45 -2.383 -0.460 -0.460 305 2HB CYS 45 1HB CYS 45 -3.035 -1.956 -1.956 306 H ALA 46 H ALA 46 -3.365 1.471 1.471 307 HA ALA 46 HA ALA 46 -4.166 3.649 3.649 308 1HB ALA 46 2HB ALA 46 -3.522 3.569 3.569 309 2HB ALA 46 1HB ALA 46 -3.745 5.071 5.071 310 3HB ALA 46 3HB ALA 46 -5.082 3.930 3.930 311 H THR 47 H THR 47 -1.618 1.663 1.663 312 HA THR 47 HA THR 47 0.451 3.780 3.780 313 HB THR 47 HB THR 47 0.416 2.371 2.371 314 HG1 THR 47 1HG THR 47 2.593 2.181 2.181 315 1HG2 THR 47 3HG2 THR 47 -0.255 0.317 0.317 316 2HG2 THR 47 2HG2 THR 47 1.494 0.093 0.093 317 3HG2 THR 47 1HG2 THR 47 0.626 0.077 0.077 318 H CYS 48 H CYS 48 -0.684 0.626 0.626 319 HA CYS 48 HA CYS 48 1.579 0.358 0.358 320 1HB CYS 48 2HB CYS 48 -1.072 -0.936 -0.936 321 2HB CYS 48 1HB CYS 48 0.536 -1.558 -1.558 322 H HIS 49 H HIS 49 -0.643 2.744 2.744 323 HA HIS 49 HA HIS 49 -1.915 2.882 2.882 324 1HB HIS 49 2HB HIS 49 -1.885 4.598 4.598 325 2HB HIS 49 1HB HIS 49 -0.281 5.091 5.091 326 HD1 HIS 49 1HD HIS 49 -1.482 7.453 7.453 327 HD2 HIS 49 2HD HIS 49 -2.665 4.191 4.191 328 HE1 HIS 49 1HE HIS 49 -2.725 8.392 8.392 329 H VAL 50 H VAL 50 -1.225 3.204 3.204 330 HA VAL 50 HA VAL 50 1.656 3.758 3.758 331 HB VAL 50 HB VAL 50 1.597 1.834 1.834 332 1HG1 VAL 50 2HG1 VAL 50 1.490 1.554 1.554 333 2HG1 VAL 50 1HG1 VAL 50 1.525 0.083 0.083 334 3HG1 VAL 50 3HG1 VAL 50 2.828 1.263 1.263 335 1HG2 VAL 50 1HG2 VAL 50 -0.968 1.838 1.838 336 2HG2 VAL 50 3HG2 VAL 50 -0.171 0.263 0.263 337 3HG2 VAL 50 2HG2 VAL 50 -0.803 0.931 0.931 338 H TYR 51 H TYR 51 2.034 4.378 4.378 339 HA TYR 51 HA TYR 51 -0.400 5.421 5.421 340 1HB TYR 51 2HB TYR 51 2.347 6.477 6.477 341 2HB TYR 51 1HB TYR 51 1.471 7.089 7.089 342 HD1 TYR 51 1HD TYR 51 -1.045 6.196 6.196 343 HD2 TYR 51 2HD TYR 51 2.035 9.164 9.164 344 HE1 TYR 51 1HE TYR 51 -2.341 7.786 7.786 345 HE2 TYR 51 2HE TYR 51 0.723 10.750 10.750 346 HH TYR 51 HH TYR 51 -1.460 11.134 11.134 347 H VAL 52 H VAL 52 -0.707 4.378 4.378 348 HA VAL 52 HA VAL 52 1.450 2.754 2.754 349 HB VAL 52 HB VAL 52 -1.375 3.317 3.317 350 1HG1 VAL 52 1HG1 VAL 52 0.193 2.267 2.267 351 2HG1 VAL 52 3HG1 VAL 52 0.460 0.951 0.951 352 3HG1 VAL 52 2HG1 VAL 52 -1.142 1.204 1.204 353 1HG2 VAL 52 2HG2 VAL 52 -0.394 1.866 1.866 354 2HG2 VAL 52 1HG2 VAL 52 -2.061 2.164 2.164 355 3HG2 VAL 52 3HG2 VAL 52 -1.192 0.765 0.765 356 H ASN 53 H ASN 53 1.877 3.053 3.053 357 HA ASN 53 HA ASN 53 2.442 5.889 5.889 358 1HB ASN 53 2HB ASN 53 3.381 4.874 4.874 359 2HB ASN 53 1HB ASN 53 4.125 4.382 4.382 360 1HD2 ASN 53 2HD2 ASN 53 3.579 1.261 1.261 361 2HD2 ASN 53 1HD2 ASN 53 4.548 2.643 2.643 362 H GLU 54 H GLU 54 1.940 5.438 5.438 363 HA GLU 54 HA GLU 54 -0.885 6.345 6.345 364 1HB GLU 54 2HB GLU 54 -0.307 7.223 7.223 365 2HB GLU 54 1HB GLU 54 0.700 7.856 7.856 366 1HG GLU 54 2HG GLU 54 1.814 5.389 5.389 367 2HG GLU 54 1HG GLU 54 1.582 6.551 6.551 368 H ALA 55 H ALA 55 1.039 3.751 3.751 369 HA ALA 55 HA ALA 55 -1.322 2.982 2.982 370 1HB ALA 55 3HB ALA 55 1.589 2.169 2.169 371 2HB ALA 55 2HB ALA 55 0.418 1.405 1.405 372 3HB ALA 55 1HB ALA 55 0.772 3.125 3.125 373 H PHE 56 H PHE 56 -1.056 2.386 2.386 374 HA PHE 56 HA PHE 56 -1.807 -0.489 -0.489 375 1HB PHE 56 2HB PHE 56 0.138 0.636 0.636 376 2HB PHE 56 1HB PHE 56 -0.384 -1.045 -1.045 377 HD1 PHE 56 1HD PHE 56 1.442 1.653 1.653 378 HD2 PHE 56 2HD PHE 56 0.507 -2.565 -2.565 379 HE1 PHE 56 1HE PHE 56 3.107 1.316 1.316 380 HE2 PHE 56 2HE PHE 56 2.175 -2.863 -2.863 381 HZ PHE 56 HZ PHE 56 3.475 -0.941 -0.941 382 H THR 57 H THR 57 -2.233 2.562 2.562 383 HA THR 57 HA THR 57 -3.967 1.523 1.523 384 HB THR 57 HB THR 57 -3.727 3.629 3.629 385 HG1 THR 57 1HG THR 57 -5.210 4.689 4.689 386 1HG2 THR 57 2HG2 THR 57 -1.501 3.158 3.158 387 2HG2 THR 57 1HG2 THR 57 -2.065 4.537 4.537 388 3HG2 THR 57 3HG2 THR 57 -1.758 4.707 4.707 389 H ASP 58 H ASP 58 -4.360 3.462 3.462 390 HA ASP 58 HA ASP 58 -7.252 3.450 3.450 391 1HB ASP 58 2HB ASP 58 -6.244 3.557 3.557 392 2HB ASP 58 1HB ASP 58 -6.860 4.884 4.884 393 H LYS 59 H LYS 59 -4.918 1.070 1.070 394 HA LYS 59 HA LYS 59 -6.434 -0.586 -0.586 395 1HB LYS 59 2HB LYS 59 -4.290 -1.409 -1.409 396 2HB LYS 59 1HB LYS 59 -4.598 -2.076 -2.076 397 1HG LYS 59 2HG LYS 59 -3.331 0.576 0.576 398 2HG LYS 59 1HG LYS 59 -2.689 -0.714 -0.714 399 1HD LYS 59 2HD LYS 59 -5.076 -0.064 -0.064 400 2HD LYS 59 1HD LYS 59 -4.462 1.501 1.501 401 1HE LYS 59 2HE LYS 59 -3.012 1.479 1.479 402 2HE LYS 59 1HE LYS 59 -2.241 0.039 0.039 403 1HZ LYS 59 1HZ LYS 59 -4.246 -1.198 -1.198 404 2HZ LYS 59 3HZ LYS 59 -4.493 0.176 0.176 405 3HZ LYS 59 2HZ LYS 59 -3.045 -0.701 -0.701 406 H VAL 60 H VAL 60 -5.387 -0.791 -0.791 407 HA VAL 60 HA VAL 60 -7.019 -3.034 -3.034 408 HB VAL 60 HB VAL 60 -4.662 -1.867 -1.867 409 1HG1 VAL 60 3HG1 VAL 60 -5.811 0.038 0.038 410 2HG1 VAL 60 2HG1 VAL 60 -6.412 -1.060 -1.060 411 3HG1 VAL 60 1HG1 VAL 60 -4.677 -0.792 -0.792 412 1HG2 VAL 60 3HG2 VAL 60 -6.343 -3.615 -3.615 413 2HG2 VAL 60 2HG2 VAL 60 -5.175 -4.102 -4.102 414 3HG2 VAL 60 1HG2 VAL 60 -4.620 -3.318 -3.318 415 HA PRO 61 HA PRO 61 -10.641 -0.740 -0.740 416 1HB PRO 61 2HB PRO 61 -11.753 -2.563 -2.563 417 2HB PRO 61 1HB PRO 61 -11.785 -2.722 -2.722 418 1HG PRO 61 2HG PRO 61 -9.981 -4.020 -4.020 419 2HG PRO 61 1HG PRO 61 -10.732 -4.706 -4.706 420 1HD PRO 61 2HD PRO 61 -8.136 -3.932 -3.932 421 2HD PRO 61 1HD PRO 61 -9.126 -3.835 -3.835 422 H ALA 62 H ALA 62 -11.699 0.176 0.176 423 HA ALA 62 HA ALA 62 -9.843 1.138 1.138 424 1HB ALA 62 3HB ALA 62 -12.102 1.966 1.966 425 2HB ALA 62 2HB ALA 62 -12.673 1.797 1.797 426 3HB ALA 62 1HB ALA 62 -11.309 2.858 2.858 427 H ALA 63 H ALA 63 -11.176 1.402 1.402 428 HA ALA 63 HA ALA 63 -11.781 -1.392 -1.392 429 1HB ALA 63 2HB ALA 63 -10.725 1.055 1.055 430 2HB ALA 63 1HB ALA 63 -11.010 -0.509 -0.509 431 3HB ALA 63 3HB ALA 63 -9.783 -0.352 -0.352 432 H ASN 64 H ASN 64 -13.016 -0.979 -0.979 433 HA ASN 64 HA ASN 64 -15.577 0.337 0.337 434 1HB ASN 64 2HB ASN 64 -16.300 -1.018 -1.018 435 2HB ASN 64 1HB ASN 64 -15.995 -1.875 -1.875 436 1HD2 ASN 64 2HD2 ASN 64 -12.853 -2.051 -2.051 437 2HD2 ASN 64 1HD2 ASN 64 -13.558 -0.548 -0.548 438 H GLU 65 H GLU 65 -16.670 0.765 0.765 439 HA GLU 65 HA GLU 65 -15.645 3.326 3.326 440 1HB GLU 65 2HB GLU 65 -17.323 3.187 3.187 441 2HB GLU 65 1HB GLU 65 -17.950 2.264 2.264 442 1HG GLU 65 2HG GLU 65 -16.503 0.362 0.362 443 2HG GLU 65 1HG GLU 65 -17.175 1.341 1.341 444 H ARG 66 H ARG 66 -14.698 0.102 0.102 445 HA ARG 66 HA ARG 66 -13.474 0.725 0.725 446 1HB ARG 66 2HB ARG 66 -13.750 -1.479 -1.479 447 2HB ARG 66 1HB ARG 66 -12.021 -1.257 -1.257 448 1HG ARG 66 2HG ARG 66 -12.344 -1.348 -1.348 449 2HG ARG 66 1HG ARG 66 -14.101 -1.407 -1.407 450 1HD ARG 66 2HD ARG 66 -12.154 -3.508 -3.508 451 2HD ARG 66 1HD ARG 66 -13.201 -3.680 -3.680 452 HE ARG 66 HE ARG 66 -15.147 -3.307 -3.307 453 1HH1 ARG 66 1HH1 ARG 66 -12.293 -3.349 -3.349 454 2HH1 ARG 66 2HH1 ARG 66 -12.801 -4.551 -4.551 455 1HH2 ARG 66 1HH2 ARG 66 -15.724 -5.311 -5.311 456 2HH2 ARG 66 2HH2 ARG 66 -14.744 -5.662 -5.662 457 H GLU 67 H GLU 67 -11.982 0.275 0.275 458 HA GLU 67 HA GLU 67 -9.401 1.216 1.216 459 1HB GLU 67 2HB GLU 67 -9.696 -0.026 -0.026 460 2HB GLU 67 1HB GLU 67 -11.058 0.963 0.963 461 1HG GLU 67 2HG GLU 67 -9.004 1.431 1.431 462 2HG GLU 67 1HG GLU 67 -9.561 2.849 2.849 463 H ILE 68 H ILE 68 -12.182 3.097 3.097 464 HA ILE 68 HA ILE 68 -10.962 5.526 5.526 465 HB ILE 68 HB ILE 68 -13.560 5.238 5.238 466 1HG1 ILE 68 2HG1 ILE 68 -13.662 3.449 3.449 467 2HG1 ILE 68 1HG1 ILE 68 -14.565 4.782 4.782 468 1HG2 ILE 68 3HG2 ILE 68 -12.483 7.088 7.088 469 2HG2 ILE 68 2HG2 ILE 68 -14.217 6.929 6.929 470 3HG2 ILE 68 1HG2 ILE 68 -13.156 7.499 7.499 471 1HD1 ILE 68 3HD1 ILE 68 -11.929 5.226 5.226 472 2HD1 ILE 68 2HD1 ILE 68 -12.137 3.480 3.480 473 3HD1 ILE 68 1HD1 ILE 68 -13.228 4.569 4.569 474 H GLY 69 H GLY 69 -11.913 4.238 4.238 475 1HA GLY 69 2HA GLY 69 -10.984 6.661 6.661 476 2HA GLY 69 1HA GLY 69 -11.605 5.208 5.208 477 H MET 70 H MET 70 -10.020 3.213 3.213 478 HA MET 70 HA MET 70 -7.632 3.451 3.451 479 1HB MET 70 2HB MET 70 -6.889 1.549 1.549 480 2HB MET 70 1HB MET 70 -8.364 1.270 1.270 481 1HG MET 70 2HG MET 70 -9.407 2.482 2.482 482 2HG MET 70 1HG MET 70 -7.967 1.777 1.777 483 1HE MET 70 3HE MET 70 -7.644 0.030 0.030 484 2HE MET 70 2HE MET 70 -7.380 -1.036 -1.036 485 3HE MET 70 1HE MET 70 -8.482 -1.538 -1.538 486 H LEU 71 H LEU 71 -8.188 3.864 3.864 487 HA LEU 71 HA LEU 71 -5.471 4.550 4.550 488 1HB LEU 71 2HB LEU 71 -7.368 3.488 3.488 489 2HB LEU 71 1HB LEU 71 -8.115 5.094 5.094 490 HG LEU 71 HG LEU 71 -5.732 4.093 4.093 491 1HD1 LEU 71 3HD1 LEU 71 -8.278 5.452 5.452 492 2HD1 LEU 71 2HD1 LEU 71 -6.929 6.265 6.265 493 3HD1 LEU 71 1HD1 LEU 71 -7.258 4.560 4.560 494 1HD2 LEU 71 2HD2 LEU 71 -6.015 6.954 6.954 495 2HD2 LEU 71 1HD2 LEU 71 -4.668 5.862 5.862 496 3HD2 LEU 71 3HD2 LEU 71 -4.957 6.441 6.441 497 H GLU 72 H GLU 72 -8.415 6.329 6.329 498 HA GLU 72 HA GLU 72 -7.400 8.962 8.962 499 1HB GLU 72 2HB GLU 72 -9.746 8.717 8.717 500 2HB GLU 72 1HB GLU 72 -9.621 7.821 7.821 501 1HG GLU 72 2HG GLU 72 -9.649 9.715 9.715 502 2HG GLU 72 1HG GLU 72 -8.404 10.464 10.464 503 H CYS 73 H CYS 73 -6.923 6.771 6.771 504 HA CYS 73 HA CYS 73 -6.351 8.456 8.456 505 1HB CYS 73 2HB CYS 73 -4.842 6.014 6.014 506 2HB CYS 73 1HB CYS 73 -4.757 6.648 6.648 507 HG CYS 73 HG CYS 73 -7.128 5.861 5.861 508 H VAL 74 H VAL 74 -4.660 8.059 8.059 509 HA VAL 74 HA VAL 74 -2.256 9.508 9.508 510 HB VAL 74 HB VAL 74 -1.490 9.002 9.002 511 1HG1 VAL 74 1HG1 VAL 74 -2.215 7.114 7.114 512 2HG1 VAL 74 3HG1 VAL 74 -2.817 6.445 6.445 513 3HG1 VAL 74 2HG1 VAL 74 -1.110 6.856 6.856 514 1HG2 VAL 74 2HG2 VAL 74 -4.346 8.926 8.926 515 2HG2 VAL 74 1HG2 VAL 74 -3.026 9.024 9.024 516 3HG2 VAL 74 3HG2 VAL 74 -3.577 7.453 7.453 517 H THR 75 H THR 75 -3.647 11.456 11.456 518 HA THR 75 HA THR 75 -5.188 13.031 13.031 519 HB THR 75 HB THR 75 -4.652 13.339 13.339 520 HG1 THR 75 1HG THR 75 -4.595 15.618 15.618 521 1HG2 THR 75 1HG2 THR 75 -1.999 13.493 13.493 522 2HG2 THR 75 3HG2 THR 75 -2.355 14.992 14.992 523 3HG2 THR 75 2HG2 THR 75 -2.481 13.441 13.441 524 H ALA 76 H ALA 76 -3.695 12.354 12.354 525 HA ALA 76 HA ALA 76 -1.848 14.663 14.663 526 1HB ALA 76 1HB ALA 76 -0.645 12.574 12.574 527 2HB ALA 76 3HB ALA 76 -1.542 11.746 11.746 528 3HB ALA 76 2HB ALA 76 -0.413 13.041 13.041 529 H GLU 77 H GLU 77 -4.462 14.916 14.916 530 HA GLU 77 HA GLU 77 -5.939 14.984 14.984 531 1HB GLU 77 2HB GLU 77 -4.903 16.268 16.268 532 2HB GLU 77 1HB GLU 77 -4.257 16.823 16.823 533 1HG GLU 77 2HG GLU 77 -2.771 14.647 14.647 534 2HG GLU 77 1HG GLU 77 -2.668 16.270 16.270 535 H LEU 78 H LEU 78 -5.698 12.463 12.463 536 HA LEU 78 HA LEU 78 -4.537 10.498 10.498 537 1HB LEU 78 2HB LEU 78 -7.110 11.063 11.063 538 2HB LEU 78 1HB LEU 78 -7.339 10.479 10.479 539 HG LEU 78 HG LEU 78 -6.015 8.479 8.479 540 1HD1 LEU 78 2HD1 LEU 78 -4.959 10.050 10.050 541 2HD1 LEU 78 1HD1 LEU 78 -5.900 8.818 8.818 542 3HD1 LEU 78 3HD1 LEU 78 -4.625 8.341 8.341 543 1HD2 LEU 78 1HD2 LEU 78 -8.440 9.220 9.220 544 2HD2 LEU 78 3HD2 LEU 78 -8.092 7.765 7.765 545 3HD2 LEU 78 2HD2 LEU 78 -7.543 7.895 7.895 546 H LYS 79 H LYS 79 -4.092 9.755 9.755 547 HA LYS 79 HA LYS 79 -4.566 11.651 11.651 548 1HB LYS 79 2HB LYS 79 -3.166 8.990 8.990 549 2HB LYS 79 1HB LYS 79 -2.796 10.496 10.496 550 1HG LYS 79 2HG LYS 79 -2.512 10.929 10.929 551 2HG LYS 79 1HG LYS 79 -1.605 9.490 9.490 552 1HD LYS 79 2HD LYS 79 0.009 10.851 10.851 553 2HD LYS 79 1HD LYS 79 -1.088 11.309 11.309 554 1HE LYS 79 2HE LYS 79 -2.110 12.969 12.969 555 2HE LYS 79 1HE LYS 79 -0.615 12.708 12.708 556 1HZ LYS 79 3HZ LYS 79 0.642 13.181 13.181 557 2HZ LYS 79 2HZ LYS 79 -0.810 13.552 13.552 558 3HZ LYS 79 1HZ LYS 79 -0.283 14.513 14.513 559 HA PRO 80 HA PRO 80 -7.782 9.330 9.330 560 1HB PRO 80 2HB PRO 80 -6.952 9.075 9.075 561 2HB PRO 80 1HB PRO 80 -7.579 10.597 10.597 562 1HG PRO 80 2HG PRO 80 -4.757 9.729 9.729 563 2HG PRO 80 1HG PRO 80 -5.506 11.310 11.310 564 1HD PRO 80 2HD PRO 80 -3.993 10.817 10.817 565 2HD PRO 80 1HD PRO 80 -5.386 11.921 11.921 566 H ASN 81 H ASN 81 -4.502 8.229 8.229 567 HA ASN 81 HA ASN 81 -5.415 5.432 5.432 568 1HB ASN 81 2HB ASN 81 -2.926 5.176 5.176 569 2HB ASN 81 1HB ASN 81 -3.819 6.229 6.229 570 1HD2 ASN 81 1HD2 ASN 81 -1.245 6.862 6.862 571 2HD2 ASN 81 2HD2 ASN 81 -0.841 8.195 8.195 572 H SER 82 H SER 82 -4.410 7.429 7.429 573 HA SER 82 HA SER 82 -2.637 5.932 5.932 574 1HB SER 82 2HB SER 82 -5.176 7.402 7.402 575 2HB SER 82 1HB SER 82 -3.887 6.978 6.978 576 HG SER 82 HG SER 82 -2.647 8.102 8.102 577 H ARG 83 H ARG 83 -2.961 4.334 4.334 578 HA ARG 83 HA ARG 83 -5.478 3.019 3.019 579 1HB ARG 83 2HB ARG 83 -4.090 2.366 2.366 580 2HB ARG 83 1HB ARG 83 -3.964 0.982 0.982 581 1HG ARG 83 2HG ARG 83 -6.281 0.736 0.736 582 2HG ARG 83 1HG ARG 83 -6.592 2.361 2.361 583 1HD ARG 83 2HD ARG 83 -5.143 1.136 1.136 584 2HD ARG 83 1HD ARG 83 -6.273 -0.118 -0.118 585 HE ARG 83 HE ARG 83 -7.849 2.082 2.082 586 1HH1 ARG 83 1HH1 ARG 83 -7.294 -0.159 -0.159 587 2HH1 ARG 83 2HH1 ARG 83 -7.432 0.848 0.848 588 1HH2 ARG 83 1HH2 ARG 83 -7.336 3.812 3.812 589 2HH2 ARG 83 2HH2 ARG 83 -7.456 3.098 3.098 590 H LEU 84 H LEU 84 -5.244 1.180 1.180 591 HA LEU 84 HA LEU 84 -2.937 1.392 1.392 592 1HB LEU 84 2HB LEU 84 -5.643 0.437 0.437 593 2HB LEU 84 1HB LEU 84 -4.600 -0.870 -0.870 594 HG LEU 84 HG LEU 84 -4.805 1.924 1.924 595 1HD1 LEU 84 3HD1 LEU 84 -5.806 -0.764 -0.764 596 2HD1 LEU 84 2HD1 LEU 84 -5.049 0.072 0.072 597 3HD1 LEU 84 1HD1 LEU 84 -6.411 0.814 0.814 598 1HD2 LEU 84 3HD2 LEU 84 -2.761 -0.259 -0.259 599 2HD2 LEU 84 2HD2 LEU 84 -2.506 1.481 1.481 600 3HD2 LEU 84 1HD2 LEU 84 -3.129 0.803 0.803 601 H SER 85 H SER 85 -1.186 -0.083 -0.083 602 HA SER 85 HA SER 85 -0.317 -1.590 -1.590 603 1HB SER 85 2HB SER 85 1.253 -2.397 -2.397 604 2HB SER 85 1HB SER 85 0.625 -1.108 -1.108 605 HG SER 85 HG SER 85 0.786 -3.309 -3.309 606 H CYS 86 H CYS 86 -2.694 -2.513 -2.513 607 HA CYS 86 HA CYS 86 -2.920 -5.231 -5.231 608 1HB CYS 86 2HB CYS 86 -4.327 -4.244 -4.244 609 2HB CYS 86 1HB CYS 86 -3.787 -5.869 -5.869 610 H GLN 87 H GLN 87 -3.958 -3.061 -3.061 611 HA GLN 87 HA GLN 87 -6.839 -3.685 -3.685 612 1HB GLN 87 2HB GLN 87 -5.389 -1.141 -1.141 613 2HB GLN 87 1HB GLN 87 -6.727 -1.217 -1.217 614 1HG GLN 87 2HG GLN 87 -6.843 -1.670 -1.670 615 2HG GLN 87 1HG GLN 87 -7.615 -0.379 -0.379 616 1HE2 GLN 87 2HE2 GLN 87 -9.300 -4.115 -4.115 617 2HE2 GLN 87 1HE2 GLN 87 -7.699 -3.898 -3.898 618 H ILE 88 H ILE 88 -4.230 -2.687 -2.687 619 HA ILE 88 HA ILE 88 -5.906 -3.335 -3.335 620 HB ILE 88 HB ILE 88 -2.999 -3.011 -3.011 621 1HG1 ILE 88 2HG1 ILE 88 -4.690 -0.854 -0.854 622 2HG1 ILE 88 1HG1 ILE 88 -3.122 -1.460 -1.460 623 1HG2 ILE 88 1HG2 ILE 88 -5.229 -2.866 -2.866 624 2HG2 ILE 88 3HG2 ILE 88 -4.995 -1.159 -1.159 625 3HG2 ILE 88 2HG2 ILE 88 -3.709 -2.072 -2.072 626 1HD1 ILE 88 1HD1 ILE 88 -3.557 -0.037 -0.037 627 2HD1 ILE 88 3HD1 ILE 88 -3.003 0.770 0.770 628 3HD1 ILE 88 2HD1 ILE 88 -2.013 -0.486 -0.486 629 H ILE 89 H ILE 89 -5.545 -5.035 -5.035 630 HA ILE 89 HA ILE 89 -3.998 -7.333 -7.333 631 HB ILE 89 HB ILE 89 -6.493 -7.034 -7.034 632 1HG1 ILE 89 2HG1 ILE 89 -6.943 -7.025 -7.025 633 2HG1 ILE 89 1HG1 ILE 89 -7.318 -8.657 -8.657 634 1HG2 ILE 89 3HG2 ILE 89 -5.007 -8.750 -8.750 635 2HG2 ILE 89 2HG2 ILE 89 -4.972 -9.601 -9.601 636 3HG2 ILE 89 1HG2 ILE 89 -6.489 -9.442 -9.442 637 1HD1 ILE 89 3HD1 ILE 89 -4.907 -9.259 -9.259 638 2HD1 ILE 89 2HD1 ILE 89 -4.867 -7.712 -7.712 639 3HD1 ILE 89 1HD1 ILE 89 -6.024 -8.952 -8.952 640 H MET 90 H MET 90 -2.912 -8.688 -8.688 641 HA MET 90 HA MET 90 -1.976 -7.066 -7.066 642 1HB MET 90 2HB MET 90 -0.624 -8.212 -8.212 643 2HB MET 90 1HB MET 90 -0.498 -9.474 -9.474 644 1HG MET 90 2HG MET 90 1.395 -7.874 -7.874 645 2HG MET 90 1HG MET 90 0.424 -7.865 -7.865 646 1HE MET 90 3HE MET 90 0.284 -6.318 -6.318 647 2HE MET 90 2HE MET 90 -1.016 -5.179 -5.179 648 3HE MET 90 1HE MET 90 0.656 -4.624 -4.624 649 H THR 91 H THR 91 -3.008 -7.733 -7.733 650 HA THR 91 HA THR 91 -3.941 -10.541 -10.541 651 HB THR 91 HB THR 91 -5.265 -9.700 -9.700 652 HG1 THR 91 1HG THR 91 -4.682 -7.636 -7.636 653 1HG2 THR 91 2HG2 THR 91 -5.162 -8.273 -8.273 654 2HG2 THR 91 1HG2 THR 91 -5.215 -7.034 -7.034 655 3HG2 THR 91 3HG2 THR 91 -6.479 -8.261 -8.261 656 HA PRO 92 HA PRO 92 -0.670 -11.856 -11.856 657 1HB PRO 92 2HB PRO 92 -1.930 -13.252 -13.252 658 2HB PRO 92 1HB PRO 92 -1.774 -13.846 -13.846 659 1HG PRO 92 2HG PRO 92 -4.110 -12.622 -12.622 660 2HG PRO 92 1HG PRO 92 -4.049 -13.901 -13.901 661 1HD PRO 92 2HD PRO 92 -4.708 -11.284 -11.284 662 2HD PRO 92 1HD PRO 92 -4.075 -12.424 -12.424 663 H GLU 93 H GLU 93 -2.953 -9.646 -9.646 664 HA GLU 93 HA GLU 93 -1.306 -9.254 -9.254 665 1HB GLU 93 2HB GLU 93 -3.308 -8.164 -8.164 666 2HB GLU 93 1HB GLU 93 -3.734 -9.752 -9.752 667 1HG GLU 93 2HG GLU 93 -5.424 -8.430 -8.430 668 2HG GLU 93 1HG GLU 93 -4.245 -8.425 -8.425 669 H LEU 94 H LEU 94 -2.839 -7.526 -7.526 670 HA LEU 94 HA LEU 94 -1.745 -4.931 -4.931 671 1HB LEU 94 2HB LEU 94 -3.454 -6.212 -6.212 672 2HB LEU 94 1HB LEU 94 -2.274 -5.231 -5.231 673 HG LEU 94 HG LEU 94 -4.109 -4.341 -4.341 674 1HD1 LEU 94 1HD1 LEU 94 -4.685 -4.595 -4.595 675 2HD1 LEU 94 3HD1 LEU 94 -3.896 -3.019 -3.019 676 3HD1 LEU 94 2HD1 LEU 94 -5.314 -3.258 -3.258 677 1HD2 LEU 94 1HD2 LEU 94 -1.502 -3.443 -3.443 678 2HD2 LEU 94 3HD2 LEU 94 -2.742 -2.570 -2.570 679 3HD2 LEU 94 2HD2 LEU 94 -2.542 -2.275 -2.275 680 H ASP 95 H ASP 95 0.466 -6.542 -6.542 681 HA ASP 95 HA ASP 95 1.873 -6.449 -6.449 682 1HB ASP 95 2HB ASP 95 3.428 -7.951 -7.951 683 2HB ASP 95 1HB ASP 95 1.774 -8.541 -8.541 684 H GLY 96 H GLY 96 4.016 -5.606 -5.606 685 1HA GLY 96 2HA GLY 96 5.889 -4.302 -4.302 686 2HA GLY 96 1HA GLY 96 4.911 -3.820 -3.820 687 H ILE 97 H ILE 97 3.552 -3.778 -3.778 688 HA ILE 97 HA ILE 97 2.913 -0.957 -0.957 689 HB ILE 97 HB ILE 97 1.283 -2.415 -2.415 690 1HG1 ILE 97 2HG1 ILE 97 2.451 -1.012 -1.012 691 2HG1 ILE 97 1HG1 ILE 97 1.767 -0.092 -0.092 692 1HG2 ILE 97 2HG2 ILE 97 3.596 -3.255 -3.255 693 2HG2 ILE 97 1HG2 ILE 97 1.940 -3.492 -3.492 694 3HG2 ILE 97 3HG2 ILE 97 2.493 -4.267 -4.267 695 1HD1 ILE 97 2HD1 ILE 97 0.006 -2.260 -2.260 696 2HD1 ILE 97 1HD1 ILE 97 0.363 -1.250 -1.250 697 3HD1 ILE 97 3HD1 ILE 97 -0.322 -0.528 -0.528 698 H VAL 98 H VAL 98 3.392 0.683 0.683 699 HA VAL 98 HA VAL 98 5.917 0.239 0.239 700 HB VAL 98 HB VAL 98 5.029 2.759 2.759 701 1HG1 VAL 98 2HG1 VAL 98 7.647 1.880 1.880 702 2HG1 VAL 98 1HG1 VAL 98 7.444 3.352 3.352 703 3HG1 VAL 98 3HG1 VAL 98 6.583 3.163 3.163 704 1HG2 VAL 98 1HG2 VAL 98 5.548 0.675 0.675 705 2HG2 VAL 98 3HG2 VAL 98 6.408 2.168 2.168 706 3HG2 VAL 98 2HG2 VAL 98 7.215 0.891 0.891 707 H VAL 99 H VAL 99 5.545 0.633 0.633 708 HA VAL 99 HA VAL 99 3.057 2.126 2.126 709 HB VAL 99 HB VAL 99 4.809 0.818 0.818 710 1HG1 VAL 99 2HG1 VAL 99 1.963 1.452 1.452 711 2HG1 VAL 99 1HG1 VAL 99 2.282 -0.087 -0.087 712 3HG1 VAL 99 3HG1 VAL 99 2.940 1.420 1.420 713 1HG2 VAL 99 3HG2 VAL 99 3.779 -0.576 -0.576 714 2HG2 VAL 99 2HG2 VAL 99 4.952 -1.082 -1.082 715 3HG2 VAL 99 1HG2 VAL 99 3.229 -1.265 -1.265 716 H ASP 100 H ASP 100 3.501 3.094 3.094 717 HA ASP 100 HA ASP 100 6.121 4.263 4.263 718 1HB ASP 100 2HB ASP 100 3.813 5.838 5.838 719 2HB ASP 100 1HB ASP 100 5.072 6.635 6.635 720 H VAL 101 H VAL 101 6.381 4.913 4.913 721 HA VAL 101 HA VAL 101 4.010 4.527 4.527 722 HB VAL 101 HB VAL 101 6.886 5.155 5.155 723 1HG1 VAL 101 3HG1 VAL 101 4.634 5.122 5.122 724 2HG1 VAL 101 2HG1 VAL 101 5.179 3.450 3.450 725 3HG1 VAL 101 1HG1 VAL 101 6.258 4.771 4.771 726 1HG2 VAL 101 2HG2 VAL 101 5.987 2.907 2.907 727 2HG2 VAL 101 1HG2 VAL 101 7.474 3.010 3.010 728 3HG2 VAL 101 3HG2 VAL 101 6.001 2.381 2.381 729 HA PRO 102 HA PRO 102 3.384 8.933 8.933 730 1HB PRO 102 2HB PRO 102 1.284 9.029 9.029 731 2HB PRO 102 1HB PRO 102 1.125 8.488 8.488 732 1HG PRO 102 2HG PRO 102 1.419 6.857 6.857 733 2HG PRO 102 1HG PRO 102 0.316 6.630 6.630 734 1HD PRO 102 2HD PRO 102 2.558 5.184 5.184 735 2HD PRO 102 1HD PRO 102 1.968 5.730 5.730 736 H ASP 103 H ASP 103 3.761 10.770 10.770 737 HA ASP 103 HA ASP 103 5.205 10.001 10.001 738 1HB ASP 103 2HB ASP 103 6.159 12.343 12.343 739 2HB ASP 103 1HB ASP 103 6.545 11.183 11.183 740 H ARG 104 H ARG 104 3.355 9.900 9.900 741 HA ARG 104 HA ARG 104 1.894 12.468 12.468 742 1HB ARG 104 2HB ARG 104 0.963 9.975 9.975 743 2HB ARG 104 1HB ARG 104 0.038 11.193 11.193 744 1HG ARG 104 2HG ARG 104 1.825 9.319 9.319 745 2HG ARG 104 1HG ARG 104 0.257 8.772 8.772 746 1HD ARG 104 2HD ARG 104 0.032 9.673 9.673 747 2HD ARG 104 1HD ARG 104 -0.781 10.768 10.768 748 HE ARG 104 HE ARG 104 1.424 12.083 12.083 749 1HH1 ARG 104 1HH2 ARG 104 -0.003 10.491 10.491 750 2HH1 ARG 104 2HH2 ARG 104 1.054 11.225 11.225 751 1HH2 ARG 104 1HH1 ARG 104 2.927 12.920 12.920 752 2HH2 ARG 104 2HH1 ARG 104 2.701 12.589 12.589 753 H GLN 105 H GLN 105 4.511 12.254 12.254 754 HA GLN 105 HA GLN 105 4.000 11.841 11.841 755 1HB GLN 105 2HB GLN 105 6.416 11.290 11.290 756 2HB GLN 105 1HB GLN 105 5.569 10.236 10.236 757 1HG GLN 105 2HG GLN 105 7.043 10.870 10.870 758 2HG GLN 105 1HG GLN 105 6.332 12.483 12.483 759 1HE2 GLN 105 2HE2 GLN 105 9.513 11.965 11.965 760 2HE2 GLN 105 1HE2 GLN 105 8.279 10.800 10.800 761 H TRP 106 H TRP 106 4.314 14.206 14.206 762 HA TRP 106 HA TRP 106 6.121 15.994 15.994 763 1HB TRP 106 2HB TRP 106 6.266 16.045 16.045 764 2HB TRP 106 1HB TRP 106 4.515 16.159 16.159 765 HD1 TRP 106 HD TRP 106 3.359 18.494 18.494 766 HE1 TRP 106 1HE TRP 106 4.302 20.892 20.892 767 HE3 TRP 106 3HE TRP 106 8.363 17.471 17.471 768 HZ2 TRP 106 2HZ TRP 106 6.847 22.204 22.204 769 HZ3 TRP 106 3HZ TRP 106 10.025 19.311 19.311 770 HH2 TRP 106 HH TRP 106 9.271 21.674 21.674 Start of MODEL 12 1 1H SER 1 3HT SER 1 1.851 -10.973 -10.973 2 2H SER 1 2HT SER 1 1.126 -11.374 -11.374 3 3H SER 1 1HT SER 1 2.768 -11.723 -11.723 4 HA SER 1 HA SER 1 2.582 -9.777 -9.777 5 1HB SER 1 2HB SER 1 1.447 -7.929 -7.929 6 2HB SER 1 1HB SER 1 0.712 -8.547 -8.547 7 HG SER 1 HG SER 1 -0.662 -9.116 -9.116 8 H LYS 2 H LYS 2 4.293 -8.300 -8.300 9 HA LYS 2 HA LYS 2 6.087 -8.561 -8.561 10 1HB LYS 2 2HB LYS 2 6.457 -8.248 -8.248 11 2HB LYS 2 1HB LYS 2 6.393 -6.536 -6.536 12 1HG LYS 2 2HG LYS 2 8.248 -6.739 -6.739 13 2HG LYS 2 1HG LYS 2 8.172 -8.501 -8.501 14 1HD LYS 2 2HD LYS 2 8.575 -8.236 -8.236 15 2HD LYS 2 1HD LYS 2 9.149 -6.623 -6.623 16 1HE LYS 2 2HE LYS 2 10.640 -7.804 -7.804 17 2HE LYS 2 1HE LYS 2 10.279 -9.294 -9.294 18 1HZ LYS 2 1HZ LYS 2 10.785 -7.655 -7.655 19 2HZ LYS 2 3HZ LYS 2 11.788 -6.947 -6.947 20 3HZ LYS 2 2HZ LYS 2 11.998 -8.580 -8.580 21 H VAL 3 H VAL 3 6.373 -7.012 -7.012 22 HA VAL 3 HA VAL 3 4.816 -4.471 -4.471 23 HB VAL 3 HB VAL 3 4.963 -6.526 -6.526 24 1HG1 VAL 3 1HG1 VAL 3 4.573 -3.556 -3.556 25 2HG1 VAL 3 3HG1 VAL 3 3.766 -4.684 -4.684 26 3HG1 VAL 3 2HG1 VAL 3 5.530 -4.655 -4.655 27 1HG2 VAL 3 2HG2 VAL 3 3.087 -5.812 -5.812 28 2HG2 VAL 3 1HG2 VAL 3 2.740 -6.706 -6.706 29 3HG2 VAL 3 3HG2 VAL 3 2.527 -4.955 -4.955 30 H VAL 4 H VAL 4 5.811 -2.629 -2.629 31 HA VAL 4 HA VAL 4 8.563 -2.982 -2.982 32 HB VAL 4 HB VAL 4 7.566 -1.365 -1.365 33 1HG1 VAL 4 2HG1 VAL 4 8.607 0.234 0.234 34 2HG1 VAL 4 1HG1 VAL 4 10.088 -0.718 -0.718 35 3HG1 VAL 4 3HG1 VAL 4 9.488 0.115 0.115 36 1HG2 VAL 4 2HG2 VAL 4 9.513 -3.476 -3.476 37 2HG2 VAL 4 1HG2 VAL 4 8.762 -3.004 -3.004 38 3HG2 VAL 4 3HG2 VAL 4 10.192 -2.149 -2.149 39 H TYR 5 H TYR 5 8.851 -1.899 -1.899 40 HA TYR 5 HA TYR 5 6.705 -0.060 -0.060 41 1HB TYR 5 2HB TYR 5 8.872 -1.737 -1.737 42 2HB TYR 5 1HB TYR 5 7.795 -0.728 -0.728 43 HD1 TYR 5 2HD TYR 5 5.244 -0.934 -0.934 44 HD2 TYR 5 1HD TYR 5 8.271 -3.974 -3.974 45 HE1 TYR 5 2HE TYR 5 3.510 -2.665 -2.665 46 HE2 TYR 5 1HE TYR 5 6.556 -5.652 -5.652 47 HH TYR 5 HH TYR 5 4.207 -6.021 -6.021 48 H VAL 6 H VAL 6 7.130 2.034 2.034 49 HA VAL 6 HA VAL 6 10.036 2.858 2.858 50 HB VAL 6 HB VAL 6 7.692 4.596 4.596 51 1HG1 VAL 6 1HG1 VAL 6 10.445 5.091 5.091 52 2HG1 VAL 6 3HG1 VAL 6 10.223 5.238 5.238 53 3HG1 VAL 6 2HG1 VAL 6 9.254 6.219 6.219 54 1HG2 VAL 6 3HG2 VAL 6 8.653 2.372 2.372 55 2HG2 VAL 6 2HG2 VAL 6 7.709 3.695 3.695 56 3HG2 VAL 6 1HG2 VAL 6 9.469 3.736 3.736 57 H SER 7 H SER 7 10.632 4.470 4.470 58 HA SER 7 HA SER 7 8.697 4.840 4.840 59 1HB SER 7 2HB SER 7 10.749 4.965 4.965 60 2HB SER 7 1HB SER 7 10.678 3.446 3.446 61 HG SER 7 HG SER 7 12.108 5.789 5.789 62 H HIS 8 H HIS 8 8.321 6.997 6.997 63 HA HIS 8 HA HIS 8 8.723 9.104 9.104 64 1HB HIS 8 2HB HIS 8 7.663 8.719 8.719 65 2HB HIS 8 1HB HIS 8 8.943 9.904 9.904 66 HD1 HIS 8 1HD HIS 8 5.905 9.342 9.342 67 HD2 HIS 8 2HD HIS 8 8.337 12.477 12.477 68 HE1 HIS 8 1HE HIS 8 4.812 11.478 11.478 69 H ASP 9 H ASP 9 11.087 7.641 7.641 70 HA ASP 9 HA ASP 9 12.981 9.884 9.884 71 1HB ASP 9 2HB ASP 9 14.312 8.527 8.527 72 2HB ASP 9 1HB ASP 9 12.644 8.246 8.246 73 H GLY 10 H GLY 10 12.015 7.387 7.387 74 1HA GLY 10 2HA GLY 10 13.003 7.321 7.321 75 2HA GLY 10 1HA GLY 10 14.579 7.558 7.558 76 H THR 11 H THR 11 14.192 5.598 5.598 77 HA THR 11 HA THR 11 15.229 3.293 3.293 78 HB THR 11 HB THR 11 14.240 4.208 4.208 79 HG1 THR 11 1HG THR 11 16.312 3.209 3.209 80 1HG2 THR 11 1HG2 THR 11 13.262 1.480 1.480 81 2HG2 THR 11 3HG2 THR 11 13.628 1.842 1.842 82 3HG2 THR 11 2HG2 THR 11 12.382 2.756 2.756 83 H ARG 12 H ARG 12 14.380 1.669 1.669 84 HA ARG 12 HA ARG 12 11.398 1.461 1.461 85 1HB ARG 12 2HB ARG 12 13.603 1.735 1.735 86 2HB ARG 12 1HB ARG 12 12.275 0.664 0.664 87 1HG ARG 12 2HG ARG 12 10.667 2.407 2.407 88 2HG ARG 12 1HG ARG 12 11.797 3.461 3.461 89 1HD ARG 12 2HD ARG 12 12.003 2.584 2.584 90 2HD ARG 12 1HD ARG 12 11.641 4.218 4.218 91 HE ARG 12 HE ARG 12 13.914 4.261 4.261 92 1HH1 ARG 12 1HH1 ARG 12 13.387 2.786 2.786 93 2HH1 ARG 12 2HH1 ARG 12 14.922 1.985 1.985 94 1HH2 ARG 12 1HH2 ARG 12 15.806 2.785 2.785 95 2HH2 ARG 12 2HH2 ARG 12 16.291 1.985 1.985 96 H ARG 13 H ARG 13 10.598 -0.707 -0.707 97 HA ARG 13 HA ARG 13 12.585 -2.922 -2.922 98 1HB ARG 13 2HB ARG 13 10.389 -3.908 -3.908 99 2HB ARG 13 1HB ARG 13 11.821 -3.249 -3.249 100 1HG ARG 13 2HG ARG 13 10.123 -1.045 -1.045 101 2HG ARG 13 1HG ARG 13 9.113 -2.302 -2.302 102 1HD ARG 13 2HD ARG 13 11.585 -2.151 -2.151 103 2HD ARG 13 1HD ARG 13 10.866 -0.531 -0.531 104 HE ARG 13 HE ARG 13 8.815 -2.463 -2.463 105 1HH1 ARG 13 1HH2 ARG 13 11.050 -3.173 -3.173 106 2HH1 ARG 13 2HH2 ARG 13 10.606 -2.217 -2.217 107 1HH2 ARG 13 1HH1 ARG 13 8.410 -0.206 -0.206 108 2HH2 ARG 13 2HH1 ARG 13 9.111 -0.537 -0.537 109 H GLU 14 H GLU 14 12.319 -4.247 -4.247 110 HA GLU 14 HA GLU 14 9.765 -4.176 -4.176 111 1HB GLU 14 2HB GLU 14 12.354 -5.625 -5.625 112 2HB GLU 14 1HB GLU 14 11.097 -5.146 -5.146 113 1HG GLU 14 2HG GLU 14 11.570 -2.734 -2.734 114 2HG GLU 14 1HG GLU 14 13.024 -3.365 -3.365 115 H LEU 15 H LEU 15 8.250 -5.760 -5.760 116 HA LEU 15 HA LEU 15 9.175 -8.306 -8.306 117 1HB LEU 15 2HB LEU 15 6.726 -6.600 -6.600 118 2HB LEU 15 1HB LEU 15 6.510 -8.335 -8.335 119 HG LEU 15 HG LEU 15 8.239 -6.495 -6.495 120 1HD1 LEU 15 3HD1 LEU 15 5.599 -7.721 -7.721 121 2HD1 LEU 15 2HD1 LEU 15 6.679 -8.180 -8.180 122 3HD1 LEU 15 1HD1 LEU 15 6.351 -6.479 -6.479 123 1HD2 LEU 15 2HD2 LEU 15 7.950 -9.488 -9.488 124 2HD2 LEU 15 1HD2 LEU 15 9.416 -8.603 -8.603 125 3HD2 LEU 15 3HD2 LEU 15 8.814 -8.489 -8.489 126 H ASP 16 H ASP 16 8.519 -10.273 -10.273 127 HA ASP 16 HA ASP 16 7.535 -10.146 -10.146 128 1HB ASP 16 2HB ASP 16 9.050 -12.118 -12.118 129 2HB ASP 16 1HB ASP 16 8.285 -12.650 -12.650 130 H VAL 17 H VAL 17 5.311 -9.768 -9.768 131 HA VAL 17 HA VAL 17 3.992 -11.825 -11.825 132 HB VAL 17 HB VAL 17 3.210 -9.134 -9.134 133 1HG1 VAL 17 1HG1 VAL 17 1.613 -11.165 -11.165 134 2HG1 VAL 17 3HG1 VAL 17 1.193 -9.453 -9.453 135 3HG1 VAL 17 2HG1 VAL 17 1.176 -10.369 -10.369 136 1HG2 VAL 17 2HG2 VAL 17 4.514 -10.036 -10.036 137 2HG2 VAL 17 1HG2 VAL 17 4.173 -8.385 -8.385 138 3HG2 VAL 17 3HG2 VAL 17 2.972 -9.284 -9.284 139 H ALA 18 H ALA 18 1.796 -12.563 -12.563 140 HA ALA 18 HA ALA 18 1.849 -12.988 -12.988 141 1HB ALA 18 2HB ALA 18 2.551 -14.960 -14.960 142 2HB ALA 18 1HB ALA 18 1.042 -14.886 -14.886 143 3HB ALA 18 3HB ALA 18 1.011 -15.260 -15.260 144 H ASP 19 H ASP 19 -0.719 -14.645 -14.645 145 HA ASP 19 HA ASP 19 -2.566 -12.317 -12.317 146 1HB ASP 19 2HB ASP 19 -3.908 -13.759 -13.759 147 2HB ASP 19 1HB ASP 19 -2.256 -14.164 -14.164 148 H GLY 20 H GLY 20 -3.772 -11.933 -11.933 149 1HA GLY 20 2HA GLY 20 -5.459 -12.800 -12.800 150 2HA GLY 20 1HA GLY 20 -4.458 -14.241 -14.241 151 H VAL 21 H VAL 21 -2.178 -11.956 -11.956 152 HA VAL 21 HA VAL 21 -2.114 -11.745 -11.745 153 HB VAL 21 HB VAL 21 -0.065 -11.130 -11.130 154 1HG1 VAL 21 3HG1 VAL 21 0.151 -11.306 -11.306 155 2HG1 VAL 21 2HG1 VAL 21 1.538 -11.232 -11.232 156 3HG1 VAL 21 1HG1 VAL 21 0.416 -9.875 -9.875 157 1HG2 VAL 21 1HG2 VAL 21 -0.848 -13.604 -13.604 158 2HG2 VAL 21 3HG2 VAL 21 -0.003 -13.409 -13.409 159 3HG2 VAL 21 2HG2 VAL 21 0.887 -13.272 -13.272 160 H SER 22 H SER 22 -1.190 -9.659 -9.659 161 HA SER 22 HA SER 22 -2.314 -7.280 -7.280 162 1HB SER 22 2HB SER 22 -2.087 -6.802 -6.802 163 2HB SER 22 1HB SER 22 -3.572 -7.071 -7.071 164 HG SER 22 HG SER 22 -3.316 -9.291 -9.291 165 H LEU 23 H LEU 23 -0.962 -5.295 -5.295 166 HA LEU 23 HA LEU 23 1.813 -5.636 -5.636 167 1HB LEU 23 2HB LEU 23 0.412 -3.270 -3.270 168 2HB LEU 23 1HB LEU 23 1.953 -3.259 -3.259 169 HG LEU 23 HG LEU 23 -0.776 -3.583 -3.583 170 1HD1 LEU 23 2HD1 LEU 23 0.468 -1.343 -1.343 171 2HD1 LEU 23 1HD1 LEU 23 1.567 -1.935 -1.935 172 3HD1 LEU 23 3HD1 LEU 23 -0.145 -1.713 -1.713 173 1HD2 LEU 23 1HD2 LEU 23 1.887 -4.527 -4.527 174 2HD2 LEU 23 3HD2 LEU 23 0.332 -5.356 -5.356 175 3HD2 LEU 23 2HD2 LEU 23 0.630 -3.990 -3.990 176 H MET 24 H MET 24 -0.170 -5.725 -5.725 177 HA MET 24 HA MET 24 2.083 -5.399 -5.399 178 1HB MET 24 2HB MET 24 0.106 -4.599 -4.599 179 2HB MET 24 1HB MET 24 -0.854 -5.891 -5.891 180 1HG MET 24 2HG MET 24 -0.483 -7.294 -7.294 181 2HG MET 24 1HG MET 24 1.197 -6.788 -6.788 182 1HE MET 24 2HE MET 24 -0.763 -7.628 -7.628 183 2HE MET 24 1HE MET 24 0.430 -6.882 -6.882 184 3HE MET 24 3HE MET 24 -1.285 -6.467 -6.467 185 H GLN 25 H GLN 25 -0.221 -8.020 -8.020 186 HA GLN 25 HA GLN 25 0.820 -10.048 -10.048 187 1HB GLN 25 2HB GLN 25 -1.104 -10.131 -10.131 188 2HB GLN 25 1HB GLN 25 -0.053 -10.008 -10.008 189 1HG GLN 25 2HG GLN 25 0.782 -12.198 -12.198 190 2HG GLN 25 1HG GLN 25 0.214 -12.281 -12.281 191 1HE2 GLN 25 2HE2 GLN 25 -3.131 -12.122 -12.122 192 2HE2 GLN 25 1HE2 GLN 25 -2.148 -10.763 -10.763 193 H ALA 26 H ALA 26 2.098 -9.376 -9.376 194 HA ALA 26 HA ALA 26 4.262 -11.260 -11.260 195 1HB ALA 26 2HB ALA 26 3.760 -8.772 -8.772 196 2HB ALA 26 1HB ALA 26 5.334 -9.601 -9.601 197 3HB ALA 26 3HB ALA 26 3.840 -10.456 -10.456 198 H ALA 27 H ALA 27 4.089 -7.738 -7.738 199 HA ALA 27 HA ALA 27 6.724 -7.240 -7.240 200 1HB ALA 27 3HB ALA 27 3.977 -6.057 -6.057 201 2HB ALA 27 2HB ALA 27 5.258 -5.401 -5.401 202 3HB ALA 27 1HB ALA 27 5.417 -5.365 -5.365 203 H VAL 28 H VAL 28 3.756 -7.532 -7.532 204 HA VAL 28 HA VAL 28 4.335 -7.637 -7.637 205 HB VAL 28 HB VAL 28 2.517 -8.749 -8.749 206 1HG1 VAL 28 2HG1 VAL 28 3.389 -10.685 -10.685 207 2HG1 VAL 28 1HG1 VAL 28 1.701 -10.647 -10.647 208 3HG1 VAL 28 3HG1 VAL 28 2.959 -11.001 -11.001 209 1HG2 VAL 28 1HG2 VAL 28 2.161 -7.114 -7.114 210 2HG2 VAL 28 3HG2 VAL 28 0.890 -8.294 -8.294 211 3HG2 VAL 28 2HG2 VAL 28 1.996 -8.551 -8.551 212 H SER 29 H SER 29 4.666 -10.614 -10.614 213 HA SER 29 HA SER 29 6.065 -12.147 -12.147 214 1HB SER 29 2HB SER 29 5.535 -13.605 -13.605 215 2HB SER 29 1HB SER 29 5.120 -12.263 -12.263 216 HG SER 29 HG SER 29 6.805 -12.884 -12.884 217 H ASN 30 H ASN 30 7.150 -10.338 -10.338 218 HA ASN 30 HA ASN 30 9.958 -10.701 -10.701 219 1HB ASN 30 2HB ASN 30 8.015 -8.945 -8.945 220 2HB ASN 30 1HB ASN 30 9.604 -8.220 -8.220 221 1HD2 ASN 30 2HD2 ASN 30 9.100 -11.098 -11.098 222 2HD2 ASN 30 1HD2 ASN 30 7.803 -10.461 -10.461 223 H GLY 31 H GLY 31 7.647 -9.072 -9.072 224 1HA GLY 31 2HA GLY 31 8.123 -8.033 -8.033 225 2HA GLY 31 1HA GLY 31 9.822 -7.911 -7.911 226 H ILE 32 H ILE 32 8.463 -6.842 -6.842 227 HA ILE 32 HA ILE 32 9.116 -4.154 -4.154 228 HB ILE 32 HB ILE 32 7.028 -5.758 -5.758 229 1HG1 ILE 32 2HG1 ILE 32 9.487 -4.189 -4.189 230 2HG1 ILE 32 1HG1 ILE 32 9.317 -5.943 -5.943 231 1HG2 ILE 32 3HG2 ILE 32 7.305 -2.746 -2.746 232 2HG2 ILE 32 2HG2 ILE 32 6.630 -3.645 -3.645 233 3HG2 ILE 32 1HG2 ILE 32 5.838 -3.699 -3.699 234 1HD1 ILE 32 1HD1 ILE 32 7.196 -5.147 -5.147 235 2HD1 ILE 32 3HD1 ILE 32 8.498 -4.062 -4.062 236 3HD1 ILE 32 2HD1 ILE 32 8.726 -5.809 -5.809 237 H TYR 33 H TYR 33 6.293 -5.774 -5.774 238 HA TYR 33 HA TYR 33 5.429 -3.144 -3.144 239 1HB TYR 33 2HB TYR 33 3.885 -5.603 -5.603 240 2HB TYR 33 1HB TYR 33 3.163 -4.242 -4.242 241 HD1 TYR 33 2HD TYR 33 4.466 -1.920 -1.920 242 HD2 TYR 33 1HD TYR 33 3.259 -5.459 -5.459 243 HE1 TYR 33 2HE TYR 33 4.381 -0.625 -0.625 244 HE2 TYR 33 1HE TYR 33 3.184 -4.200 -4.200 245 HH TYR 33 HH TYR 33 4.554 -1.758 -1.758 246 H ASP 34 H ASP 34 7.178 -3.903 -3.903 247 HA ASP 34 HA ASP 34 6.091 -5.811 -5.811 248 1HB ASP 34 2HB ASP 34 8.268 -5.440 -5.440 249 2HB ASP 34 1HB ASP 34 8.527 -5.699 -5.699 250 H ILE 35 H ILE 35 4.829 -3.168 -3.168 251 HA ILE 35 HA ILE 35 5.219 -1.320 -1.320 252 HB ILE 35 HB ILE 35 3.636 -0.014 -0.014 253 1HG1 ILE 35 2HG1 ILE 35 2.755 -2.654 -2.654 254 2HG1 ILE 35 1HG1 ILE 35 1.817 -1.606 -1.606 255 1HG2 ILE 35 1HG2 ILE 35 5.704 -1.443 -1.443 256 2HG2 ILE 35 3HG2 ILE 35 4.344 -1.135 -1.135 257 3HG2 ILE 35 2HG2 ILE 35 5.130 0.204 0.204 258 1HD1 ILE 35 3HD1 ILE 35 2.714 -0.028 -0.028 259 2HD1 ILE 35 2HD1 ILE 35 2.012 -1.509 -1.509 260 3HD1 ILE 35 1HD1 ILE 35 1.059 -0.474 -0.474 261 H VAL 36 H VAL 36 2.583 -0.601 -0.601 262 HA VAL 36 HA VAL 36 1.525 -3.026 -3.026 263 HB VAL 36 HB VAL 36 0.765 -1.242 -1.242 264 1HG1 VAL 36 1HG1 VAL 36 3.634 -1.939 -1.939 265 2HG1 VAL 36 3HG1 VAL 36 3.234 -0.906 -0.906 266 3HG1 VAL 36 2HG1 VAL 36 2.591 -2.545 -2.545 267 1HG2 VAL 36 2HG2 VAL 36 1.381 0.519 0.519 268 2HG2 VAL 36 1HG2 VAL 36 1.419 0.948 0.948 269 3HG2 VAL 36 3HG2 VAL 36 2.912 0.515 0.515 270 H GLY 37 H GLY 37 0.013 -3.415 -3.415 271 1HA GLY 37 2HA GLY 37 -2.186 -1.383 -1.383 272 2HA GLY 37 1HA GLY 37 -1.717 -2.359 -2.359 273 H ASP 38 H ASP 38 -4.353 -2.238 -2.238 274 HA ASP 38 HA ASP 38 -4.594 -4.832 -4.832 275 1HB ASP 38 2HB ASP 38 -5.924 -2.369 -2.369 276 2HB ASP 38 1HB ASP 38 -7.064 -3.485 -3.485 277 H CYS 39 H CYS 39 -4.196 -4.071 -4.071 278 HA CYS 39 HA CYS 39 -6.317 -5.385 -5.385 279 1HB CYS 39 2HB CYS 39 -4.612 -5.223 -5.223 280 2HB CYS 39 1HB CYS 39 -4.837 -3.733 -3.733 281 H GLY 40 H GLY 40 -3.202 -6.529 -6.529 282 1HA GLY 40 2HA GLY 40 -2.253 -8.694 -8.694 283 2HA GLY 40 1HA GLY 40 -3.896 -9.196 -9.196 284 H GLY 41 H GLY 41 -3.101 -7.531 -7.531 285 1HA GLY 41 2HA GLY 41 -2.978 -8.329 -8.329 286 2HA GLY 41 1HA GLY 41 -3.041 -9.981 -9.981 287 H SER 42 H SER 42 -5.368 -7.425 -7.425 288 HA SER 42 HA SER 42 -7.400 -8.799 -8.799 289 1HB SER 42 2HB SER 42 -7.143 -9.397 -9.397 290 2HB SER 42 1HB SER 42 -8.154 -7.964 -7.964 291 HG SER 42 HG SER 42 -8.727 -10.097 -10.097 292 H ALA 43 H ALA 43 -5.919 -5.979 -5.979 293 HA ALA 43 HA ALA 43 -6.495 -3.768 -3.768 294 1HB ALA 43 3HB ALA 43 -8.293 -5.524 -5.524 295 2HB ALA 43 2HB ALA 43 -9.244 -4.176 -4.176 296 3HB ALA 43 1HB ALA 43 -7.885 -3.876 -3.876 297 H SER 44 H SER 44 -6.562 -4.231 -4.231 298 HA SER 44 HA SER 44 -8.902 -2.730 -2.730 299 1HB SER 44 2HB SER 44 -8.158 -5.407 -5.407 300 2HB SER 44 1HB SER 44 -7.659 -4.494 -4.494 301 HG SER 44 HG SER 44 -10.174 -5.064 -5.064 302 H CYS 45 H CYS 45 -6.155 -1.932 -1.932 303 HA CYS 45 HA CYS 45 -4.908 -1.251 -1.251 304 1HB CYS 45 2HB CYS 45 -2.862 -0.852 -0.852 305 2HB CYS 45 1HB CYS 45 -3.382 -2.486 -2.486 306 H ALA 46 H ALA 46 -4.029 0.697 0.697 307 HA ALA 46 HA ALA 46 -4.980 3.028 3.028 308 1HB ALA 46 1HB ALA 46 -4.369 2.608 2.608 309 2HB ALA 46 3HB ALA 46 -4.710 4.190 4.190 310 3HB ALA 46 2HB ALA 46 -5.944 2.932 2.932 311 H THR 47 H THR 47 -2.280 1.166 1.166 312 HA THR 47 HA THR 47 -0.397 3.488 3.488 313 HB THR 47 HB THR 47 -0.081 2.102 2.102 314 HG1 THR 47 1HG THR 47 1.924 2.362 2.362 315 1HG2 THR 47 3HG2 THR 47 -0.574 -0.099 -0.099 316 2HG2 THR 47 2HG2 THR 47 0.430 -0.440 -0.440 317 3HG2 THR 47 1HG2 THR 47 -1.229 0.121 0.121 318 H CYS 48 H CYS 48 -1.374 0.586 0.586 319 HA CYS 48 HA CYS 48 1.015 0.568 0.568 320 1HB CYS 48 2HB CYS 48 -1.669 -0.675 -0.675 321 2HB CYS 48 1HB CYS 48 -0.098 -1.165 -1.165 322 H HIS 49 H HIS 49 -1.007 3.026 3.026 323 HA HIS 49 HA HIS 49 -2.217 3.528 3.528 324 1HB HIS 49 2HB HIS 49 -2.365 5.017 5.017 325 2HB HIS 49 1HB HIS 49 -0.633 5.332 5.332 326 HD1 HIS 49 1HD HIS 49 -0.028 6.165 6.165 327 HD2 HIS 49 2HD HIS 49 -3.689 7.200 7.200 328 HE1 HIS 49 1HE HIS 49 -0.938 8.074 8.074 329 H VAL 50 H VAL 50 -1.342 3.957 3.957 330 HA VAL 50 HA VAL 50 1.466 4.774 4.774 331 HB VAL 50 HB VAL 50 1.925 2.699 2.699 332 1HG1 VAL 50 3HG1 VAL 50 2.727 3.094 3.094 333 2HG1 VAL 50 2HG1 VAL 50 1.375 2.096 2.096 334 3HG1 VAL 50 1HG1 VAL 50 2.629 1.405 1.405 335 1HG2 VAL 50 2HG2 VAL 50 -0.549 2.127 2.127 336 2HG2 VAL 50 1HG2 VAL 50 0.516 0.780 0.780 337 3HG2 VAL 50 3HG2 VAL 50 -0.423 1.577 1.577 338 H TYR 51 H TYR 51 1.979 4.907 4.907 339 HA TYR 51 HA TYR 51 -0.529 5.570 5.570 340 1HB TYR 51 2HB TYR 51 2.170 6.869 6.869 341 2HB TYR 51 1HB TYR 51 1.090 7.281 7.281 342 HD1 TYR 51 1HD TYR 51 -1.333 6.548 6.548 343 HD2 TYR 51 2HD TYR 51 1.926 9.372 9.372 344 HE1 TYR 51 1HE TYR 51 -2.605 8.115 8.115 345 HE2 TYR 51 2HE TYR 51 0.614 10.953 10.953 346 HH TYR 51 HH TYR 51 -1.491 11.411 11.411 347 H VAL 52 H VAL 52 -0.843 4.352 4.352 348 HA VAL 52 HA VAL 52 1.381 2.755 2.755 349 HB VAL 52 HB VAL 52 -1.571 2.938 2.938 350 1HG1 VAL 52 3HG1 VAL 52 0.365 1.834 1.834 351 2HG1 VAL 52 2HG1 VAL 52 0.027 0.469 0.469 352 3HG1 VAL 52 1HG1 VAL 52 -1.270 1.172 1.172 353 1HG2 VAL 52 3HG2 VAL 52 -0.326 1.952 1.952 354 2HG2 VAL 52 2HG2 VAL 52 -1.990 1.675 1.675 355 3HG2 VAL 52 1HG2 VAL 52 -0.729 0.528 0.528 356 H ASN 53 H ASN 53 2.033 3.067 3.067 357 HA ASN 53 HA ASN 53 1.758 5.821 5.821 358 1HB ASN 53 2HB ASN 53 2.957 4.927 4.927 359 2HB ASN 53 1HB ASN 53 3.779 4.553 4.553 360 1HD2 ASN 53 2HD2 ASN 53 1.874 1.178 1.178 361 2HD2 ASN 53 1HD2 ASN 53 1.133 2.501 2.501 362 H GLU 54 H GLU 54 0.246 6.638 6.638 363 HA GLU 54 HA GLU 54 -2.244 5.599 5.599 364 1HB GLU 54 2HB GLU 54 -2.152 7.066 7.066 365 2HB GLU 54 1HB GLU 54 -1.647 7.852 7.852 366 1HG GLU 54 2HG GLU 54 0.612 6.525 6.525 367 2HG GLU 54 1HG GLU 54 -0.150 7.596 7.596 368 H ALA 55 H ALA 55 0.728 4.662 4.662 369 HA ALA 55 HA ALA 55 -0.353 3.422 3.422 370 1HB ALA 55 1HB ALA 55 2.092 2.961 2.961 371 2HB ALA 55 3HB ALA 55 1.827 2.081 2.081 372 3HB ALA 55 2HB ALA 55 1.990 3.837 3.837 373 H PHE 56 H PHE 56 -0.527 2.454 2.454 374 HA PHE 56 HA PHE 56 -1.617 -0.195 -0.195 375 1HB PHE 56 2HB PHE 56 0.252 0.507 0.507 376 2HB PHE 56 1HB PHE 56 -0.520 -1.066 -1.066 377 HD1 PHE 56 1HD PHE 56 1.608 1.397 1.397 378 HD2 PHE 56 2HD PHE 56 0.428 -2.759 -2.759 379 HE1 PHE 56 1HE PHE 56 3.270 0.797 0.797 380 HE2 PHE 56 2HE PHE 56 2.089 -3.309 -3.309 381 HZ PHE 56 HZ PHE 56 3.512 -1.553 -1.553 382 H THR 57 H THR 57 -2.158 2.692 2.692 383 HA THR 57 HA THR 57 -3.991 1.573 1.573 384 HB THR 57 HB THR 57 -4.126 3.773 3.773 385 HG1 THR 57 1HG THR 57 -3.739 4.540 4.540 386 1HG2 THR 57 2HG2 THR 57 -1.603 2.957 2.957 387 2HG2 THR 57 1HG2 THR 57 -1.754 4.602 4.602 388 3HG2 THR 57 3HG2 THR 57 -1.941 4.285 4.285 389 H ASP 58 H ASP 58 -4.237 3.230 3.230 390 HA ASP 58 HA ASP 58 -7.143 3.319 3.319 391 1HB ASP 58 2HB ASP 58 -6.560 4.804 4.804 392 2HB ASP 58 1HB ASP 58 -4.886 4.275 4.275 393 H LYS 59 H LYS 59 -4.857 0.863 0.863 394 HA LYS 59 HA LYS 59 -6.295 -0.787 -0.787 395 1HB LYS 59 2HB LYS 59 -4.311 -1.660 -1.660 396 2HB LYS 59 1HB LYS 59 -4.534 -2.324 -2.324 397 1HG LYS 59 2HG LYS 59 -3.272 0.323 0.323 398 2HG LYS 59 1HG LYS 59 -2.546 -1.012 -1.012 399 1HD LYS 59 2HD LYS 59 -4.865 0.683 0.683 400 2HD LYS 59 1HD LYS 59 -3.195 0.826 0.826 401 1HE LYS 59 2HE LYS 59 -3.239 -1.380 -1.380 402 2HE LYS 59 1HE LYS 59 -4.803 -1.741 -1.741 403 1HZ LYS 59 2HZ LYS 59 -4.616 0.695 0.695 404 2HZ LYS 59 1HZ LYS 59 -4.636 -0.776 -0.776 405 3HZ LYS 59 3HZ LYS 59 -5.918 -0.379 -0.379 406 H VAL 60 H VAL 60 -5.463 -0.970 -0.970 407 HA VAL 60 HA VAL 60 -7.296 -3.103 -3.103 408 HB VAL 60 HB VAL 60 -4.859 -2.152 -2.152 409 1HG1 VAL 60 3HG1 VAL 60 -6.007 -0.182 -0.182 410 2HG1 VAL 60 2HG1 VAL 60 -6.523 -1.295 -1.295 411 3HG1 VAL 60 1HG1 VAL 60 -4.804 -1.024 -1.024 412 1HG2 VAL 60 1HG2 VAL 60 -6.782 -3.843 -3.843 413 2HG2 VAL 60 3HG2 VAL 60 -5.408 -4.320 -4.320 414 3HG2 VAL 60 2HG2 VAL 60 -5.135 -3.563 -3.563 415 HA PRO 61 HA PRO 61 -10.683 -0.381 -0.381 416 1HB PRO 61 2HB PRO 61 -12.189 -2.146 -2.146 417 2HB PRO 61 1HB PRO 61 -12.068 -2.170 -2.170 418 1HG PRO 61 2HG PRO 61 -10.666 -3.856 -3.856 419 2HG PRO 61 1HG PRO 61 -11.346 -4.316 -4.316 420 1HD PRO 61 2HD PRO 61 -8.688 -3.917 -3.917 421 2HD PRO 61 1HD PRO 61 -9.497 -3.596 -3.596 422 H ALA 62 H ALA 62 -11.737 0.586 0.586 423 HA ALA 62 HA ALA 62 -10.021 1.055 1.055 424 1HB ALA 62 3HB ALA 62 -11.911 2.379 2.379 425 2HB ALA 62 2HB ALA 62 -12.693 2.212 2.212 426 3HB ALA 62 1HB ALA 62 -11.131 3.023 3.023 427 H ALA 63 H ALA 63 -11.309 1.250 1.250 428 HA ALA 63 HA ALA 63 -12.756 -1.331 -1.331 429 1HB ALA 63 1HB ALA 63 -10.538 0.003 0.003 430 2HB ALA 63 3HB ALA 63 -11.841 -0.059 -0.059 431 3HB ALA 63 2HB ALA 63 -11.245 -1.549 -1.549 432 H ASN 64 H ASN 64 -13.603 -0.465 -0.465 433 HA ASN 64 HA ASN 64 -15.902 1.237 1.237 434 1HB ASN 64 2HB ASN 64 -16.919 0.277 0.277 435 2HB ASN 64 1HB ASN 64 -16.258 -1.005 -1.005 436 1HD2 ASN 64 2HD2 ASN 64 -15.047 -1.572 -1.572 437 2HD2 ASN 64 1HD2 ASN 64 -16.578 -1.493 -1.493 438 H GLU 65 H GLU 65 -16.236 1.708 1.708 439 HA GLU 65 HA GLU 65 -14.860 4.291 4.291 440 1HB GLU 65 2HB GLU 65 -16.190 4.608 4.608 441 2HB GLU 65 1HB GLU 65 -17.196 3.704 3.704 442 1HG GLU 65 2HG GLU 65 -16.062 1.621 1.621 443 2HG GLU 65 1HG GLU 65 -15.895 2.786 2.786 444 H ARG 66 H ARG 66 -14.189 1.075 1.075 445 HA ARG 66 HA ARG 66 -12.501 1.723 1.723 446 1HB ARG 66 2HB ARG 66 -13.169 -0.595 -0.595 447 2HB ARG 66 1HB ARG 66 -11.612 -0.683 -0.683 448 1HG ARG 66 2HG ARG 66 -14.331 -0.304 -0.304 449 2HG ARG 66 1HG ARG 66 -13.260 -1.696 -1.696 450 1HD ARG 66 2HD ARG 66 -11.600 0.336 0.336 451 2HD ARG 66 1HD ARG 66 -13.171 0.895 0.895 452 HE ARG 66 HE ARG 66 -12.863 -1.919 -1.919 453 1HH1 ARG 66 1HH1 ARG 66 -13.756 0.451 0.451 454 2HH1 ARG 66 2HH1 ARG 66 -12.585 0.309 0.309 455 1HH2 ARG 66 1HH2 ARG 66 -10.496 -1.791 -1.791 456 2HH2 ARG 66 2HH2 ARG 66 -10.739 -0.961 -0.961 457 H GLU 67 H GLU 67 -11.715 0.789 0.789 458 HA GLU 67 HA GLU 67 -8.910 1.101 1.101 459 1HB GLU 67 2HB GLU 67 -10.028 0.019 0.019 460 2HB GLU 67 1HB GLU 67 -10.963 1.474 1.474 461 1HG GLU 67 2HG GLU 67 -8.172 2.133 2.133 462 2HG GLU 67 1HG GLU 67 -8.430 0.731 0.731 463 H ILE 68 H ILE 68 -11.411 3.461 3.461 464 HA ILE 68 HA ILE 68 -9.678 5.648 5.648 465 HB ILE 68 HB ILE 68 -12.551 5.272 5.272 466 1HG1 ILE 68 2HG1 ILE 68 -12.989 5.946 5.946 467 2HG1 ILE 68 1HG1 ILE 68 -11.301 6.395 6.395 468 1HG2 ILE 68 1HG2 ILE 68 -10.995 7.702 7.702 469 2HG2 ILE 68 3HG2 ILE 68 -12.260 7.897 7.897 470 3HG2 ILE 68 2HG2 ILE 68 -12.682 7.415 7.415 471 1HD1 ILE 68 2HD1 ILE 68 -11.986 3.580 3.580 472 2HD1 ILE 68 1HD1 ILE 68 -12.144 4.061 4.061 473 3HD1 ILE 68 3HD1 ILE 68 -10.580 4.168 4.168 474 H GLY 69 H GLY 69 -11.715 5.276 5.276 475 1HA GLY 69 2HA GLY 69 -10.113 7.209 7.209 476 2HA GLY 69 1HA GLY 69 -11.377 6.213 6.213 477 H MET 70 H MET 70 -10.393 3.649 3.649 478 HA MET 70 HA MET 70 -8.582 3.103 3.103 479 1HB MET 70 2HB MET 70 -9.887 1.696 1.696 480 2HB MET 70 1HB MET 70 -8.332 1.709 1.709 481 1HG MET 70 2HG MET 70 -7.361 0.461 0.461 482 2HG MET 70 1HG MET 70 -8.628 0.881 0.881 483 1HE MET 70 2HE MET 70 -8.318 -0.008 -0.008 484 2HE MET 70 1HE MET 70 -7.496 -1.439 -1.439 485 3HE MET 70 3HE MET 70 -9.037 -1.621 -1.621 486 H LEU 71 H LEU 71 -7.993 3.471 3.471 487 HA LEU 71 HA LEU 71 -5.151 3.449 3.449 488 1HB LEU 71 2HB LEU 71 -6.841 2.966 2.966 489 2HB LEU 71 1HB LEU 71 -7.240 4.689 4.689 490 HG LEU 71 HG LEU 71 -4.897 3.271 3.271 491 1HD1 LEU 71 3HD1 LEU 71 -6.811 5.422 5.422 492 2HD1 LEU 71 2HD1 LEU 71 -5.163 5.680 5.680 493 3HD1 LEU 71 1HD1 LEU 71 -6.057 4.225 4.225 494 1HD2 LEU 71 3HD2 LEU 71 -4.653 6.031 6.031 495 2HD2 LEU 71 2HD2 LEU 71 -3.712 4.613 4.613 496 3HD2 LEU 71 1HD2 LEU 71 -3.505 5.339 5.339 497 H GLU 72 H GLU 72 -7.472 6.191 6.191 498 HA GLU 72 HA GLU 72 -5.322 8.140 8.140 499 1HB GLU 72 2HB GLU 72 -7.059 8.843 8.843 500 2HB GLU 72 1HB GLU 72 -8.315 8.196 8.196 501 1HG GLU 72 2HG GLU 72 -8.194 9.979 9.979 502 2HG GLU 72 1HG GLU 72 -6.514 10.351 10.351 503 H CYS 73 H CYS 73 -6.225 6.008 6.008 504 HA CYS 73 HA CYS 73 -7.528 7.209 7.209 505 1HB CYS 73 2HB CYS 73 -5.397 5.166 5.166 506 2HB CYS 73 1HB CYS 73 -5.570 5.793 5.793 507 HG CYS 73 HG CYS 73 -8.208 5.134 5.134 508 H VAL 74 H VAL 74 -4.419 7.832 7.832 509 HA VAL 74 HA VAL 74 -3.541 9.566 9.566 510 HB VAL 74 HB VAL 74 -1.429 9.349 9.349 511 1HG1 VAL 74 3HG1 VAL 74 -2.701 7.065 7.065 512 2HG1 VAL 74 2HG1 VAL 74 -2.598 7.002 7.002 513 3HG1 VAL 74 1HG1 VAL 74 -1.126 7.110 7.110 514 1HG2 VAL 74 1HG2 VAL 74 -3.022 9.654 9.654 515 2HG2 VAL 74 3HG2 VAL 74 -1.405 10.253 10.253 516 3HG2 VAL 74 2HG2 VAL 74 -1.629 8.584 8.584 517 H THR 75 H THR 75 -2.292 11.505 11.505 518 HA THR 75 HA THR 75 -4.779 12.839 12.839 519 HB THR 75 HB THR 75 -3.786 13.690 13.690 520 HG1 THR 75 1HG THR 75 -3.943 15.341 15.341 521 1HG2 THR 75 2HG2 THR 75 -1.415 13.553 13.553 522 2HG2 THR 75 1HG2 THR 75 -1.735 15.270 15.270 523 3HG2 THR 75 3HG2 THR 75 -1.596 14.188 14.188 524 H ALA 76 H ALA 76 -3.415 11.370 11.370 525 HA ALA 76 HA ALA 76 -1.396 13.130 13.130 526 1HB ALA 76 1HB ALA 76 -1.654 10.399 10.399 527 2HB ALA 76 3HB ALA 76 -2.103 10.588 10.588 528 3HB ALA 76 2HB ALA 76 -0.532 11.157 11.157 529 H GLU 77 H GLU 77 -4.301 13.826 13.826 530 HA GLU 77 HA GLU 77 -6.052 14.307 14.307 531 1HB GLU 77 2HB GLU 77 -5.112 15.650 15.650 532 2HB GLU 77 1HB GLU 77 -4.330 16.039 16.039 533 1HG GLU 77 2HG GLU 77 -2.398 14.728 14.728 534 2HG GLU 77 1HG GLU 77 -3.207 14.022 14.022 535 H LEU 78 H LEU 78 -6.043 11.755 11.755 536 HA LEU 78 HA LEU 78 -5.371 9.880 9.880 537 1HB LEU 78 2HB LEU 78 -7.530 10.284 10.284 538 2HB LEU 78 1HB LEU 78 -8.245 10.681 10.681 539 HG LEU 78 HG LEU 78 -7.449 8.512 8.512 540 1HD1 LEU 78 3HD1 LEU 78 -5.905 8.561 8.561 541 2HD1 LEU 78 2HD1 LEU 78 -6.937 7.131 7.131 542 3HD1 LEU 78 1HD1 LEU 78 -5.829 7.398 7.398 543 1HD2 LEU 78 3HD2 LEU 78 -9.672 8.919 8.919 544 2HD2 LEU 78 2HD2 LEU 78 -9.192 7.270 7.270 545 3HD2 LEU 78 1HD2 LEU 78 -8.911 7.904 7.904 546 H LYS 79 H LYS 79 -5.003 9.537 9.537 547 HA LYS 79 HA LYS 79 -5.839 11.627 11.627 548 1HB LYS 79 2HB LYS 79 -4.114 9.242 9.242 549 2HB LYS 79 1HB LYS 79 -4.008 10.883 10.883 550 1HG LYS 79 2HG LYS 79 -3.297 11.633 11.633 551 2HG LYS 79 1HG LYS 79 -3.170 9.931 9.931 552 1HD LYS 79 2HD LYS 79 -1.090 9.966 9.966 553 2HD LYS 79 1HD LYS 79 -1.837 10.124 10.124 554 1HE LYS 79 2HE LYS 79 -2.000 12.670 12.670 555 2HE LYS 79 1HE LYS 79 -0.672 12.256 12.256 556 1HZ LYS 79 3HZ LYS 79 0.479 11.200 11.200 557 2HZ LYS 79 2HZ LYS 79 -0.769 11.674 11.674 558 3HZ LYS 79 1HZ LYS 79 0.208 12.846 12.846 559 HA PRO 80 HA PRO 80 -8.532 8.771 8.771 560 1HB PRO 80 2HB PRO 80 -7.687 8.565 8.565 561 2HB PRO 80 1HB PRO 80 -8.438 10.034 10.034 562 1HG PRO 80 2HG PRO 80 -5.624 9.486 9.486 563 2HG PRO 80 1HG PRO 80 -6.492 11.024 11.024 564 1HD PRO 80 2HD PRO 80 -4.729 9.990 9.990 565 2HD PRO 80 1HD PRO 80 -5.776 11.415 11.415 566 H ASN 81 H ASN 81 -5.142 7.978 7.978 567 HA ASN 81 HA ASN 81 -5.826 5.107 5.107 568 1HB ASN 81 2HB ASN 81 -3.355 5.050 5.050 569 2HB ASN 81 1HB ASN 81 -4.369 6.038 6.038 570 1HD2 ASN 81 2HD2 ASN 81 -1.244 7.798 7.798 571 2HD2 ASN 81 1HD2 ASN 81 -1.397 6.143 6.143 572 H SER 82 H SER 82 -4.876 7.188 7.188 573 HA SER 82 HA SER 82 -2.925 5.778 5.778 574 1HB SER 82 2HB SER 82 -5.426 6.823 6.823 575 2HB SER 82 1HB SER 82 -3.765 6.931 6.931 576 HG SER 82 HG SER 82 -3.538 8.191 8.191 577 H ARG 83 H ARG 83 -2.937 3.941 3.941 578 HA ARG 83 HA ARG 83 -5.445 2.521 2.521 579 1HB ARG 83 2HB ARG 83 -3.346 1.546 1.546 580 2HB ARG 83 1HB ARG 83 -4.495 0.451 0.451 581 1HG ARG 83 2HG ARG 83 -5.182 2.821 2.821 582 2HG ARG 83 1HG ARG 83 -5.339 1.122 1.122 583 1HD ARG 83 2HD ARG 83 -6.716 1.394 1.394 584 2HD ARG 83 1HD ARG 83 -7.211 2.778 2.778 585 HE ARG 83 HE ARG 83 -7.789 -0.014 -0.014 586 1HH1 ARG 83 1HH2 ARG 83 -8.452 3.133 3.133 587 2HH1 ARG 83 2HH2 ARG 83 -8.701 2.836 2.836 588 1HH2 ARG 83 1HH1 ARG 83 -7.541 -0.429 -0.429 589 2HH2 ARG 83 2HH1 ARG 83 -8.186 0.818 0.818 590 H LEU 84 H LEU 84 -5.104 0.884 0.884 591 HA LEU 84 HA LEU 84 -2.729 1.233 1.233 592 1HB LEU 84 2HB LEU 84 -5.226 -0.442 -0.442 593 2HB LEU 84 1HB LEU 84 -3.920 -0.949 -0.949 594 HG LEU 84 HG LEU 84 -5.051 1.841 1.841 595 1HD1 LEU 84 3HD1 LEU 84 -6.589 -0.225 -0.225 596 2HD1 LEU 84 2HD1 LEU 84 -5.751 -0.315 -0.315 597 3HD1 LEU 84 1HD1 LEU 84 -6.682 1.141 1.141 598 1HD2 LEU 84 2HD2 LEU 84 -2.746 0.846 0.846 599 2HD2 LEU 84 1HD2 LEU 84 -3.664 2.167 2.167 600 3HD2 LEU 84 3HD2 LEU 84 -3.883 0.517 0.517 601 H SER 85 H SER 85 -0.992 -0.385 -0.385 602 HA SER 85 HA SER 85 -0.152 -1.695 -1.695 603 1HB SER 85 2HB SER 85 0.184 -2.751 -2.751 604 2HB SER 85 1HB SER 85 1.232 -3.052 -3.052 605 HG SER 85 HG SER 85 1.412 -0.651 -0.651 606 H CYS 86 H CYS 86 -2.644 -2.588 -2.588 607 HA CYS 86 HA CYS 86 -3.058 -5.234 -5.234 608 1HB CYS 86 2HB CYS 86 -4.354 -4.351 -4.351 609 2HB CYS 86 1HB CYS 86 -3.876 -5.967 -5.967 610 H GLN 87 H GLN 87 -3.933 -3.024 -3.024 611 HA GLN 87 HA GLN 87 -6.895 -3.097 -3.097 612 1HB GLN 87 2HB GLN 87 -5.240 -0.957 -0.957 613 2HB GLN 87 1HB GLN 87 -5.673 -0.795 -0.795 614 1HG GLN 87 2HG GLN 87 -7.266 0.428 0.428 615 2HG GLN 87 1HG GLN 87 -8.065 -0.904 -0.904 616 1HE2 GLN 87 2HE2 GLN 87 -7.201 -2.283 -2.283 617 2HE2 GLN 87 1HE2 GLN 87 -6.007 -2.051 -2.051 618 H ILE 88 H ILE 88 -4.277 -2.844 -2.844 619 HA ILE 88 HA ILE 88 -6.206 -3.453 -3.453 620 HB ILE 88 HB ILE 88 -3.341 -2.990 -2.990 621 1HG1 ILE 88 2HG1 ILE 88 -5.085 -0.780 -0.780 622 2HG1 ILE 88 1HG1 ILE 88 -3.587 -1.393 -1.393 623 1HG2 ILE 88 2HG2 ILE 88 -5.780 -2.939 -2.939 624 2HG2 ILE 88 1HG2 ILE 88 -5.353 -1.235 -1.235 625 3HG2 ILE 88 3HG2 ILE 88 -4.241 -2.352 -2.352 626 1HD1 ILE 88 2HD1 ILE 88 -3.547 -0.407 -0.407 627 2HD1 ILE 88 1HD1 ILE 88 -3.551 0.776 0.776 628 3HD1 ILE 88 3HD1 ILE 88 -2.251 -0.410 -0.410 629 H ILE 89 H ILE 89 -5.697 -5.175 -5.175 630 HA ILE 89 HA ILE 89 -4.054 -7.351 -7.351 631 HB ILE 89 HB ILE 89 -6.507 -7.235 -7.235 632 1HG1 ILE 89 2HG1 ILE 89 -7.032 -7.203 -7.203 633 2HG1 ILE 89 1HG1 ILE 89 -7.293 -8.867 -8.867 634 1HG2 ILE 89 3HG2 ILE 89 -4.901 -8.884 -8.884 635 2HG2 ILE 89 2HG2 ILE 89 -4.854 -9.695 -9.695 636 3HG2 ILE 89 1HG2 ILE 89 -6.355 -9.649 -9.649 637 1HD1 ILE 89 1HD1 ILE 89 -4.871 -9.309 -9.309 638 2HD1 ILE 89 3HD1 ILE 89 -4.953 -7.744 -7.744 639 3HD1 ILE 89 2HD1 ILE 89 -6.049 -9.042 -9.042 640 H MET 90 H MET 90 -2.912 -8.740 -8.740 641 HA MET 90 HA MET 90 -1.923 -7.058 -7.058 642 1HB MET 90 2HB MET 90 -0.604 -8.179 -8.179 643 2HB MET 90 1HB MET 90 -0.471 -9.475 -9.475 644 1HG MET 90 2HG MET 90 1.442 -7.902 -7.902 645 2HG MET 90 1HG MET 90 0.496 -7.927 -7.927 646 1HE MET 90 2HE MET 90 0.321 -6.421 -6.421 647 2HE MET 90 1HE MET 90 -0.799 -5.093 -5.093 648 3HE MET 90 3HE MET 90 0.946 -4.803 -4.803 649 H THR 91 H THR 91 -3.093 -7.675 -7.675 650 HA THR 91 HA THR 91 -3.825 -10.513 -10.513 651 HB THR 91 HB THR 91 -4.725 -9.302 -9.302 652 HG1 THR 91 1HG THR 91 -3.508 -7.399 -7.399 653 1HG2 THR 91 3HG2 THR 91 -5.787 -8.823 -8.823 654 2HG2 THR 91 2HG2 THR 91 -6.712 -8.546 -8.546 655 3HG2 THR 91 1HG2 THR 91 -6.182 -10.176 -10.176 656 HA PRO 92 HA PRO 92 -0.503 -11.412 -11.412 657 1HB PRO 92 2HB PRO 92 -1.706 -13.014 -13.014 658 2HB PRO 92 1HB PRO 92 -1.369 -13.542 -13.542 659 1HG PRO 92 2HG PRO 92 -3.924 -12.659 -12.659 660 2HG PRO 92 1HG PRO 92 -3.623 -13.885 -13.885 661 1HD PRO 92 2HD PRO 92 -4.571 -11.346 -11.346 662 2HD PRO 92 1HD PRO 92 -3.743 -12.371 -12.371 663 H GLU 93 H GLU 93 -3.132 -9.545 -9.545 664 HA GLU 93 HA GLU 93 -1.943 -9.053 -9.053 665 1HB GLU 93 2HB GLU 93 -4.127 -8.003 -8.003 666 2HB GLU 93 1HB GLU 93 -4.357 -9.622 -9.622 667 1HG GLU 93 2HG GLU 93 -4.251 -8.072 -8.072 668 2HG GLU 93 1HG GLU 93 -5.088 -7.014 -7.014 669 H LEU 94 H LEU 94 -2.576 -7.579 -7.579 670 HA LEU 94 HA LEU 94 -1.635 -4.914 -4.914 671 1HB LEU 94 2HB LEU 94 -2.652 -5.753 -5.753 672 2HB LEU 94 1HB LEU 94 -2.600 -4.130 -4.130 673 HG LEU 94 HG LEU 94 -4.378 -6.432 -6.432 674 1HD1 LEU 94 2HD1 LEU 94 -4.816 -3.578 -3.578 675 2HD1 LEU 94 1HD1 LEU 94 -6.106 -4.619 -4.619 676 3HD1 LEU 94 3HD1 LEU 94 -5.246 -5.047 -5.047 677 1HD2 LEU 94 1HD2 LEU 94 -3.305 -5.347 -5.347 678 2HD2 LEU 94 3HD2 LEU 94 -5.059 -5.150 -5.150 679 3HD2 LEU 94 2HD2 LEU 94 -4.006 -3.813 -3.813 680 H ASP 95 H ASP 95 0.390 -6.564 -6.564 681 HA ASP 95 HA ASP 95 1.844 -6.599 -6.599 682 1HB ASP 95 2HB ASP 95 3.357 -8.092 -8.092 683 2HB ASP 95 1HB ASP 95 1.714 -8.681 -8.681 684 H GLY 96 H GLY 96 3.916 -5.721 -5.721 685 1HA GLY 96 2HA GLY 96 5.880 -4.523 -4.523 686 2HA GLY 96 1HA GLY 96 4.890 -3.962 -3.962 687 H ILE 97 H ILE 97 3.450 -3.992 -3.992 688 HA ILE 97 HA ILE 97 2.879 -1.189 -1.189 689 HB ILE 97 HB ILE 97 1.330 -2.780 -2.780 690 1HG1 ILE 97 2HG1 ILE 97 2.331 -1.143 -1.143 691 2HG1 ILE 97 1HG1 ILE 97 1.686 -0.339 -0.339 692 1HG2 ILE 97 1HG2 ILE 97 3.518 -3.175 -3.175 693 2HG2 ILE 97 3HG2 ILE 97 1.887 -3.832 -3.832 694 3HG2 ILE 97 2HG2 ILE 97 2.962 -4.379 -4.379 695 1HD1 ILE 97 2HD1 ILE 97 -0.119 -2.422 -2.422 696 2HD1 ILE 97 1HD1 ILE 97 0.255 -1.629 -1.629 697 3HD1 ILE 97 3HD1 ILE 97 -0.381 -0.687 -0.687 698 H VAL 98 H VAL 98 3.362 0.433 0.433 699 HA VAL 98 HA VAL 98 5.926 0.130 0.130 700 HB VAL 98 HB VAL 98 4.860 2.614 2.614 701 1HG1 VAL 98 3HG1 VAL 98 7.518 1.731 1.731 702 2HG1 VAL 98 2HG1 VAL 98 7.400 3.079 3.079 703 3HG1 VAL 98 1HG1 VAL 98 6.568 3.155 3.155 704 1HG2 VAL 98 1HG2 VAL 98 5.134 0.803 0.803 705 2HG2 VAL 98 3HG2 VAL 98 6.323 2.086 2.086 706 3HG2 VAL 98 2HG2 VAL 98 6.796 0.569 0.569 707 H VAL 99 H VAL 99 5.624 0.602 0.602 708 HA VAL 99 HA VAL 99 3.077 1.959 1.959 709 HB VAL 99 HB VAL 99 5.049 0.767 0.767 710 1HG1 VAL 99 2HG1 VAL 99 2.194 1.440 1.440 711 2HG1 VAL 99 1HG1 VAL 99 2.533 -0.134 -0.134 712 3HG1 VAL 99 3HG1 VAL 99 3.295 1.329 1.329 713 1HG2 VAL 99 3HG2 VAL 99 3.707 -0.648 -0.648 714 2HG2 VAL 99 2HG2 VAL 99 5.086 -1.111 -1.111 715 3HG2 VAL 99 1HG2 VAL 99 3.448 -1.345 -1.345 716 H ASP 100 H ASP 100 3.541 3.144 3.144 717 HA ASP 100 HA ASP 100 6.149 4.381 4.381 718 1HB ASP 100 2HB ASP 100 3.779 5.813 5.813 719 2HB ASP 100 1HB ASP 100 5.036 6.716 6.716 720 H VAL 101 H VAL 101 6.512 5.196 5.196 721 HA VAL 101 HA VAL 101 4.232 5.072 5.072 722 HB VAL 101 HB VAL 101 7.193 5.438 5.438 723 1HG1 VAL 101 3HG1 VAL 101 5.022 5.668 5.668 724 2HG1 VAL 101 2HG1 VAL 101 5.479 3.977 3.977 725 3HG1 VAL 101 1HG1 VAL 101 6.656 5.257 5.257 726 1HG2 VAL 101 1HG2 VAL 101 6.091 3.242 3.242 727 2HG2 VAL 101 3HG2 VAL 101 7.548 3.196 3.196 728 3HG2 VAL 101 2HG2 VAL 101 5.986 2.774 2.774 729 HA PRO 102 HA PRO 102 4.072 9.485 9.485 730 1HB PRO 102 2HB PRO 102 2.128 9.926 9.926 731 2HB PRO 102 1HB PRO 102 1.800 9.342 9.342 732 1HG PRO 102 2HG PRO 102 2.017 7.799 7.799 733 2HG PRO 102 1HG PRO 102 0.857 7.635 7.635 734 1HD PRO 102 2HD PRO 102 2.937 5.960 5.960 735 2HD PRO 102 1HD PRO 102 2.317 6.449 6.449 736 H ASP 103 H ASP 103 3.662 11.269 11.269 737 HA ASP 103 HA ASP 103 5.969 10.707 10.707 738 1HB ASP 103 2HB ASP 103 5.941 13.263 13.263 739 2HB ASP 103 1HB ASP 103 6.350 12.591 12.591 740 H ARG 104 H ARG 104 2.652 10.700 10.700 741 HA ARG 104 HA ARG 104 2.430 11.765 11.765 742 1HB ARG 104 2HB ARG 104 0.256 11.164 11.164 743 2HB ARG 104 1HB ARG 104 0.110 12.139 12.139 744 1HG ARG 104 2HG ARG 104 2.123 12.908 12.908 745 2HG ARG 104 1HG ARG 104 0.430 13.336 13.336 746 1HD ARG 104 2HD ARG 104 1.531 15.189 15.189 747 2HD ARG 104 1HD ARG 104 0.494 14.377 14.377 748 HE ARG 104 HE ARG 104 3.218 13.299 13.299 749 1HH1 ARG 104 1HH2 ARG 104 1.740 16.161 16.161 750 2HH1 ARG 104 2HH2 ARG 104 2.364 16.089 16.089 751 1HH2 ARG 104 1HH1 ARG 104 3.740 12.930 12.930 752 2HH2 ARG 104 2HH1 ARG 104 3.496 14.260 14.260 753 H GLN 105 H GLN 105 3.370 9.618 9.618 754 HA GLN 105 HA GLN 105 1.348 7.407 7.407 755 1HB GLN 105 2HB GLN 105 3.593 7.002 7.002 756 2HB GLN 105 1HB GLN 105 4.331 7.358 7.358 757 1HG GLN 105 2HG GLN 105 2.174 5.362 5.362 758 2HG GLN 105 1HG GLN 105 3.554 4.851 4.851 759 1HE2 GLN 105 2HE2 GLN 105 5.852 5.045 5.045 760 2HE2 GLN 105 1HE2 GLN 105 5.788 5.384 5.384 761 H TRP 106 H TRP 106 2.325 9.838 9.838 762 HA TRP 106 HA TRP 106 1.533 8.279 8.279 763 1HB TRP 106 2HB TRP 106 3.525 8.705 8.705 764 2HB TRP 106 1HB TRP 106 4.128 8.780 8.780 765 HD1 TRP 106 HD TRP 106 5.466 10.875 10.875 766 HE1 TRP 106 1HE TRP 106 5.583 13.276 13.276 767 HE3 TRP 106 3HE TRP 106 1.756 10.629 10.629 768 HZ2 TRP 106 2HZ TRP 106 4.268 14.881 14.881 769 HZ3 TRP 106 3HZ TRP 106 1.205 12.603 12.603 770 HH2 TRP 106 HH TRP 106 2.456 14.727 14.727 Start of MODEL 13 1 1H SER 1 3HT SER 1 2.087 -9.949 -9.949 2 2H SER 1 2HT SER 1 0.682 -9.646 -9.646 3 3H SER 1 1HT SER 1 1.292 -11.222 -11.222 4 HA SER 1 HA SER 1 2.584 -10.926 -10.926 5 1HB SER 1 2HB SER 1 0.640 -8.819 -8.819 6 2HB SER 1 1HB SER 1 2.117 -8.172 -8.172 7 HG SER 1 HG SER 1 0.599 -9.262 -9.262 8 H LYS 2 H LYS 2 3.893 -8.559 -8.559 9 HA LYS 2 HA LYS 2 6.218 -8.507 -8.507 10 1HB LYS 2 2HB LYS 2 5.796 -8.316 -8.316 11 2HB LYS 2 1HB LYS 2 5.966 -6.611 -6.611 12 1HG LYS 2 2HG LYS 2 8.090 -7.204 -7.204 13 2HG LYS 2 1HG LYS 2 7.947 -8.835 -8.835 14 1HD LYS 2 2HD LYS 2 9.278 -7.875 -7.875 15 2HD LYS 2 1HD LYS 2 7.684 -7.507 -7.507 16 1HE LYS 2 2HE LYS 2 7.965 -5.269 -5.269 17 2HE LYS 2 1HE LYS 2 8.632 -5.498 -5.498 18 1HZ LYS 2 2HZ LYS 2 10.250 -6.479 -6.479 19 2HZ LYS 2 1HZ LYS 2 10.130 -4.789 -4.789 20 3HZ LYS 2 3HZ LYS 2 10.729 -5.701 -5.701 21 H VAL 3 H VAL 3 6.272 -7.083 -7.083 22 HA VAL 3 HA VAL 3 4.798 -4.508 -4.508 23 HB VAL 3 HB VAL 3 5.026 -6.479 -6.479 24 1HG1 VAL 3 1HG1 VAL 3 4.459 -3.532 -3.532 25 2HG1 VAL 3 3HG1 VAL 3 3.666 -4.633 -4.633 26 3HG1 VAL 3 2HG1 VAL 3 5.427 -4.526 -4.526 27 1HG2 VAL 3 2HG2 VAL 3 2.904 -5.289 -5.289 28 2HG2 VAL 3 1HG2 VAL 3 3.107 -6.955 -6.955 29 3HG2 VAL 3 3HG2 VAL 3 2.467 -5.740 -5.740 30 H VAL 4 H VAL 4 5.757 -2.648 -2.648 31 HA VAL 4 HA VAL 4 8.517 -2.929 -2.929 32 HB VAL 4 HB VAL 4 7.471 -1.322 -1.322 33 1HG1 VAL 4 2HG1 VAL 4 9.564 -0.521 -0.521 34 2HG1 VAL 4 1HG1 VAL 4 9.898 -0.225 -0.225 35 3HG1 VAL 4 3HG1 VAL 4 8.475 0.490 0.490 36 1HG2 VAL 4 3HG2 VAL 4 9.114 -3.573 -3.573 37 2HG2 VAL 4 2HG2 VAL 4 8.853 -2.648 -2.648 38 3HG2 VAL 4 1HG2 VAL 4 10.209 -2.257 -2.257 39 H TYR 5 H TYR 5 8.753 -1.864 -1.864 40 HA TYR 5 HA TYR 5 6.571 -0.048 -0.048 41 1HB TYR 5 2HB TYR 5 8.699 -1.750 -1.750 42 2HB TYR 5 1HB TYR 5 7.631 -0.726 -0.726 43 HD1 TYR 5 2HD TYR 5 5.089 -0.874 -0.874 44 HD2 TYR 5 1HD TYR 5 8.059 -3.980 -3.980 45 HE1 TYR 5 2HE TYR 5 3.320 -2.572 -2.572 46 HE2 TYR 5 1HE TYR 5 6.309 -5.624 -5.624 47 HH TYR 5 HH TYR 5 4.090 -5.982 -5.982 48 H VAL 6 H VAL 6 6.976 2.009 2.009 49 HA VAL 6 HA VAL 6 9.868 2.875 2.875 50 HB VAL 6 HB VAL 6 7.540 4.666 4.666 51 1HG1 VAL 6 2HG1 VAL 6 10.116 5.272 5.272 52 2HG1 VAL 6 1HG1 VAL 6 10.271 4.965 4.965 53 3HG1 VAL 6 3HG1 VAL 6 9.154 6.201 6.201 54 1HG2 VAL 6 1HG2 VAL 6 7.694 2.626 2.626 55 2HG2 VAL 6 3HG2 VAL 6 7.868 4.173 4.173 56 3HG2 VAL 6 2HG2 VAL 6 9.294 3.190 3.190 57 H SER 7 H SER 7 10.493 3.736 3.736 58 HA SER 7 HA SER 7 8.505 4.041 4.041 59 1HB SER 7 2HB SER 7 10.545 4.642 4.642 60 2HB SER 7 1HB SER 7 10.773 3.150 3.150 61 HG SER 7 HG SER 7 11.965 4.252 4.252 62 H HIS 8 H HIS 8 9.856 6.410 6.410 63 HA HIS 8 HA HIS 8 8.757 8.459 8.459 64 1HB HIS 8 2HB HIS 8 8.921 9.696 9.696 65 2HB HIS 8 1HB HIS 8 7.484 8.897 8.897 66 HD1 HIS 8 1HD HIS 8 6.535 7.333 7.333 67 HD2 HIS 8 2HD HIS 8 10.661 7.563 7.563 68 HE1 HIS 8 1HE HIS 8 7.120 5.758 5.758 69 H ASP 9 H ASP 9 11.583 7.207 7.207 70 HA ASP 9 HA ASP 9 13.099 9.756 9.756 71 1HB ASP 9 2HB ASP 9 14.856 8.479 8.479 72 2HB ASP 9 1HB ASP 9 13.334 8.358 8.358 73 H GLY 10 H GLY 10 12.081 7.272 7.272 74 1HA GLY 10 2HA GLY 10 12.867 7.254 7.254 75 2HA GLY 10 1HA GLY 10 14.503 7.478 7.478 76 H THR 11 H THR 11 14.120 5.486 5.486 77 HA THR 11 HA THR 11 15.153 3.193 3.193 78 HB THR 11 HB THR 11 14.164 4.086 4.086 79 HG1 THR 11 1HG THR 11 15.602 2.391 2.391 80 1HG2 THR 11 3HG2 THR 11 12.294 2.414 2.414 81 2HG2 THR 11 2HG2 THR 11 13.534 1.166 1.166 82 3HG2 THR 11 1HG2 THR 11 13.155 2.160 2.160 83 H ARG 12 H ARG 12 14.280 1.529 1.529 84 HA ARG 12 HA ARG 12 11.299 1.401 1.401 85 1HB ARG 12 2HB ARG 12 13.512 1.677 1.677 86 2HB ARG 12 1HB ARG 12 12.241 0.543 0.543 87 1HG ARG 12 2HG ARG 12 10.543 2.292 2.292 88 2HG ARG 12 1HG ARG 12 11.823 3.430 3.430 89 1HD ARG 12 2HD ARG 12 12.448 2.197 2.197 90 2HD ARG 12 1HD ARG 12 10.814 2.889 2.889 91 HE ARG 12 HE ARG 12 12.330 4.815 4.815 92 1HH1 ARG 12 1HH1 ARG 12 11.824 3.521 3.521 93 2HH1 ARG 12 2HH1 ARG 12 12.881 4.635 4.635 94 1HH2 ARG 12 1HH2 ARG 12 13.990 6.103 6.103 95 2HH2 ARG 12 2HH2 ARG 12 14.107 6.098 6.098 96 H ARG 13 H ARG 13 10.435 -0.754 -0.754 97 HA ARG 13 HA ARG 13 12.380 -3.010 -3.010 98 1HB ARG 13 2HB ARG 13 10.162 -3.960 -3.960 99 2HB ARG 13 1HB ARG 13 11.583 -3.296 -3.296 100 1HG ARG 13 2HG ARG 13 9.952 -1.072 -1.072 101 2HG ARG 13 1HG ARG 13 8.865 -2.317 -2.317 102 1HD ARG 13 2HD ARG 13 10.546 -2.613 -2.613 103 2HD ARG 13 1HD ARG 13 11.255 -1.078 -1.078 104 HE ARG 13 HE ARG 13 8.864 -1.248 -1.248 105 1HH1 ARG 13 1HH2 ARG 13 10.427 0.490 0.490 106 2HH1 ARG 13 2HH2 ARG 13 9.133 1.618 1.618 107 1HH2 ARG 13 1HH1 ARG 13 6.992 0.022 0.022 108 2HH2 ARG 13 2HH1 ARG 13 7.188 1.353 1.353 109 H GLU 14 H GLU 14 12.114 -4.340 -4.340 110 HA GLU 14 HA GLU 14 9.587 -4.218 -4.218 111 1HB GLU 14 2HB GLU 14 11.943 -5.916 -5.916 112 2HB GLU 14 1HB GLU 14 10.903 -4.946 -4.946 113 1HG GLU 14 2HG GLU 14 13.162 -4.007 -4.007 114 2HG GLU 14 1HG GLU 14 12.983 -3.794 -3.794 115 H LEU 15 H LEU 15 8.031 -5.779 -5.779 116 HA LEU 15 HA LEU 15 8.873 -8.306 -8.306 117 1HB LEU 15 2HB LEU 15 6.486 -6.542 -6.542 118 2HB LEU 15 1HB LEU 15 6.161 -8.269 -8.269 119 HG LEU 15 HG LEU 15 7.870 -6.588 -6.588 120 1HD1 LEU 15 3HD1 LEU 15 5.156 -7.287 -7.287 121 2HD1 LEU 15 2HD1 LEU 15 5.929 -8.420 -8.420 122 3HD1 LEU 15 1HD1 LEU 15 6.099 -6.686 -6.686 123 1HD2 LEU 15 1HD2 LEU 15 8.542 -9.109 -9.109 124 2HD2 LEU 15 3HD2 LEU 15 8.763 -8.415 -8.415 125 3HD2 LEU 15 2HD2 LEU 15 7.342 -9.419 -9.419 126 H ASP 16 H ASP 16 8.205 -10.291 -10.291 127 HA ASP 16 HA ASP 16 7.186 -10.289 -10.289 128 1HB ASP 16 2HB ASP 16 8.551 -12.441 -12.441 129 2HB ASP 16 1HB ASP 16 8.195 -12.542 -12.542 130 H VAL 17 H VAL 17 4.981 -9.921 -9.921 131 HA VAL 17 HA VAL 17 3.832 -12.000 -12.000 132 HB VAL 17 HB VAL 17 3.060 -9.269 -9.269 133 1HG1 VAL 17 1HG1 VAL 17 1.298 -11.198 -11.198 134 2HG1 VAL 17 3HG1 VAL 17 0.923 -9.502 -9.502 135 3HG1 VAL 17 2HG1 VAL 17 1.023 -10.646 -10.646 136 1HG2 VAL 17 1HG2 VAL 17 4.294 -10.331 -10.331 137 2HG2 VAL 17 3HG2 VAL 17 3.860 -8.654 -8.654 138 3HG2 VAL 17 2HG2 VAL 17 2.708 -9.722 -9.722 139 H ALA 18 H ALA 18 1.512 -12.675 -12.675 140 HA ALA 18 HA ALA 18 1.457 -13.289 -13.289 141 1HB ALA 18 2HB ALA 18 1.976 -15.187 -15.187 142 2HB ALA 18 1HB ALA 18 0.425 -14.925 -14.925 143 3HB ALA 18 3HB ALA 18 0.469 -15.429 -15.429 144 H ASP 19 H ASP 19 -1.186 -14.624 -14.624 145 HA ASP 19 HA ASP 19 -2.869 -12.192 -12.192 146 1HB ASP 19 2HB ASP 19 -4.184 -13.494 -13.494 147 2HB ASP 19 1HB ASP 19 -2.575 -14.162 -14.162 148 H GLY 20 H GLY 20 -4.368 -11.796 -11.796 149 1HA GLY 20 2HA GLY 20 -6.053 -12.454 -12.454 150 2HA GLY 20 1HA GLY 20 -5.183 -13.973 -13.973 151 H VAL 21 H VAL 21 -2.814 -11.742 -11.742 152 HA VAL 21 HA VAL 21 -2.644 -11.552 -11.552 153 HB VAL 21 HB VAL 21 -0.770 -11.524 -11.524 154 1HG1 VAL 21 1HG1 VAL 21 -0.278 -10.307 -10.307 155 2HG1 VAL 21 3HG1 VAL 21 1.043 -10.888 -10.888 156 3HG1 VAL 21 2HG1 VAL 21 -0.001 -9.587 -9.587 157 1HG2 VAL 21 2HG2 VAL 21 -1.415 -13.265 -13.265 158 2HG2 VAL 21 1HG2 VAL 21 -0.326 -13.573 -13.573 159 3HG2 VAL 21 3HG2 VAL 21 0.286 -12.796 -12.796 160 H SER 22 H SER 22 -1.546 -9.525 -9.525 161 HA SER 22 HA SER 22 -2.586 -7.074 -7.074 162 1HB SER 22 2HB SER 22 -2.098 -6.688 -6.688 163 2HB SER 22 1HB SER 22 -3.636 -6.656 -6.656 164 HG SER 22 HG SER 22 -3.783 -8.886 -8.886 165 H LEU 23 H LEU 23 -1.191 -5.084 -5.084 166 HA LEU 23 HA LEU 23 1.583 -5.647 -5.647 167 1HB LEU 23 2HB LEU 23 0.273 -3.169 -3.169 168 2HB LEU 23 1HB LEU 23 1.857 -3.242 -3.242 169 HG LEU 23 HG LEU 23 -0.808 -3.599 -3.599 170 1HD1 LEU 23 2HD1 LEU 23 0.506 -1.340 -1.340 171 2HD1 LEU 23 1HD1 LEU 23 1.498 -1.939 -1.939 172 3HD1 LEU 23 3HD1 LEU 23 -0.233 -1.685 -1.685 173 1HD2 LEU 23 3HD2 LEU 23 1.864 -4.692 -4.692 174 2HD2 LEU 23 2HD2 LEU 23 0.259 -5.270 -5.270 175 3HD2 LEU 23 1HD2 LEU 23 0.975 -3.904 -3.904 176 H MET 24 H MET 24 -0.248 -5.779 -5.779 177 HA MET 24 HA MET 24 2.053 -5.286 -5.286 178 1HB MET 24 2HB MET 24 -0.129 -4.420 -4.420 179 2HB MET 24 1HB MET 24 -0.824 -6.040 -6.040 180 1HG MET 24 2HG MET 24 1.526 -5.680 -5.680 181 2HG MET 24 1HG MET 24 0.014 -4.942 -4.942 182 1HE MET 24 2HE MET 24 0.179 -6.007 -6.007 183 2HE MET 24 1HE MET 24 -1.411 -6.777 -6.777 184 3HE MET 24 3HE MET 24 0.022 -7.722 -7.722 185 H GLN 25 H GLN 25 -0.310 -7.909 -7.909 186 HA GLN 25 HA GLN 25 0.973 -9.755 -9.755 187 1HB GLN 25 2HB GLN 25 -0.901 -10.833 -10.833 188 2HB GLN 25 1HB GLN 25 -1.057 -9.643 -9.643 189 1HG GLN 25 2HG GLN 25 0.618 -12.150 -12.150 190 2HG GLN 25 1HG GLN 25 -0.981 -11.937 -11.937 191 1HE2 GLN 25 2HE2 GLN 25 0.710 -9.014 -9.014 192 2HE2 GLN 25 1HE2 GLN 25 -0.293 -8.968 -8.968 193 H ALA 26 H ALA 26 2.133 -8.843 -8.843 194 HA ALA 26 HA ALA 26 3.965 -11.178 -11.178 195 1HB ALA 26 2HB ALA 26 3.266 -8.829 -8.829 196 2HB ALA 26 1HB ALA 26 4.780 -9.715 -9.715 197 3HB ALA 26 3HB ALA 26 3.210 -10.555 -10.555 198 H ALA 27 H ALA 27 4.104 -7.639 -7.639 199 HA ALA 27 HA ALA 27 6.877 -7.303 -7.303 200 1HB ALA 27 3HB ALA 27 4.328 -5.850 -5.850 201 2HB ALA 27 2HB ALA 27 5.469 -5.230 -5.230 202 3HB ALA 27 1HB ALA 27 5.916 -5.293 -5.293 203 H VAL 28 H VAL 28 3.989 -7.553 -7.553 204 HA VAL 28 HA VAL 28 4.895 -7.288 -7.288 205 HB VAL 28 HB VAL 28 2.765 -8.437 -8.437 206 1HG1 VAL 28 2HG1 VAL 28 3.887 -10.285 -10.285 207 2HG1 VAL 28 1HG1 VAL 28 2.141 -10.175 -10.175 208 3HG1 VAL 28 3HG1 VAL 28 3.152 -10.673 -10.673 209 1HG2 VAL 28 2HG2 VAL 28 3.099 -7.581 -7.581 210 2HG2 VAL 28 1HG2 VAL 28 2.273 -6.745 -6.745 211 3HG2 VAL 28 3HG2 VAL 28 1.572 -8.205 -8.205 212 H SER 29 H SER 29 4.786 -10.418 -10.418 213 HA SER 29 HA SER 29 6.433 -11.896 -11.896 214 1HB SER 29 2HB SER 29 6.816 -12.675 -12.675 215 2HB SER 29 1HB SER 29 5.792 -13.448 -13.448 216 HG SER 29 HG SER 29 4.878 -12.440 -12.440 217 H ASN 30 H ASN 30 7.060 -9.800 -9.800 218 HA ASN 30 HA ASN 30 9.920 -10.314 -10.314 219 1HB ASN 30 2HB ASN 30 7.755 -8.768 -8.768 220 2HB ASN 30 1HB ASN 30 9.294 -7.917 -7.917 221 1HD2 ASN 30 2HD2 ASN 30 8.681 -11.107 -11.107 222 2HD2 ASN 30 1HD2 ASN 30 7.478 -10.536 -10.536 223 H GLY 31 H GLY 31 8.245 -9.096 -9.096 224 1HA GLY 31 2HA GLY 31 8.760 -7.634 -7.634 225 2HA GLY 31 1HA GLY 31 10.427 -7.683 -7.683 226 H ILE 32 H ILE 32 8.190 -6.689 -6.689 227 HA ILE 32 HA ILE 32 9.341 -4.035 -4.035 228 HB ILE 32 HB ILE 32 7.189 -5.635 -5.635 229 1HG1 ILE 32 2HG1 ILE 32 9.734 -4.283 -4.283 230 2HG1 ILE 32 1HG1 ILE 32 9.444 -6.016 -6.016 231 1HG2 ILE 32 3HG2 ILE 32 7.723 -2.695 -2.695 232 2HG2 ILE 32 2HG2 ILE 32 6.703 -3.734 -3.734 233 3HG2 ILE 32 1HG2 ILE 32 6.233 -3.371 -3.371 234 1HD1 ILE 32 3HD1 ILE 32 7.645 -5.825 -5.825 235 2HD1 ILE 32 2HD1 ILE 32 8.086 -4.132 -4.132 236 3HD1 ILE 32 1HD1 ILE 32 9.241 -5.404 -5.404 237 H TYR 33 H TYR 33 6.342 -5.396 -5.396 238 HA TYR 33 HA TYR 33 5.512 -2.638 -2.638 239 1HB TYR 33 2HB TYR 33 4.096 -5.277 -5.277 240 2HB TYR 33 1HB TYR 33 3.347 -3.941 -3.941 241 HD1 TYR 33 1HD TYR 33 3.216 -1.648 -1.648 242 HD2 TYR 33 2HD TYR 33 4.158 -5.295 -5.295 243 HE1 TYR 33 1HE TYR 33 2.667 -0.562 -0.562 244 HE2 TYR 33 2HE TYR 33 3.606 -4.257 -4.257 245 HH TYR 33 HH TYR 33 2.940 -0.804 -0.804 246 H ASP 34 H ASP 34 7.611 -3.436 -3.436 247 HA ASP 34 HA ASP 34 6.708 -4.775 -4.775 248 1HB ASP 34 2HB ASP 34 8.981 -4.351 -4.351 249 2HB ASP 34 1HB ASP 34 9.059 -4.755 -4.755 250 H ILE 35 H ILE 35 4.949 -2.717 -2.717 251 HA ILE 35 HA ILE 35 5.678 -0.212 -0.212 252 HB ILE 35 HB ILE 35 3.408 0.381 0.381 253 1HG1 ILE 35 2HG1 ILE 35 3.054 -2.617 -2.617 254 2HG1 ILE 35 1HG1 ILE 35 2.170 -1.509 -1.509 255 1HG2 ILE 35 1HG2 ILE 35 4.740 -1.463 -1.463 256 2HG2 ILE 35 3HG2 ILE 35 3.382 -0.410 -0.410 257 3HG2 ILE 35 2HG2 ILE 35 4.918 0.285 0.285 258 1HD1 ILE 35 1HD1 ILE 35 1.585 -0.354 -0.354 259 2HD1 ILE 35 3HD1 ILE 35 1.873 -1.987 -1.987 260 3HD1 ILE 35 2HD1 ILE 35 0.633 -1.701 -1.701 261 H VAL 36 H VAL 36 2.925 -0.038 -0.038 262 HA VAL 36 HA VAL 36 3.662 -1.077 -1.077 263 HB VAL 36 HB VAL 36 1.450 0.620 0.620 264 1HG1 VAL 36 3HG1 VAL 36 1.414 -0.932 -0.932 265 2HG1 VAL 36 2HG1 VAL 36 1.343 0.794 0.794 266 3HG1 VAL 36 1HG1 VAL 36 0.138 0.060 0.060 267 1HG2 VAL 36 1HG2 VAL 36 4.055 1.076 1.076 268 2HG2 VAL 36 3HG2 VAL 36 2.927 2.257 2.257 269 3HG2 VAL 36 2HG2 VAL 36 2.839 1.817 1.817 270 H GLY 37 H GLY 37 0.331 -1.051 -1.051 271 1HA GLY 37 2HA GLY 37 -0.033 -3.793 -3.793 272 2HA GLY 37 1HA GLY 37 -1.293 -2.750 -2.750 273 H ASP 38 H ASP 38 -1.525 -5.199 -5.199 274 HA ASP 38 HA ASP 38 -0.161 -5.218 -5.218 275 1HB ASP 38 2HB ASP 38 -0.505 -7.704 -7.704 276 2HB ASP 38 1HB ASP 38 0.531 -7.052 -7.052 277 H CYS 39 H CYS 39 -1.516 -6.165 -6.165 278 HA CYS 39 HA CYS 39 -4.421 -5.580 -5.580 279 1HB CYS 39 2HB CYS 39 -3.830 -5.672 -5.672 280 2HB CYS 39 1HB CYS 39 -4.250 -4.282 -4.282 281 H GLY 40 H GLY 40 -2.116 -7.983 -7.983 282 1HA GLY 40 2HA GLY 40 -2.448 -10.155 -10.155 283 2HA GLY 40 1HA GLY 40 -3.620 -10.235 -10.235 284 H GLY 41 H GLY 41 -4.027 -7.983 -7.983 285 1HA GLY 41 2HA GLY 41 -5.502 -8.053 -8.053 286 2HA GLY 41 1HA GLY 41 -5.818 -9.751 -9.751 287 H SER 42 H SER 42 -6.118 -7.226 -7.226 288 HA SER 42 HA SER 42 -9.081 -7.673 -7.673 289 1HB SER 42 2HB SER 42 -7.606 -8.544 -8.544 290 2HB SER 42 1HB SER 42 -7.339 -6.855 -6.855 291 HG SER 42 HG SER 42 -9.643 -8.422 -8.422 292 H ALA 43 H ALA 43 -6.472 -5.320 -5.320 293 HA ALA 43 HA ALA 43 -6.476 -3.003 -3.003 294 1HB ALA 43 2HB ALA 43 -8.184 -3.933 -3.933 295 2HB ALA 43 1HB ALA 43 -9.398 -3.248 -3.248 296 3HB ALA 43 3HB ALA 43 -8.189 -2.203 -2.203 297 H SER 44 H SER 44 -6.518 -3.455 -3.455 298 HA SER 44 HA SER 44 -8.577 -1.584 -1.584 299 1HB SER 44 2HB SER 44 -9.315 -3.649 -3.649 300 2HB SER 44 1HB SER 44 -7.691 -4.333 -4.333 301 HG SER 44 HG SER 44 -7.416 -3.577 -3.577 302 H CYS 45 H CYS 45 -5.673 -1.512 -1.512 303 HA CYS 45 HA CYS 45 -4.330 -0.700 -0.700 304 1HB CYS 45 2HB CYS 45 -2.473 -0.983 -0.983 305 2HB CYS 45 1HB CYS 45 -2.651 -2.003 -2.003 306 H ALA 46 H ALA 46 -2.833 1.187 1.187 307 HA ALA 46 HA ALA 46 -3.913 3.217 3.217 308 1HB ALA 46 3HB ALA 46 -2.786 3.300 3.300 309 2HB ALA 46 2HB ALA 46 -2.943 4.768 4.768 310 3HB ALA 46 1HB ALA 46 -4.375 3.822 3.822 311 H THR 47 H THR 47 -1.096 1.358 1.358 312 HA THR 47 HA THR 47 0.633 3.577 3.577 313 HB THR 47 HB THR 47 2.450 1.952 1.952 314 HG1 THR 47 1HG THR 47 0.515 0.313 0.313 315 1HG2 THR 47 3HG2 THR 47 1.761 3.921 3.921 316 2HG2 THR 47 2HG2 THR 47 0.473 2.973 2.973 317 3HG2 THR 47 1HG2 THR 47 2.159 2.565 2.565 318 H CYS 48 H CYS 48 -1.185 1.820 1.820 319 HA CYS 48 HA CYS 48 0.949 0.586 0.586 320 1HB CYS 48 2HB CYS 48 -1.657 -0.318 -0.318 321 2HB CYS 48 1HB CYS 48 -0.345 -1.252 -1.252 322 H HIS 49 H HIS 49 -1.088 3.201 3.201 323 HA HIS 49 HA HIS 49 -2.355 3.676 3.676 324 1HB HIS 49 2HB HIS 49 -2.183 5.199 5.199 325 2HB HIS 49 1HB HIS 49 -0.502 5.527 5.527 326 HD1 HIS 49 1HD HIS 49 -2.851 7.685 7.685 327 HD2 HIS 49 2HD HIS 49 -1.295 5.853 5.853 328 HE1 HIS 49 1HE HIS 49 -3.338 9.237 9.237 329 H VAL 50 H VAL 50 -1.557 3.660 3.660 330 HA VAL 50 HA VAL 50 1.350 4.203 4.203 331 HB VAL 50 HB VAL 50 1.361 2.242 2.242 332 1HG1 VAL 50 2HG1 VAL 50 1.254 2.237 2.237 333 2HG1 VAL 50 1HG1 VAL 50 0.805 0.672 0.672 334 3HG1 VAL 50 3HG1 VAL 50 2.362 1.397 1.397 335 1HG2 VAL 50 3HG2 VAL 50 -1.187 2.278 2.278 336 2HG2 VAL 50 2HG2 VAL 50 -0.447 0.688 0.688 337 3HG2 VAL 50 1HG2 VAL 50 -1.215 1.483 1.483 338 H TYR 51 H TYR 51 1.873 4.690 4.690 339 HA TYR 51 HA TYR 51 -0.427 5.891 5.891 340 1HB TYR 51 2HB TYR 51 2.380 6.694 6.694 341 2HB TYR 51 1HB TYR 51 1.631 7.342 7.342 342 HD1 TYR 51 2HD TYR 51 -1.027 6.697 6.697 343 HD2 TYR 51 1HD TYR 51 2.266 9.442 9.442 344 HE1 TYR 51 2HE TYR 51 -2.263 8.417 8.417 345 HE2 TYR 51 1HE TYR 51 0.998 11.178 11.178 346 HH TYR 51 HH TYR 51 -1.064 10.871 10.871 347 H VAL 52 H VAL 52 -0.816 4.893 4.893 348 HA VAL 52 HA VAL 52 1.262 3.154 3.154 349 HB VAL 52 HB VAL 52 -1.597 3.689 3.689 350 1HG1 VAL 52 1HG1 VAL 52 0.296 1.347 1.347 351 2HG1 VAL 52 3HG1 VAL 52 -1.385 1.394 1.394 352 3HG1 VAL 52 2HG1 VAL 52 -0.210 2.509 2.509 353 1HG2 VAL 52 2HG2 VAL 52 -0.567 2.321 2.321 354 2HG2 VAL 52 1HG2 VAL 52 -2.233 2.723 2.723 355 3HG2 VAL 52 3HG2 VAL 52 -1.503 1.236 1.236 356 H ASN 53 H ASN 53 1.383 3.430 3.430 357 HA ASN 53 HA ASN 53 2.161 6.192 6.192 358 1HB ASN 53 2HB ASN 53 2.589 5.128 5.128 359 2HB ASN 53 1HB ASN 53 3.400 4.325 4.325 360 1HD2 ASN 53 2HD2 ASN 53 1.568 1.356 1.356 361 2HD2 ASN 53 1HD2 ASN 53 2.727 2.209 2.209 362 H GLU 54 H GLU 54 1.164 6.069 6.069 363 HA GLU 54 HA GLU 54 -1.617 6.982 6.982 364 1HB GLU 54 2HB GLU 54 -1.319 8.255 8.255 365 2HB GLU 54 1HB GLU 54 0.089 8.499 8.499 366 1HG GLU 54 2HG GLU 54 0.675 6.204 6.204 367 2HG GLU 54 1HG GLU 54 -0.042 7.343 7.343 368 H ALA 55 H ALA 55 0.109 4.398 4.398 369 HA ALA 55 HA ALA 55 -2.175 3.785 3.785 370 1HB ALA 55 2HB ALA 55 0.640 3.611 3.611 371 2HB ALA 55 1HB ALA 55 0.041 1.952 1.952 372 3HB ALA 55 3HB ALA 55 -0.504 3.119 3.119 373 H PHE 56 H PHE 56 -0.443 2.238 2.238 374 HA PHE 56 HA PHE 56 -2.032 -0.218 -0.218 375 1HB PHE 56 2HB PHE 56 -0.063 0.822 0.822 376 2HB PHE 56 1HB PHE 56 -0.771 -0.778 -0.778 377 HD1 PHE 56 1HD PHE 56 1.297 1.482 1.482 378 HD2 PHE 56 2HD PHE 56 0.137 -2.636 -2.636 379 HE1 PHE 56 1HE PHE 56 2.966 0.729 0.729 380 HE2 PHE 56 2HE PHE 56 1.794 -3.318 -3.318 381 HZ PHE 56 HZ PHE 56 3.220 -1.679 -1.679 382 H THR 57 H THR 57 -2.532 2.804 2.804 383 HA THR 57 HA THR 57 -4.168 1.710 1.710 384 HB THR 57 HB THR 57 -4.137 3.869 3.869 385 HG1 THR 57 1HG THR 57 -5.403 5.071 5.071 386 1HG2 THR 57 2HG2 THR 57 -1.824 3.341 3.341 387 2HG2 THR 57 1HG2 THR 57 -2.323 4.725 4.725 388 3HG2 THR 57 3HG2 THR 57 -2.125 4.894 4.894 389 H ASP 58 H ASP 58 -4.673 2.859 2.859 390 HA ASP 58 HA ASP 58 -7.621 2.940 2.940 391 1HB ASP 58 2HB ASP 58 -6.838 3.134 3.134 392 2HB ASP 58 1HB ASP 58 -7.458 4.408 4.408 393 H LYS 59 H LYS 59 -5.127 0.807 0.807 394 HA LYS 59 HA LYS 59 -6.927 -0.945 -0.945 395 1HB LYS 59 2HB LYS 59 -4.099 -1.180 -1.180 396 2HB LYS 59 1HB LYS 59 -4.846 -2.377 -2.377 397 1HG LYS 59 2HG LYS 59 -4.434 0.554 0.554 398 2HG LYS 59 1HG LYS 59 -3.474 -0.785 -0.785 399 1HD LYS 59 2HD LYS 59 -5.974 -1.660 -1.660 400 2HD LYS 59 1HD LYS 59 -6.211 0.084 0.084 401 1HE LYS 59 2HE LYS 59 -3.735 -0.981 -0.981 402 2HE LYS 59 1HE LYS 59 -5.269 -1.384 -1.384 403 1HZ LYS 59 2HZ LYS 59 -4.619 1.351 1.351 404 2HZ LYS 59 1HZ LYS 59 -4.272 0.825 0.825 405 3HZ LYS 59 3HZ LYS 59 -5.879 0.879 0.879 406 H VAL 60 H VAL 60 -5.122 -1.181 -1.181 407 HA VAL 60 HA VAL 60 -5.940 -3.581 -3.581 408 HB VAL 60 HB VAL 60 -5.882 -2.266 -2.266 409 1HG1 VAL 60 3HG1 VAL 60 -3.716 -2.122 -2.122 410 2HG1 VAL 60 2HG1 VAL 60 -3.464 -1.489 -1.489 411 3HG1 VAL 60 1HG1 VAL 60 -3.834 -3.198 -3.198 412 1HG2 VAL 60 3HG2 VAL 60 -5.565 -0.009 -0.009 413 2HG2 VAL 60 2HG2 VAL 60 -6.749 -0.146 -0.146 414 3HG2 VAL 60 1HG2 VAL 60 -5.049 0.111 0.111 415 HA PRO 61 HA PRO 61 -10.288 -3.549 -3.549 416 1HB PRO 61 2HB PRO 61 -10.539 -4.505 -4.505 417 2HB PRO 61 1HB PRO 61 -10.115 -5.522 -5.522 418 1HG PRO 61 2HG PRO 61 -8.339 -4.316 -4.316 419 2HG PRO 61 1HG PRO 61 -8.290 -5.936 -5.936 420 1HD PRO 61 2HD PRO 61 -6.604 -3.980 -3.980 421 2HD PRO 61 1HD PRO 61 -7.214 -5.209 -5.209 422 H ALA 62 H ALA 62 -12.003 -2.666 -2.666 423 HA ALA 62 HA ALA 62 -11.434 0.054 0.054 424 1HB ALA 62 3HB ALA 62 -13.466 -1.431 -1.431 425 2HB ALA 62 2HB ALA 62 -14.113 -1.033 -1.033 426 3HB ALA 62 1HB ALA 62 -13.587 0.255 0.255 427 H ALA 63 H ALA 63 -10.696 0.369 0.369 428 HA ALA 63 HA ALA 63 -11.010 -1.520 -1.520 429 1HB ALA 63 3HB ALA 63 -9.510 0.705 0.705 430 2HB ALA 63 2HB ALA 63 -10.529 1.295 1.295 431 3HB ALA 63 1HB ALA 63 -9.494 -0.112 -0.112 432 H ASN 64 H ASN 64 -12.158 -1.016 -1.016 433 HA ASN 64 HA ASN 64 -14.857 0.131 0.131 434 1HB ASN 64 2HB ASN 64 -15.524 -1.236 -1.236 435 2HB ASN 64 1HB ASN 64 -14.439 -2.211 -2.211 436 1HD2 ASN 64 2HD2 ASN 64 -13.233 -2.572 -2.572 437 2HD2 ASN 64 1HD2 ASN 64 -14.616 -3.022 -3.022 438 H GLU 65 H GLU 65 -15.287 0.358 0.358 439 HA GLU 65 HA GLU 65 -14.606 3.158 3.158 440 1HB GLU 65 2HB GLU 65 -15.895 2.918 2.918 441 2HB GLU 65 1HB GLU 65 -16.627 1.816 1.816 442 1HG GLU 65 2HG GLU 65 -14.829 0.132 0.132 443 2HG GLU 65 1HG GLU 65 -15.035 1.202 1.202 444 H ARG 66 H ARG 66 -13.152 0.119 0.119 445 HA ARG 66 HA ARG 66 -11.490 1.173 1.173 446 1HB ARG 66 2HB ARG 66 -11.940 -1.278 -1.278 447 2HB ARG 66 1HB ARG 66 -10.215 -0.931 -0.931 448 1HG ARG 66 2HG ARG 66 -11.465 -2.254 -2.254 449 2HG ARG 66 1HG ARG 66 -9.906 -1.457 -1.457 450 1HD ARG 66 2HD ARG 66 -11.537 -0.865 -0.865 451 2HD ARG 66 1HD ARG 66 -10.923 0.534 0.534 452 HE ARG 66 HE ARG 66 -13.183 -0.240 -0.240 453 1HH1 ARG 66 1HH2 ARG 66 -14.827 -1.156 -1.156 454 2HH1 ARG 66 2HH2 ARG 66 -15.368 0.227 0.227 455 1HH2 ARG 66 1HH1 ARG 66 -12.860 2.305 2.305 456 2HH2 ARG 66 2HH1 ARG 66 -14.254 2.186 2.186 457 H GLU 67 H GLU 67 -10.888 0.658 0.658 458 HA GLU 67 HA GLU 67 -8.231 1.628 1.628 459 1HB GLU 67 2HB GLU 67 -9.309 0.465 0.465 460 2HB GLU 67 1HB GLU 67 -10.517 1.741 1.741 461 1HG GLU 67 2HG GLU 67 -7.676 2.576 2.576 462 2HG GLU 67 1HG GLU 67 -8.311 1.652 1.652 463 H ILE 68 H ILE 68 -11.214 3.271 3.271 464 HA ILE 68 HA ILE 68 -10.104 5.909 5.909 465 HB ILE 68 HB ILE 68 -12.754 4.737 4.737 466 1HG1 ILE 68 2HG1 ILE 68 -13.482 5.653 5.653 467 2HG1 ILE 68 1HG1 ILE 68 -12.102 6.747 6.747 468 1HG2 ILE 68 2HG2 ILE 68 -12.406 6.787 6.787 469 2HG2 ILE 68 1HG2 ILE 68 -12.218 7.719 7.719 470 3HG2 ILE 68 3HG2 ILE 68 -13.751 6.920 6.920 471 1HD1 ILE 68 3HD1 ILE 68 -10.597 4.760 4.760 472 2HD1 ILE 68 2HD1 ILE 68 -12.023 3.727 3.727 473 3HD1 ILE 68 1HD1 ILE 68 -11.727 4.893 4.893 474 H GLY 69 H GLY 69 -11.833 4.776 4.776 475 1HA GLY 69 2HA GLY 69 -10.449 6.749 6.749 476 2HA GLY 69 1HA GLY 69 -11.583 5.537 5.537 477 H MET 70 H MET 70 -10.403 3.166 3.166 478 HA MET 70 HA MET 70 -8.502 2.567 2.567 479 1HB MET 70 2HB MET 70 -9.736 1.313 1.313 480 2HB MET 70 1HB MET 70 -8.062 1.307 1.307 481 1HG MET 70 2HG MET 70 -9.366 -0.069 -0.069 482 2HG MET 70 1HG MET 70 -8.201 -0.689 -0.689 483 1HE MET 70 2HE MET 70 -6.375 1.123 1.123 484 2HE MET 70 1HE MET 70 -5.171 1.500 1.500 485 3HE MET 70 3HE MET 70 -5.391 -0.184 -0.184 486 H LEU 71 H LEU 71 -8.109 3.650 3.650 487 HA LEU 71 HA LEU 71 -5.208 3.733 3.733 488 1HB LEU 71 2HB LEU 71 -6.907 3.236 3.236 489 2HB LEU 71 1HB LEU 71 -7.477 4.895 4.895 490 HG LEU 71 HG LEU 71 -5.109 3.792 3.792 491 1HD1 LEU 71 3HD1 LEU 71 -7.203 5.882 5.882 492 2HD1 LEU 71 2HD1 LEU 71 -5.660 6.169 6.169 493 3HD1 LEU 71 1HD1 LEU 71 -6.586 4.713 4.713 494 1HD2 LEU 71 2HD2 LEU 71 -4.991 6.489 6.489 495 2HD2 LEU 71 1HD2 LEU 71 -3.956 5.103 5.103 496 3HD2 LEU 71 3HD2 LEU 71 -3.854 5.903 5.903 497 H GLU 72 H GLU 72 -7.826 6.007 6.007 498 HA GLU 72 HA GLU 72 -6.019 8.338 8.338 499 1HB GLU 72 2HB GLU 72 -8.228 8.745 8.745 500 2HB GLU 72 1HB GLU 72 -8.942 7.812 7.812 501 1HG GLU 72 2HG GLU 72 -8.751 9.527 9.527 502 2HG GLU 72 1HG GLU 72 -7.271 10.157 10.157 503 H CYS 73 H CYS 73 -6.171 5.831 5.831 504 HA CYS 73 HA CYS 73 -6.757 6.747 6.747 505 1HB CYS 73 2HB CYS 73 -4.604 4.967 4.967 506 2HB CYS 73 1HB CYS 73 -4.731 5.218 5.218 507 HG CYS 73 HG CYS 73 -6.361 3.251 3.251 508 H VAL 74 H VAL 74 -3.647 7.025 7.025 509 HA VAL 74 HA VAL 74 -2.708 9.070 9.070 510 HB VAL 74 HB VAL 74 -0.604 8.819 8.819 511 1HG1 VAL 74 2HG1 VAL 74 -2.135 6.385 6.385 512 2HG1 VAL 74 1HG1 VAL 74 -0.566 6.161 6.161 513 3HG1 VAL 74 3HG1 VAL 74 -0.689 7.097 7.097 514 1HG2 VAL 74 1HG2 VAL 74 -2.349 7.307 7.307 515 2HG2 VAL 74 3HG2 VAL 74 -1.291 8.680 8.680 516 3HG2 VAL 74 2HG2 VAL 74 -0.600 7.097 7.097 517 H THR 75 H THR 75 -3.351 11.158 11.158 518 HA THR 75 HA THR 75 -4.609 12.164 12.164 519 HB THR 75 HB THR 75 -3.160 13.144 13.144 520 HG1 THR 75 1HG THR 75 -5.115 13.775 13.775 521 1HG2 THR 75 3HG2 THR 75 -3.079 14.763 14.763 522 2HG2 THR 75 2HG2 THR 75 -3.105 15.544 15.544 523 3HG2 THR 75 1HG2 THR 75 -1.776 14.464 14.464 524 H ALA 76 H ALA 76 -3.702 11.508 11.508 525 HA ALA 76 HA ALA 76 -0.972 12.595 12.595 526 1HB ALA 76 1HB ALA 76 -2.039 9.908 9.908 527 2HB ALA 76 3HB ALA 76 -1.542 10.373 10.373 528 3HB ALA 76 2HB ALA 76 -0.383 10.438 10.438 529 H GLU 77 H GLU 77 -3.509 13.942 13.942 530 HA GLU 77 HA GLU 77 -4.869 14.816 14.816 531 1HB GLU 77 2HB GLU 77 -3.397 15.824 15.824 532 2HB GLU 77 1HB GLU 77 -2.726 16.034 16.034 533 1HG GLU 77 2HG GLU 77 -1.148 14.258 14.258 534 2HG GLU 77 1HG GLU 77 -1.944 13.743 13.743 535 H LEU 78 H LEU 78 -5.511 12.344 12.344 536 HA LEU 78 HA LEU 78 -5.037 10.368 10.368 537 1HB LEU 78 2HB LEU 78 -7.198 11.370 11.370 538 2HB LEU 78 1HB LEU 78 -7.758 11.429 11.429 539 HG LEU 78 HG LEU 78 -6.670 8.989 8.989 540 1HD1 LEU 78 3HD1 LEU 78 -6.945 9.687 9.687 541 2HD1 LEU 78 2HD1 LEU 78 -7.628 8.125 8.125 542 3HD1 LEU 78 1HD1 LEU 78 -5.928 8.470 8.470 543 1HD2 LEU 78 3HD2 LEU 78 -9.377 9.893 9.893 544 2HD2 LEU 78 2HD2 LEU 78 -8.928 9.213 9.213 545 3HD2 LEU 78 1HD2 LEU 78 -9.007 8.174 8.174 546 H LYS 79 H LYS 79 -4.322 10.292 10.292 547 HA LYS 79 HA LYS 79 -4.864 12.480 12.480 548 1HB LYS 79 2HB LYS 79 -3.519 9.833 9.833 549 2HB LYS 79 1HB LYS 79 -3.182 11.406 11.406 550 1HG LYS 79 2HG LYS 79 -2.595 12.142 12.142 551 2HG LYS 79 1HG LYS 79 -2.435 10.421 10.421 552 1HD LYS 79 2HD LYS 79 -0.437 10.391 10.391 553 2HD LYS 79 1HD LYS 79 -1.173 10.993 10.993 554 1HE LYS 79 2HE LYS 79 0.670 12.445 12.445 555 2HE LYS 79 1HE LYS 79 -0.845 13.241 13.241 556 1HZ LYS 79 3HZ LYS 79 -0.885 12.068 12.068 557 2HZ LYS 79 2HZ LYS 79 0.202 13.359 13.359 558 3HZ LYS 79 1HZ LYS 79 -1.443 13.580 13.580 559 HA PRO 80 HA PRO 80 -7.916 10.160 10.160 560 1HB PRO 80 2HB PRO 80 -7.040 9.955 9.955 561 2HB PRO 80 1HB PRO 80 -7.591 11.485 11.485 562 1HG PRO 80 2HG PRO 80 -4.873 10.578 10.578 563 2HG PRO 80 1HG PRO 80 -5.511 12.220 12.220 564 1HD PRO 80 2HD PRO 80 -3.969 10.801 10.801 565 2HD PRO 80 1HD PRO 80 -4.766 12.371 12.371 566 H ASN 81 H ASN 81 -4.656 8.921 8.921 567 HA ASN 81 HA ASN 81 -5.729 6.188 6.188 568 1HB ASN 81 2HB ASN 81 -3.391 5.754 5.754 569 2HB ASN 81 1HB ASN 81 -4.111 7.094 7.094 570 1HD2 ASN 81 2HD2 ASN 81 -0.758 8.228 8.228 571 2HD2 ASN 81 1HD2 ASN 81 -1.349 7.039 7.039 572 H SER 82 H SER 82 -4.517 8.076 8.076 573 HA SER 82 HA SER 82 -2.808 6.408 6.408 574 1HB SER 82 2HB SER 82 -5.276 7.799 7.799 575 2HB SER 82 1HB SER 82 -3.768 7.499 7.499 576 HG SER 82 HG SER 82 -2.905 8.742 8.742 577 H ARG 83 H ARG 83 -3.026 4.318 4.318 578 HA ARG 83 HA ARG 83 -5.754 3.347 3.347 579 1HB ARG 83 2HB ARG 83 -4.273 2.677 2.677 580 2HB ARG 83 1HB ARG 83 -4.320 1.245 1.245 581 1HG ARG 83 2HG ARG 83 -6.610 1.063 1.063 582 2HG ARG 83 1HG ARG 83 -6.845 2.796 2.796 583 1HD ARG 83 2HD ARG 83 -7.178 2.381 2.381 584 2HD ARG 83 1HD ARG 83 -5.469 1.947 1.947 585 HE ARG 83 HE ARG 83 -6.137 -0.391 -0.391 586 1HH1 ARG 83 1HH2 ARG 83 -8.010 1.602 1.602 587 2HH1 ARG 83 2HH2 ARG 83 -9.351 0.511 0.511 588 1HH2 ARG 83 1HH1 ARG 83 -8.087 -1.706 -1.706 589 2HH2 ARG 83 2HH1 ARG 83 -9.393 -1.362 -1.362 590 H LEU 84 H LEU 84 -5.693 1.318 1.318 591 HA LEU 84 HA LEU 84 -3.766 1.414 1.414 592 1HB LEU 84 2HB LEU 84 -6.331 0.340 0.340 593 2HB LEU 84 1HB LEU 84 -5.295 -1.016 -1.016 594 HG LEU 84 HG LEU 84 -6.029 1.372 1.372 595 1HD1 LEU 84 3HD1 LEU 84 -6.519 -1.547 -1.547 596 2HD1 LEU 84 2HD1 LEU 84 -6.118 -0.984 -0.984 597 3HD1 LEU 84 1HD1 LEU 84 -7.495 -0.288 -0.288 598 1HD2 LEU 84 3HD2 LEU 84 -3.494 -0.152 -0.152 599 2HD2 LEU 84 2HD2 LEU 84 -3.827 1.409 1.409 600 3HD2 LEU 84 1HD2 LEU 84 -4.214 -0.085 -0.085 601 H SER 85 H SER 85 -1.941 0.157 0.157 602 HA SER 85 HA SER 85 -0.736 -1.385 -1.385 603 1HB SER 85 2HB SER 85 0.842 -1.846 -1.846 604 2HB SER 85 1HB SER 85 0.043 -0.507 -0.507 605 HG SER 85 HG SER 85 0.370 -2.762 -2.762 606 H CYS 86 H CYS 86 -3.282 -1.962 -1.962 607 HA CYS 86 HA CYS 86 -3.372 -4.880 -4.880 608 1HB CYS 86 2HB CYS 86 -5.048 -4.683 -4.683 609 2HB CYS 86 1HB CYS 86 -3.312 -4.653 -4.653 610 H GLN 87 H GLN 87 -4.428 -2.689 -2.689 611 HA GLN 87 HA GLN 87 -7.265 -3.598 -3.598 612 1HB GLN 87 2HB GLN 87 -6.035 -0.906 -0.906 613 2HB GLN 87 1HB GLN 87 -7.392 -1.198 -1.198 614 1HG GLN 87 2HG GLN 87 -7.351 -1.268 -1.268 615 2HG GLN 87 1HG GLN 87 -8.398 -0.335 -0.335 616 1HE2 GLN 87 2HE2 GLN 87 -9.337 -4.208 -4.208 617 2HE2 GLN 87 1HE2 GLN 87 -7.815 -3.574 -3.574 618 H ILE 88 H ILE 88 -4.576 -2.450 -2.450 619 HA ILE 88 HA ILE 88 -5.991 -3.145 -3.145 620 HB ILE 88 HB ILE 88 -3.053 -2.859 -2.859 621 1HG1 ILE 88 2HG1 ILE 88 -4.848 -0.670 -0.670 622 2HG1 ILE 88 1HG1 ILE 88 -3.341 -1.272 -1.272 623 1HG2 ILE 88 3HG2 ILE 88 -5.107 -2.699 -2.699 624 2HG2 ILE 88 2HG2 ILE 88 -4.847 -0.993 -0.993 625 3HG2 ILE 88 1HG2 ILE 88 -3.519 -1.975 -1.975 626 1HD1 ILE 88 3HD1 ILE 88 -2.137 -0.428 -0.428 627 2HD1 ILE 88 2HD1 ILE 88 -3.650 0.305 0.305 628 3HD1 ILE 88 1HD1 ILE 88 -2.880 0.856 0.856 629 H ILE 89 H ILE 89 -5.590 -4.878 -4.878 630 HA ILE 89 HA ILE 89 -4.105 -7.169 -7.169 631 HB ILE 89 HB ILE 89 -6.513 -6.885 -6.885 632 1HG1 ILE 89 2HG1 ILE 89 -7.083 -6.799 -6.799 633 2HG1 ILE 89 1HG1 ILE 89 -7.453 -8.442 -8.442 634 1HG2 ILE 89 3HG2 ILE 89 -4.978 -8.641 -8.641 635 2HG2 ILE 89 2HG2 ILE 89 -5.054 -9.449 -9.449 636 3HG2 ILE 89 1HG2 ILE 89 -6.509 -9.297 -9.297 637 1HD1 ILE 89 3HD1 ILE 89 -5.101 -9.069 -9.069 638 2HD1 ILE 89 2HD1 ILE 89 -5.058 -7.492 -7.492 639 3HD1 ILE 89 1HD1 ILE 89 -6.271 -8.684 -8.684 640 H MET 90 H MET 90 -2.902 -8.518 -8.518 641 HA MET 90 HA MET 90 -1.938 -6.889 -6.889 642 1HB MET 90 2HB MET 90 -0.558 -7.855 -7.855 643 2HB MET 90 1HB MET 90 -0.462 -9.260 -9.260 644 1HG MET 90 2HG MET 90 1.449 -7.763 -7.763 645 2HG MET 90 1HG MET 90 0.417 -7.824 -7.824 646 1HE MET 90 3HE MET 90 0.829 -5.981 -5.981 647 2HE MET 90 2HE MET 90 -0.907 -5.770 -5.770 648 3HE MET 90 1HE MET 90 0.161 -4.374 -4.374 649 H THR 91 H THR 91 -2.848 -7.583 -7.583 650 HA THR 91 HA THR 91 -3.639 -10.437 -10.437 651 HB THR 91 HB THR 91 -4.394 -9.168 -9.168 652 HG1 THR 91 1HG THR 91 -4.637 -7.201 -7.201 653 1HG2 THR 91 2HG2 THR 91 -5.778 -9.045 -9.045 654 2HG2 THR 91 1HG2 THR 91 -6.568 -8.810 -8.810 655 3HG2 THR 91 3HG2 THR 91 -5.873 -10.379 -10.379 656 HA PRO 92 HA PRO 92 -0.279 -11.478 -11.478 657 1HB PRO 92 2HB PRO 92 -1.459 -12.953 -12.953 658 2HB PRO 92 1HB PRO 92 -1.231 -13.548 -13.548 659 1HG PRO 92 2HG PRO 92 -3.674 -12.458 -12.458 660 2HG PRO 92 1HG PRO 92 -3.503 -13.780 -13.780 661 1HD PRO 92 2HD PRO 92 -4.355 -11.272 -11.272 662 2HD PRO 92 1HD PRO 92 -3.538 -12.372 -12.372 663 H GLU 93 H GLU 93 -3.037 -9.961 -9.961 664 HA GLU 93 HA GLU 93 -1.448 -9.257 -9.257 665 1HB GLU 93 2HB GLU 93 -3.544 -8.150 -8.150 666 2HB GLU 93 1HB GLU 93 -3.876 -9.773 -9.773 667 1HG GLU 93 2HG GLU 93 -5.494 -8.545 -8.545 668 2HG GLU 93 1HG GLU 93 -4.185 -8.524 -8.524 669 H LEU 94 H LEU 94 -2.750 -7.584 -7.584 670 HA LEU 94 HA LEU 94 -1.662 -4.985 -4.985 671 1HB LEU 94 2HB LEU 94 -3.397 -6.228 -6.228 672 2HB LEU 94 1HB LEU 94 -2.243 -5.192 -5.192 673 HG LEU 94 HG LEU 94 -4.093 -4.431 -4.431 674 1HD1 LEU 94 3HD1 LEU 94 -4.260 -4.374 -4.374 675 2HD1 LEU 94 2HD1 LEU 94 -4.137 -2.707 -2.707 676 3HD1 LEU 94 1HD1 LEU 94 -5.426 -3.749 -3.749 677 1HD2 LEU 94 3HD2 LEU 94 -1.501 -3.444 -3.444 678 2HD2 LEU 94 2HD2 LEU 94 -2.750 -2.670 -2.670 679 3HD2 LEU 94 1HD2 LEU 94 -2.585 -2.259 -2.259 680 H ASP 95 H ASP 95 0.593 -6.434 -6.434 681 HA ASP 95 HA ASP 95 1.885 -6.426 -6.426 682 1HB ASP 95 2HB ASP 95 2.687 -8.387 -8.387 683 2HB ASP 95 1HB ASP 95 1.911 -8.080 -8.080 684 H GLY 96 H GLY 96 3.935 -5.457 -5.457 685 1HA GLY 96 2HA GLY 96 5.772 -4.000 -4.000 686 2HA GLY 96 1HA GLY 96 4.678 -3.364 -3.364 687 H ILE 97 H ILE 97 3.286 -3.976 -3.976 688 HA ILE 97 HA ILE 97 2.308 -1.366 -1.366 689 HB ILE 97 HB ILE 97 1.924 -3.823 -3.823 690 1HG1 ILE 97 2HG1 ILE 97 0.167 -2.240 -2.240 691 2HG1 ILE 97 1HG1 ILE 97 0.195 -2.639 -2.639 692 1HG2 ILE 97 3HG2 ILE 97 3.797 -3.217 -3.217 693 2HG2 ILE 97 2HG2 ILE 97 2.675 -2.034 -2.034 694 3HG2 ILE 97 1HG2 ILE 97 2.272 -3.750 -3.750 695 1HD1 ILE 97 3HD1 ILE 97 1.550 -0.613 -0.613 696 2HD1 ILE 97 2HD1 ILE 97 1.470 -0.197 -0.197 697 3HD1 ILE 97 1HD1 ILE 97 0.001 -0.207 -0.207 698 H VAL 98 H VAL 98 3.134 0.434 0.434 699 HA VAL 98 HA VAL 98 5.736 0.436 0.436 700 HB VAL 98 HB VAL 98 4.406 2.797 2.797 701 1HG1 VAL 98 1HG1 VAL 98 7.212 2.005 2.005 702 2HG1 VAL 98 3HG1 VAL 98 6.909 3.289 3.289 703 3HG1 VAL 98 2HG1 VAL 98 6.304 3.439 3.439 704 1HG2 VAL 98 1HG2 VAL 98 5.978 0.537 0.537 705 2HG2 VAL 98 3HG2 VAL 98 4.413 1.181 1.181 706 3HG2 VAL 98 2HG2 VAL 98 5.878 2.133 2.133 707 H VAL 99 H VAL 99 5.414 0.712 0.712 708 HA VAL 99 HA VAL 99 2.937 2.124 2.124 709 HB VAL 99 HB VAL 99 4.891 0.814 0.814 710 1HG1 VAL 99 2HG1 VAL 99 2.026 1.475 1.475 711 2HG1 VAL 99 1HG1 VAL 99 2.389 -0.109 -0.109 712 3HG1 VAL 99 3HG1 VAL 99 3.129 1.352 1.352 713 1HG2 VAL 99 2HG2 VAL 99 3.561 -0.511 -0.511 714 2HG2 VAL 99 1HG2 VAL 99 4.924 -1.021 -1.021 715 3HG2 VAL 99 3HG2 VAL 99 3.282 -1.265 -1.265 716 H ASP 100 H ASP 100 3.425 3.122 3.122 717 HA ASP 100 HA ASP 100 6.023 4.344 4.344 718 1HB ASP 100 2HB ASP 100 3.667 5.908 5.908 719 2HB ASP 100 1HB ASP 100 4.965 6.703 6.703 720 H VAL 101 H VAL 101 6.304 5.029 5.029 721 HA VAL 101 HA VAL 101 3.949 4.636 4.636 722 HB VAL 101 HB VAL 101 6.938 4.801 4.801 723 1HG1 VAL 101 3HG1 VAL 101 5.412 5.871 5.871 724 2HG1 VAL 101 2HG1 VAL 101 4.944 4.205 4.205 725 3HG1 VAL 101 1HG1 VAL 101 6.630 4.697 4.697 726 1HG2 VAL 101 3HG2 VAL 101 5.839 2.684 2.684 727 2HG2 VAL 101 2HG2 VAL 101 6.714 2.475 2.475 728 3HG2 VAL 101 1HG2 VAL 101 4.950 2.582 2.582 729 HA PRO 102 HA PRO 102 3.636 9.109 9.109 730 1HB PRO 102 2HB PRO 102 1.276 9.228 9.228 731 2HB PRO 102 1HB PRO 102 1.392 8.786 8.786 732 1HG PRO 102 2HG PRO 102 1.064 7.042 7.042 733 2HG PRO 102 1HG PRO 102 0.332 6.916 6.916 734 1HD PRO 102 2HD PRO 102 2.436 5.395 5.395 735 2HD PRO 102 1HD PRO 102 2.133 5.839 5.839 736 H ASP 103 H ASP 103 5.292 9.803 9.803 737 HA ASP 103 HA ASP 103 4.431 9.828 9.828 738 1HB ASP 103 2HB ASP 103 6.904 9.288 9.288 739 2HB ASP 103 1HB ASP 103 7.123 10.582 10.582 740 H ARG 104 H ARG 104 3.120 11.789 11.789 741 HA ARG 104 HA ARG 104 4.740 14.187 14.187 742 1HB ARG 104 2HB ARG 104 2.493 15.222 15.222 743 2HB ARG 104 1HB ARG 104 2.916 13.857 13.857 744 1HG ARG 104 2HG ARG 104 0.620 13.575 13.575 745 2HG ARG 104 1HG ARG 104 1.572 12.379 12.379 746 1HD ARG 104 2HD ARG 104 1.234 15.019 15.019 747 2HD ARG 104 1HD ARG 104 -0.196 13.976 13.976 748 HE ARG 104 HE ARG 104 2.280 12.618 12.618 749 1HH1 ARG 104 1HH1 ARG 104 0.926 14.958 14.958 750 2HH1 ARG 104 2HH1 ARG 104 0.226 13.967 13.967 751 1HH2 ARG 104 1HH2 ARG 104 0.719 11.002 11.002 752 2HH2 ARG 104 2HH2 ARG 104 0.109 11.727 11.727 753 H GLN 105 H GLN 105 4.404 12.820 12.820 754 HA GLN 105 HA GLN 105 2.833 14.494 14.494 755 1HB GLN 105 2HB GLN 105 3.697 12.259 12.259 756 2HB GLN 105 1HB GLN 105 5.351 12.871 12.871 757 1HG GLN 105 2HG GLN 105 4.733 12.873 12.873 758 2HG GLN 105 1HG GLN 105 4.682 14.555 14.555 759 1HE2 GLN 105 2HE2 GLN 105 1.414 13.131 13.131 760 2HE2 GLN 105 1HE2 GLN 105 2.998 12.591 12.591 761 H TRP 106 H TRP 106 3.589 16.588 16.588 762 HA TRP 106 HA TRP 106 6.254 17.571 17.571 763 1HB TRP 106 2HB TRP 106 3.962 18.722 18.722 764 2HB TRP 106 1HB TRP 106 5.509 19.536 19.536 765 HD1 TRP 106 HD TRP 106 3.819 16.977 16.977 766 HE1 TRP 106 1HE TRP 106 5.512 15.894 15.894 767 HE3 TRP 106 3HE TRP 106 8.182 18.743 18.743 768 HZ2 TRP 106 2HZ TRP 106 8.346 15.791 15.791 769 HZ3 TRP 106 3HZ TRP 106 10.362 18.138 18.138 770 HH2 TRP 106 HH TRP 106 10.448 16.666 16.666 Start of MODEL 14 1 1H SER 1 1HT SER 1 3.403 -10.697 -10.697 2 2H SER 1 3HT SER 1 1.959 -10.815 -10.815 3 3H SER 1 2HT SER 1 3.436 -11.234 -11.234 4 HA SER 1 HA SER 1 3.218 -9.150 -9.150 5 1HB SER 1 2HB SER 1 2.162 -7.593 -7.593 6 2HB SER 1 1HB SER 1 1.326 -8.105 -8.105 7 HG SER 1 HG SER 1 1.556 -9.517 -9.517 8 H LYS 2 H LYS 2 4.787 -7.526 -7.526 9 HA LYS 2 HA LYS 2 6.877 -7.763 -7.763 10 1HB LYS 2 2HB LYS 2 6.925 -7.259 -7.259 11 2HB LYS 2 1HB LYS 2 6.683 -5.593 -5.593 12 1HG LYS 2 2HG LYS 2 8.899 -7.412 -7.412 13 2HG LYS 2 1HG LYS 2 9.098 -6.171 -6.171 14 1HD LYS 2 2HD LYS 2 8.214 -4.496 -4.496 15 2HD LYS 2 1HD LYS 2 8.344 -5.769 -5.769 16 1HE LYS 2 2HE LYS 2 10.687 -4.952 -4.952 17 2HE LYS 2 1HE LYS 2 10.373 -4.228 -4.228 18 1HZ LYS 2 1HZ LYS 2 10.608 -7.143 -7.143 19 2HZ LYS 2 3HZ LYS 2 11.820 -6.185 -6.185 20 3HZ LYS 2 2HZ LYS 2 10.349 -6.422 -6.422 21 H VAL 3 H VAL 3 6.381 -6.808 -6.808 22 HA VAL 3 HA VAL 3 5.019 -4.145 -4.145 23 HB VAL 3 HB VAL 3 5.080 -6.475 -6.475 24 1HG1 VAL 3 1HG1 VAL 3 4.565 -3.579 -3.579 25 2HG1 VAL 3 3HG1 VAL 3 3.755 -4.869 -4.869 26 3HG1 VAL 3 2HG1 VAL 3 5.515 -4.762 -4.762 27 1HG2 VAL 3 1HG2 VAL 3 3.337 -5.668 -5.668 28 2HG2 VAL 3 3HG2 VAL 3 2.853 -6.588 -6.588 29 3HG2 VAL 3 2HG2 VAL 3 2.673 -4.834 -4.834 30 H VAL 4 H VAL 4 5.948 -2.415 -2.415 31 HA VAL 4 HA VAL 4 8.563 -2.878 -2.878 32 HB VAL 4 HB VAL 4 7.842 -1.093 -1.093 33 1HG1 VAL 4 1HG1 VAL 4 8.654 0.418 0.418 34 2HG1 VAL 4 3HG1 VAL 4 10.122 -0.552 -0.552 35 3HG1 VAL 4 2HG1 VAL 4 9.768 0.348 0.348 36 1HG2 VAL 4 2HG2 VAL 4 9.137 -3.348 -3.348 37 2HG2 VAL 4 1HG2 VAL 4 9.774 -1.985 -1.985 38 3HG2 VAL 4 3HG2 VAL 4 10.484 -2.405 -2.405 39 H TYR 5 H TYR 5 8.562 -2.090 -2.090 40 HA TYR 5 HA TYR 5 6.413 -0.268 -0.268 41 1HB TYR 5 2HB TYR 5 8.484 -2.055 -2.055 42 2HB TYR 5 1HB TYR 5 7.279 -1.185 -1.185 43 HD1 TYR 5 2HD TYR 5 4.860 -1.357 -1.357 44 HD2 TYR 5 1HD TYR 5 7.968 -4.308 -4.308 45 HE1 TYR 5 2HE TYR 5 3.219 -3.141 -3.141 46 HE2 TYR 5 1HE TYR 5 6.338 -6.039 -6.039 47 HH TYR 5 HH TYR 5 3.656 -6.257 -6.257 48 H VAL 6 H VAL 6 6.845 1.775 1.775 49 HA VAL 6 HA VAL 6 9.760 2.492 2.492 50 HB VAL 6 HB VAL 6 7.581 4.426 4.426 51 1HG1 VAL 6 3HG1 VAL 6 10.350 4.630 4.630 52 2HG1 VAL 6 2HG1 VAL 6 10.185 4.941 4.941 53 3HG1 VAL 6 1HG1 VAL 6 9.275 5.907 5.907 54 1HG2 VAL 6 3HG2 VAL 6 7.776 2.465 2.465 55 2HG2 VAL 6 2HG2 VAL 6 8.117 4.038 4.038 56 3HG2 VAL 6 1HG2 VAL 6 9.444 2.957 2.957 57 H SER 7 H SER 7 10.189 4.109 4.109 58 HA SER 7 HA SER 7 8.079 4.240 4.240 59 1HB SER 7 2HB SER 7 9.875 4.017 4.017 60 2HB SER 7 1HB SER 7 10.144 2.779 2.779 61 HG SER 7 HG SER 7 12.031 4.025 4.025 62 H HIS 8 H HIS 8 7.665 6.329 6.329 63 HA HIS 8 HA HIS 8 8.183 8.608 8.608 64 1HB HIS 8 2HB HIS 8 8.045 9.729 9.729 65 2HB HIS 8 1HB HIS 8 6.655 8.905 8.905 66 HD1 HIS 8 1HD HIS 8 5.576 7.572 7.572 67 HD2 HIS 8 2HD HIS 8 9.704 7.448 7.448 68 HE1 HIS 8 1HE HIS 8 6.028 6.021 6.021 69 H ASP 9 H ASP 9 10.445 6.937 6.937 70 HA ASP 9 HA ASP 9 12.335 9.192 9.192 71 1HB ASP 9 2HB ASP 9 13.730 7.425 7.425 72 2HB ASP 9 1HB ASP 9 12.161 7.730 7.730 73 H GLY 10 H GLY 10 11.513 6.936 6.936 74 1HA GLY 10 2HA GLY 10 12.703 7.087 7.087 75 2HA GLY 10 1HA GLY 10 14.210 7.198 7.198 76 H THR 11 H THR 11 13.795 5.043 5.043 77 HA THR 11 HA THR 11 14.786 2.849 2.849 78 HB THR 11 HB THR 11 13.829 3.530 3.530 79 HG1 THR 11 1HG THR 11 15.870 2.554 2.554 80 1HG2 THR 11 2HG2 THR 11 11.901 2.033 2.033 81 2HG2 THR 11 1HG2 THR 11 13.038 0.730 0.730 82 3HG2 THR 11 3HG2 THR 11 12.931 1.400 1.400 83 H ARG 12 H ARG 12 13.926 1.322 1.322 84 HA ARG 12 HA ARG 12 10.944 1.136 1.136 85 1HB ARG 12 2HB ARG 12 12.896 0.814 0.814 86 2HB ARG 12 1HB ARG 12 11.166 1.143 1.143 87 1HG ARG 12 2HG ARG 12 11.615 3.348 3.348 88 2HG ARG 12 1HG ARG 12 13.337 3.016 3.016 89 1HD ARG 12 2HD ARG 12 11.910 2.607 2.607 90 2HD ARG 12 1HD ARG 12 11.720 4.264 4.264 91 HE ARG 12 HE ARG 12 14.448 3.399 3.399 92 1HH1 ARG 12 1HH2 ARG 12 12.123 4.832 4.832 93 2HH1 ARG 12 2HH2 ARG 12 13.284 5.324 5.324 94 1HH2 ARG 12 1HH1 ARG 12 15.969 3.857 3.857 95 2HH2 ARG 12 2HH1 ARG 12 15.461 4.772 4.772 96 H ARG 13 H ARG 13 10.197 -1.001 -1.001 97 HA ARG 13 HA ARG 13 12.202 -3.200 -3.200 98 1HB ARG 13 2HB ARG 13 10.007 -4.343 -4.343 99 2HB ARG 13 1HB ARG 13 11.358 -3.666 -3.666 100 1HG ARG 13 2HG ARG 13 9.692 -1.468 -1.468 101 2HG ARG 13 1HG ARG 13 8.581 -2.792 -2.792 102 1HD ARG 13 2HD ARG 13 9.051 -1.991 -1.991 103 2HD ARG 13 1HD ARG 13 10.258 -3.281 -3.281 104 HE ARG 13 HE ARG 13 11.564 -1.130 -1.130 105 1HH1 ARG 13 1HH1 ARG 13 9.544 0.342 0.342 106 2HH1 ARG 13 2HH1 ARG 13 10.560 0.630 0.630 107 1HH2 ARG 13 1HH2 ARG 13 13.007 -1.611 -1.611 108 2HH2 ARG 13 2HH2 ARG 13 12.521 -0.476 -0.476 109 H GLU 14 H GLU 14 12.028 -4.430 -4.430 110 HA GLU 14 HA GLU 14 9.571 -4.255 -4.255 111 1HB GLU 14 2HB GLU 14 12.213 -5.639 -5.639 112 2HB GLU 14 1HB GLU 14 11.023 -5.107 -5.107 113 1HG GLU 14 2HG GLU 14 12.258 -3.217 -3.217 114 2HG GLU 14 1HG GLU 14 11.556 -2.786 -2.786 115 H LEU 15 H LEU 15 8.080 -5.931 -5.931 116 HA LEU 15 HA LEU 15 8.974 -8.570 -8.570 117 1HB LEU 15 2HB LEU 15 6.524 -6.885 -6.885 118 2HB LEU 15 1HB LEU 15 6.360 -8.633 -8.633 119 HG LEU 15 HG LEU 15 8.087 -6.828 -6.828 120 1HD1 LEU 15 3HD1 LEU 15 5.518 -8.200 -8.200 121 2HD1 LEU 15 2HD1 LEU 15 6.657 -8.657 -8.657 122 3HD1 LEU 15 1HD1 LEU 15 6.226 -6.965 -6.965 123 1HD2 LEU 15 3HD2 LEU 15 7.910 -9.833 -9.833 124 2HD2 LEU 15 2HD2 LEU 15 9.325 -8.878 -8.878 125 3HD2 LEU 15 1HD2 LEU 15 8.799 -8.864 -8.864 126 H ASP 16 H ASP 16 8.293 -10.420 -10.420 127 HA ASP 16 HA ASP 16 7.097 -10.070 -10.070 128 1HB ASP 16 2HB ASP 16 7.953 -12.474 -12.474 129 2HB ASP 16 1HB ASP 16 9.203 -11.256 -11.256 130 H VAL 17 H VAL 17 4.901 -9.839 -9.839 131 HA VAL 17 HA VAL 17 3.814 -12.026 -12.026 132 HB VAL 17 HB VAL 17 2.889 -9.300 -9.300 133 1HG1 VAL 17 1HG1 VAL 17 1.378 -11.354 -11.354 134 2HG1 VAL 17 3HG1 VAL 17 0.888 -9.671 -9.671 135 3HG1 VAL 17 2HG1 VAL 17 0.925 -10.754 -10.754 136 1HG2 VAL 17 3HG2 VAL 17 4.372 -10.290 -10.290 137 2HG2 VAL 17 2HG2 VAL 17 3.825 -8.639 -8.639 138 3HG2 VAL 17 1HG2 VAL 17 2.801 -9.764 -9.764 139 H ALA 18 H ALA 18 1.527 -12.746 -12.746 140 HA ALA 18 HA ALA 18 1.430 -13.201 -13.201 141 1HB ALA 18 3HB ALA 18 2.006 -15.176 -15.176 142 2HB ALA 18 2HB ALA 18 0.529 -14.950 -14.950 143 3HB ALA 18 1HB ALA 18 0.429 -15.381 -15.381 144 H ASP 19 H ASP 19 -1.244 -14.621 -14.621 145 HA ASP 19 HA ASP 19 -2.898 -12.150 -12.150 146 1HB ASP 19 2HB ASP 19 -4.339 -13.437 -13.437 147 2HB ASP 19 1HB ASP 19 -2.735 -14.024 -14.024 148 H GLY 20 H GLY 20 -4.072 -11.688 -11.688 149 1HA GLY 20 2HA GLY 20 -5.815 -12.438 -12.438 150 2HA GLY 20 1HA GLY 20 -4.927 -13.952 -13.952 151 H VAL 21 H VAL 21 -2.485 -11.839 -11.839 152 HA VAL 21 HA VAL 21 -2.373 -11.700 -11.700 153 HB VAL 21 HB VAL 21 -0.354 -11.151 -11.151 154 1HG1 VAL 21 3HG1 VAL 21 -0.037 -11.357 -11.357 155 2HG1 VAL 21 2HG1 VAL 21 1.309 -11.315 -11.315 156 3HG1 VAL 21 1HG1 VAL 21 0.236 -9.924 -9.924 157 1HG2 VAL 21 1HG2 VAL 21 -1.222 -13.587 -13.587 158 2HG2 VAL 21 3HG2 VAL 21 -0.406 -13.428 -13.428 159 3HG2 VAL 21 2HG2 VAL 21 0.527 -13.349 -13.349 160 H SER 22 H SER 22 -1.336 -9.684 -9.684 161 HA SER 22 HA SER 22 -2.310 -7.208 -7.208 162 1HB SER 22 2HB SER 22 -2.037 -6.869 -6.869 163 2HB SER 22 1HB SER 22 -3.515 -6.805 -6.805 164 HG SER 22 HG SER 22 -3.665 -9.058 -9.058 165 H LEU 23 H LEU 23 -0.978 -5.231 -5.231 166 HA LEU 23 HA LEU 23 1.825 -5.811 -5.811 167 1HB LEU 23 2HB LEU 23 0.381 -3.364 -3.364 168 2HB LEU 23 1HB LEU 23 2.078 -3.401 -3.401 169 HG LEU 23 HG LEU 23 1.656 -3.118 -3.118 170 1HD1 LEU 23 2HD1 LEU 23 0.807 -5.513 -5.513 171 2HD1 LEU 23 1HD1 LEU 23 -0.816 -4.855 -4.855 172 3HD1 LEU 23 3HD1 LEU 23 0.138 -4.416 -4.416 173 1HD2 LEU 23 2HD2 LEU 23 -0.992 -2.489 -2.489 174 2HD2 LEU 23 1HD2 LEU 23 0.247 -1.378 -1.378 175 3HD2 LEU 23 3HD2 LEU 23 -0.751 -2.272 -2.272 176 H MET 24 H MET 24 -0.258 -5.583 -5.583 177 HA MET 24 HA MET 24 1.991 -5.558 -5.558 178 1HB MET 24 2HB MET 24 -0.645 -4.750 -4.750 179 2HB MET 24 1HB MET 24 -0.657 -6.200 -6.200 180 1HG MET 24 2HG MET 24 1.217 -3.852 -3.852 181 2HG MET 24 1HG MET 24 -0.162 -4.211 -4.211 182 1HE MET 24 2HE MET 24 -0.631 -6.115 -6.115 183 2HE MET 24 1HE MET 24 0.424 -7.444 -7.444 184 3HE MET 24 3HE MET 24 0.438 -5.918 -5.918 185 H GLN 25 H GLN 25 0.809 -7.939 -7.939 186 HA GLN 25 HA GLN 25 0.884 -9.985 -9.985 187 1HB GLN 25 2HB GLN 25 -1.013 -9.916 -9.916 188 2HB GLN 25 1HB GLN 25 0.073 -9.971 -9.971 189 1HG GLN 25 2HG GLN 25 0.588 -12.223 -12.223 190 2HG GLN 25 1HG GLN 25 0.213 -12.155 -12.155 191 1HE2 GLN 25 2HE2 GLN 25 -3.339 -11.848 -11.848 192 2HE2 GLN 25 1HE2 GLN 25 -2.226 -10.570 -10.570 193 H ALA 26 H ALA 26 2.093 -9.796 -9.796 194 HA ALA 26 HA ALA 26 4.152 -11.718 -11.718 195 1HB ALA 26 3HB ALA 26 3.746 -9.169 -9.169 196 2HB ALA 26 2HB ALA 26 5.288 -10.052 -10.052 197 3HB ALA 26 1HB ALA 26 3.749 -10.845 -10.845 198 H ALA 27 H ALA 27 4.255 -8.218 -8.218 199 HA ALA 27 HA ALA 27 6.970 -7.978 -7.978 200 1HB ALA 27 1HB ALA 27 4.377 -6.545 -6.545 201 2HB ALA 27 3HB ALA 27 5.694 -6.035 -6.035 202 3HB ALA 27 2HB ALA 27 5.889 -5.971 -5.971 203 H VAL 28 H VAL 28 3.999 -8.264 -8.264 204 HA VAL 28 HA VAL 28 4.778 -8.418 -8.418 205 HB VAL 28 HB VAL 28 2.737 -9.331 -9.331 206 1HG1 VAL 28 3HG1 VAL 28 3.665 -11.407 -11.407 207 2HG1 VAL 28 2HG1 VAL 28 1.947 -11.246 -11.246 208 3HG1 VAL 28 1HG1 VAL 28 3.086 -11.623 -11.623 209 1HG2 VAL 28 2HG2 VAL 28 2.763 -7.826 -7.826 210 2HG2 VAL 28 1HG2 VAL 28 1.316 -8.752 -8.752 211 3HG2 VAL 28 3HG2 VAL 28 2.413 -9.338 -9.338 212 H SER 29 H SER 29 4.756 -11.265 -11.265 213 HA SER 29 HA SER 29 6.226 -13.053 -13.053 214 1HB SER 29 2HB SER 29 6.844 -13.383 -13.383 215 2HB SER 29 1HB SER 29 5.706 -14.320 -14.320 216 HG SER 29 HG SER 29 4.707 -13.274 -13.274 217 H ASN 30 H ASN 30 7.232 -10.901 -10.901 218 HA ASN 30 HA ASN 30 10.054 -11.368 -11.368 219 1HB ASN 30 2HB ASN 30 8.090 -9.520 -9.520 220 2HB ASN 30 1HB ASN 30 9.688 -8.817 -8.817 221 1HD2 ASN 30 2HD2 ASN 30 9.091 -11.511 -11.511 222 2HD2 ASN 30 1HD2 ASN 30 7.823 -10.915 -10.915 223 H GLY 31 H GLY 31 7.950 -9.954 -9.954 224 1HA GLY 31 2HA GLY 31 8.431 -8.823 -8.823 225 2HA GLY 31 1HA GLY 31 10.146 -8.920 -8.920 226 H ILE 32 H ILE 32 8.605 -7.685 -7.685 227 HA ILE 32 HA ILE 32 9.756 -5.140 -5.140 228 HB ILE 32 HB ILE 32 7.451 -6.510 -6.510 229 1HG1 ILE 32 2HG1 ILE 32 9.926 -5.090 -5.090 230 2HG1 ILE 32 1HG1 ILE 32 9.684 -6.835 -6.835 231 1HG2 ILE 32 3HG2 ILE 32 7.986 -3.539 -3.539 232 2HG2 ILE 32 2HG2 ILE 32 6.957 -4.477 -4.477 233 3HG2 ILE 32 1HG2 ILE 32 6.507 -4.282 -4.282 234 1HD1 ILE 32 2HD1 ILE 32 7.625 -6.457 -6.457 235 2HD1 ILE 32 1HD1 ILE 32 8.336 -4.884 -4.884 236 3HD1 ILE 32 3HD1 ILE 32 9.216 -6.359 -6.359 237 H TYR 33 H TYR 33 6.788 -6.269 -6.269 238 HA TYR 33 HA TYR 33 6.245 -3.474 -3.474 239 1HB TYR 33 2HB TYR 33 4.591 -5.977 -5.977 240 2HB TYR 33 1HB TYR 33 4.023 -4.589 -4.589 241 HD1 TYR 33 1HD TYR 33 4.071 -2.276 -2.276 242 HD2 TYR 33 2HD TYR 33 4.444 -5.988 -5.988 243 HE1 TYR 33 1HE TYR 33 3.466 -1.118 -1.118 244 HE2 TYR 33 2HE TYR 33 3.835 -4.878 -4.878 245 HH TYR 33 HH TYR 33 4.090 -2.120 -2.120 246 H ASP 34 H ASP 34 8.358 -4.479 -4.479 247 HA ASP 34 HA ASP 34 7.540 -5.887 -5.887 248 1HB ASP 34 2HB ASP 34 9.854 -5.552 -5.552 249 2HB ASP 34 1HB ASP 34 9.834 -5.865 -5.865 250 H ILE 35 H ILE 35 5.835 -3.685 -3.685 251 HA ILE 35 HA ILE 35 6.681 -1.718 -1.718 252 HB ILE 35 HB ILE 35 6.547 -0.570 -0.570 253 1HG1 ILE 35 2HG1 ILE 35 3.737 -0.441 -0.441 254 2HG1 ILE 35 1HG1 ILE 35 5.119 0.479 0.479 255 1HG2 ILE 35 2HG2 ILE 35 4.074 -2.232 -2.232 256 2HG2 ILE 35 1HG2 ILE 35 4.707 -0.959 -0.959 257 3HG2 ILE 35 3HG2 ILE 35 5.658 -2.414 -2.414 258 1HD1 ILE 35 2HD1 ILE 35 5.099 0.945 0.945 259 2HD1 ILE 35 1HD1 ILE 35 3.403 1.021 1.021 260 3HD1 ILE 35 3HD1 ILE 35 4.588 2.071 2.071 261 H VAL 36 H VAL 36 4.596 -0.721 -0.721 262 HA VAL 36 HA VAL 36 2.965 -2.919 -2.919 263 HB VAL 36 HB VAL 36 3.658 -1.212 -1.212 264 1HG1 VAL 36 2HG1 VAL 36 2.789 0.584 0.584 265 2HG1 VAL 36 1HG1 VAL 36 2.620 1.194 1.194 266 3HG1 VAL 36 3HG1 VAL 36 4.204 0.702 0.702 267 1HG2 VAL 36 2HG2 VAL 36 1.023 -1.910 -1.910 268 2HG2 VAL 36 1HG2 VAL 36 1.657 -0.974 -0.974 269 3HG2 VAL 36 3HG2 VAL 36 0.929 -0.148 -0.148 270 H GLY 37 H GLY 37 1.855 -3.580 -3.580 271 1HA GLY 37 2HA GLY 37 -0.293 -1.692 -1.692 272 2HA GLY 37 1HA GLY 37 0.454 -2.861 -2.861 273 H ASP 38 H ASP 38 -2.328 -2.376 -2.376 274 HA ASP 38 HA ASP 38 -2.699 -5.235 -5.235 275 1HB ASP 38 2HB ASP 38 -4.720 -4.257 -4.257 276 2HB ASP 38 1HB ASP 38 -3.189 -3.577 -3.577 277 H CYS 39 H CYS 39 -2.676 -5.202 -5.202 278 HA CYS 39 HA CYS 39 -5.510 -4.833 -4.833 279 1HB CYS 39 2HB CYS 39 -4.284 -5.047 -5.047 280 2HB CYS 39 1HB CYS 39 -4.213 -3.520 -3.520 281 H GLY 40 H GLY 40 -2.722 -7.010 -7.010 282 1HA GLY 40 2HA GLY 40 -2.766 -9.272 -9.272 283 2HA GLY 40 1HA GLY 40 -3.939 -9.443 -9.443 284 H GLY 41 H GLY 41 -4.217 -7.530 -7.530 285 1HA GLY 41 2HA GLY 41 -5.659 -7.823 -7.823 286 2HA GLY 41 1HA GLY 41 -6.149 -9.386 -9.386 287 H SER 42 H SER 42 -6.175 -6.296 -6.296 288 HA SER 42 HA SER 42 -9.162 -6.467 -6.467 289 1HB SER 42 2HB SER 42 -7.890 -7.243 -7.243 290 2HB SER 42 1HB SER 42 -7.314 -5.588 -5.588 291 HG SER 42 HG SER 42 -10.022 -6.457 -6.457 292 H ALA 43 H ALA 43 -6.342 -4.442 -4.442 293 HA ALA 43 HA ALA 43 -6.148 -2.159 -2.159 294 1HB ALA 43 1HB ALA 43 -9.002 -2.797 -2.797 295 2HB ALA 43 3HB ALA 43 -8.202 -1.286 -1.286 296 3HB ALA 43 2HB ALA 43 -7.585 -2.812 -2.812 297 H SER 44 H SER 44 -6.271 -2.249 -2.249 298 HA SER 44 HA SER 44 -8.282 -0.162 -0.162 299 1HB SER 44 2HB SER 44 -7.974 -1.513 -1.513 300 2HB SER 44 1HB SER 44 -9.157 -2.001 -2.001 301 HG SER 44 HG SER 44 -8.077 -3.813 -3.813 302 H CYS 45 H CYS 45 -5.102 -0.659 -0.659 303 HA CYS 45 HA CYS 45 -4.192 0.864 0.864 304 1HB CYS 45 2HB CYS 45 -1.992 -0.170 -0.170 305 2HB CYS 45 1HB CYS 45 -2.520 -0.624 -0.624 306 H ALA 46 H ALA 46 -3.917 2.980 2.980 307 HA ALA 46 HA ALA 46 -3.540 4.098 4.098 308 1HB ALA 46 2HB ALA 46 -4.464 4.946 4.946 309 2HB ALA 46 1HB ALA 46 -2.873 5.703 5.703 310 3HB ALA 46 3HB ALA 46 -4.049 6.028 6.028 311 H THR 47 H THR 47 -1.458 2.427 2.427 312 HA THR 47 HA THR 47 0.929 4.112 4.112 313 HB THR 47 HB THR 47 0.515 2.749 2.749 314 HG1 THR 47 1HG THR 47 2.608 2.782 2.782 315 1HG2 THR 47 2HG2 THR 47 -0.434 0.870 0.870 316 2HG2 THR 47 1HG2 THR 47 1.107 0.179 0.179 317 3HG2 THR 47 3HG2 THR 47 -0.118 0.580 0.580 318 H CYS 48 H CYS 48 -0.528 1.306 1.306 319 HA CYS 48 HA CYS 48 1.899 0.857 0.857 320 1HB CYS 48 2HB CYS 48 -0.565 -0.551 -0.551 321 2HB CYS 48 1HB CYS 48 1.025 -1.159 -1.159 322 H HIS 49 H HIS 49 -0.219 3.221 3.221 323 HA HIS 49 HA HIS 49 -1.627 3.419 3.419 324 1HB HIS 49 2HB HIS 49 -1.160 5.098 5.098 325 2HB HIS 49 1HB HIS 49 0.272 5.558 5.558 326 HD1 HIS 49 1HD HIS 49 -1.607 7.808 7.808 327 HD2 HIS 49 2HD HIS 49 -2.145 4.876 4.876 328 HE1 HIS 49 1HE HIS 49 -3.055 8.831 8.831 329 H VAL 50 H VAL 50 -1.117 3.606 3.606 330 HA VAL 50 HA VAL 50 1.707 3.952 3.952 331 HB VAL 50 HB VAL 50 1.494 2.000 2.000 332 1HG1 VAL 50 1HG1 VAL 50 2.015 2.006 2.006 333 2HG1 VAL 50 3HG1 VAL 50 0.736 0.796 0.796 334 3HG1 VAL 50 2HG1 VAL 50 2.205 0.600 0.600 335 1HG2 VAL 50 3HG2 VAL 50 -1.062 2.257 2.257 336 2HG2 VAL 50 2HG2 VAL 50 -0.435 0.605 0.605 337 3HG2 VAL 50 1HG2 VAL 50 -1.066 1.380 1.380 338 H TYR 51 H TYR 51 1.873 4.594 4.594 339 HA TYR 51 HA TYR 51 -0.699 5.426 5.426 340 1HB TYR 51 2HB TYR 51 1.843 6.833 6.833 341 2HB TYR 51 1HB TYR 51 1.038 7.260 7.260 342 HD1 TYR 51 2HD TYR 51 0.505 6.962 6.962 343 HD2 TYR 51 1HD TYR 51 -0.966 8.494 8.494 344 HE1 TYR 51 2HE TYR 51 -1.274 8.252 8.252 345 HE2 TYR 51 1HE TYR 51 -2.654 9.789 9.789 346 HH TYR 51 HH TYR 51 -2.596 10.381 10.381 347 H VAL 52 H VAL 52 -0.965 4.607 4.607 348 HA VAL 52 HA VAL 52 1.292 3.064 3.064 349 HB VAL 52 HB VAL 52 -1.614 3.257 3.257 350 1HG1 VAL 52 3HG1 VAL 52 -0.015 2.258 2.258 351 2HG1 VAL 52 2HG1 VAL 52 0.454 1.072 1.072 352 3HG1 VAL 52 1HG1 VAL 52 -1.197 1.089 1.089 353 1HG2 VAL 52 3HG2 VAL 52 -0.317 1.965 1.965 354 2HG2 VAL 52 2HG2 VAL 52 -2.026 2.300 2.300 355 3HG2 VAL 52 1HG2 VAL 52 -1.283 0.857 0.857 356 H ASN 53 H ASN 53 1.529 3.226 3.226 357 HA ASN 53 HA ASN 53 1.570 6.089 6.089 358 1HB ASN 53 2HB ASN 53 2.902 5.104 5.104 359 2HB ASN 53 1HB ASN 53 3.582 4.775 4.775 360 1HD2 ASN 53 2HD2 ASN 53 3.543 1.532 1.532 361 2HD2 ASN 53 1HD2 ASN 53 4.353 3.012 3.012 362 H GLU 54 H GLU 54 0.185 6.921 6.921 363 HA GLU 54 HA GLU 54 -2.303 6.034 6.034 364 1HB GLU 54 2HB GLU 54 -1.964 7.314 7.314 365 2HB GLU 54 1HB GLU 54 -1.522 8.175 8.175 366 1HG GLU 54 2HG GLU 54 0.846 7.450 7.450 367 2HG GLU 54 1HG GLU 54 0.371 6.724 6.724 368 H ALA 55 H ALA 55 0.642 4.704 4.704 369 HA ALA 55 HA ALA 55 -0.606 3.391 3.391 370 1HB ALA 55 3HB ALA 55 1.953 3.032 3.032 371 2HB ALA 55 2HB ALA 55 1.578 2.046 2.046 372 3HB ALA 55 1HB ALA 55 1.741 3.795 3.795 373 H PHE 56 H PHE 56 -0.590 2.617 2.617 374 HA PHE 56 HA PHE 56 -1.714 -0.082 -0.082 375 1HB PHE 56 2HB PHE 56 0.223 0.730 0.730 376 2HB PHE 56 1HB PHE 56 -0.478 -0.884 -0.884 377 HD1 PHE 56 1HD PHE 56 1.563 1.667 1.667 378 HD2 PHE 56 2HD PHE 56 0.423 -2.501 -2.501 379 HE1 PHE 56 1HE PHE 56 3.236 1.179 1.179 380 HE2 PHE 56 2HE PHE 56 2.087 -2.943 -2.943 381 HZ PHE 56 HZ PHE 56 3.499 -1.126 -1.126 382 H THR 57 H THR 57 -2.149 2.886 2.886 383 HA THR 57 HA THR 57 -3.903 1.832 1.832 384 HB THR 57 HB THR 57 -3.934 4.002 4.002 385 HG1 THR 57 1HG THR 57 -3.671 5.677 5.677 386 1HG2 THR 57 3HG2 THR 57 -1.491 3.350 3.350 387 2HG2 THR 57 2HG2 THR 57 -1.836 4.928 4.928 388 3HG2 THR 57 1HG2 THR 57 -1.782 4.741 4.741 389 H ASP 58 H ASP 58 -4.176 2.996 2.996 390 HA ASP 58 HA ASP 58 -7.033 3.495 3.495 391 1HB ASP 58 2HB ASP 58 -6.677 3.835 3.835 392 2HB ASP 58 1HB ASP 58 -5.179 4.353 4.353 393 H LYS 59 H LYS 59 -4.981 0.698 0.698 394 HA LYS 59 HA LYS 59 -7.131 -0.949 -0.949 395 1HB LYS 59 2HB LYS 59 -4.311 -1.443 -1.443 396 2HB LYS 59 1HB LYS 59 -5.314 -2.699 -2.699 397 1HG LYS 59 2HG LYS 59 -4.492 -0.096 -0.096 398 2HG LYS 59 1HG LYS 59 -3.852 -1.696 -1.696 399 1HD LYS 59 2HD LYS 59 -6.677 -1.905 -1.905 400 2HD LYS 59 1HD LYS 59 -6.241 -0.437 -0.437 401 1HE LYS 59 2HE LYS 59 -4.310 -2.278 -2.278 402 2HE LYS 59 1HE LYS 59 -5.812 -3.223 -3.223 403 1HZ LYS 59 2HZ LYS 59 -5.770 -0.495 -0.495 404 2HZ LYS 59 1HZ LYS 59 -5.349 -1.833 -1.833 405 3HZ LYS 59 3HZ LYS 59 -6.896 -1.739 -1.739 406 H VAL 60 H VAL 60 -5.238 -1.022 -1.022 407 HA VAL 60 HA VAL 60 -6.360 -3.065 -3.065 408 HB VAL 60 HB VAL 60 -6.088 -1.444 -1.444 409 1HG1 VAL 60 1HG1 VAL 60 -4.277 -2.912 -2.912 410 2HG1 VAL 60 3HG1 VAL 60 -3.823 -1.679 -1.679 411 3HG1 VAL 60 2HG1 VAL 60 -3.651 -1.358 -1.358 412 1HG2 VAL 60 1HG2 VAL 60 -6.645 0.585 0.585 413 2HG2 VAL 60 3HG2 VAL 60 -5.112 0.723 0.723 414 3HG2 VAL 60 2HG2 VAL 60 -5.127 0.374 0.374 415 HA PRO 61 HA PRO 61 -10.687 -2.278 -2.278 416 1HB PRO 61 2HB PRO 61 -11.116 -3.711 -3.711 417 2HB PRO 61 1HB PRO 61 -10.874 -4.468 -4.468 418 1HG PRO 61 2HG PRO 61 -8.926 -4.076 -4.076 419 2HG PRO 61 1HG PRO 61 -9.165 -5.484 -5.484 420 1HD PRO 61 2HD PRO 61 -7.146 -3.724 -3.724 421 2HD PRO 61 1HD PRO 61 -7.945 -4.571 -4.571 422 H ALA 62 H ALA 62 -12.206 -1.505 -1.505 423 HA ALA 62 HA ALA 62 -11.160 0.857 0.857 424 1HB ALA 62 2HB ALA 62 -13.467 -0.049 -0.049 425 2HB ALA 62 1HB ALA 62 -13.932 0.048 0.048 426 3HB ALA 62 3HB ALA 62 -13.308 1.479 1.479 427 H ALA 63 H ALA 63 -10.784 1.060 1.060 428 HA ALA 63 HA ALA 63 -10.626 -1.239 -1.239 429 1HB ALA 63 2HB ALA 63 -10.441 1.759 1.759 430 2HB ALA 63 1HB ALA 63 -10.219 0.650 0.650 431 3HB ALA 63 3HB ALA 63 -9.124 0.581 0.581 432 H ASN 64 H ASN 64 -11.690 -1.004 -1.004 433 HA ASN 64 HA ASN 64 -14.629 -0.741 -0.741 434 1HB ASN 64 2HB ASN 64 -14.734 -2.130 -2.130 435 2HB ASN 64 1HB ASN 64 -13.638 -2.853 -2.853 436 1HD2 ASN 64 2HD2 ASN 64 -11.681 -2.981 -2.981 437 2HD2 ASN 64 1HD2 ASN 64 -12.950 -3.817 -3.817 438 H GLU 65 H GLU 65 -15.252 -0.506 -0.506 439 HA GLU 65 HA GLU 65 -15.030 2.388 2.388 440 1HB GLU 65 2HB GLU 65 -16.687 2.012 2.012 441 2HB GLU 65 1HB GLU 65 -16.992 0.757 0.757 442 1HG GLU 65 2HG GLU 65 -17.022 -0.470 -0.470 443 2HG GLU 65 1HG GLU 65 -15.350 -0.671 -0.671 444 H ARG 66 H ARG 66 -13.554 -0.503 -0.503 445 HA ARG 66 HA ARG 66 -12.430 0.749 0.749 446 1HB ARG 66 2HB ARG 66 -12.425 -1.771 -1.771 447 2HB ARG 66 1HB ARG 66 -10.747 -1.329 -1.329 448 1HG ARG 66 2HG ARG 66 -11.541 -0.751 -0.751 449 2HG ARG 66 1HG ARG 66 -13.008 -1.645 -1.645 450 1HD ARG 66 2HD ARG 66 -10.163 -2.710 -2.710 451 2HD ARG 66 1HD ARG 66 -11.507 -3.224 -3.224 452 HE ARG 66 HE ARG 66 -11.579 -3.562 -3.562 453 1HH1 ARG 66 1HH2 ARG 66 -13.541 -4.046 -4.046 454 2HH1 ARG 66 2HH2 ARG 66 -13.694 -5.764 -5.764 455 1HH2 ARG 66 1HH1 ARG 66 -11.167 -6.028 -6.028 456 2HH2 ARG 66 2HH1 ARG 66 -12.350 -6.886 -6.886 457 H GLU 67 H GLU 67 -11.293 0.366 0.366 458 HA GLU 67 HA GLU 67 -8.638 1.419 1.419 459 1HB GLU 67 2HB GLU 67 -9.068 0.164 0.164 460 2HB GLU 67 1HB GLU 67 -10.625 0.938 0.938 461 1HG GLU 67 2HG GLU 67 -8.215 2.682 2.682 462 2HG GLU 67 1HG GLU 67 -8.474 1.564 1.564 463 H ILE 68 H ILE 68 -11.698 2.907 2.907 464 HA ILE 68 HA ILE 68 -10.821 5.515 5.515 465 HB ILE 68 HB ILE 68 -13.303 4.095 4.095 466 1HG1 ILE 68 2HG1 ILE 68 -14.140 5.285 5.285 467 2HG1 ILE 68 1HG1 ILE 68 -12.871 6.504 6.504 468 1HG2 ILE 68 2HG2 ILE 68 -13.309 5.909 5.909 469 2HG2 ILE 68 1HG2 ILE 68 -13.248 7.093 7.093 470 3HG2 ILE 68 3HG2 ILE 68 -14.639 6.019 6.019 471 1HD1 ILE 68 3HD1 ILE 68 -11.751 3.826 3.826 472 2HD1 ILE 68 2HD1 ILE 68 -12.792 4.182 4.182 473 3HD1 ILE 68 1HD1 ILE 68 -11.432 5.241 5.241 474 H GLY 69 H GLY 69 -11.514 4.022 4.022 475 1HA GLY 69 2HA GLY 69 -11.244 6.537 6.537 476 2HA GLY 69 1HA GLY 69 -11.353 4.953 4.953 477 H MET 70 H MET 70 -9.206 3.586 3.586 478 HA MET 70 HA MET 70 -7.049 4.741 4.741 479 1HB MET 70 2HB MET 70 -6.311 2.608 2.608 480 2HB MET 70 1HB MET 70 -7.583 2.414 2.414 481 1HG MET 70 2HG MET 70 -5.278 4.026 4.026 482 2HG MET 70 1HG MET 70 -4.902 2.381 2.381 483 1HE MET 70 3HE MET 70 -7.006 0.835 0.835 484 2HE MET 70 2HE MET 70 -8.292 1.068 1.068 485 3HE MET 70 1HE MET 70 -6.855 0.139 0.139 486 H LEU 71 H LEU 71 -7.652 4.542 4.542 487 HA LEU 71 HA LEU 71 -5.352 5.799 5.799 488 1HB LEU 71 2HB LEU 71 -7.291 4.420 4.420 489 2HB LEU 71 1HB LEU 71 -8.109 5.975 5.975 490 HG LEU 71 HG LEU 71 -5.824 4.832 4.832 491 1HD1 LEU 71 3HD1 LEU 71 -8.348 6.046 6.046 492 2HD1 LEU 71 2HD1 LEU 71 -7.125 7.096 7.096 493 3HD1 LEU 71 1HD1 LEU 71 -7.222 5.398 5.398 494 1HD2 LEU 71 2HD2 LEU 71 -5.885 7.777 7.777 495 2HD2 LEU 71 1HD2 LEU 71 -4.607 6.634 6.634 496 3HD2 LEU 71 3HD2 LEU 71 -4.886 7.080 7.080 497 H GLU 72 H GLU 72 -8.363 7.103 7.103 498 HA GLU 72 HA GLU 72 -7.827 9.871 9.871 499 1HB GLU 72 2HB GLU 72 -10.095 9.530 9.530 500 2HB GLU 72 1HB GLU 72 -9.915 8.258 8.258 501 1HG GLU 72 2HG GLU 72 -10.067 9.711 9.711 502 2HG GLU 72 1HG GLU 72 -9.172 10.984 10.984 503 H CYS 73 H CYS 73 -7.596 7.912 7.912 504 HA CYS 73 HA CYS 73 -7.003 9.882 9.882 505 1HB CYS 73 2HB CYS 73 -6.315 7.035 7.035 506 2HB CYS 73 1HB CYS 73 -5.288 7.869 7.869 507 HG CYS 73 HG CYS 73 -7.373 6.931 6.931 508 H VAL 74 H VAL 74 -4.859 8.385 8.385 509 HA VAL 74 HA VAL 74 -2.632 10.185 10.185 510 HB VAL 74 HB VAL 74 -1.540 8.854 8.854 511 1HG1 VAL 74 2HG1 VAL 74 -2.022 8.265 8.265 512 2HG1 VAL 74 1HG1 VAL 74 -2.096 6.748 6.748 513 3HG1 VAL 74 3HG1 VAL 74 -0.657 7.762 7.762 514 1HG2 VAL 74 1HG2 VAL 74 -3.802 8.080 8.080 515 2HG2 VAL 74 3HG2 VAL 74 -2.609 6.803 6.803 516 3HG2 VAL 74 2HG2 VAL 74 -3.894 7.021 7.021 517 H THR 75 H THR 75 -4.266 11.966 11.966 518 HA THR 75 HA THR 75 -5.158 12.532 12.532 519 HB THR 75 HB THR 75 -5.550 13.871 13.871 520 HG1 THR 75 1HG THR 75 -4.911 15.976 15.976 521 1HG2 THR 75 3HG2 THR 75 -2.694 13.796 13.796 522 2HG2 THR 75 2HG2 THR 75 -3.194 15.486 15.486 523 3HG2 THR 75 1HG2 THR 75 -3.817 14.456 14.456 524 H ALA 76 H ALA 76 -3.782 11.946 11.946 525 HA ALA 76 HA ALA 76 -1.295 13.598 13.598 526 1HB ALA 76 3HB ALA 76 -1.597 10.774 10.774 527 2HB ALA 76 2HB ALA 76 -1.138 11.095 11.095 528 3HB ALA 76 1HB ALA 76 -0.118 11.668 11.668 529 H GLU 77 H GLU 77 -3.327 14.802 14.802 530 HA GLU 77 HA GLU 77 -4.574 15.325 15.325 531 1HB GLU 77 2HB GLU 77 -3.003 15.605 15.605 532 2HB GLU 77 1HB GLU 77 -2.294 16.182 16.182 533 1HG GLU 77 2HG GLU 77 -0.963 14.201 14.201 534 2HG GLU 77 1HG GLU 77 -1.835 13.388 13.388 535 H LEU 78 H LEU 78 -5.520 13.056 13.056 536 HA LEU 78 HA LEU 78 -5.155 10.673 10.673 537 1HB LEU 78 2HB LEU 78 -7.104 12.089 12.089 538 2HB LEU 78 1HB LEU 78 -7.933 11.360 11.360 539 HG LEU 78 HG LEU 78 -6.676 9.200 9.200 540 1HD1 LEU 78 1HD1 LEU 78 -5.591 10.992 10.992 541 2HD1 LEU 78 3HD1 LEU 78 -6.456 9.690 9.690 542 3HD1 LEU 78 2HD1 LEU 78 -5.159 9.311 9.311 543 1HD2 LEU 78 3HD2 LEU 78 -8.744 10.395 10.395 544 2HD2 LEU 78 2HD2 LEU 78 -9.034 9.378 9.378 545 3HD2 LEU 78 1HD2 LEU 78 -8.280 8.695 8.695 546 H LYS 79 H LYS 79 -5.397 9.963 9.963 547 HA LYS 79 HA LYS 79 -6.835 11.719 11.719 548 1HB LYS 79 2HB LYS 79 -4.915 10.111 10.111 549 2HB LYS 79 1HB LYS 79 -4.898 11.855 11.855 550 1HG LYS 79 2HG LYS 79 -3.894 11.044 11.044 551 2HG LYS 79 1HG LYS 79 -3.306 9.788 9.788 552 1HD LYS 79 2HD LYS 79 -1.653 11.172 11.172 553 2HD LYS 79 1HD LYS 79 -2.840 12.120 12.120 554 1HE LYS 79 2HE LYS 79 -3.304 13.475 13.475 555 2HE LYS 79 1HE LYS 79 -2.177 12.480 12.480 556 1HZ LYS 79 2HZ LYS 79 -1.217 13.584 13.584 557 2HZ LYS 79 1HZ LYS 79 -1.379 14.665 14.665 558 3HZ LYS 79 3HZ LYS 79 -0.374 13.307 13.307 559 HA PRO 80 HA PRO 80 -8.998 8.087 8.087 560 1HB PRO 80 2HB PRO 80 -8.370 7.578 7.578 561 2HB PRO 80 1HB PRO 80 -9.459 8.887 8.887 562 1HG PRO 80 2HG PRO 80 -6.571 8.991 8.991 563 2HG PRO 80 1HG PRO 80 -7.881 10.109 10.109 564 1HD PRO 80 2HD PRO 80 -6.104 10.660 10.660 565 2HD PRO 80 1HD PRO 80 -7.798 11.181 11.181 566 H ASN 81 H ASN 81 -5.554 8.000 8.000 567 HA ASN 81 HA ASN 81 -5.564 5.032 5.032 568 1HB ASN 81 2HB ASN 81 -3.190 5.418 5.418 569 2HB ASN 81 1HB ASN 81 -4.320 6.285 6.285 570 1HD2 ASN 81 2HD2 ASN 81 -1.546 8.557 8.557 571 2HD2 ASN 81 1HD2 ASN 81 -1.560 7.046 7.046 572 H SER 82 H SER 82 -5.003 7.492 7.492 573 HA SER 82 HA SER 82 -2.895 6.425 6.425 574 1HB SER 82 2HB SER 82 -5.459 7.460 7.460 575 2HB SER 82 1HB SER 82 -3.823 7.773 7.773 576 HG SER 82 HG SER 82 -3.884 8.635 8.635 577 H ARG 83 H ARG 83 -2.937 4.855 4.855 578 HA ARG 83 HA ARG 83 -5.360 3.500 3.500 579 1HB ARG 83 2HB ARG 83 -4.144 2.772 2.772 580 2HB ARG 83 1HB ARG 83 -4.018 1.401 1.401 581 1HG ARG 83 2HG ARG 83 -6.199 0.945 0.945 582 2HG ARG 83 1HG ARG 83 -6.625 2.537 2.537 583 1HD ARG 83 2HD ARG 83 -7.511 2.730 2.730 584 2HD ARG 83 1HD ARG 83 -5.857 3.239 3.239 585 HE ARG 83 HE ARG 83 -6.005 0.380 0.380 586 1HH1 ARG 83 1HH2 ARG 83 -5.183 2.799 2.799 587 2HH1 ARG 83 2HH2 ARG 83 -5.991 2.238 2.238 588 1HH2 ARG 83 1HH1 ARG 83 -7.832 -0.178 -0.178 589 2HH2 ARG 83 2HH1 ARG 83 -7.492 0.553 0.553 590 H LEU 84 H LEU 84 -4.887 1.578 1.578 591 HA LEU 84 HA LEU 84 -2.424 1.932 1.932 592 1HB LEU 84 2HB LEU 84 -5.084 0.943 0.943 593 2HB LEU 84 1HB LEU 84 -3.987 -0.409 -0.409 594 HG LEU 84 HG LEU 84 -4.024 2.232 2.232 595 1HD1 LEU 84 1HD1 LEU 84 -5.207 -0.326 -0.326 596 2HD1 LEU 84 3HD1 LEU 84 -3.896 -0.185 -0.185 597 3HD1 LEU 84 2HD1 LEU 84 -5.175 1.001 1.001 598 1HD2 LEU 84 2HD2 LEU 84 -1.753 0.865 0.865 599 2HD2 LEU 84 1HD2 LEU 84 -1.923 1.848 1.848 600 3HD2 LEU 84 3HD2 LEU 84 -2.180 0.105 0.105 601 H SER 85 H SER 85 -0.706 0.412 0.412 602 HA SER 85 HA SER 85 0.186 -1.128 -1.128 603 1HB SER 85 2HB SER 85 1.403 -2.349 -2.349 604 2HB SER 85 1HB SER 85 1.183 -0.728 -0.728 605 HG SER 85 HG SER 85 0.632 -2.489 -2.489 606 H CYS 86 H CYS 86 -2.232 -1.785 -1.785 607 HA CYS 86 HA CYS 86 -2.923 -4.526 -4.526 608 1HB CYS 86 2HB CYS 86 -4.691 -3.933 -3.933 609 2HB CYS 86 1HB CYS 86 -3.052 -4.500 -4.500 610 H GLN 87 H GLN 87 -3.552 -2.585 -2.585 611 HA GLN 87 HA GLN 87 -6.531 -2.460 -2.460 612 1HB GLN 87 2HB GLN 87 -4.714 -0.389 -0.389 613 2HB GLN 87 1HB GLN 87 -5.307 -0.462 -0.462 614 1HG GLN 87 2HG GLN 87 -6.890 0.908 0.908 615 2HG GLN 87 1HG GLN 87 -7.654 -0.665 -0.665 616 1HE2 GLN 87 2HE2 GLN 87 -6.461 -0.732 -0.732 617 2HE2 GLN 87 1HE2 GLN 87 -6.331 -1.731 -1.731 618 H ILE 88 H ILE 88 -3.904 -2.543 -2.543 619 HA ILE 88 HA ILE 88 -5.863 -3.371 -3.371 620 HB ILE 88 HB ILE 88 -3.065 -2.918 -2.918 621 1HG1 ILE 88 2HG1 ILE 88 -4.663 -0.728 -0.728 622 2HG1 ILE 88 1HG1 ILE 88 -3.054 -1.297 -1.297 623 1HG2 ILE 88 2HG2 ILE 88 -5.836 -2.165 -2.165 624 2HG2 ILE 88 1HG2 ILE 88 -4.494 -1.201 -1.201 625 3HG2 ILE 88 3HG2 ILE 88 -4.556 -2.931 -2.931 626 1HD1 ILE 88 3HD1 ILE 88 -2.369 -0.579 -0.579 627 2HD1 ILE 88 2HD1 ILE 88 -3.879 0.334 0.334 628 3HD1 ILE 88 1HD1 ILE 88 -2.640 0.693 0.693 629 H ILE 89 H ILE 89 -5.489 -5.141 -5.141 630 HA ILE 89 HA ILE 89 -3.797 -7.298 -7.298 631 HB ILE 89 HB ILE 89 -6.286 -7.173 -7.173 632 1HG1 ILE 89 2HG1 ILE 89 -6.742 -7.036 -7.036 633 2HG1 ILE 89 1HG1 ILE 89 -7.110 -8.691 -8.691 634 1HG2 ILE 89 1HG2 ILE 89 -4.725 -8.888 -8.888 635 2HG2 ILE 89 3HG2 ILE 89 -4.673 -9.642 -9.642 636 3HG2 ILE 89 2HG2 ILE 89 -6.185 -9.601 -9.601 637 1HD1 ILE 89 3HD1 ILE 89 -4.713 -9.270 -9.270 638 2HD1 ILE 89 2HD1 ILE 89 -4.665 -7.684 -7.684 639 3HD1 ILE 89 1HD1 ILE 89 -5.833 -8.891 -8.891 640 H MET 90 H MET 90 -2.743 -8.719 -8.719 641 HA MET 90 HA MET 90 -1.845 -7.006 -7.006 642 1HB MET 90 2HB MET 90 -0.414 -8.174 -8.174 643 2HB MET 90 1HB MET 90 -0.361 -9.454 -9.454 644 1HG MET 90 2HG MET 90 1.547 -7.901 -7.901 645 2HG MET 90 1HG MET 90 0.493 -7.859 -7.859 646 1HE MET 90 2HE MET 90 0.674 -6.141 -6.141 647 2HE MET 90 1HE MET 90 -0.879 -5.377 -5.377 648 3HE MET 90 3HE MET 90 0.613 -4.433 -4.433 649 H THR 91 H THR 91 -2.767 -7.588 -7.588 650 HA THR 91 HA THR 91 -3.763 -10.369 -10.369 651 HB THR 91 HB THR 91 -5.065 -9.416 -9.416 652 HG1 THR 91 1HG THR 91 -4.541 -7.325 -7.325 653 1HG2 THR 91 2HG2 THR 91 -4.666 -7.288 -7.288 654 2HG2 THR 91 1HG2 THR 91 -6.037 -7.369 -7.369 655 3HG2 THR 91 3HG2 THR 91 -5.790 -8.644 -8.644 656 HA PRO 92 HA PRO 92 -0.491 -11.509 -11.509 657 1HB PRO 92 2HB PRO 92 -1.783 -12.938 -12.938 658 2HB PRO 92 1HB PRO 92 -1.533 -13.546 -13.546 659 1HG PRO 92 2HG PRO 92 -3.971 -12.393 -12.393 660 2HG PRO 92 1HG PRO 92 -3.810 -13.688 -13.688 661 1HD PRO 92 2HD PRO 92 -4.546 -11.107 -11.107 662 2HD PRO 92 1HD PRO 92 -3.813 -12.237 -12.237 663 H GLU 93 H GLU 93 -2.784 -9.274 -9.274 664 HA GLU 93 HA GLU 93 -1.507 -8.816 -8.816 665 1HB GLU 93 2HB GLU 93 -3.660 -8.625 -8.625 666 2HB GLU 93 1HB GLU 93 -4.204 -8.895 -8.895 667 1HG GLU 93 2HG GLU 93 -4.120 -6.528 -6.528 668 2HG GLU 93 1HG GLU 93 -3.336 -6.188 -6.188 669 H LEU 94 H LEU 94 -2.808 -7.048 -7.048 670 HA LEU 94 HA LEU 94 -1.589 -4.519 -4.519 671 1HB LEU 94 2HB LEU 94 -3.180 -5.830 -5.830 672 2HB LEU 94 1HB LEU 94 -1.901 -4.909 -4.909 673 HG LEU 94 HG LEU 94 -3.910 -3.889 -3.889 674 1HD1 LEU 94 1HD1 LEU 94 -3.881 -4.082 -4.082 675 2HD1 LEU 94 3HD1 LEU 94 -3.619 -2.382 -2.382 676 3HD1 LEU 94 2HD1 LEU 94 -5.048 -3.216 -3.216 677 1HD2 LEU 94 2HD2 LEU 94 -1.236 -3.070 -3.070 678 2HD2 LEU 94 1HD2 LEU 94 -2.525 -2.163 -2.163 679 3HD2 LEU 94 3HD2 LEU 94 -2.185 -1.894 -1.894 680 H ASP 95 H ASP 95 0.550 -6.105 -6.105 681 HA ASP 95 HA ASP 95 2.151 -6.267 -6.267 682 1HB ASP 95 2HB ASP 95 3.613 -7.634 -7.634 683 2HB ASP 95 1HB ASP 95 1.997 -8.275 -8.275 684 H GLY 96 H GLY 96 4.073 -5.192 -5.192 685 1HA GLY 96 2HA GLY 96 5.995 -3.907 -3.907 686 2HA GLY 96 1HA GLY 96 4.991 -3.379 -3.379 687 H ILE 97 H ILE 97 3.578 -3.529 -3.529 688 HA ILE 97 HA ILE 97 2.898 -0.727 -0.727 689 HB ILE 97 HB ILE 97 1.389 -2.478 -2.478 690 1HG1 ILE 97 2HG1 ILE 97 1.604 0.004 0.004 691 2HG1 ILE 97 1HG1 ILE 97 0.406 -1.135 -1.135 692 1HG2 ILE 97 3HG2 ILE 97 3.626 -2.897 -2.897 693 2HG2 ILE 97 2HG2 ILE 97 1.972 -3.298 -3.298 694 3HG2 ILE 97 1HG2 ILE 97 2.714 -4.091 -4.091 695 1HD1 ILE 97 2HD1 ILE 97 3.089 -1.253 -1.253 696 2HD1 ILE 97 1HD1 ILE 97 2.134 0.192 0.192 697 3HD1 ILE 97 3HD1 ILE 97 1.489 -1.400 -1.400 698 H VAL 98 H VAL 98 3.397 0.904 0.904 699 HA VAL 98 HA VAL 98 5.909 0.526 0.526 700 HB VAL 98 HB VAL 98 4.744 3.024 3.024 701 1HG1 VAL 98 3HG1 VAL 98 6.526 2.955 2.955 702 2HG1 VAL 98 2HG1 VAL 98 7.637 2.647 2.647 703 3HG1 VAL 98 1HG1 VAL 98 6.666 4.118 4.118 704 1HG2 VAL 98 3HG2 VAL 98 5.371 1.208 1.208 705 2HG2 VAL 98 2HG2 VAL 98 6.318 2.686 2.686 706 3HG2 VAL 98 1HG2 VAL 98 7.015 1.279 1.279 707 H VAL 99 H VAL 99 5.535 0.715 0.715 708 HA VAL 99 HA VAL 99 2.993 2.040 2.040 709 HB VAL 99 HB VAL 99 4.820 0.660 0.660 710 1HG1 VAL 99 1HG1 VAL 99 1.916 1.156 1.156 711 2HG1 VAL 99 3HG1 VAL 99 2.370 -0.347 -0.347 712 3HG1 VAL 99 2HG1 VAL 99 2.915 1.210 1.210 713 1HG2 VAL 99 1HG2 VAL 99 3.747 -0.587 -0.587 714 2HG2 VAL 99 3HG2 VAL 99 4.998 -1.130 -1.130 715 3HG2 VAL 99 2HG2 VAL 99 3.302 -1.409 -1.409 716 H ASP 100 H ASP 100 3.316 3.022 3.022 717 HA ASP 100 HA ASP 100 5.917 4.162 4.162 718 1HB ASP 100 2HB ASP 100 3.745 5.718 5.718 719 2HB ASP 100 1HB ASP 100 4.845 6.554 6.554 720 H VAL 101 H VAL 101 6.018 4.978 4.978 721 HA VAL 101 HA VAL 101 3.508 4.593 4.593 722 HB VAL 101 HB VAL 101 6.434 4.961 4.961 723 1HG1 VAL 101 1HG1 VAL 101 4.741 6.015 6.015 724 2HG1 VAL 101 3HG1 VAL 101 4.190 4.369 4.369 725 3HG1 VAL 101 2HG1 VAL 101 5.853 4.826 4.826 726 1HG2 VAL 101 2HG2 VAL 101 5.362 2.731 2.731 727 2HG2 VAL 101 1HG2 VAL 101 6.427 2.665 2.665 728 3HG2 VAL 101 3HG2 VAL 101 4.677 2.612 2.612 729 HA PRO 102 HA PRO 102 2.995 8.936 8.936 730 1HB PRO 102 2HB PRO 102 0.866 9.172 9.172 731 2HB PRO 102 1HB PRO 102 0.778 8.596 8.596 732 1HG PRO 102 2HG PRO 102 0.606 7.099 7.099 733 2HG PRO 102 1HG PRO 102 -0.048 6.717 6.717 734 1HD PRO 102 2HD PRO 102 2.247 5.601 5.601 735 2HD PRO 102 1HD PRO 102 1.718 5.424 5.424 736 H ASP 103 H ASP 103 3.881 10.670 10.670 737 HA ASP 103 HA ASP 103 4.468 10.276 10.276 738 1HB ASP 103 2HB ASP 103 6.484 10.517 10.517 739 2HB ASP 103 1HB ASP 103 5.808 11.736 11.736 740 H ARG 104 H ARG 104 2.726 11.247 11.247 741 HA ARG 104 HA ARG 104 1.939 13.980 13.980 742 1HB ARG 104 2HB ARG 104 0.146 12.776 12.776 743 2HB ARG 104 1HB ARG 104 -0.212 13.369 13.369 744 1HG ARG 104 2HG ARG 104 -0.652 11.191 11.191 745 2HG ARG 104 1HG ARG 104 1.092 11.017 11.017 746 1HD ARG 104 2HD ARG 104 -0.698 10.373 10.373 747 2HD ARG 104 1HD ARG 104 0.458 9.311 9.311 748 HE ARG 104 HE ARG 104 1.562 11.741 11.741 749 1HH1 ARG 104 1HH2 ARG 104 3.135 9.287 9.287 750 2HH1 ARG 104 2HH2 ARG 104 3.443 8.527 8.527 751 1HH2 ARG 104 1HH1 ARG 104 1.038 10.358 10.358 752 2HH2 ARG 104 2HH1 ARG 104 2.255 9.133 9.133 753 H GLN 105 H GLN 105 4.218 13.172 13.172 754 HA GLN 105 HA GLN 105 3.355 14.732 14.732 755 1HB GLN 105 2HB GLN 105 4.263 12.134 12.134 756 2HB GLN 105 1HB GLN 105 5.744 13.017 13.017 757 1HG GLN 105 2HG GLN 105 4.198 14.205 14.205 758 2HG GLN 105 1HG GLN 105 3.251 12.725 12.725 759 1HE2 GLN 105 2HE2 GLN 105 6.605 10.991 10.991 760 2HE2 GLN 105 1HE2 GLN 105 5.869 11.235 11.235 761 H TRP 106 H TRP 106 5.992 15.071 15.071 762 HA TRP 106 HA TRP 106 7.414 16.587 16.587 763 1HB TRP 106 2HB TRP 106 5.761 17.651 17.651 764 2HB TRP 106 1HB TRP 106 7.424 18.021 18.021 765 HD1 TRP 106 HD TRP 106 5.175 20.107 20.107 766 HE1 TRP 106 1HE TRP 106 5.859 21.533 21.533 767 HE3 TRP 106 3HE TRP 106 9.082 17.322 17.322 768 HZ2 TRP 106 2HZ TRP 106 7.809 21.495 21.495 769 HZ3 TRP 106 3HZ TRP 106 10.336 18.038 18.038 770 HH2 TRP 106 HH TRP 106 9.703 20.119 20.119 Start of MODEL 15 1 1H SER 1 1HT SER 1 3.097 -11.431 -11.431 2 2H SER 1 3HT SER 1 2.063 -10.402 -10.402 3 3H SER 1 2HT SER 1 1.494 -11.208 -11.208 4 HA SER 1 HA SER 1 2.874 -9.914 -9.914 5 1HB SER 1 2HB SER 1 1.924 -7.772 -7.772 6 2HB SER 1 1HB SER 1 1.396 -8.180 -8.180 7 HG SER 1 HG SER 1 -0.289 -8.636 -8.636 8 H LYS 2 H LYS 2 4.563 -8.318 -8.318 9 HA LYS 2 HA LYS 2 6.680 -8.448 -8.448 10 1HB LYS 2 2HB LYS 2 6.610 -8.061 -8.061 11 2HB LYS 2 1HB LYS 2 6.507 -6.364 -6.364 12 1HG LYS 2 2HG LYS 2 8.842 -6.856 -6.856 13 2HG LYS 2 1HG LYS 2 8.536 -6.778 -6.778 14 1HD LYS 2 2HD LYS 2 9.358 -8.862 -8.862 15 2HD LYS 2 1HD LYS 2 8.012 -9.448 -9.448 16 1HE LYS 2 2HE LYS 2 9.292 -9.593 -9.593 17 2HE LYS 2 1HE LYS 2 10.287 -8.191 -8.191 18 1HZ LYS 2 3HZ LYS 2 10.386 -10.570 -10.570 19 2HZ LYS 2 2HZ LYS 2 11.224 -10.616 -10.616 20 3HZ LYS 2 1HZ LYS 2 11.595 -9.425 -9.425 21 H VAL 3 H VAL 3 6.725 -7.155 -7.155 22 HA VAL 3 HA VAL 3 5.222 -4.573 -4.573 23 HB VAL 3 HB VAL 3 5.431 -6.688 -6.688 24 1HG1 VAL 3 1HG1 VAL 3 4.699 -3.781 -3.781 25 2HG1 VAL 3 3HG1 VAL 3 3.962 -4.976 -4.976 26 3HG1 VAL 3 2HG1 VAL 3 5.712 -4.753 -4.753 27 1HG2 VAL 3 1HG2 VAL 3 3.352 -5.509 -5.509 28 2HG2 VAL 3 3HG2 VAL 3 3.574 -7.184 -7.184 29 3HG2 VAL 3 2HG2 VAL 3 2.849 -6.018 -6.018 30 H VAL 4 H VAL 4 6.120 -2.771 -2.771 31 HA VAL 4 HA VAL 4 8.783 -3.022 -3.022 32 HB VAL 4 HB VAL 4 7.913 -1.347 -1.347 33 1HG1 VAL 4 1HG1 VAL 4 9.922 -0.708 -0.708 34 2HG1 VAL 4 3HG1 VAL 4 10.336 -0.327 -0.327 35 3HG1 VAL 4 2HG1 VAL 4 8.898 0.382 0.382 36 1HG2 VAL 4 3HG2 VAL 4 9.437 -3.670 -3.670 37 2HG2 VAL 4 2HG2 VAL 4 9.351 -2.651 -2.651 38 3HG2 VAL 4 1HG2 VAL 4 10.626 -2.391 -2.391 39 H TYR 5 H TYR 5 8.717 -2.048 -2.048 40 HA TYR 5 HA TYR 5 6.514 -0.137 -0.137 41 1HB TYR 5 2HB TYR 5 8.445 -1.683 -1.683 42 2HB TYR 5 1HB TYR 5 7.069 -0.743 -0.743 43 HD1 TYR 5 2HD TYR 5 4.778 -1.281 -1.281 44 HD2 TYR 5 1HD TYR 5 8.130 -3.992 -3.992 45 HE1 TYR 5 2HE TYR 5 3.260 -3.205 -3.205 46 HE2 TYR 5 1HE TYR 5 6.618 -5.827 -5.827 47 HH TYR 5 HH TYR 5 4.162 -6.376 -6.376 48 H VAL 6 H VAL 6 6.922 1.936 1.936 49 HA VAL 6 HA VAL 6 9.832 2.721 2.721 50 HB VAL 6 HB VAL 6 7.590 4.574 4.574 51 1HG1 VAL 6 1HG1 VAL 6 10.129 5.140 5.140 52 2HG1 VAL 6 3HG1 VAL 6 10.381 4.650 4.650 53 3HG1 VAL 6 2HG1 VAL 6 9.288 5.982 5.982 54 1HG2 VAL 6 3HG2 VAL 6 7.655 2.473 2.473 55 2HG2 VAL 6 2HG2 VAL 6 7.882 3.992 3.992 56 3HG2 VAL 6 1HG2 VAL 6 9.272 2.969 2.969 57 H SER 7 H SER 7 10.360 4.203 4.203 58 HA SER 7 HA SER 7 8.249 4.548 4.548 59 1HB SER 7 2HB SER 7 10.474 4.950 4.950 60 2HB SER 7 1HB SER 7 9.996 3.305 3.305 61 HG SER 7 HG SER 7 11.404 3.370 3.370 62 H HIS 8 H HIS 8 7.815 6.661 6.661 63 HA HIS 8 HA HIS 8 8.221 8.842 8.842 64 1HB HIS 8 2HB HIS 8 7.195 8.306 8.306 65 2HB HIS 8 1HB HIS 8 8.333 9.639 9.639 66 HD1 HIS 8 1HD HIS 8 5.378 8.667 8.667 67 HD2 HIS 8 2HD HIS 8 7.365 12.098 12.098 68 HE1 HIS 8 1HE HIS 8 4.013 10.640 10.640 69 H ASP 9 H ASP 9 10.582 7.354 7.354 70 HA ASP 9 HA ASP 9 12.402 9.652 9.652 71 1HB ASP 9 2HB ASP 9 13.744 8.267 8.267 72 2HB ASP 9 1HB ASP 9 12.087 7.820 7.820 73 H GLY 10 H GLY 10 11.576 7.263 7.263 74 1HA GLY 10 2HA GLY 10 12.580 7.448 7.448 75 2HA GLY 10 1HA GLY 10 14.133 7.720 7.720 76 H THR 11 H THR 11 13.906 5.510 5.510 77 HA THR 11 HA THR 11 15.097 3.446 3.446 78 HB THR 11 HB THR 11 14.058 3.979 3.979 79 HG1 THR 11 1HG THR 11 15.635 2.131 2.131 80 1HG2 THR 11 1HG2 THR 11 13.303 1.301 1.301 81 2HG2 THR 11 3HG2 THR 11 13.753 1.432 1.432 82 3HG2 THR 11 2HG2 THR 11 12.375 2.337 2.337 83 H ARG 12 H ARG 12 14.335 1.601 1.601 84 HA ARG 12 HA ARG 12 11.381 1.427 1.427 85 1HB ARG 12 2HB ARG 12 13.664 1.071 1.071 86 2HB ARG 12 1HB ARG 12 11.952 0.894 0.894 87 1HG ARG 12 2HG ARG 12 11.649 3.278 3.278 88 2HG ARG 12 1HG ARG 12 13.409 3.404 3.404 89 1HD ARG 12 2HD ARG 12 12.716 2.300 2.300 90 2HD ARG 12 1HD ARG 12 11.577 3.633 3.633 91 HE ARG 12 HE ARG 12 13.831 4.851 4.851 92 1HH1 ARG 12 1HH2 ARG 12 14.731 2.232 2.232 93 2HH1 ARG 12 2HH2 ARG 12 15.350 3.064 3.064 94 1HH2 ARG 12 1HH1 ARG 12 14.013 6.130 6.130 95 2HH2 ARG 12 2HH1 ARG 12 14.944 5.271 5.271 96 H ARG 13 H ARG 13 10.615 -0.757 -0.757 97 HA ARG 13 HA ARG 13 12.515 -2.995 -2.995 98 1HB ARG 13 2HB ARG 13 11.030 -2.085 -2.085 99 2HB ARG 13 1HB ARG 13 9.728 -2.942 -2.942 100 1HG ARG 13 2HG ARG 13 10.443 -4.900 -4.900 101 2HG ARG 13 1HG ARG 13 12.029 -4.648 -4.648 102 1HD ARG 13 2HD ARG 13 11.923 -4.909 -4.909 103 2HD ARG 13 1HD ARG 13 12.871 -3.554 -3.554 104 HE ARG 13 HE ARG 13 10.094 -2.813 -2.813 105 1HH1 ARG 13 1HH2 ARG 13 12.559 -3.917 -3.917 106 2HH1 ARG 13 2HH2 ARG 13 12.461 -2.578 -2.578 107 1HH2 ARG 13 1HH1 ARG 13 10.188 -0.817 -0.817 108 2HH2 ARG 13 2HH1 ARG 13 11.119 -0.823 -0.823 109 H GLU 14 H GLU 14 12.326 -4.437 -4.437 110 HA GLU 14 HA GLU 14 9.814 -4.411 -4.411 111 1HB GLU 14 2HB GLU 14 12.447 -5.809 -5.809 112 2HB GLU 14 1HB GLU 14 11.189 -5.411 -5.411 113 1HG GLU 14 2HG GLU 14 12.220 -3.447 -3.447 114 2HG GLU 14 1HG GLU 14 11.860 -2.985 -2.985 115 H LEU 15 H LEU 15 8.322 -5.998 -5.998 116 HA LEU 15 HA LEU 15 9.235 -8.517 -8.517 117 1HB LEU 15 2HB LEU 15 6.753 -6.849 -6.849 118 2HB LEU 15 1HB LEU 15 6.576 -8.579 -8.579 119 HG LEU 15 HG LEU 15 8.222 -6.652 -6.652 120 1HD1 LEU 15 1HD1 LEU 15 5.565 -7.829 -7.829 121 2HD1 LEU 15 3HD1 LEU 15 6.570 -8.284 -8.284 122 3HD1 LEU 15 2HD1 LEU 15 6.294 -6.583 -6.583 123 1HD2 LEU 15 1HD2 LEU 15 9.336 -8.859 -8.859 124 2HD2 LEU 15 3HD2 LEU 15 8.840 -8.523 -8.523 125 3HD2 LEU 15 2HD2 LEU 15 7.869 -9.615 -9.615 126 H ASP 16 H ASP 16 8.581 -10.501 -10.501 127 HA ASP 16 HA ASP 16 7.594 -10.417 -10.417 128 1HB ASP 16 2HB ASP 16 9.109 -12.381 -12.381 129 2HB ASP 16 1HB ASP 16 8.349 -12.914 -12.914 130 H VAL 17 H VAL 17 5.370 -10.059 -10.059 131 HA VAL 17 HA VAL 17 4.075 -12.008 -12.008 132 HB VAL 17 HB VAL 17 3.280 -9.407 -9.407 133 1HG1 VAL 17 3HG1 VAL 17 1.684 -11.272 -11.272 134 2HG1 VAL 17 2HG1 VAL 17 1.257 -9.576 -9.576 135 3HG1 VAL 17 1HG1 VAL 17 1.257 -10.689 -10.689 136 1HG2 VAL 17 2HG2 VAL 17 4.495 -10.201 -10.201 137 2HG2 VAL 17 1HG2 VAL 17 4.387 -8.602 -8.602 138 3HG2 VAL 17 3HG2 VAL 17 3.047 -9.221 -9.221 139 H ALA 18 H ALA 18 1.816 -12.710 -12.710 140 HA ALA 18 HA ALA 18 1.875 -13.442 -13.442 141 1HB ALA 18 3HB ALA 18 2.413 -15.192 -15.192 142 2HB ALA 18 2HB ALA 18 0.692 -15.114 -15.114 143 3HB ALA 18 1HB ALA 18 1.220 -15.634 -15.634 144 H ASP 19 H ASP 19 -0.758 -14.863 -14.863 145 HA ASP 19 HA ASP 19 -2.479 -12.451 -12.451 146 1HB ASP 19 2HB ASP 19 -3.280 -13.649 -13.649 147 2HB ASP 19 1HB ASP 19 -2.196 -14.972 -14.972 148 H GLY 20 H GLY 20 -3.685 -11.931 -11.931 149 1HA GLY 20 2HA GLY 20 -5.439 -12.640 -12.640 150 2HA GLY 20 1HA GLY 20 -4.521 -14.123 -14.123 151 H VAL 21 H VAL 21 -2.197 -11.799 -11.799 152 HA VAL 21 HA VAL 21 -2.158 -11.555 -11.555 153 HB VAL 21 HB VAL 21 -0.036 -11.085 -11.085 154 1HG1 VAL 21 1HG1 VAL 21 0.079 -11.182 -11.182 155 2HG1 VAL 21 3HG1 VAL 21 1.504 -11.209 -11.209 156 3HG1 VAL 21 2HG1 VAL 21 0.444 -9.799 -9.799 157 1HG2 VAL 21 1HG2 VAL 21 -0.974 -13.489 -13.489 158 2HG2 VAL 21 3HG2 VAL 21 -0.066 -13.367 -13.367 159 3HG2 VAL 21 2HG2 VAL 21 0.774 -13.241 -13.241 160 H SER 22 H SER 22 -1.186 -9.473 -9.473 161 HA SER 22 HA SER 22 -2.165 -7.116 -7.116 162 1HB SER 22 2HB SER 22 -2.070 -6.536 -6.536 163 2HB SER 22 1HB SER 22 -3.510 -6.769 -6.769 164 HG SER 22 HG SER 22 -3.768 -8.446 -8.446 165 H LEU 23 H LEU 23 -0.907 -5.051 -5.051 166 HA LEU 23 HA LEU 23 1.922 -5.387 -5.387 167 1HB LEU 23 2HB LEU 23 0.148 -3.155 -3.155 168 2HB LEU 23 1HB LEU 23 1.888 -2.989 -2.989 169 HG LEU 23 HG LEU 23 1.890 -2.922 -2.922 170 1HD1 LEU 23 1HD1 LEU 23 0.667 -5.121 -5.121 171 2HD1 LEU 23 3HD1 LEU 23 -0.844 -4.218 -4.218 172 3HD1 LEU 23 2HD1 LEU 23 0.257 -3.935 -3.935 173 1HD2 LEU 23 1HD2 LEU 23 -0.770 -1.842 -1.842 174 2HD2 LEU 23 3HD2 LEU 23 0.721 -0.950 -0.950 175 3HD2 LEU 23 2HD2 LEU 23 -0.199 -1.622 -1.622 176 H MET 24 H MET 24 -0.272 -5.201 -5.201 177 HA MET 24 HA MET 24 1.678 -5.018 -5.018 178 1HB MET 24 2HB MET 24 -0.492 -4.389 -4.389 179 2HB MET 24 1HB MET 24 -1.202 -5.770 -5.770 180 1HG MET 24 2HG MET 24 -1.010 -7.103 -7.103 181 2HG MET 24 1HG MET 24 0.617 -6.520 -6.520 182 1HE MET 24 1HE MET 24 -0.768 -7.304 -7.304 183 2HE MET 24 3HE MET 24 0.456 -6.138 -6.138 184 3HE MET 24 2HE MET 24 -1.190 -6.046 -6.046 185 H GLN 25 H GLN 25 -0.378 -7.746 -7.746 186 HA GLN 25 HA GLN 25 0.656 -9.772 -9.772 187 1HB GLN 25 2HB GLN 25 -1.168 -9.759 -9.759 188 2HB GLN 25 1HB GLN 25 0.034 -9.760 -9.760 189 1HG GLN 25 2HG GLN 25 0.664 -11.970 -11.970 190 2HG GLN 25 1HG GLN 25 0.108 -11.914 -11.914 191 1HE2 GLN 25 2HE2 GLN 25 -3.219 -11.798 -11.798 192 2HE2 GLN 25 1HE2 GLN 25 -2.160 -10.475 -10.475 193 H ALA 26 H ALA 26 1.899 -9.640 -9.640 194 HA ALA 26 HA ALA 26 4.149 -11.231 -11.231 195 1HB ALA 26 3HB ALA 26 3.729 -8.707 -8.707 196 2HB ALA 26 2HB ALA 26 5.241 -9.647 -9.647 197 3HB ALA 26 1HB ALA 26 3.686 -10.393 -10.393 198 H ALA 27 H ALA 27 4.148 -7.690 -7.690 199 HA ALA 27 HA ALA 27 6.747 -7.277 -7.277 200 1HB ALA 27 2HB ALA 27 4.046 -5.991 -5.991 201 2HB ALA 27 1HB ALA 27 5.446 -5.282 -5.282 202 3HB ALA 27 3HB ALA 27 5.414 -5.441 -5.441 203 H VAL 28 H VAL 28 3.747 -7.449 -7.449 204 HA VAL 28 HA VAL 28 4.359 -7.413 -7.413 205 HB VAL 28 HB VAL 28 2.532 -8.735 -8.735 206 1HG1 VAL 28 1HG1 VAL 28 3.369 -10.273 -10.273 207 2HG1 VAL 28 3HG1 VAL 28 1.662 -10.258 -10.258 208 3HG1 VAL 28 2HG1 VAL 28 2.856 -10.873 -10.873 209 1HG2 VAL 28 2HG2 VAL 28 2.185 -6.758 -6.758 210 2HG2 VAL 28 1HG2 VAL 28 0.887 -7.951 -7.951 211 3HG2 VAL 28 3HG2 VAL 28 1.976 -7.966 -7.966 212 H SER 29 H SER 29 4.498 -10.550 -10.550 213 HA SER 29 HA SER 29 5.952 -11.979 -11.979 214 1HB SER 29 2HB SER 29 5.345 -13.516 -13.516 215 2HB SER 29 1HB SER 29 4.933 -12.229 -12.229 216 HG SER 29 HG SER 29 6.981 -13.937 -13.937 217 H ASN 30 H ASN 30 7.007 -10.330 -10.330 218 HA ASN 30 HA ASN 30 9.811 -10.773 -10.773 219 1HB ASN 30 2HB ASN 30 7.888 -9.017 -9.017 220 2HB ASN 30 1HB ASN 30 9.495 -8.319 -8.319 221 1HD2 ASN 30 2HD2 ASN 30 8.893 -11.265 -11.265 222 2HD2 ASN 30 1HD2 ASN 30 7.621 -10.563 -10.563 223 H GLY 31 H GLY 31 7.623 -9.034 -9.034 224 1HA GLY 31 2HA GLY 31 8.165 -7.864 -7.864 225 2HA GLY 31 1HA GLY 31 9.866 -7.878 -7.878 226 H ILE 32 H ILE 32 8.547 -6.906 -6.906 227 HA ILE 32 HA ILE 32 9.363 -4.276 -4.276 228 HB ILE 32 HB ILE 32 7.054 -5.781 -5.781 229 1HG1 ILE 32 2HG1 ILE 32 9.723 -4.797 -4.797 230 2HG1 ILE 32 1HG1 ILE 32 9.221 -6.469 -6.469 231 1HG2 ILE 32 3HG2 ILE 32 7.890 -2.933 -2.933 232 2HG2 ILE 32 2HG2 ILE 32 6.841 -3.900 -3.900 233 3HG2 ILE 32 1HG2 ILE 32 6.313 -3.465 -3.465 234 1HD1 ILE 32 1HD1 ILE 32 7.243 -5.564 -5.564 235 2HD1 ILE 32 3HD1 ILE 32 8.617 -4.634 -4.634 236 3HD1 ILE 32 2HD1 ILE 32 8.690 -6.397 -6.397 237 H TYR 33 H TYR 33 6.383 -5.558 -5.558 238 HA TYR 33 HA TYR 33 5.644 -2.801 -2.801 239 1HB TYR 33 2HB TYR 33 4.169 -5.397 -5.397 240 2HB TYR 33 1HB TYR 33 3.467 -4.068 -4.068 241 HD1 TYR 33 1HD TYR 33 3.402 -1.740 -1.740 242 HD2 TYR 33 2HD TYR 33 4.098 -5.398 -5.398 243 HE1 TYR 33 1HE TYR 33 2.758 -0.622 -0.622 244 HE2 TYR 33 2HE TYR 33 3.441 -4.323 -4.323 245 HH TYR 33 HH TYR 33 3.181 -0.949 -0.949 246 H ASP 34 H ASP 34 7.657 -3.507 -3.507 247 HA ASP 34 HA ASP 34 6.869 -5.169 -5.169 248 1HB ASP 34 2HB ASP 34 8.964 -4.169 -4.169 249 2HB ASP 34 1HB ASP 34 9.208 -4.838 -4.838 250 H ILE 35 H ILE 35 4.838 -3.239 -3.239 251 HA ILE 35 HA ILE 35 5.058 -1.361 -1.361 252 HB ILE 35 HB ILE 35 5.051 -0.137 -0.137 253 1HG1 ILE 35 2HG1 ILE 35 2.254 0.294 0.294 254 2HG1 ILE 35 1HG1 ILE 35 2.744 -0.116 -0.116 255 1HG2 ILE 35 1HG2 ILE 35 2.790 -1.976 -1.976 256 2HG2 ILE 35 3HG2 ILE 35 3.340 -0.577 -0.577 257 3HG2 ILE 35 2HG2 ILE 35 4.423 -1.944 -1.944 258 1HD1 ILE 35 1HD1 ILE 35 4.746 1.560 1.560 259 2HD1 ILE 35 3HD1 ILE 35 3.525 2.219 2.219 260 3HD1 ILE 35 2HD1 ILE 35 3.210 2.140 2.140 261 H VAL 36 H VAL 36 3.572 -1.804 -1.804 262 HA VAL 36 HA VAL 36 1.554 -3.886 -3.886 263 HB VAL 36 HB VAL 36 2.749 -3.738 -3.738 264 1HG1 VAL 36 3HG1 VAL 36 2.446 -0.918 -0.918 265 2HG1 VAL 36 2HG1 VAL 36 1.801 -1.312 -1.312 266 3HG1 VAL 36 1HG1 VAL 36 3.464 -1.734 -1.734 267 1HG2 VAL 36 1HG2 VAL 36 0.092 -4.005 -4.005 268 2HG2 VAL 36 3HG2 VAL 36 0.953 -3.975 -3.975 269 3HG2 VAL 36 2HG2 VAL 36 0.156 -2.518 -2.518 270 H GLY 37 H GLY 37 -0.376 -3.442 -3.442 271 1HA GLY 37 2HA GLY 37 -1.631 -0.776 -0.776 272 2HA GLY 37 1HA GLY 37 -1.802 -1.611 -1.611 273 H ASP 38 H ASP 38 -4.147 -1.559 -1.559 274 HA ASP 38 HA ASP 38 -5.087 -3.530 -3.530 275 1HB ASP 38 2HB ASP 38 -5.870 -0.857 -0.857 276 2HB ASP 38 1HB ASP 38 -7.223 -1.960 -1.960 277 H CYS 39 H CYS 39 -4.392 -3.325 -3.325 278 HA CYS 39 HA CYS 39 -6.712 -4.393 -4.393 279 1HB CYS 39 2HB CYS 39 -4.965 -4.940 -4.940 280 2HB CYS 39 1HB CYS 39 -4.983 -3.275 -3.275 281 H GLY 40 H GLY 40 -3.839 -5.968 -5.968 282 1HA GLY 40 2HA GLY 40 -3.394 -8.274 -8.274 283 2HA GLY 40 1HA GLY 40 -5.107 -8.363 -8.363 284 H GLY 41 H GLY 41 -4.034 -7.199 -7.199 285 1HA GLY 41 2HA GLY 41 -4.106 -8.186 -8.186 286 2HA GLY 41 1HA GLY 41 -4.506 -9.731 -9.731 287 H SER 42 H SER 42 -6.222 -6.672 -6.672 288 HA SER 42 HA SER 42 -8.524 -7.732 -7.732 289 1HB SER 42 2HB SER 42 -8.345 -8.152 -8.152 290 2HB SER 42 1HB SER 42 -9.057 -6.541 -6.541 291 HG SER 42 HG SER 42 -10.848 -7.305 -7.305 292 H ALA 43 H ALA 43 -6.522 -5.194 -5.194 293 HA ALA 43 HA ALA 43 -6.696 -2.995 -2.995 294 1HB ALA 43 1HB ALA 43 -8.473 -4.382 -4.382 295 2HB ALA 43 3HB ALA 43 -9.614 -3.416 -3.416 296 3HB ALA 43 2HB ALA 43 -8.430 -2.623 -2.623 297 H SER 44 H SER 44 -6.783 -3.131 -3.131 298 HA SER 44 HA SER 44 -8.773 -1.034 -1.034 299 1HB SER 44 2HB SER 44 -7.945 -2.827 -2.827 300 2HB SER 44 1HB SER 44 -9.569 -2.353 -2.353 301 HG SER 44 HG SER 44 -8.364 -4.658 -4.658 302 H CYS 45 H CYS 45 -5.958 -0.875 -0.875 303 HA CYS 45 HA CYS 45 -4.628 -0.232 -0.232 304 1HB CYS 45 2HB CYS 45 -2.521 -0.362 -0.362 305 2HB CYS 45 1HB CYS 45 -3.302 -1.814 -1.814 306 H ALA 46 H ALA 46 -4.240 1.797 1.797 307 HA ALA 46 HA ALA 46 -4.346 3.965 3.965 308 1HB ALA 46 3HB ALA 46 -3.933 3.845 3.845 309 2HB ALA 46 2HB ALA 46 -4.022 5.348 5.348 310 3HB ALA 46 1HB ALA 46 -5.422 4.280 4.280 311 H THR 47 H THR 47 -2.127 1.703 1.703 312 HA THR 47 HA THR 47 0.213 3.562 3.562 313 HB THR 47 HB THR 47 1.359 1.799 1.799 314 HG1 THR 47 1HG THR 47 -0.805 0.107 0.107 315 1HG2 THR 47 3HG2 THR 47 -0.981 2.819 2.819 316 2HG2 THR 47 2HG2 THR 47 -1.229 1.080 1.080 317 3HG2 THR 47 1HG2 THR 47 0.177 1.848 1.848 318 H CYS 48 H CYS 48 -0.980 0.575 0.575 319 HA CYS 48 HA CYS 48 1.304 0.511 0.511 320 1HB CYS 48 2HB CYS 48 -1.288 -0.829 -0.829 321 2HB CYS 48 1HB CYS 48 0.353 -1.378 -1.378 322 H HIS 49 H HIS 49 -0.639 3.004 3.004 323 HA HIS 49 HA HIS 49 -2.084 3.309 3.309 324 1HB HIS 49 2HB HIS 49 -1.571 4.975 4.975 325 2HB HIS 49 1HB HIS 49 -0.056 5.308 5.308 326 HD1 HIS 49 1HD HIS 49 -2.348 7.452 7.452 327 HD2 HIS 49 2HD HIS 49 -1.737 5.170 5.170 328 HE1 HIS 49 1HE HIS 49 -3.430 8.711 8.711 329 H VAL 50 H VAL 50 -1.486 3.398 3.398 330 HA VAL 50 HA VAL 50 1.428 3.573 3.573 331 HB VAL 50 HB VAL 50 1.049 1.691 1.691 332 1HG1 VAL 50 3HG1 VAL 50 1.095 1.555 1.555 333 2HG1 VAL 50 2HG1 VAL 50 0.537 0.070 0.070 334 3HG1 VAL 50 1HG1 VAL 50 2.116 0.742 0.742 335 1HG2 VAL 50 2HG2 VAL 50 -1.446 2.039 2.039 336 2HG2 VAL 50 1HG2 VAL 50 -0.949 0.360 0.360 337 3HG2 VAL 50 3HG2 VAL 50 -1.505 1.301 1.301 338 H TYR 51 H TYR 51 1.845 4.239 4.239 339 HA TYR 51 HA TYR 51 -0.441 5.581 5.581 340 1HB TYR 51 2HB TYR 51 2.359 6.346 6.346 341 2HB TYR 51 1HB TYR 51 1.656 7.046 7.046 342 HD1 TYR 51 1HD TYR 51 -1.048 6.362 6.362 343 HD2 TYR 51 2HD TYR 51 2.249 9.105 9.105 344 HE1 TYR 51 1HE TYR 51 -2.287 8.059 8.059 345 HE2 TYR 51 2HE TYR 51 0.987 10.807 10.807 346 HH TYR 51 HH TYR 51 -0.818 11.188 11.188 347 H VAL 52 H VAL 52 -0.813 4.684 4.684 348 HA VAL 52 HA VAL 52 1.340 3.048 3.048 349 HB VAL 52 HB VAL 52 -1.591 3.265 3.265 350 1HG1 VAL 52 1HG1 VAL 52 0.661 1.717 1.717 351 2HG1 VAL 52 3HG1 VAL 52 -0.555 0.642 0.642 352 3HG1 VAL 52 2HG1 VAL 52 -0.993 1.743 1.743 353 1HG2 VAL 52 2HG2 VAL 52 -0.390 2.225 2.225 354 2HG2 VAL 52 1HG2 VAL 52 -2.098 2.342 2.342 355 3HG2 VAL 52 3HG2 VAL 52 -1.160 0.930 0.930 356 H ASN 53 H ASN 53 1.215 3.207 3.207 357 HA ASN 53 HA ASN 53 1.466 6.092 6.092 358 1HB ASN 53 2HB ASN 53 2.570 5.119 5.119 359 2HB ASN 53 1HB ASN 53 3.251 4.402 4.402 360 1HD2 ASN 53 2HD2 ASN 53 1.886 1.218 1.218 361 2HD2 ASN 53 1HD2 ASN 53 2.647 2.189 2.189 362 H GLU 54 H GLU 54 -0.013 7.067 7.067 363 HA GLU 54 HA GLU 54 -2.610 6.335 6.335 364 1HB GLU 54 2HB GLU 54 -2.418 7.669 7.669 365 2HB GLU 54 1HB GLU 54 -1.703 8.445 8.445 366 1HG GLU 54 2HG GLU 54 0.149 6.673 6.673 367 2HG GLU 54 1HG GLU 54 -0.402 8.055 8.055 368 H ALA 55 H ALA 55 0.139 4.859 4.859 369 HA ALA 55 HA ALA 55 -1.345 3.646 3.646 370 1HB ALA 55 1HB ALA 55 1.302 3.969 3.969 371 2HB ALA 55 3HB ALA 55 1.043 2.225 2.225 372 3HB ALA 55 2HB ALA 55 0.766 3.148 3.148 373 H PHE 56 H PHE 56 -0.254 2.341 2.341 374 HA PHE 56 HA PHE 56 -1.787 -0.147 -0.147 375 1HB PHE 56 2HB PHE 56 0.241 0.676 0.676 376 2HB PHE 56 1HB PHE 56 -0.578 -0.875 -0.875 377 HD1 PHE 56 1HD PHE 56 1.557 1.304 1.304 378 HD2 PHE 56 2HD PHE 56 0.242 -2.748 -2.748 379 HE1 PHE 56 1HE PHE 56 3.145 0.450 0.450 380 HE2 PHE 56 2HE PHE 56 1.810 -3.527 -3.527 381 HZ PHE 56 HZ PHE 56 3.278 -1.976 -1.976 382 H THR 57 H THR 57 -2.295 2.809 2.809 383 HA THR 57 HA THR 57 -3.912 1.638 1.638 384 HB THR 57 HB THR 57 -4.010 3.790 3.790 385 HG1 THR 57 1HG THR 57 -5.021 5.215 5.215 386 1HG2 THR 57 3HG2 THR 57 -1.623 3.360 3.360 387 2HG2 THR 57 2HG2 THR 57 -2.152 4.924 4.924 388 3HG2 THR 57 1HG2 THR 57 -1.948 4.684 4.684 389 H ASP 58 H ASP 58 -4.462 3.023 3.023 390 HA ASP 58 HA ASP 58 -7.363 3.133 3.133 391 1HB ASP 58 2HB ASP 58 -7.223 3.783 3.783 392 2HB ASP 58 1HB ASP 58 -5.808 4.475 4.475 393 H LYS 59 H LYS 59 -5.002 0.729 0.729 394 HA LYS 59 HA LYS 59 -6.927 -1.034 -1.034 395 1HB LYS 59 2HB LYS 59 -4.120 -1.467 -1.467 396 2HB LYS 59 1HB LYS 59 -4.960 -2.526 -2.526 397 1HG LYS 59 2HG LYS 59 -4.086 0.337 0.337 398 2HG LYS 59 1HG LYS 59 -3.521 -1.105 -1.105 399 1HD LYS 59 2HD LYS 59 -6.331 0.033 0.033 400 2HD LYS 59 1HD LYS 59 -5.148 0.076 0.076 401 1HE LYS 59 2HE LYS 59 -5.348 -2.640 -2.640 402 2HE LYS 59 1HE LYS 59 -6.999 -2.025 -2.025 403 1HZ LYS 59 1HZ LYS 59 -4.963 -1.259 -1.259 404 2HZ LYS 59 3HZ LYS 59 -5.592 -2.831 -2.831 405 3HZ LYS 59 2HZ LYS 59 -6.632 -1.493 -1.493 406 H VAL 60 H VAL 60 -5.039 -1.228 -1.228 407 HA VAL 60 HA VAL 60 -5.950 -3.527 -3.527 408 HB VAL 60 HB VAL 60 -5.772 -2.143 -2.143 409 1HG1 VAL 60 1HG1 VAL 60 -3.644 -2.053 -2.053 410 2HG1 VAL 60 3HG1 VAL 60 -3.351 -1.515 -1.515 411 3HG1 VAL 60 2HG1 VAL 60 -3.788 -3.194 -3.194 412 1HG2 VAL 60 3HG2 VAL 60 -6.636 -0.044 -0.044 413 2HG2 VAL 60 2HG2 VAL 60 -5.054 0.181 0.181 414 3HG2 VAL 60 1HG2 VAL 60 -5.192 0.050 0.050 415 HA PRO 61 HA PRO 61 -10.278 -3.318 -3.318 416 1HB PRO 61 2HB PRO 61 -10.494 -4.230 -4.230 417 2HB PRO 61 1HB PRO 61 -10.157 -5.276 -5.276 418 1HG PRO 61 2HG PRO 61 -8.259 -4.110 -4.110 419 2HG PRO 61 1HG PRO 61 -8.309 -5.749 -5.749 420 1HD PRO 61 2HD PRO 61 -6.556 -3.917 -3.917 421 2HD PRO 61 1HD PRO 61 -7.306 -5.109 -5.109 422 H ALA 62 H ALA 62 -11.924 -2.311 -2.311 423 HA ALA 62 HA ALA 62 -11.231 0.368 0.368 424 1HB ALA 62 3HB ALA 62 -13.311 -0.997 -0.997 425 2HB ALA 62 2HB ALA 62 -13.981 -0.545 -0.545 426 3HB ALA 62 1HB ALA 62 -13.337 0.698 0.698 427 H ALA 63 H ALA 63 -10.761 0.812 0.812 428 HA ALA 63 HA ALA 63 -11.095 -1.062 -1.062 429 1HB ALA 63 1HB ALA 63 -9.393 0.831 0.831 430 2HB ALA 63 3HB ALA 63 -10.678 1.933 1.933 431 3HB ALA 63 2HB ALA 63 -10.095 0.698 0.698 432 H ASN 64 H ASN 64 -12.581 -0.869 -0.869 433 HA ASN 64 HA ASN 64 -15.156 0.439 0.439 434 1HB ASN 64 2HB ASN 64 -16.001 -1.064 -1.064 435 2HB ASN 64 1HB ASN 64 -15.196 -1.935 -1.935 436 1HD2 ASN 64 2HD2 ASN 64 -13.778 -3.170 -3.170 437 2HD2 ASN 64 1HD2 ASN 64 -15.328 -3.154 -3.154 438 H GLU 65 H GLU 65 -16.379 0.908 0.908 439 HA GLU 65 HA GLU 65 -15.395 3.354 3.354 440 1HB GLU 65 2HB GLU 65 -17.208 3.135 3.135 441 2HB GLU 65 1HB GLU 65 -17.697 2.158 2.158 442 1HG GLU 65 2HG GLU 65 -18.048 0.533 0.533 443 2HG GLU 65 1HG GLU 65 -16.298 0.325 0.325 444 H ARG 66 H ARG 66 -14.412 0.109 0.109 445 HA ARG 66 HA ARG 66 -13.377 0.456 0.456 446 1HB ARG 66 2HB ARG 66 -13.445 -1.494 -1.494 447 2HB ARG 66 1HB ARG 66 -11.764 -1.304 -1.304 448 1HG ARG 66 2HG ARG 66 -14.128 -2.087 -2.087 449 2HG ARG 66 1HG ARG 66 -12.625 -2.971 -2.971 450 1HD ARG 66 2HD ARG 66 -11.795 -0.497 -0.497 451 2HD ARG 66 1HD ARG 66 -13.200 -0.954 -0.954 452 HE ARG 66 HE ARG 66 -11.306 -3.138 -3.138 453 1HH1 ARG 66 1HH2 ARG 66 -11.183 -0.318 -0.318 454 2HH1 ARG 66 2HH2 ARG 66 -10.960 -1.100 -1.100 455 1HH2 ARG 66 1HH1 ARG 66 -11.516 -4.287 -4.287 456 2HH2 ARG 66 2HH1 ARG 66 -11.149 -3.347 -3.347 457 H GLU 67 H GLU 67 -11.704 0.496 0.496 458 HA GLU 67 HA GLU 67 -9.175 1.366 1.366 459 1HB GLU 67 2HB GLU 67 -9.566 0.393 0.393 460 2HB GLU 67 1HB GLU 67 -10.715 1.658 1.658 461 1HG GLU 67 2HG GLU 67 -8.158 2.785 2.785 462 2HG GLU 67 1HG GLU 67 -7.969 1.643 1.643 463 H ILE 68 H ILE 68 -12.080 3.143 3.143 464 HA ILE 68 HA ILE 68 -10.788 5.733 5.733 465 HB ILE 68 HB ILE 68 -13.546 4.663 4.663 466 1HG1 ILE 68 2HG1 ILE 68 -14.009 5.620 5.620 467 2HG1 ILE 68 1HG1 ILE 68 -12.508 6.547 6.547 468 1HG2 ILE 68 1HG2 ILE 68 -13.257 6.737 6.737 469 2HG2 ILE 68 3HG2 ILE 68 -12.891 7.618 7.618 470 3HG2 ILE 68 2HG2 ILE 68 -14.479 6.882 6.882 471 1HD1 ILE 68 2HD1 ILE 68 -12.505 3.531 3.531 472 2HD1 ILE 68 1HD1 ILE 68 -12.516 4.377 4.377 473 3HD1 ILE 68 3HD1 ILE 68 -11.173 4.605 4.605 474 H GLY 69 H GLY 69 -11.389 3.735 3.735 475 1HA GLY 69 2HA GLY 69 -11.355 6.037 6.037 476 2HA GLY 69 1HA GLY 69 -11.530 4.352 4.352 477 H MET 70 H MET 70 -9.558 3.011 3.011 478 HA MET 70 HA MET 70 -7.364 4.106 4.106 479 1HB MET 70 2HB MET 70 -6.242 2.158 2.158 480 2HB MET 70 1HB MET 70 -6.762 1.925 1.925 481 1HG MET 70 2HG MET 70 -7.771 0.274 0.274 482 2HG MET 70 1HG MET 70 -9.017 1.305 1.305 483 1HE MET 70 1HE MET 70 -7.612 -0.416 -0.416 484 2HE MET 70 3HE MET 70 -9.034 -0.404 -0.404 485 3HE MET 70 2HE MET 70 -7.537 0.395 0.395 486 H LEU 71 H LEU 71 -7.945 4.032 4.032 487 HA LEU 71 HA LEU 71 -5.338 4.899 4.899 488 1HB LEU 71 2HB LEU 71 -7.342 3.862 3.862 489 2HB LEU 71 1HB LEU 71 -8.012 5.497 5.497 490 HG LEU 71 HG LEU 71 -5.615 4.400 4.400 491 1HD1 LEU 71 3HD1 LEU 71 -8.202 5.464 5.464 492 2HD1 LEU 71 2HD1 LEU 71 -6.975 6.526 6.526 493 3HD1 LEU 71 1HD1 LEU 71 -6.989 4.811 4.811 494 1HD2 LEU 71 2HD2 LEU 71 -6.004 7.296 7.296 495 2HD2 LEU 71 1HD2 LEU 71 -4.648 6.255 6.255 496 3HD2 LEU 71 3HD2 LEU 71 -4.875 6.754 6.754 497 H GLU 72 H GLU 72 -8.187 6.504 6.504 498 HA GLU 72 HA GLU 72 -7.111 9.209 9.209 499 1HB GLU 72 2HB GLU 72 -9.375 9.394 9.394 500 2HB GLU 72 1HB GLU 72 -9.658 7.900 7.900 501 1HG GLU 72 2HG GLU 72 -9.832 8.973 8.973 502 2HG GLU 72 1HG GLU 72 -8.738 10.284 10.284 503 H CYS 73 H CYS 73 -7.284 6.845 6.845 504 HA CYS 73 HA CYS 73 -7.104 8.396 8.396 505 1HB CYS 73 2HB CYS 73 -5.838 5.824 5.824 506 2HB CYS 73 1HB CYS 73 -5.466 6.454 6.454 507 HG CYS 73 HG CYS 73 -7.673 5.658 5.658 508 H VAL 74 H VAL 74 -4.508 7.522 7.522 509 HA VAL 74 HA VAL 74 -2.629 9.353 9.353 510 HB VAL 74 HB VAL 74 -1.202 8.476 8.476 511 1HG1 VAL 74 2HG1 VAL 74 -1.973 6.864 6.864 512 2HG1 VAL 74 1HG1 VAL 74 -0.617 6.463 6.463 513 3HG1 VAL 74 3HG1 VAL 74 -0.618 7.981 7.981 514 1HG2 VAL 74 3HG2 VAL 74 -3.429 7.341 7.341 515 2HG2 VAL 74 2HG2 VAL 74 -1.903 6.469 6.469 516 3HG2 VAL 74 1HG2 VAL 74 -3.013 6.106 6.106 517 H THR 75 H THR 75 -3.946 11.282 11.282 518 HA THR 75 HA THR 75 -4.766 12.192 12.192 519 HB THR 75 HB THR 75 -5.025 13.318 13.318 520 HG1 THR 75 1HG THR 75 -4.263 15.479 15.479 521 1HG2 THR 75 3HG2 THR 75 -2.193 13.074 13.074 522 2HG2 THR 75 2HG2 THR 75 -2.560 14.799 14.799 523 3HG2 THR 75 1HG2 THR 75 -3.222 13.767 13.767 524 H ALA 76 H ALA 76 -3.307 11.463 11.463 525 HA ALA 76 HA ALA 76 -0.669 12.890 12.890 526 1HB ALA 76 3HB ALA 76 -1.020 10.253 10.253 527 2HB ALA 76 2HB ALA 76 -1.320 10.438 10.438 528 3HB ALA 76 1HB ALA 76 0.226 10.938 10.938 529 H GLU 77 H GLU 77 -2.739 14.416 14.416 530 HA GLU 77 HA GLU 77 -3.832 15.335 15.335 531 1HB GLU 77 2HB GLU 77 -2.170 16.120 16.120 532 2HB GLU 77 1HB GLU 77 -1.395 16.061 16.061 533 1HG GLU 77 2HG GLU 77 -1.206 13.606 13.606 534 2HG GLU 77 1HG GLU 77 -0.263 15.001 15.001 535 H LEU 78 H LEU 78 -4.553 12.771 12.771 536 HA LEU 78 HA LEU 78 -4.370 10.667 10.667 537 1HB LEU 78 2HB LEU 78 -6.441 12.110 12.110 538 2HB LEU 78 1HB LEU 78 -6.960 11.875 11.875 539 HG LEU 78 HG LEU 78 -6.377 9.435 9.435 540 1HD1 LEU 78 1HD1 LEU 78 -5.339 10.427 10.427 541 2HD1 LEU 78 3HD1 LEU 78 -6.566 9.197 9.197 542 3HD1 LEU 78 2HD1 LEU 78 -5.175 8.819 8.819 543 1HD2 LEU 78 3HD2 LEU 78 -8.544 10.883 10.883 544 2HD2 LEU 78 2HD2 LEU 78 -8.637 9.580 9.580 545 3HD2 LEU 78 1HD2 LEU 78 -8.313 9.212 9.212 546 H LYS 79 H LYS 79 -4.077 10.062 10.062 547 HA LYS 79 HA LYS 79 -4.243 12.149 12.149 548 1HB LYS 79 2HB LYS 79 -3.127 9.363 9.363 549 2HB LYS 79 1HB LYS 79 -2.623 10.844 10.844 550 1HG LYS 79 2HG LYS 79 -2.254 11.114 11.114 551 2HG LYS 79 1HG LYS 79 -1.442 9.668 9.668 552 1HD LYS 79 2HD LYS 79 0.214 11.018 11.018 553 2HD LYS 79 1HD LYS 79 -0.885 11.564 11.564 554 1HE LYS 79 2HE LYS 79 -1.819 13.192 13.192 555 2HE LYS 79 1HE LYS 79 -0.312 12.848 12.848 556 1HZ LYS 79 1HZ LYS 79 -0.283 13.504 13.504 557 2HZ LYS 79 3HZ LYS 79 -0.289 14.738 14.738 558 3HZ LYS 79 2HZ LYS 79 0.983 13.612 13.612 559 HA PRO 80 HA PRO 80 -7.686 10.197 10.197 560 1HB PRO 80 2HB PRO 80 -6.923 9.921 9.921 561 2HB PRO 80 1HB PRO 80 -7.380 11.481 11.481 562 1HG PRO 80 2HG PRO 80 -4.670 10.344 10.344 563 2HG PRO 80 1HG PRO 80 -5.257 12.001 12.001 564 1HD PRO 80 2HD PRO 80 -3.766 11.272 11.272 565 2HD PRO 80 1HD PRO 80 -5.013 12.533 12.533 566 H ASN 81 H ASN 81 -4.533 8.767 8.767 567 HA ASN 81 HA ASN 81 -5.758 6.094 6.094 568 1HB ASN 81 2HB ASN 81 -3.402 5.570 5.570 569 2HB ASN 81 1HB ASN 81 -4.131 6.879 6.879 570 1HD2 ASN 81 2HD2 ASN 81 -0.727 7.975 7.975 571 2HD2 ASN 81 1HD2 ASN 81 -1.293 6.678 6.678 572 H SER 82 H SER 82 -4.510 7.910 7.910 573 HA SER 82 HA SER 82 -2.810 6.235 6.235 574 1HB SER 82 2HB SER 82 -5.195 7.860 7.860 575 2HB SER 82 1HB SER 82 -3.901 7.292 7.292 576 HG SER 82 HG SER 82 -2.633 8.394 8.394 577 H ARG 83 H ARG 83 -3.235 4.668 4.668 578 HA ARG 83 HA ARG 83 -5.817 3.478 3.478 579 1HB ARG 83 2HB ARG 83 -4.442 2.771 2.771 580 2HB ARG 83 1HB ARG 83 -4.409 1.369 1.369 581 1HG ARG 83 2HG ARG 83 -6.633 1.014 1.014 582 2HG ARG 83 1HG ARG 83 -7.007 2.727 2.727 583 1HD ARG 83 2HD ARG 83 -7.513 2.686 2.686 584 2HD ARG 83 1HD ARG 83 -5.765 2.585 2.585 585 HE ARG 83 HE ARG 83 -5.988 0.116 0.116 586 1HH1 ARG 83 1HH2 ARG 83 -8.018 -1.205 -1.205 587 2HH1 ARG 83 2HH2 ARG 83 -9.369 -1.072 -1.072 588 1HH2 ARG 83 1HH1 ARG 83 -8.096 1.682 1.682 589 2HH2 ARG 83 2HH1 ARG 83 -9.412 0.562 0.562 590 H LEU 84 H LEU 84 -5.523 1.386 1.386 591 HA LEU 84 HA LEU 84 -3.166 1.665 1.665 592 1HB LEU 84 2HB LEU 84 -5.897 0.872 0.872 593 2HB LEU 84 1HB LEU 84 -4.912 -0.518 -0.518 594 HG LEU 84 HG LEU 84 -4.744 2.269 2.269 595 1HD1 LEU 84 1HD1 LEU 84 -5.913 -0.332 -0.332 596 2HD1 LEU 84 3HD1 LEU 84 -5.037 0.496 0.496 597 3HD1 LEU 84 2HD1 LEU 84 -6.360 1.301 1.301 598 1HD2 LEU 84 2HD2 LEU 84 -2.892 -0.081 -0.081 599 2HD2 LEU 84 1HD2 LEU 84 -2.523 1.643 1.643 600 3HD2 LEU 84 3HD2 LEU 84 -3.068 0.849 0.849 601 H SER 85 H SER 85 -1.561 0.091 0.091 602 HA SER 85 HA SER 85 -0.664 -1.409 -1.409 603 1HB SER 85 2HB SER 85 0.774 -2.392 -2.392 604 2HB SER 85 1HB SER 85 0.284 -0.956 -0.956 605 HG SER 85 HG SER 85 0.183 -3.112 -3.112 606 H CYS 86 H CYS 86 -3.026 -2.372 -2.372 607 HA CYS 86 HA CYS 86 -3.284 -5.080 -5.080 608 1HB CYS 86 2HB CYS 86 -4.727 -3.875 -3.875 609 2HB CYS 86 1HB CYS 86 -4.391 -5.572 -5.572 610 H GLN 87 H GLN 87 -4.228 -2.900 -2.900 611 HA GLN 87 HA GLN 87 -7.111 -3.546 -3.546 612 1HB GLN 87 2HB GLN 87 -5.661 -0.983 -0.983 613 2HB GLN 87 1HB GLN 87 -6.995 -1.093 -1.093 614 1HG GLN 87 2HG GLN 87 -7.132 -1.563 -1.563 615 2HG GLN 87 1HG GLN 87 -7.863 -0.231 -0.231 616 1HE2 GLN 87 2HE2 GLN 87 -9.634 -3.928 -3.928 617 2HE2 GLN 87 1HE2 GLN 87 -8.036 -3.760 -3.760 618 H ILE 88 H ILE 88 -4.358 -2.541 -2.541 619 HA ILE 88 HA ILE 88 -5.818 -3.199 -3.199 620 HB ILE 88 HB ILE 88 -2.887 -2.831 -2.831 621 1HG1 ILE 88 2HG1 ILE 88 -4.750 -0.700 -0.700 622 2HG1 ILE 88 1HG1 ILE 88 -3.244 -1.279 -1.279 623 1HG2 ILE 88 3HG2 ILE 88 -4.474 -2.869 -2.869 624 2HG2 ILE 88 2HG2 ILE 88 -5.145 -1.349 -1.349 625 3HG2 ILE 88 1HG2 ILE 88 -3.460 -1.429 -1.429 626 1HD1 ILE 88 3HD1 ILE 88 -3.420 0.151 0.151 627 2HD1 ILE 88 2HD1 ILE 88 -3.000 0.939 0.939 628 3HD1 ILE 88 1HD1 ILE 88 -1.949 -0.311 -0.311 629 H ILE 89 H ILE 89 -5.342 -4.916 -4.916 630 HA ILE 89 HA ILE 89 -3.847 -7.185 -7.185 631 HB ILE 89 HB ILE 89 -6.215 -6.930 -6.930 632 1HG1 ILE 89 2HG1 ILE 89 -6.830 -6.873 -6.873 633 2HG1 ILE 89 1HG1 ILE 89 -7.173 -8.513 -8.513 634 1HG2 ILE 89 1HG2 ILE 89 -4.641 -8.654 -8.654 635 2HG2 ILE 89 3HG2 ILE 89 -4.723 -9.474 -9.474 636 3HG2 ILE 89 2HG2 ILE 89 -6.167 -9.343 -9.343 637 1HD1 ILE 89 1HD1 ILE 89 -4.824 -9.120 -9.120 638 2HD1 ILE 89 3HD1 ILE 89 -4.828 -7.558 -7.558 639 3HD1 ILE 89 2HD1 ILE 89 -6.029 -8.779 -8.779 640 H MET 90 H MET 90 -2.731 -8.604 -8.604 641 HA MET 90 HA MET 90 -1.585 -6.965 -6.965 642 1HB MET 90 2HB MET 90 -0.394 -8.204 -8.204 643 2HB MET 90 1HB MET 90 -0.278 -9.456 -9.456 644 1HG MET 90 2HG MET 90 1.704 -7.940 -7.940 645 2HG MET 90 1HG MET 90 0.836 -7.915 -7.915 646 1HE MET 90 3HE MET 90 0.995 -6.043 -6.043 647 2HE MET 90 2HE MET 90 -0.729 -5.870 -5.870 648 3HE MET 90 1HE MET 90 0.322 -4.461 -4.461 649 H THR 91 H THR 91 -3.308 -7.571 -7.571 650 HA THR 91 HA THR 91 -3.988 -10.324 -10.324 651 HB THR 91 HB THR 91 -4.827 -9.054 -9.054 652 HG1 THR 91 1HG THR 91 -5.097 -6.769 -6.769 653 1HG2 THR 91 2HG2 THR 91 -6.262 -9.816 -9.816 654 2HG2 THR 91 1HG2 THR 91 -5.841 -8.366 -8.366 655 3HG2 THR 91 3HG2 THR 91 -6.763 -8.230 -8.230 656 HA PRO 92 HA PRO 92 -0.726 -11.353 -11.353 657 1HB PRO 92 2HB PRO 92 -2.005 -12.983 -12.983 658 2HB PRO 92 1HB PRO 92 -1.637 -13.468 -13.468 659 1HG PRO 92 2HG PRO 92 -4.207 -12.635 -12.635 660 2HG PRO 92 1HG PRO 92 -3.883 -13.753 -13.753 661 1HD PRO 92 2HD PRO 92 -4.774 -11.125 -11.125 662 2HD PRO 92 1HD PRO 92 -4.063 -12.113 -12.113 663 H GLU 93 H GLU 93 -3.158 -9.293 -9.293 664 HA GLU 93 HA GLU 93 -2.115 -8.937 -8.937 665 1HB GLU 93 2HB GLU 93 -4.270 -7.855 -7.855 666 2HB GLU 93 1HB GLU 93 -4.555 -9.412 -9.412 667 1HG GLU 93 2HG GLU 93 -4.693 -8.247 -8.247 668 2HG GLU 93 1HG GLU 93 -4.524 -6.705 -6.705 669 H LEU 94 H LEU 94 -2.382 -7.521 -7.521 670 HA LEU 94 HA LEU 94 -1.488 -4.850 -4.850 671 1HB LEU 94 2HB LEU 94 -2.437 -5.783 -5.783 672 2HB LEU 94 1HB LEU 94 -2.180 -4.113 -4.113 673 HG LEU 94 HG LEU 94 -4.308 -6.040 -6.040 674 1HD1 LEU 94 3HD1 LEU 94 -4.245 -3.199 -3.199 675 2HD1 LEU 94 2HD1 LEU 94 -5.702 -3.963 -3.963 676 3HD1 LEU 94 1HD1 LEU 94 -4.916 -4.618 -4.618 677 1HD2 LEU 94 3HD2 LEU 94 -3.181 -5.099 -5.099 678 2HD2 LEU 94 2HD2 LEU 94 -4.839 -4.508 -4.508 679 3HD2 LEU 94 1HD2 LEU 94 -3.481 -3.474 -3.474 680 H ASP 95 H ASP 95 0.571 -6.358 -6.358 681 HA ASP 95 HA ASP 95 2.106 -6.504 -6.504 682 1HB ASP 95 2HB ASP 95 2.709 -8.482 -8.482 683 2HB ASP 95 1HB ASP 95 1.829 -8.088 -8.088 684 H GLY 96 H GLY 96 4.109 -5.541 -5.541 685 1HA GLY 96 2HA GLY 96 5.970 -4.121 -4.121 686 2HA GLY 96 1HA GLY 96 4.897 -3.516 -3.516 687 H ILE 97 H ILE 97 3.592 -4.101 -4.101 688 HA ILE 97 HA ILE 97 2.494 -1.515 -1.515 689 HB ILE 97 HB ILE 97 2.063 -3.952 -3.952 690 1HG1 ILE 97 2HG1 ILE 97 0.319 -2.361 -2.361 691 2HG1 ILE 97 1HG1 ILE 97 0.383 -2.785 -2.785 692 1HG2 ILE 97 2HG2 ILE 97 3.960 -3.414 -3.414 693 2HG2 ILE 97 1HG2 ILE 97 2.755 -2.376 -2.376 694 3HG2 ILE 97 3HG2 ILE 97 2.459 -4.102 -4.102 695 1HD1 ILE 97 3HD1 ILE 97 1.828 -0.397 -0.397 696 2HD1 ILE 97 2HD1 ILE 97 0.217 -0.308 -0.308 697 3HD1 ILE 97 1HD1 ILE 97 1.585 -0.777 -0.777 698 H VAL 98 H VAL 98 3.338 0.298 0.298 699 HA VAL 98 HA VAL 98 5.868 0.420 0.420 700 HB VAL 98 HB VAL 98 4.343 2.680 2.680 701 1HG1 VAL 98 3HG1 VAL 98 7.186 2.172 2.172 702 2HG1 VAL 98 2HG1 VAL 98 6.819 3.398 3.398 703 3HG1 VAL 98 1HG1 VAL 98 6.131 3.527 3.527 704 1HG2 VAL 98 1HG2 VAL 98 6.325 0.752 0.752 705 2HG2 VAL 98 3HG2 VAL 98 4.613 0.891 0.891 706 3HG2 VAL 98 2HG2 VAL 98 5.714 2.221 2.221 707 H VAL 99 H VAL 99 5.510 0.629 0.629 708 HA VAL 99 HA VAL 99 2.981 1.955 1.955 709 HB VAL 99 HB VAL 99 4.908 0.718 0.718 710 1HG1 VAL 99 2HG1 VAL 99 2.032 1.245 1.245 711 2HG1 VAL 99 1HG1 VAL 99 2.424 -0.330 -0.330 712 3HG1 VAL 99 3HG1 VAL 99 3.068 1.148 1.148 713 1HG2 VAL 99 3HG2 VAL 99 3.775 -0.693 -0.693 714 2HG2 VAL 99 2HG2 VAL 99 5.104 -1.131 -1.131 715 3HG2 VAL 99 1HG2 VAL 99 3.440 -1.449 -1.449 716 H ASP 100 H ASP 100 3.464 2.887 2.887 717 HA ASP 100 HA ASP 100 6.001 4.231 4.231 718 1HB ASP 100 2HB ASP 100 3.528 5.714 5.714 719 2HB ASP 100 1HB ASP 100 4.846 6.530 6.530 720 H VAL 101 H VAL 101 6.254 4.818 4.818 721 HA VAL 101 HA VAL 101 3.934 4.187 4.187 722 HB VAL 101 HB VAL 101 6.780 4.821 4.821 723 1HG1 VAL 101 3HG1 VAL 101 4.738 4.651 4.651 724 2HG1 VAL 101 2HG1 VAL 101 4.853 2.916 2.916 725 3HG1 VAL 101 1HG1 VAL 101 6.219 3.782 3.782 726 1HG2 VAL 101 2HG2 VAL 101 5.953 2.696 2.696 727 2HG2 VAL 101 1HG2 VAL 101 7.484 2.821 2.821 728 3HG2 VAL 101 3HG2 VAL 101 6.115 1.993 1.993 729 HA PRO 102 HA PRO 102 3.371 8.651 8.651 730 1HB PRO 102 2HB PRO 102 0.996 8.543 8.543 731 2HB PRO 102 1HB PRO 102 1.129 8.236 8.236 732 1HG PRO 102 2HG PRO 102 0.980 6.282 6.282 733 2HG PRO 102 1HG PRO 102 0.152 6.263 6.263 734 1HD PRO 102 2HD PRO 102 2.332 4.762 4.762 735 2HD PRO 102 1HD PRO 102 2.010 5.484 5.484 736 H ASP 103 H ASP 103 5.125 9.048 9.048 737 HA ASP 103 HA ASP 103 4.347 8.777 8.777 738 1HB ASP 103 2HB ASP 103 6.588 7.969 7.969 739 2HB ASP 103 1HB ASP 103 7.123 9.463 9.463 740 H ARG 104 H ARG 104 3.421 10.714 10.714 741 HA ARG 104 HA ARG 104 4.742 13.236 13.236 742 1HB ARG 104 2HB ARG 104 2.168 13.606 13.606 743 2HB ARG 104 1HB ARG 104 2.672 14.072 14.072 744 1HG ARG 104 2HG ARG 104 1.113 12.559 12.559 745 2HG ARG 104 1HG ARG 104 2.357 11.367 11.367 746 1HD ARG 104 2HD ARG 104 0.026 12.189 12.189 747 2HD ARG 104 1HD ARG 104 0.491 10.561 10.561 748 HE ARG 104 HE ARG 104 2.389 12.071 12.071 749 1HH1 ARG 104 1HH2 ARG 104 1.987 9.028 9.028 750 2HH1 ARG 104 2HH2 ARG 104 1.691 8.329 8.329 751 1HH2 ARG 104 1HH1 ARG 104 1.220 11.382 11.382 752 2HH2 ARG 104 2HH1 ARG 104 1.256 9.661 9.661 753 H GLN 105 H GLN 105 5.511 14.677 14.677 754 HA GLN 105 HA GLN 105 5.234 13.822 13.822 755 1HB GLN 105 2HB GLN 105 7.524 15.281 15.281 756 2HB GLN 105 1HB GLN 105 7.518 14.606 14.606 757 1HG GLN 105 2HG GLN 105 7.506 12.379 12.379 758 2HG GLN 105 1HG GLN 105 7.009 12.871 12.871 759 1HE2 GLN 105 2HE2 GLN 105 10.397 14.303 14.303 760 2HE2 GLN 105 1HE2 GLN 105 8.809 14.903 14.903 761 H TRP 106 H TRP 106 4.201 16.107 16.107 762 HA TRP 106 HA TRP 106 4.713 18.593 18.593 763 1HB TRP 106 2HB TRP 106 3.016 17.496 17.496 764 2HB TRP 106 1HB TRP 106 2.345 18.916 18.916 765 HD1 TRP 106 HD TRP 106 4.984 17.849 17.849 766 HE1 TRP 106 1HE TRP 106 6.346 19.897 19.897 767 HE3 TRP 106 3HE TRP 106 3.297 21.335 21.335 768 HZ2 TRP 106 2HZ TRP 106 6.675 22.653 22.653 769 HZ3 TRP 106 3HZ TRP 106 4.149 23.662 23.662 770 HH2 TRP 106 HH TRP 106 5.835 24.324 24.324 Start of MODEL 16 1 1H SER 1 3HT SER 1 2.249 -9.644 -9.644 2 2H SER 1 2HT SER 1 1.005 -9.229 -9.229 3 3H SER 1 1HT SER 1 1.445 -10.851 -10.851 4 HA SER 1 HA SER 1 3.079 -10.722 -10.722 5 1HB SER 1 2HB SER 1 1.142 -8.622 -8.622 6 2HB SER 1 1HB SER 1 2.699 -8.106 -8.106 7 HG SER 1 HG SER 1 0.982 -9.887 -9.887 8 H LYS 2 H LYS 2 4.487 -8.440 -8.440 9 HA LYS 2 HA LYS 2 6.594 -8.219 -8.219 10 1HB LYS 2 2HB LYS 2 6.476 -8.120 -8.120 11 2HB LYS 2 1HB LYS 2 6.347 -6.388 -6.388 12 1HG LYS 2 2HG LYS 2 8.394 -7.415 -7.415 13 2HG LYS 2 1HG LYS 2 8.693 -8.031 -8.031 14 1HD LYS 2 2HD LYS 2 8.174 -5.551 -5.551 15 2HD LYS 2 1HD LYS 2 8.592 -5.189 -5.189 16 1HE LYS 2 2HE LYS 2 10.502 -7.038 -7.038 17 2HE LYS 2 1HE LYS 2 10.422 -5.475 -5.475 18 1HZ LYS 2 2HZ LYS 2 10.405 -4.478 -4.478 19 2HZ LYS 2 1HZ LYS 2 10.951 -5.994 -5.994 20 3HZ LYS 2 3HZ LYS 2 11.884 -5.099 -5.099 21 H VAL 3 H VAL 3 6.078 -7.001 -7.001 22 HA VAL 3 HA VAL 3 4.807 -4.328 -4.328 23 HB VAL 3 HB VAL 3 4.827 -6.319 -6.319 24 1HG1 VAL 3 3HG1 VAL 3 4.381 -3.329 -3.329 25 2HG1 VAL 3 2HG1 VAL 3 3.629 -4.457 -4.457 26 3HG1 VAL 3 1HG1 VAL 3 5.386 -4.358 -4.358 27 1HG2 VAL 3 3HG2 VAL 3 3.044 -5.614 -5.614 28 2HG2 VAL 3 2HG2 VAL 3 2.639 -6.514 -6.514 29 3HG2 VAL 3 1HG2 VAL 3 2.423 -4.764 -4.764 30 H VAL 4 H VAL 4 5.802 -2.489 -2.489 31 HA VAL 4 HA VAL 4 8.488 -2.881 -2.881 32 HB VAL 4 HB VAL 4 7.642 -1.262 -1.262 33 1HG1 VAL 4 2HG1 VAL 4 8.718 0.324 0.324 34 2HG1 VAL 4 1HG1 VAL 4 10.104 -0.760 -0.760 35 3HG1 VAL 4 3HG1 VAL 4 9.737 0.023 0.023 36 1HG2 VAL 4 3HG2 VAL 4 9.932 -3.125 -3.125 37 2HG2 VAL 4 2HG2 VAL 4 8.619 -3.403 -3.403 38 3HG2 VAL 4 1HG2 VAL 4 9.848 -2.186 -2.186 39 H TYR 5 H TYR 5 8.755 -1.655 -1.655 40 HA TYR 5 HA TYR 5 6.636 0.363 0.363 41 1HB TYR 5 2HB TYR 5 8.505 -1.174 -1.174 42 2HB TYR 5 1HB TYR 5 7.201 -0.139 -0.139 43 HD1 TYR 5 2HD TYR 5 4.907 -0.603 -0.603 44 HD2 TYR 5 1HD TYR 5 8.074 -3.501 -3.501 45 HE1 TYR 5 2HE TYR 5 3.263 -2.409 -2.409 46 HE2 TYR 5 1HE TYR 5 6.428 -5.279 -5.279 47 HH TYR 5 HH TYR 5 4.254 -5.771 -5.771 48 H VAL 6 H VAL 6 7.202 2.402 2.402 49 HA VAL 6 HA VAL 6 10.115 3.116 3.116 50 HB VAL 6 HB VAL 6 7.872 5.059 5.059 51 1HG1 VAL 6 2HG1 VAL 6 10.363 5.659 5.659 52 2HG1 VAL 6 1HG1 VAL 6 10.581 4.885 4.885 53 3HG1 VAL 6 3HG1 VAL 6 9.528 6.291 6.291 54 1HG2 VAL 6 3HG2 VAL 6 8.508 2.740 2.740 55 2HG2 VAL 6 2HG2 VAL 6 7.179 3.888 3.888 56 3HG2 VAL 6 1HG2 VAL 6 8.737 4.246 4.246 57 H SER 7 H SER 7 10.846 3.653 3.653 58 HA SER 7 HA SER 7 9.005 4.322 4.322 59 1HB SER 7 2HB SER 7 11.087 4.357 4.357 60 2HB SER 7 1HB SER 7 11.098 2.955 2.955 61 HG SER 7 HG SER 7 12.286 5.473 5.473 62 H HIS 8 H HIS 8 8.450 6.370 6.370 63 HA HIS 8 HA HIS 8 8.666 8.633 8.633 64 1HB HIS 8 2HB HIS 8 8.685 9.795 9.795 65 2HB HIS 8 1HB HIS 8 7.324 8.797 8.797 66 HD1 HIS 8 1HD HIS 8 6.679 7.185 7.185 67 HD2 HIS 8 2HD HIS 8 10.750 7.980 7.980 68 HE1 HIS 8 1HE HIS 8 7.568 5.774 5.774 69 H ASP 9 H ASP 9 11.283 7.268 7.268 70 HA ASP 9 HA ASP 9 12.972 9.649 9.649 71 1HB ASP 9 2HB ASP 9 14.542 8.248 8.248 72 2HB ASP 9 1HB ASP 9 12.948 7.798 7.798 73 H GLY 10 H GLY 10 12.048 7.406 7.406 74 1HA GLY 10 2HA GLY 10 12.918 7.713 7.713 75 2HA GLY 10 1HA GLY 10 14.518 7.929 7.929 76 H THR 11 H THR 11 14.242 5.672 5.672 77 HA THR 11 HA THR 11 15.382 3.598 3.598 78 HB THR 11 HB THR 11 14.368 4.129 4.129 79 HG1 THR 11 1HG THR 11 16.444 3.554 3.554 80 1HG2 THR 11 1HG2 THR 11 12.570 2.458 2.458 81 2HG2 THR 11 3HG2 THR 11 13.863 1.261 1.261 82 3HG2 THR 11 2HG2 THR 11 13.460 2.050 2.050 83 H ARG 12 H ARG 12 14.583 1.889 1.889 84 HA ARG 12 HA ARG 12 11.619 1.775 1.775 85 1HB ARG 12 2HB ARG 12 13.953 1.533 1.533 86 2HB ARG 12 1HB ARG 12 12.281 1.188 1.188 87 1HG ARG 12 2HG ARG 12 11.875 3.592 3.592 88 2HG ARG 12 1HG ARG 12 13.572 3.808 3.808 89 1HD ARG 12 2HD ARG 12 12.762 2.766 2.766 90 2HD ARG 12 1HD ARG 12 11.202 3.428 3.428 91 HE ARG 12 HE ARG 12 13.210 5.389 5.389 92 1HH1 ARG 12 1HH2 ARG 12 10.544 5.450 5.450 93 2HH1 ARG 12 2HH2 ARG 12 11.154 6.029 6.029 94 1HH2 ARG 12 1HH1 ARG 12 14.472 5.418 5.418 95 2HH2 ARG 12 2HH1 ARG 12 13.377 6.011 6.011 96 H ARG 13 H ARG 13 10.827 -0.185 -0.185 97 HA ARG 13 HA ARG 13 12.641 -2.556 -2.556 98 1HB ARG 13 2HB ARG 13 11.037 -1.600 -1.600 99 2HB ARG 13 1HB ARG 13 9.795 -2.464 -2.464 100 1HG ARG 13 2HG ARG 13 10.453 -4.421 -4.421 101 2HG ARG 13 1HG ARG 13 12.099 -4.159 -4.159 102 1HD ARG 13 2HD ARG 13 11.787 -4.408 -4.408 103 2HD ARG 13 1HD ARG 13 12.729 -3.010 -3.010 104 HE ARG 13 HE ARG 13 9.908 -2.381 -2.381 105 1HH1 ARG 13 1HH2 ARG 13 12.223 -3.407 -3.407 106 2HH1 ARG 13 2HH2 ARG 13 11.946 -2.102 -2.102 107 1HH2 ARG 13 1HH1 ARG 13 9.765 -0.427 -0.427 108 2HH2 ARG 13 2HH1 ARG 13 10.555 -0.415 -0.415 109 H GLU 14 H GLU 14 11.934 -4.544 -4.544 110 HA GLU 14 HA GLU 14 9.713 -4.152 -4.152 111 1HB GLU 14 2HB GLU 14 12.341 -5.595 -5.595 112 2HB GLU 14 1HB GLU 14 11.115 -5.188 -5.188 113 1HG GLU 14 2HG GLU 14 11.661 -2.739 -2.739 114 2HG GLU 14 1HG GLU 14 13.244 -3.516 -3.516 115 H LEU 15 H LEU 15 8.278 -5.830 -5.830 116 HA LEU 15 HA LEU 15 9.023 -8.344 -8.344 117 1HB LEU 15 2HB LEU 15 6.562 -6.623 -6.623 118 2HB LEU 15 1HB LEU 15 6.411 -8.334 -8.334 119 HG LEU 15 HG LEU 15 7.905 -6.208 -6.208 120 1HD1 LEU 15 3HD1 LEU 15 5.367 -7.314 -7.314 121 2HD1 LEU 15 2HD1 LEU 15 6.329 -8.258 -8.258 122 3HD1 LEU 15 1HD1 LEU 15 6.243 -6.505 -6.505 123 1HD2 LEU 15 3HD2 LEU 15 8.012 -9.191 -9.191 124 2HD2 LEU 15 2HD2 LEU 15 9.364 -8.172 -8.172 125 3HD2 LEU 15 1HD2 LEU 15 8.709 -7.971 -7.971 126 H ASP 16 H ASP 16 8.438 -10.265 -10.265 127 HA ASP 16 HA ASP 16 7.399 -10.114 -10.114 128 1HB ASP 16 2HB ASP 16 9.527 -11.309 -11.309 129 2HB ASP 16 1HB ASP 16 8.791 -12.287 -12.287 130 H VAL 17 H VAL 17 5.217 -9.726 -9.726 131 HA VAL 17 HA VAL 17 3.973 -11.788 -11.788 132 HB VAL 17 HB VAL 17 3.221 -9.046 -9.046 133 1HG1 VAL 17 1HG1 VAL 17 1.571 -10.960 -10.960 134 2HG1 VAL 17 3HG1 VAL 17 1.168 -9.267 -9.267 135 3HG1 VAL 17 2HG1 VAL 17 1.182 -10.406 -10.406 136 1HG2 VAL 17 1HG2 VAL 17 4.535 -10.081 -10.081 137 2HG2 VAL 17 3HG2 VAL 17 4.214 -8.401 -8.401 138 3HG2 VAL 17 2HG2 VAL 17 3.017 -9.323 -9.323 139 H ALA 18 H ALA 18 1.643 -12.389 -12.389 140 HA ALA 18 HA ALA 18 1.634 -12.893 -12.893 141 1HB ALA 18 2HB ALA 18 2.236 -14.855 -14.855 142 2HB ALA 18 1HB ALA 18 0.676 -14.708 -14.708 143 3HB ALA 18 3HB ALA 18 0.743 -15.106 -15.106 144 H ASP 19 H ASP 19 -0.929 -14.346 -14.346 145 HA ASP 19 HA ASP 19 -2.717 -11.994 -11.994 146 1HB ASP 19 2HB ASP 19 -4.016 -13.342 -13.342 147 2HB ASP 19 1HB ASP 19 -2.383 -13.921 -13.921 148 H GLY 20 H GLY 20 -3.886 -11.557 -11.557 149 1HA GLY 20 2HA GLY 20 -5.632 -12.331 -12.331 150 2HA GLY 20 1HA GLY 20 -4.718 -13.830 -13.830 151 H VAL 21 H VAL 21 -2.254 -11.833 -11.833 152 HA VAL 21 HA VAL 21 -2.129 -11.633 -11.633 153 HB VAL 21 HB VAL 21 -0.236 -11.166 -11.166 154 1HG1 VAL 21 1HG1 VAL 21 0.287 -10.737 -10.737 155 2HG1 VAL 21 3HG1 VAL 21 1.535 -10.774 -10.774 156 3HG1 VAL 21 2HG1 VAL 21 0.316 -9.500 -9.500 157 1HG2 VAL 21 3HG2 VAL 21 -0.881 -13.373 -13.373 158 2HG2 VAL 21 2HG2 VAL 21 0.146 -13.369 -13.369 159 3HG2 VAL 21 1HG2 VAL 21 0.826 -12.940 -12.940 160 H SER 22 H SER 22 -1.191 -9.604 -9.604 161 HA SER 22 HA SER 22 -2.356 -7.148 -7.148 162 1HB SER 22 2HB SER 22 -2.077 -6.825 -6.825 163 2HB SER 22 1HB SER 22 -3.578 -7.041 -7.041 164 HG SER 22 HG SER 22 -3.683 -8.855 -8.855 165 H LEU 23 H LEU 23 -0.956 -5.178 -5.178 166 HA LEU 23 HA LEU 23 1.831 -5.654 -5.654 167 1HB LEU 23 2HB LEU 23 0.615 -3.146 -3.146 168 2HB LEU 23 1HB LEU 23 2.093 -3.310 -3.310 169 HG LEU 23 HG LEU 23 -0.691 -3.329 -3.329 170 1HD1 LEU 23 1HD1 LEU 23 1.052 -1.340 -1.340 171 2HD1 LEU 23 3HD1 LEU 23 1.694 -2.089 -2.089 172 3HD1 LEU 23 2HD1 LEU 23 0.023 -1.528 -1.528 173 1HD2 LEU 23 3HD2 LEU 23 1.777 -4.594 -4.594 174 2HD2 LEU 23 2HD2 LEU 23 0.180 -5.318 -5.318 175 3HD2 LEU 23 1HD2 LEU 23 0.430 -4.047 -4.047 176 H MET 24 H MET 24 -0.342 -5.581 -5.581 177 HA MET 24 HA MET 24 1.621 -5.230 -5.230 178 1HB MET 24 2HB MET 24 -0.503 -4.734 -4.734 179 2HB MET 24 1HB MET 24 -1.237 -6.000 -6.000 180 1HG MET 24 2HG MET 24 -1.135 -7.480 -7.480 181 2HG MET 24 1HG MET 24 0.535 -7.056 -7.056 182 1HE MET 24 3HE MET 24 -0.686 -7.922 -7.922 183 2HE MET 24 2HE MET 24 0.439 -6.785 -6.785 184 3HE MET 24 1HE MET 24 -1.245 -6.820 -6.820 185 H GLN 25 H GLN 25 -0.330 -8.024 -8.024 186 HA GLN 25 HA GLN 25 0.777 -10.019 -10.019 187 1HB GLN 25 2HB GLN 25 -1.052 -10.159 -10.159 188 2HB GLN 25 1HB GLN 25 0.043 -9.889 -9.889 189 1HG GLN 25 2HG GLN 25 0.956 -12.040 -12.040 190 2HG GLN 25 1HG GLN 25 0.448 -12.237 -12.237 191 1HE2 GLN 25 2HE2 GLN 25 -2.952 -12.179 -12.179 192 2HE2 GLN 25 1HE2 GLN 25 -2.029 -10.776 -10.776 193 H ALA 26 H ALA 26 2.079 -9.645 -9.645 194 HA ALA 26 HA ALA 26 4.401 -11.177 -11.177 195 1HB ALA 26 3HB ALA 26 3.839 -8.744 -8.744 196 2HB ALA 26 2HB ALA 26 5.417 -9.562 -9.562 197 3HB ALA 26 1HB ALA 26 3.931 -10.440 -10.440 198 H ALA 27 H ALA 27 4.205 -7.606 -7.606 199 HA ALA 27 HA ALA 27 6.706 -6.973 -6.973 200 1HB ALA 27 1HB ALA 27 3.897 -5.932 -5.932 201 2HB ALA 27 3HB ALA 27 5.256 -5.123 -5.123 202 3HB ALA 27 2HB ALA 27 5.186 -5.250 -5.250 203 H VAL 28 H VAL 28 3.741 -7.502 -7.502 204 HA VAL 28 HA VAL 28 4.415 -7.538 -7.538 205 HB VAL 28 HB VAL 28 2.637 -8.896 -8.896 206 1HG1 VAL 28 1HG1 VAL 28 3.605 -10.440 -10.440 207 2HG1 VAL 28 3HG1 VAL 28 1.886 -10.506 -10.506 208 3HG1 VAL 28 2HG1 VAL 28 3.077 -11.029 -11.029 209 1HG2 VAL 28 1HG2 VAL 28 2.142 -6.983 -6.983 210 2HG2 VAL 28 3HG2 VAL 28 0.962 -8.295 -8.295 211 3HG2 VAL 28 2HG2 VAL 28 2.115 -8.177 -8.177 212 H SER 29 H SER 29 4.643 -10.549 -10.549 213 HA SER 29 HA SER 29 6.274 -12.032 -12.032 214 1HB SER 29 2HB SER 29 6.853 -12.651 -12.651 215 2HB SER 29 1HB SER 29 5.793 -13.527 -13.527 216 HG SER 29 HG SER 29 5.128 -12.096 -12.096 217 H ASN 30 H ASN 30 7.121 -10.120 -10.120 218 HA ASN 30 HA ASN 30 9.937 -10.486 -10.486 219 1HB ASN 30 2HB ASN 30 7.892 -8.762 -8.762 220 2HB ASN 30 1HB ASN 30 9.452 -7.962 -7.962 221 1HD2 ASN 30 2HD2 ASN 30 8.978 -10.948 -10.948 222 2HD2 ASN 30 1HD2 ASN 30 7.710 -10.486 -10.486 223 H GLY 31 H GLY 31 7.922 -8.976 -8.976 224 1HA GLY 31 2HA GLY 31 8.670 -8.002 -8.002 225 2HA GLY 31 1HA GLY 31 10.266 -7.771 -7.771 226 H ILE 32 H ILE 32 8.745 -6.612 -6.612 227 HA ILE 32 HA ILE 32 9.184 -3.907 -3.907 228 HB ILE 32 HB ILE 32 6.896 -5.398 -5.398 229 1HG1 ILE 32 2HG1 ILE 32 9.519 -4.337 -4.337 230 2HG1 ILE 32 1HG1 ILE 32 9.147 -6.032 -6.032 231 1HG2 ILE 32 3HG2 ILE 32 7.799 -2.522 -2.522 232 2HG2 ILE 32 2HG2 ILE 32 6.825 -3.345 -3.345 233 3HG2 ILE 32 1HG2 ILE 32 6.185 -3.107 -3.107 234 1HD1 ILE 32 1HD1 ILE 32 7.022 -5.008 -5.008 235 2HD1 ILE 32 3HD1 ILE 32 8.527 -4.487 -4.487 236 3HD1 ILE 32 2HD1 ILE 32 8.236 -6.201 -6.201 237 H TYR 33 H TYR 33 6.338 -5.677 -5.677 238 HA TYR 33 HA TYR 33 5.423 -3.144 -3.144 239 1HB TYR 33 2HB TYR 33 4.059 -5.710 -5.710 240 2HB TYR 33 1HB TYR 33 3.250 -4.434 -4.434 241 HD1 TYR 33 2HD TYR 33 4.350 -1.995 -1.995 242 HD2 TYR 33 1HD TYR 33 3.275 -5.592 -5.592 243 HE1 TYR 33 2HE TYR 33 4.015 -0.694 -0.694 244 HE2 TYR 33 1HE TYR 33 2.962 -4.310 -4.310 245 HH TYR 33 HH TYR 33 4.077 -1.164 -1.164 246 H ASP 34 H ASP 34 7.396 -4.017 -4.017 247 HA ASP 34 HA ASP 34 6.652 -6.024 -6.024 248 1HB ASP 34 2HB ASP 34 8.565 -5.147 -5.147 249 2HB ASP 34 1HB ASP 34 8.960 -5.054 -5.054 250 H ILE 35 H ILE 35 5.524 -2.919 -2.919 251 HA ILE 35 HA ILE 35 4.741 -2.047 -2.047 252 HB ILE 35 HB ILE 35 5.272 -0.465 -0.465 253 1HG1 ILE 35 2HG1 ILE 35 2.307 -0.196 -0.196 254 2HG1 ILE 35 1HG1 ILE 35 3.102 -0.264 -0.264 255 1HG2 ILE 35 1HG2 ILE 35 3.899 -2.356 -2.356 256 2HG2 ILE 35 3HG2 ILE 35 3.018 -0.834 -0.834 257 3HG2 ILE 35 2HG2 ILE 35 4.734 -0.894 -0.894 258 1HD1 ILE 35 1HD1 ILE 35 4.749 1.463 1.463 259 2HD1 ILE 35 3HD1 ILE 35 3.215 1.840 1.840 260 3HD1 ILE 35 2HD1 ILE 35 3.368 1.979 1.979 261 H VAL 36 H VAL 36 3.205 -3.362 -3.362 262 HA VAL 36 HA VAL 36 1.035 -4.604 -4.604 263 HB VAL 36 HB VAL 36 1.744 -4.509 -4.509 264 1HG1 VAL 36 2HG1 VAL 36 -0.483 -5.812 -5.812 265 2HG1 VAL 36 1HG1 VAL 36 0.223 -6.676 -6.676 266 3HG1 VAL 36 3HG1 VAL 36 -0.503 -5.087 -5.087 267 1HG2 VAL 36 3HG2 VAL 36 2.493 -6.226 -6.226 268 2HG2 VAL 36 2HG2 VAL 36 3.412 -5.834 -5.834 269 3HG2 VAL 36 1HG2 VAL 36 2.147 -7.061 -7.061 270 H GLY 37 H GLY 37 -0.998 -3.724 -3.724 271 1HA GLY 37 2HA GLY 37 -1.689 -1.398 -1.398 272 2HA GLY 37 1HA GLY 37 -2.150 -1.478 -1.478 273 H ASP 38 H ASP 38 -4.365 -1.655 -1.655 274 HA ASP 38 HA ASP 38 -5.514 -3.785 -3.785 275 1HB ASP 38 2HB ASP 38 -7.638 -2.211 -2.211 276 2HB ASP 38 1HB ASP 38 -6.666 -1.955 -1.955 277 H CYS 39 H CYS 39 -4.387 -4.330 -4.330 278 HA CYS 39 HA CYS 39 -6.774 -4.919 -4.919 279 1HB CYS 39 2HB CYS 39 -4.919 -5.276 -5.276 280 2HB CYS 39 1HB CYS 39 -5.161 -3.630 -3.630 281 H GLY 40 H GLY 40 -3.881 -6.316 -6.316 282 1HA GLY 40 2HA GLY 40 -3.218 -8.570 -8.570 283 2HA GLY 40 1HA GLY 40 -4.933 -8.838 -8.838 284 H GLY 41 H GLY 41 -3.767 -7.545 -7.545 285 1HA GLY 41 2HA GLY 41 -3.619 -8.544 -8.544 286 2HA GLY 41 1HA GLY 41 -3.905 -10.118 -10.118 287 H SER 42 H SER 42 -5.976 -7.320 -7.320 288 HA SER 42 HA SER 42 -8.077 -8.638 -8.638 289 1HB SER 42 2HB SER 42 -8.483 -7.363 -7.363 290 2HB SER 42 1HB SER 42 -9.646 -8.326 -8.326 291 HG SER 42 HG SER 42 -7.328 -9.111 -9.111 292 H ALA 43 H ALA 43 -6.273 -5.943 -5.943 293 HA ALA 43 HA ALA 43 -6.522 -3.840 -3.840 294 1HB ALA 43 2HB ALA 43 -8.318 -5.573 -5.573 295 2HB ALA 43 1HB ALA 43 -9.321 -4.202 -4.202 296 3HB ALA 43 3HB ALA 43 -7.926 -3.957 -3.957 297 H SER 44 H SER 44 -6.948 -3.906 -3.906 298 HA SER 44 HA SER 44 -9.032 -1.788 -1.788 299 1HB SER 44 2HB SER 44 -8.572 -4.345 -4.345 300 2HB SER 44 1HB SER 44 -9.191 -2.947 -2.947 301 HG SER 44 HG SER 44 -10.898 -2.851 -2.851 302 H CYS 45 H CYS 45 -6.270 -1.338 -1.338 303 HA CYS 45 HA CYS 45 -5.196 -0.807 -0.807 304 1HB CYS 45 2HB CYS 45 -2.991 -0.557 -0.557 305 2HB CYS 45 1HB CYS 45 -3.575 -2.095 -2.095 306 H ALA 46 H ALA 46 -4.032 1.034 1.034 307 HA ALA 46 HA ALA 46 -4.696 3.462 3.462 308 1HB ALA 46 2HB ALA 46 -4.335 2.887 2.887 309 2HB ALA 46 1HB ALA 46 -4.248 4.535 4.535 310 3HB ALA 46 3HB ALA 46 -5.730 3.598 3.598 311 H THR 47 H THR 47 -2.218 1.330 1.330 312 HA THR 47 HA THR 47 -0.101 3.441 3.441 313 HB THR 47 HB THR 47 1.257 1.818 1.818 314 HG1 THR 47 1HG THR 47 -0.841 -0.042 -0.042 315 1HG2 THR 47 3HG2 THR 47 -0.580 2.948 2.948 316 2HG2 THR 47 2HG2 THR 47 -1.548 1.492 1.492 317 3HG2 THR 47 1HG2 THR 47 -0.038 1.415 1.415 318 H CYS 48 H CYS 48 -1.229 0.497 0.497 319 HA CYS 48 HA CYS 48 1.156 0.383 0.383 320 1HB CYS 48 2HB CYS 48 -1.398 -0.992 -0.992 321 2HB CYS 48 1HB CYS 48 0.247 -1.542 -1.542 322 H HIS 49 H HIS 49 -0.309 2.956 2.956 323 HA HIS 49 HA HIS 49 -1.897 3.250 3.250 324 1HB HIS 49 2HB HIS 49 -1.511 4.884 4.884 325 2HB HIS 49 1HB HIS 49 0.083 5.204 5.204 326 HD1 HIS 49 1HD HIS 49 -1.840 7.546 7.546 327 HD2 HIS 49 2HD HIS 49 -1.656 4.971 4.971 328 HE1 HIS 49 1HE HIS 49 -2.844 8.794 8.794 329 H VAL 50 H VAL 50 -1.221 3.235 3.235 330 HA VAL 50 HA VAL 50 1.698 3.551 3.551 331 HB VAL 50 HB VAL 50 1.475 1.603 1.603 332 1HG1 VAL 50 3HG1 VAL 50 0.868 1.099 1.099 333 2HG1 VAL 50 2HG1 VAL 50 1.513 -0.098 -0.098 334 3HG1 VAL 50 1HG1 VAL 50 2.465 1.329 1.329 335 1HG2 VAL 50 3HG2 VAL 50 -1.065 1.880 1.880 336 2HG2 VAL 50 2HG2 VAL 50 -0.465 0.225 0.225 337 3HG2 VAL 50 1HG2 VAL 50 -1.096 1.054 1.054 338 H TYR 51 H TYR 51 2.143 4.183 4.183 339 HA TYR 51 HA TYR 51 -0.195 5.373 5.373 340 1HB TYR 51 2HB TYR 51 2.579 6.249 6.249 341 2HB TYR 51 1HB TYR 51 1.845 6.871 6.871 342 HD1 TYR 51 1HD TYR 51 -0.815 6.170 6.170 343 HD2 TYR 51 2HD TYR 51 2.370 9.018 9.018 344 HE1 TYR 51 1HE TYR 51 -2.102 7.867 7.867 345 HE2 TYR 51 2HE TYR 51 1.065 10.715 10.715 346 HH TYR 51 HH TYR 51 -1.803 9.888 9.888 347 H VAL 52 H VAL 52 -0.611 3.973 3.973 348 HA VAL 52 HA VAL 52 1.531 2.512 2.512 349 HB VAL 52 HB VAL 52 -1.454 2.581 2.581 350 1HG1 VAL 52 1HG1 VAL 52 0.442 1.449 1.449 351 2HG1 VAL 52 3HG1 VAL 52 0.253 0.166 0.166 352 3HG1 VAL 52 2HG1 VAL 52 -1.141 0.700 0.700 353 1HG2 VAL 52 1HG2 VAL 52 0.094 1.566 1.566 354 2HG2 VAL 52 3HG2 VAL 52 -1.656 1.671 1.671 355 3HG2 VAL 52 2HG2 VAL 52 -0.781 0.275 0.275 356 H ASN 53 H ASN 53 2.033 2.957 2.957 357 HA ASN 53 HA ASN 53 1.498 5.709 5.709 358 1HB ASN 53 2HB ASN 53 2.626 4.983 4.983 359 2HB ASN 53 1HB ASN 53 3.569 4.617 4.617 360 1HD2 ASN 53 2HD2 ASN 53 1.909 1.122 1.122 361 2HD2 ASN 53 1HD2 ASN 53 1.121 2.350 2.350 362 H GLU 54 H GLU 54 -0.258 6.439 6.439 363 HA GLU 54 HA GLU 54 -2.674 5.300 5.300 364 1HB GLU 54 2HB GLU 54 -2.825 6.822 6.822 365 2HB GLU 54 1HB GLU 54 -2.262 7.587 7.587 366 1HG GLU 54 2HG GLU 54 0.080 7.284 7.284 367 2HG GLU 54 1HG GLU 54 -0.491 6.541 6.541 368 H ALA 55 H ALA 55 0.099 4.749 4.749 369 HA ALA 55 HA ALA 55 -1.203 3.442 3.442 370 1HB ALA 55 3HB ALA 55 1.492 3.313 3.313 371 2HB ALA 55 2HB ALA 55 1.118 2.163 2.163 372 3HB ALA 55 1HB ALA 55 1.066 3.897 3.897 373 H PHE 56 H PHE 56 -0.848 2.391 2.391 374 HA PHE 56 HA PHE 56 -1.822 -0.337 -0.337 375 1HB PHE 56 2HB PHE 56 0.185 0.564 0.564 376 2HB PHE 56 1HB PHE 56 -0.463 -1.073 -1.073 377 HD1 PHE 56 1HD PHE 56 1.352 1.483 1.483 378 HD2 PHE 56 2HD PHE 56 0.428 -2.724 -2.724 379 HE1 PHE 56 1HE PHE 56 2.945 0.954 0.954 380 HE2 PHE 56 2HE PHE 56 2.018 -3.204 -3.204 381 HZ PHE 56 HZ PHE 56 3.280 -1.390 -1.390 382 H THR 57 H THR 57 -2.268 2.478 2.478 383 HA THR 57 HA THR 57 -3.927 1.171 1.171 384 HB THR 57 HB THR 57 -3.969 3.278 3.278 385 HG1 THR 57 1HG THR 57 -4.133 4.216 4.216 386 1HG2 THR 57 2HG2 THR 57 -1.558 2.689 2.689 387 2HG2 THR 57 1HG2 THR 57 -1.883 4.321 4.321 388 3HG2 THR 57 3HG2 THR 57 -1.833 4.003 4.003 389 H ASP 58 H ASP 58 -4.364 2.864 2.864 390 HA ASP 58 HA ASP 58 -7.250 3.153 3.153 391 1HB ASP 58 2HB ASP 58 -7.011 3.986 3.986 392 2HB ASP 58 1HB ASP 58 -5.533 4.461 4.461 393 H LYS 59 H LYS 59 -5.042 0.664 0.664 394 HA LYS 59 HA LYS 59 -7.058 -0.864 -0.864 395 1HB LYS 59 2HB LYS 59 -4.274 -1.493 -1.493 396 2HB LYS 59 1HB LYS 59 -5.186 -2.510 -2.510 397 1HG LYS 59 2HG LYS 59 -4.167 0.298 0.298 398 2HG LYS 59 1HG LYS 59 -3.726 -1.170 -1.170 399 1HD LYS 59 2HD LYS 59 -6.419 -1.197 -1.197 400 2HD LYS 59 1HD LYS 59 -6.129 0.542 0.542 401 1HE LYS 59 2HE LYS 59 -5.304 0.510 0.510 402 2HE LYS 59 1HE LYS 59 -4.096 -0.701 -0.701 403 1HZ LYS 59 2HZ LYS 59 -5.878 -2.390 -2.390 404 2HZ LYS 59 1HZ LYS 59 -6.923 -1.211 -1.211 405 3HZ LYS 59 3HZ LYS 59 -5.543 -1.674 -1.674 406 H VAL 60 H VAL 60 -5.242 -1.400 -1.400 407 HA VAL 60 HA VAL 60 -6.377 -3.704 -3.704 408 HB VAL 60 HB VAL 60 -6.072 -2.512 -2.512 409 1HG1 VAL 60 3HG1 VAL 60 -3.885 -2.347 -2.347 410 2HG1 VAL 60 2HG1 VAL 60 -3.623 -2.196 -2.196 411 3HG1 VAL 60 1HG1 VAL 60 -4.221 -3.712 -3.712 412 1HG2 VAL 60 2HG2 VAL 60 -6.721 -0.268 -0.268 413 2HG2 VAL 60 1HG2 VAL 60 -5.189 -0.261 -0.261 414 3HG2 VAL 60 3HG2 VAL 60 -5.198 -0.241 -0.241 415 HA PRO 61 HA PRO 61 -10.663 -3.137 -3.137 416 1HB PRO 61 2HB PRO 61 -10.945 -3.975 -3.975 417 2HB PRO 61 1HB PRO 61 -10.721 -5.073 -5.073 418 1HG PRO 61 2HG PRO 61 -8.692 -4.035 -4.035 419 2HG PRO 61 1HG PRO 61 -8.914 -5.685 -5.685 420 1HD PRO 61 2HD PRO 61 -7.001 -4.107 -4.107 421 2HD PRO 61 1HD PRO 61 -7.932 -5.201 -5.201 422 H ALA 62 H ALA 62 -12.213 -1.964 -1.964 423 HA ALA 62 HA ALA 62 -11.286 0.668 0.668 424 1HB ALA 62 1HB ALA 62 -13.483 -0.550 -0.550 425 2HB ALA 62 3HB ALA 62 -14.100 -0.002 -0.002 426 3HB ALA 62 2HB ALA 62 -13.364 1.155 1.155 427 H ALA 63 H ALA 63 -10.854 1.225 1.225 428 HA ALA 63 HA ALA 63 -11.227 -0.536 -0.536 429 1HB ALA 63 2HB ALA 63 -9.460 1.259 1.259 430 2HB ALA 63 1HB ALA 63 -10.707 2.450 2.450 431 3HB ALA 63 3HB ALA 63 -10.208 1.288 1.288 432 H ASN 64 H ASN 64 -12.791 -0.375 -0.375 433 HA ASN 64 HA ASN 64 -15.231 1.160 1.160 434 1HB ASN 64 2HB ASN 64 -16.154 -0.393 -0.393 435 2HB ASN 64 1HB ASN 64 -15.791 -1.078 -1.078 436 1HD2 ASN 64 2HD2 ASN 64 -12.821 -1.730 -1.730 437 2HD2 ASN 64 1HD2 ASN 64 -13.424 -0.159 -0.159 438 H GLU 65 H GLU 65 -16.545 1.520 1.520 439 HA GLU 65 HA GLU 65 -15.522 3.866 3.866 440 1HB GLU 65 2HB GLU 65 -17.356 3.601 3.601 441 2HB GLU 65 1HB GLU 65 -17.863 2.824 2.824 442 1HG GLU 65 2HG GLU 65 -16.582 0.767 0.767 443 2HG GLU 65 1HG GLU 65 -17.346 1.634 1.634 444 H ARG 66 H ARG 66 -14.686 0.550 0.550 445 HA ARG 66 HA ARG 66 -13.729 0.852 0.852 446 1HB ARG 66 2HB ARG 66 -13.814 -1.124 -1.124 447 2HB ARG 66 1HB ARG 66 -12.122 -0.942 -0.942 448 1HG ARG 66 2HG ARG 66 -12.630 -1.341 -1.341 449 2HG ARG 66 1HG ARG 66 -14.370 -1.316 -1.316 450 1HD ARG 66 2HD ARG 66 -12.397 -3.346 -3.346 451 2HD ARG 66 1HD ARG 66 -13.589 -3.649 -3.649 452 HE ARG 66 HE ARG 66 -15.045 -2.551 -2.551 453 1HH1 ARG 66 1HH1 ARG 66 -13.452 -5.421 -5.421 454 2HH1 ARG 66 2HH1 ARG 66 -14.051 -6.373 -6.373 455 1HH2 ARG 66 1HH2 ARG 66 -15.644 -3.709 -3.709 456 2HH2 ARG 66 2HH2 ARG 66 -15.292 -5.402 -5.402 457 H GLU 67 H GLU 67 -11.936 0.851 0.851 458 HA GLU 67 HA GLU 67 -9.424 1.573 1.573 459 1HB GLU 67 2HB GLU 67 -9.764 0.707 0.707 460 2HB GLU 67 1HB GLU 67 -10.792 2.079 2.079 461 1HG GLU 67 2HG GLU 67 -8.518 3.350 3.350 462 2HG GLU 67 1HG GLU 67 -7.848 1.896 1.896 463 H ILE 68 H ILE 68 -11.915 3.735 3.735 464 HA ILE 68 HA ILE 68 -10.571 6.155 6.155 465 HB ILE 68 HB ILE 68 -13.413 5.239 5.239 466 1HG1 ILE 68 2HG1 ILE 68 -13.665 6.374 6.374 467 2HG1 ILE 68 1HG1 ILE 68 -12.127 7.214 7.214 468 1HG2 ILE 68 3HG2 ILE 68 -12.393 7.831 7.831 469 2HG2 ILE 68 2HG2 ILE 68 -13.692 7.967 7.967 470 3HG2 ILE 68 1HG2 ILE 68 -13.946 7.051 7.051 471 1HD1 ILE 68 3HD1 ILE 68 -10.970 4.995 4.995 472 2HD1 ILE 68 2HD1 ILE 68 -12.519 4.232 4.232 473 3HD1 ILE 68 1HD1 ILE 68 -11.803 5.354 5.354 474 H GLY 69 H GLY 69 -11.834 4.297 4.297 475 1HA GLY 69 2HA GLY 69 -11.364 6.593 6.593 476 2HA GLY 69 1HA GLY 69 -12.029 5.038 5.038 477 H MET 70 H MET 70 -10.397 3.167 3.167 478 HA MET 70 HA MET 70 -8.185 3.361 3.361 479 1HB MET 70 2HB MET 70 -7.346 1.413 1.413 480 2HB MET 70 1HB MET 70 -8.976 1.229 1.229 481 1HG MET 70 2HG MET 70 -9.561 2.487 2.487 482 2HG MET 70 1HG MET 70 -8.034 1.777 1.777 483 1HE MET 70 2HE MET 70 -7.634 0.072 0.072 484 2HE MET 70 1HE MET 70 -7.636 -1.117 -1.117 485 3HE MET 70 3HE MET 70 -8.537 -1.447 -1.447 486 H LEU 71 H LEU 71 -8.335 3.856 3.856 487 HA LEU 71 HA LEU 71 -5.516 4.365 4.365 488 1HB LEU 71 2HB LEU 71 -7.369 3.528 3.528 489 2HB LEU 71 1HB LEU 71 -7.918 5.209 5.209 490 HG LEU 71 HG LEU 71 -5.658 3.935 3.935 491 1HD1 LEU 71 1HD1 LEU 71 -7.820 5.758 5.758 492 2HD1 LEU 71 3HD1 LEU 71 -6.311 6.565 6.565 493 3HD1 LEU 71 2HD1 LEU 71 -6.737 5.023 5.023 494 1HD2 LEU 71 1HD2 LEU 71 -4.502 5.340 5.340 495 2HD2 LEU 71 3HD2 LEU 71 -4.131 5.774 5.774 496 3HD2 LEU 71 2HD2 LEU 71 -5.271 6.746 6.746 497 H GLU 72 H GLU 72 -8.299 6.189 6.189 498 HA GLU 72 HA GLU 72 -6.998 8.828 8.828 499 1HB GLU 72 2HB GLU 72 -9.306 8.810 8.810 500 2HB GLU 72 1HB GLU 72 -9.679 7.749 7.749 501 1HG GLU 72 2HG GLU 72 -9.854 9.468 9.468 502 2HG GLU 72 1HG GLU 72 -8.446 10.303 10.303 503 H CYS 73 H CYS 73 -7.229 6.341 6.341 504 HA CYS 73 HA CYS 73 -7.364 7.667 7.667 505 1HB CYS 73 2HB CYS 73 -5.807 5.325 5.325 506 2HB CYS 73 1HB CYS 73 -5.552 5.837 5.837 507 HG CYS 73 HG CYS 73 -8.376 5.644 5.644 508 H VAL 74 H VAL 74 -4.461 7.167 7.167 509 HA VAL 74 HA VAL 74 -2.958 9.130 9.130 510 HB VAL 74 HB VAL 74 -1.145 8.444 8.444 511 1HG1 VAL 74 1HG1 VAL 74 -2.486 6.515 6.515 512 2HG1 VAL 74 3HG1 VAL 74 -0.988 6.110 6.110 513 3HG1 VAL 74 2HG1 VAL 74 -1.036 7.483 7.483 514 1HG2 VAL 74 2HG2 VAL 74 -3.025 7.580 7.580 515 2HG2 VAL 74 1HG2 VAL 74 -1.553 6.621 6.621 516 3HG2 VAL 74 3HG2 VAL 74 -3.010 6.144 6.144 517 H THR 75 H THR 75 -4.040 11.091 11.091 518 HA THR 75 HA THR 75 -4.951 12.016 12.016 519 HB THR 75 HB THR 75 -5.098 13.137 13.137 520 HG1 THR 75 1HG THR 75 -5.348 14.290 14.290 521 1HG2 THR 75 3HG2 THR 75 -2.279 12.869 12.869 522 2HG2 THR 75 2HG2 THR 75 -2.620 14.599 14.599 523 3HG2 THR 75 1HG2 THR 75 -3.239 13.598 13.598 524 H ALA 76 H ALA 76 -3.593 11.288 11.288 525 HA ALA 76 HA ALA 76 -0.986 12.753 12.753 526 1HB ALA 76 1HB ALA 76 -1.136 10.146 10.146 527 2HB ALA 76 3HB ALA 76 -1.611 10.143 10.143 528 3HB ALA 76 2HB ALA 76 -0.042 10.791 10.791 529 H GLU 77 H GLU 77 -3.272 14.026 14.026 530 HA GLU 77 HA GLU 77 -4.459 14.756 14.756 531 1HB GLU 77 2HB GLU 77 -2.822 15.511 15.511 532 2HB GLU 77 1HB GLU 77 -2.259 15.875 15.875 533 1HG GLU 77 2HG GLU 77 -0.746 14.014 14.014 534 2HG GLU 77 1HG GLU 77 -1.453 13.369 13.369 535 H LEU 78 H LEU 78 -5.196 12.322 12.322 536 HA LEU 78 HA LEU 78 -4.651 10.158 10.158 537 1HB LEU 78 2HB LEU 78 -6.842 11.288 11.288 538 2HB LEU 78 1HB LEU 78 -7.342 11.219 11.219 539 HG LEU 78 HG LEU 78 -6.353 8.780 8.780 540 1HD1 LEU 78 1HD1 LEU 78 -6.662 9.604 9.604 541 2HD1 LEU 78 3HD1 LEU 78 -7.056 7.945 7.945 542 3HD1 LEU 78 2HD1 LEU 78 -5.435 8.577 8.577 543 1HD2 LEU 78 2HD2 LEU 78 -8.970 9.923 9.923 544 2HD2 LEU 78 1HD2 LEU 78 -8.572 8.658 8.658 545 3HD2 LEU 78 3HD2 LEU 78 -8.727 8.265 8.265 546 H LYS 79 H LYS 79 -3.932 9.811 9.811 547 HA LYS 79 HA LYS 79 -4.329 11.820 11.820 548 1HB LYS 79 2HB LYS 79 -3.088 9.079 9.079 549 2HB LYS 79 1HB LYS 79 -2.656 10.562 10.562 550 1HG LYS 79 2HG LYS 79 -2.327 10.851 10.851 551 2HG LYS 79 1HG LYS 79 -1.376 9.513 9.513 552 1HD LYS 79 2HD LYS 79 0.123 11.016 11.016 553 2HD LYS 79 1HD LYS 79 -1.078 11.559 11.559 554 1HE LYS 79 2HE LYS 79 -2.039 12.977 12.977 555 2HE LYS 79 1HE LYS 79 -0.455 12.708 12.708 556 1HZ LYS 79 3HZ LYS 79 0.551 13.411 13.411 557 2HZ LYS 79 2HZ LYS 79 -0.996 13.882 13.882 558 3HZ LYS 79 1HZ LYS 79 -0.273 14.652 14.652 559 HA PRO 80 HA PRO 80 -7.656 9.756 9.756 560 1HB PRO 80 2HB PRO 80 -6.804 9.464 9.464 561 2HB PRO 80 1HB PRO 80 -7.343 11.018 11.018 562 1HG PRO 80 2HG PRO 80 -4.576 9.972 9.972 563 2HG PRO 80 1HG PRO 80 -5.218 11.600 11.600 564 1HD PRO 80 2HD PRO 80 -3.777 11.005 11.005 565 2HD PRO 80 1HD PRO 80 -5.102 12.186 12.186 566 H ASN 81 H ASN 81 -4.453 8.416 8.416 567 HA ASN 81 HA ASN 81 -5.598 5.697 5.697 568 1HB ASN 81 2HB ASN 81 -3.146 5.256 5.256 569 2HB ASN 81 1HB ASN 81 -4.035 6.311 6.311 570 1HD2 ASN 81 2HD2 ASN 81 -0.694 7.711 7.711 571 2HD2 ASN 81 1HD2 ASN 81 -1.074 6.072 6.072 572 H SER 82 H SER 82 -4.382 7.589 7.589 573 HA SER 82 HA SER 82 -2.612 5.976 5.976 574 1HB SER 82 2HB SER 82 -5.043 7.528 7.528 575 2HB SER 82 1HB SER 82 -3.707 7.018 7.018 576 HG SER 82 HG SER 82 -2.516 8.154 8.154 577 H ARG 83 H ARG 83 -2.814 4.140 4.140 578 HA ARG 83 HA ARG 83 -5.469 2.943 2.943 579 1HB ARG 83 2HB ARG 83 -3.515 2.086 2.086 580 2HB ARG 83 1HB ARG 83 -4.174 0.787 0.787 581 1HG ARG 83 2HG ARG 83 -6.110 2.791 2.791 582 2HG ARG 83 1HG ARG 83 -5.414 1.659 1.659 583 1HD ARG 83 2HD ARG 83 -6.100 0.131 0.131 584 2HD ARG 83 1HD ARG 83 -7.494 1.166 1.166 585 HE ARG 83 HE ARG 83 -6.287 -0.030 -0.030 586 1HH1 ARG 83 1HH1 ARG 83 -8.731 -0.174 -0.174 587 2HH1 ARG 83 2HH1 ARG 83 -9.607 -1.448 -1.448 588 1HH2 ARG 83 1HH2 ARG 83 -7.353 -1.794 -1.794 589 2HH2 ARG 83 2HH2 ARG 83 -8.833 -2.360 -2.360 590 H LEU 84 H LEU 84 -5.220 0.963 0.963 591 HA LEU 84 HA LEU 84 -3.046 1.332 1.332 592 1HB LEU 84 2HB LEU 84 -5.763 0.431 0.431 593 2HB LEU 84 1HB LEU 84 -4.775 -0.901 -0.901 594 HG LEU 84 HG LEU 84 -4.938 1.902 1.902 595 1HD1 LEU 84 2HD1 LEU 84 -5.968 -0.793 -0.793 596 2HD1 LEU 84 1HD1 LEU 84 -5.323 0.122 0.122 597 3HD1 LEU 84 3HD1 LEU 84 -6.652 0.790 0.790 598 1HD2 LEU 84 3HD2 LEU 84 -2.920 -0.270 -0.270 599 2HD2 LEU 84 2HD2 LEU 84 -2.711 1.473 1.473 600 3HD2 LEU 84 1HD2 LEU 84 -3.404 0.524 0.524 601 H SER 85 H SER 85 -1.378 -0.249 -0.249 602 HA SER 85 HA SER 85 -0.419 -1.800 -1.800 603 1HB SER 85 2HB SER 85 1.000 -2.743 -2.743 604 2HB SER 85 1HB SER 85 0.478 -1.297 -1.297 605 HG SER 85 HG SER 85 0.358 -3.436 -3.436 606 H CYS 86 H CYS 86 -2.656 -2.829 -2.829 607 HA CYS 86 HA CYS 86 -3.146 -5.426 -5.426 608 1HB CYS 86 2HB CYS 86 -4.550 -4.467 -4.467 609 2HB CYS 86 1HB CYS 86 -4.013 -6.087 -6.087 610 H GLN 87 H GLN 87 -4.030 -3.079 -3.079 611 HA GLN 87 HA GLN 87 -6.991 -3.393 -3.393 612 1HB GLN 87 2HB GLN 87 -6.186 -1.205 -1.205 613 2HB GLN 87 1HB GLN 87 -5.290 -1.005 -1.005 614 1HG GLN 87 2HG GLN 87 -7.419 0.211 0.211 615 2HG GLN 87 1HG GLN 87 -7.411 -1.123 -1.123 616 1HE2 GLN 87 2HE2 GLN 87 -9.357 -2.469 -2.469 617 2HE2 GLN 87 1HE2 GLN 87 -7.680 -2.203 -2.203 618 H ILE 88 H ILE 88 -4.281 -2.777 -2.777 619 HA ILE 88 HA ILE 88 -6.015 -3.271 -3.271 620 HB ILE 88 HB ILE 88 -3.091 -2.959 -2.959 621 1HG1 ILE 88 2HG1 ILE 88 -4.820 -0.781 -0.781 622 2HG1 ILE 88 1HG1 ILE 88 -3.313 -1.430 -1.430 623 1HG2 ILE 88 3HG2 ILE 88 -5.518 -1.588 -1.588 624 2HG2 ILE 88 2HG2 ILE 88 -3.860 -1.362 -1.362 625 3HG2 ILE 88 1HG2 ILE 88 -4.637 -2.937 -2.937 626 1HD1 ILE 88 3HD1 ILE 88 -2.325 -0.656 -0.656 627 2HD1 ILE 88 2HD1 ILE 88 -3.730 0.410 0.410 628 3HD1 ILE 88 1HD1 ILE 88 -2.557 0.521 0.521 629 H ILE 89 H ILE 89 -5.642 -4.984 -4.984 630 HA ILE 89 HA ILE 89 -4.061 -7.271 -7.271 631 HB ILE 89 HB ILE 89 -6.562 -6.995 -6.995 632 1HG1 ILE 89 2HG1 ILE 89 -7.025 -7.029 -7.029 633 2HG1 ILE 89 1HG1 ILE 89 -7.358 -8.664 -8.664 634 1HG2 ILE 89 2HG2 ILE 89 -5.043 -8.668 -8.668 635 2HG2 ILE 89 1HG2 ILE 89 -4.993 -9.539 -9.539 636 3HG2 ILE 89 3HG2 ILE 89 -6.512 -9.397 -9.397 637 1HD1 ILE 89 3HD1 ILE 89 -4.940 -9.219 -9.219 638 2HD1 ILE 89 2HD1 ILE 89 -4.934 -7.677 -7.677 639 3HD1 ILE 89 1HD1 ILE 89 -6.068 -8.943 -8.943 640 H MET 90 H MET 90 -3.029 -8.633 -8.633 641 HA MET 90 HA MET 90 -2.108 -6.844 -6.844 642 1HB MET 90 2HB MET 90 -0.691 -8.167 -8.167 643 2HB MET 90 1HB MET 90 -0.620 -9.323 -9.323 644 1HG MET 90 2HG MET 90 0.438 -6.509 -6.509 645 2HG MET 90 1HG MET 90 1.248 -7.975 -7.975 646 1HE MET 90 1HE MET 90 1.398 -5.400 -5.400 647 2HE MET 90 3HE MET 90 1.583 -5.759 -5.759 648 3HE MET 90 2HE MET 90 0.254 -4.744 -4.744 649 H THR 91 H THR 91 -2.732 -7.378 -7.378 650 HA THR 91 HA THR 91 -3.855 -10.109 -10.109 651 HB THR 91 HB THR 91 -4.489 -8.523 -8.523 652 HG1 THR 91 1HG THR 91 -5.220 -6.579 -6.579 653 1HG2 THR 91 3HG2 THR 91 -6.033 -9.906 -9.906 654 2HG2 THR 91 2HG2 THR 91 -5.966 -8.712 -8.712 655 3HG2 THR 91 1HG2 THR 91 -6.685 -8.287 -8.287 656 HA PRO 92 HA PRO 92 -0.525 -11.064 -11.064 657 1HB PRO 92 2HB PRO 92 -1.777 -12.583 -12.583 658 2HB PRO 92 1HB PRO 92 -1.451 -13.161 -13.161 659 1HG PRO 92 2HG PRO 92 -3.981 -12.157 -12.157 660 2HG PRO 92 1HG PRO 92 -3.718 -13.439 -13.439 661 1HD PRO 92 2HD PRO 92 -4.588 -10.910 -10.910 662 2HD PRO 92 1HD PRO 92 -3.746 -11.986 -11.986 663 H GLU 93 H GLU 93 -2.972 -8.980 -8.980 664 HA GLU 93 HA GLU 93 -1.786 -8.473 -8.473 665 1HB GLU 93 2HB GLU 93 -3.992 -7.166 -7.166 666 2HB GLU 93 1HB GLU 93 -4.132 -8.920 -8.920 667 1HG GLU 93 2HG GLU 93 -5.026 -8.855 -8.855 668 2HG GLU 93 1HG GLU 93 -4.184 -7.364 -7.364 669 H LEU 94 H LEU 94 -2.488 -7.102 -7.102 670 HA LEU 94 HA LEU 94 -1.573 -4.391 -4.391 671 1HB LEU 94 2HB LEU 94 -2.405 -5.486 -5.486 672 2HB LEU 94 1HB LEU 94 -2.383 -3.803 -3.803 673 HG LEU 94 HG LEU 94 -4.261 -5.999 -5.999 674 1HD1 LEU 94 2HD1 LEU 94 -4.490 -3.200 -3.200 675 2HD1 LEU 94 1HD1 LEU 94 -5.870 -4.022 -4.022 676 3HD1 LEU 94 3HD1 LEU 94 -5.092 -4.702 -4.702 677 1HD2 LEU 94 3HD2 LEU 94 -3.347 -4.992 -4.992 678 2HD2 LEU 94 2HD2 LEU 94 -5.039 -4.531 -4.531 679 3HD2 LEU 94 1HD2 LEU 94 -3.749 -3.386 -3.386 680 H ASP 95 H ASP 95 0.267 -6.560 -6.560 681 HA ASP 95 HA ASP 95 1.938 -6.524 -6.524 682 1HB ASP 95 2HB ASP 95 3.119 -8.208 -8.208 683 2HB ASP 95 1HB ASP 95 1.459 -8.393 -8.393 684 H GLY 96 H GLY 96 3.891 -5.514 -5.514 685 1HA GLY 96 2HA GLY 96 5.848 -4.274 -4.274 686 2HA GLY 96 1HA GLY 96 4.897 -3.763 -3.763 687 H ILE 97 H ILE 97 3.503 -3.822 -3.822 688 HA ILE 97 HA ILE 97 2.760 -1.044 -1.044 689 HB ILE 97 HB ILE 97 1.282 -2.745 -2.745 690 1HG1 ILE 97 2HG1 ILE 97 1.500 -0.254 -0.254 691 2HG1 ILE 97 1HG1 ILE 97 0.375 -1.391 -1.391 692 1HG2 ILE 97 2HG2 ILE 97 3.487 -3.038 -3.038 693 2HG2 ILE 97 1HG2 ILE 97 1.854 -3.650 -3.650 694 3HG2 ILE 97 3HG2 ILE 97 2.833 -4.281 -4.281 695 1HD1 ILE 97 3HD1 ILE 97 3.172 -1.316 -1.316 696 2HD1 ILE 97 2HD1 ILE 97 2.098 0.017 0.017 697 3HD1 ILE 97 1HD1 ILE 97 1.662 -1.636 -1.636 698 H VAL 98 H VAL 98 3.624 0.695 0.695 699 HA VAL 98 HA VAL 98 6.054 0.403 0.403 700 HB VAL 98 HB VAL 98 4.870 2.803 2.803 701 1HG1 VAL 98 2HG1 VAL 98 7.574 2.131 2.131 702 2HG1 VAL 98 1HG1 VAL 98 7.368 3.440 3.440 703 3HG1 VAL 98 3HG1 VAL 98 6.526 3.495 3.495 704 1HG2 VAL 98 1HG2 VAL 98 6.861 0.746 0.746 705 2HG2 VAL 98 3HG2 VAL 98 5.246 1.048 1.048 706 3HG2 VAL 98 2HG2 VAL 98 6.504 2.272 2.272 707 H VAL 99 H VAL 99 5.173 0.278 0.278 708 HA VAL 99 HA VAL 99 3.221 2.421 2.421 709 HB VAL 99 HB VAL 99 2.157 0.533 0.533 710 1HG1 VAL 99 3HG1 VAL 99 4.863 -0.632 -0.632 711 2HG1 VAL 99 2HG1 VAL 99 3.311 -1.479 -1.479 712 3HG1 VAL 99 1HG1 VAL 99 3.847 -0.996 -0.996 713 1HG2 VAL 99 3HG2 VAL 99 4.122 0.997 0.997 714 2HG2 VAL 99 2HG2 VAL 99 2.516 1.733 1.733 715 3HG2 VAL 99 1HG2 VAL 99 2.667 -0.007 -0.007 716 H ASP 100 H ASP 100 3.440 3.252 3.252 717 HA ASP 100 HA ASP 100 6.301 3.656 3.656 718 1HB ASP 100 2HB ASP 100 4.686 6.104 6.104 719 2HB ASP 100 1HB ASP 100 6.302 5.837 5.837 720 H VAL 101 H VAL 101 6.445 5.045 5.045 721 HA VAL 101 HA VAL 101 4.291 4.256 4.256 722 HB VAL 101 HB VAL 101 7.216 5.006 5.006 723 1HG1 VAL 101 1HG1 VAL 101 5.627 5.638 5.638 724 2HG1 VAL 101 3HG1 VAL 101 5.341 3.909 3.909 725 3HG1 VAL 101 2HG1 VAL 101 6.960 4.566 4.566 726 1HG2 VAL 101 2HG2 VAL 101 6.525 2.734 2.734 727 2HG2 VAL 101 1HG2 VAL 101 7.610 2.697 2.697 728 3HG2 VAL 101 3HG2 VAL 101 5.892 2.353 2.353 729 HA PRO 102 HA PRO 102 3.440 8.673 8.673 730 1HB PRO 102 2HB PRO 102 1.088 8.546 8.546 731 2HB PRO 102 1HB PRO 102 1.225 8.099 8.099 732 1HG PRO 102 2HG PRO 102 1.163 6.348 6.348 733 2HG PRO 102 1HG PRO 102 0.378 6.131 6.131 734 1HD PRO 102 2HD PRO 102 2.655 4.837 4.837 735 2HD PRO 102 1HD PRO 102 2.275 5.294 5.294 736 H ASP 103 H ASP 103 5.127 9.402 9.402 737 HA ASP 103 HA ASP 103 4.382 9.292 9.292 738 1HB ASP 103 2HB ASP 103 6.480 8.315 8.315 739 2HB ASP 103 1HB ASP 103 6.948 9.360 9.360 740 H ARG 104 H ARG 104 3.375 11.149 11.149 741 HA ARG 104 HA ARG 104 4.285 13.712 13.712 742 1HB ARG 104 2HB ARG 104 1.784 13.862 13.862 743 2HB ARG 104 1HB ARG 104 2.103 14.266 14.266 744 1HG ARG 104 2HG ARG 104 0.730 12.513 12.513 745 2HG ARG 104 1HG ARG 104 2.141 11.523 11.523 746 1HD ARG 104 2HD ARG 104 -0.165 12.169 12.169 747 2HD ARG 104 1HD ARG 104 0.487 10.581 10.581 748 HE ARG 104 HE ARG 104 2.303 12.436 12.436 749 1HH1 ARG 104 1HH2 ARG 104 1.937 9.262 9.262 750 2HH1 ARG 104 2HH2 ARG 104 1.851 8.759 8.759 751 1HH2 ARG 104 1HH1 ARG 104 1.469 11.976 11.976 752 2HH2 ARG 104 2HH1 ARG 104 1.587 10.295 10.295 753 H GLN 105 H GLN 105 5.667 14.784 14.784 754 HA GLN 105 HA GLN 105 5.125 14.678 14.678 755 1HB GLN 105 2HB GLN 105 7.558 14.931 14.931 756 2HB GLN 105 1HB GLN 105 7.200 13.559 13.559 757 1HG GLN 105 2HG GLN 105 7.297 15.756 15.756 758 2HG GLN 105 1HG GLN 105 8.639 16.010 16.010 759 1HE2 GLN 105 2HE2 GLN 105 8.890 13.090 13.090 760 2HE2 GLN 105 1HE2 GLN 105 7.569 14.154 14.154 761 H TRP 106 H TRP 106 4.706 16.644 16.644 762 HA TRP 106 HA TRP 106 5.612 19.133 19.133 763 1HB TRP 106 2HB TRP 106 6.385 18.797 18.797 764 2HB TRP 106 1HB TRP 106 4.734 18.504 18.504 765 HD1 TRP 106 HD TRP 106 3.920 20.533 20.533 766 HE1 TRP 106 1HE TRP 106 4.046 23.090 23.090 767 HE3 TRP 106 3HE TRP 106 6.821 20.775 20.775 768 HZ2 TRP 106 2HZ TRP 106 5.222 24.988 24.988 769 HZ3 TRP 106 3HZ TRP 106 7.429 22.968 22.968 770 HH2 TRP 106 HH TRP 106 6.634 25.072 25.072 Start of MODEL 17 1 1H SER 1 2HT SER 1 3.580 -11.243 -11.243 2 2H SER 1 1HT SER 1 2.079 -10.657 -10.657 3 3H SER 1 3HT SER 1 2.179 -11.505 -11.505 4 HA SER 1 HA SER 1 3.059 -9.739 -9.739 5 1HB SER 1 2HB SER 1 1.895 -7.775 -7.775 6 2HB SER 1 1HB SER 1 1.154 -8.564 -8.564 7 HG SER 1 HG SER 1 0.419 -10.189 -10.189 8 H LYS 2 H LYS 2 4.676 -8.152 -8.152 9 HA LYS 2 HA LYS 2 6.693 -8.072 -8.072 10 1HB LYS 2 2HB LYS 2 6.687 -7.707 -7.707 11 2HB LYS 2 1HB LYS 2 6.448 -6.020 -6.020 12 1HG LYS 2 2HG LYS 2 8.519 -5.867 -5.867 13 2HG LYS 2 1HG LYS 2 8.592 -7.596 -7.596 14 1HD LYS 2 2HD LYS 2 8.749 -6.443 -6.443 15 2HD LYS 2 1HD LYS 2 10.169 -6.824 -6.824 16 1HE LYS 2 2HE LYS 2 8.261 -9.042 -9.042 17 2HE LYS 2 1HE LYS 2 8.842 -8.616 -8.616 18 1HZ LYS 2 1HZ LYS 2 11.113 -8.552 -8.552 19 2HZ LYS 2 3HZ LYS 2 10.515 -9.124 -9.124 20 3HZ LYS 2 2HZ LYS 2 10.417 -10.098 -10.098 21 H VAL 3 H VAL 3 6.654 -6.757 -6.757 22 HA VAL 3 HA VAL 3 4.949 -4.287 -4.287 23 HB VAL 3 HB VAL 3 5.323 -6.450 -6.450 24 1HG1 VAL 3 3HG1 VAL 3 5.890 -4.288 -4.288 25 2HG1 VAL 3 2HG1 VAL 3 4.316 -3.663 -3.663 26 3HG1 VAL 3 1HG1 VAL 3 4.414 -5.027 -5.027 27 1HG2 VAL 3 3HG2 VAL 3 3.001 -4.873 -4.873 28 2HG2 VAL 3 2HG2 VAL 3 3.386 -6.567 -6.567 29 3HG2 VAL 3 1HG2 VAL 3 2.833 -6.065 -6.065 30 H VAL 4 H VAL 4 5.939 -2.379 -2.379 31 HA VAL 4 HA VAL 4 8.718 -2.594 -2.594 32 HB VAL 4 HB VAL 4 7.514 -0.636 -0.636 33 1HG1 VAL 4 2HG1 VAL 4 9.783 -0.397 -0.397 34 2HG1 VAL 4 1HG1 VAL 4 10.363 -0.542 -0.542 35 3HG1 VAL 4 3HG1 VAL 4 9.228 0.738 0.738 36 1HG2 VAL 4 3HG2 VAL 4 9.140 -3.107 -3.107 37 2HG2 VAL 4 2HG2 VAL 4 7.907 -2.445 -2.445 38 3HG2 VAL 4 1HG2 VAL 4 9.533 -1.762 -1.762 39 H TYR 5 H TYR 5 8.674 -2.014 -2.014 40 HA TYR 5 HA TYR 5 6.775 -0.080 -0.080 41 1HB TYR 5 2HB TYR 5 9.171 -1.549 -1.549 42 2HB TYR 5 1HB TYR 5 8.063 -0.614 -0.614 43 HD1 TYR 5 2HD TYR 5 5.899 -1.657 -1.657 44 HD2 TYR 5 1HD TYR 5 8.419 -3.403 -3.403 45 HE1 TYR 5 2HE TYR 5 4.285 -3.521 -3.521 46 HE2 TYR 5 1HE TYR 5 6.827 -5.250 -5.250 47 HH TYR 5 HH TYR 5 4.056 -5.422 -5.422 48 H VAL 6 H VAL 6 7.137 2.035 2.035 49 HA VAL 6 HA VAL 6 10.000 2.988 2.988 50 HB VAL 6 HB VAL 6 7.534 4.581 4.581 51 1HG1 VAL 6 2HG1 VAL 6 9.987 5.512 5.512 52 2HG1 VAL 6 1HG1 VAL 6 10.269 4.872 4.872 53 3HG1 VAL 6 3HG1 VAL 6 9.029 6.099 6.099 54 1HG2 VAL 6 3HG2 VAL 6 7.675 2.450 2.450 55 2HG2 VAL 6 2HG2 VAL 6 7.858 3.888 3.888 56 3HG2 VAL 6 1HG2 VAL 6 9.276 2.937 2.937 57 H SER 7 H SER 7 10.719 4.043 4.043 58 HA SER 7 HA SER 7 8.866 4.502 4.502 59 1HB SER 7 2HB SER 7 11.017 5.364 5.364 60 2HB SER 7 1HB SER 7 11.120 3.718 3.718 61 HG SER 7 HG SER 7 12.345 6.034 6.034 62 H HIS 8 H HIS 8 9.956 6.930 6.930 63 HA HIS 8 HA HIS 8 8.760 8.841 8.841 64 1HB HIS 8 2HB HIS 8 8.914 10.301 10.301 65 2HB HIS 8 1HB HIS 8 7.623 9.133 9.133 66 HD1 HIS 8 1HD HIS 8 7.284 7.773 7.773 67 HD2 HIS 8 2HD HIS 8 11.296 8.785 8.785 68 HE1 HIS 8 1HE HIS 8 8.485 6.695 6.695 69 H ASP 9 H ASP 9 11.727 7.763 7.763 70 HA ASP 9 HA ASP 9 13.127 10.326 10.326 71 1HB ASP 9 2HB ASP 9 14.947 9.318 9.318 72 2HB ASP 9 1HB ASP 9 13.477 8.953 8.953 73 H GLY 10 H GLY 10 12.112 7.605 7.605 74 1HA GLY 10 2HA GLY 10 12.715 7.429 7.429 75 2HA GLY 10 1HA GLY 10 14.371 7.829 7.829 76 H THR 11 H THR 11 13.949 5.947 5.947 77 HA THR 11 HA THR 11 15.305 3.704 3.704 78 HB THR 11 HB THR 11 13.972 4.639 4.639 79 HG1 THR 11 1HG THR 11 15.418 2.885 2.885 80 1HG2 THR 11 3HG2 THR 11 12.308 2.796 2.796 81 2HG2 THR 11 2HG2 THR 11 13.620 1.657 1.657 82 3HG2 THR 11 1HG2 THR 11 13.025 2.679 2.679 83 H ARG 12 H ARG 12 14.673 1.777 1.777 84 HA ARG 12 HA ARG 12 11.803 1.520 1.520 85 1HB ARG 12 2HB ARG 12 14.402 1.309 1.309 86 2HB ARG 12 1HB ARG 12 13.116 0.210 0.210 87 1HG ARG 12 2HG ARG 12 11.597 2.096 2.096 88 2HG ARG 12 1HG ARG 12 12.826 3.220 3.220 89 1HD ARG 12 2HD ARG 12 14.243 1.946 1.946 90 2HD ARG 12 1HD ARG 12 12.612 1.866 1.866 91 HE ARG 12 HE ARG 12 12.918 4.475 4.475 92 1HH1 ARG 12 1HH1 ARG 12 13.880 2.427 2.427 93 2HH1 ARG 12 2HH1 ARG 12 14.531 3.711 3.711 94 1HH2 ARG 12 1HH2 ARG 12 13.952 6.154 6.154 95 2HH2 ARG 12 2HH2 ARG 12 14.572 5.821 5.821 96 H ARG 13 H ARG 13 10.848 -0.484 -0.484 97 HA ARG 13 HA ARG 13 12.563 -2.819 -2.819 98 1HB ARG 13 2HB ARG 13 11.410 -1.268 -1.268 99 2HB ARG 13 1HB ARG 13 10.040 -2.313 -2.313 100 1HG ARG 13 2HG ARG 13 10.990 -4.108 -4.108 101 2HG ARG 13 1HG ARG 13 12.568 -3.777 -3.777 102 1HD ARG 13 2HD ARG 13 12.739 -1.836 -1.836 103 2HD ARG 13 1HD ARG 13 11.388 -2.629 -2.629 104 HE ARG 13 HE ARG 13 14.067 -3.551 -3.551 105 1HH1 ARG 13 1HH2 ARG 13 12.928 -5.504 -5.504 106 2HH1 ARG 13 2HH2 ARG 13 12.358 -6.772 -6.772 107 1HH2 ARG 13 1HH1 ARG 13 12.460 -4.837 -4.837 108 2HH2 ARG 13 2HH1 ARG 13 12.093 -6.395 -6.395 109 H GLU 14 H GLU 14 11.713 -3.046 -3.046 110 HA GLU 14 HA GLU 14 8.958 -3.614 -3.614 111 1HB GLU 14 2HB GLU 14 11.384 -4.724 -4.724 112 2HB GLU 14 1HB GLU 14 9.814 -4.317 -4.317 113 1HG GLU 14 2HG GLU 14 10.698 -2.306 -2.306 114 2HG GLU 14 1HG GLU 14 10.644 -1.949 -1.949 115 H LEU 15 H LEU 15 7.821 -5.508 -5.508 116 HA LEU 15 HA LEU 15 9.167 -7.846 -7.846 117 1HB LEU 15 2HB LEU 15 6.444 -6.603 -6.603 118 2HB LEU 15 1HB LEU 15 6.532 -8.345 -8.345 119 HG LEU 15 HG LEU 15 7.818 -6.233 -6.233 120 1HD1 LEU 15 2HD1 LEU 15 5.310 -7.507 -7.507 121 2HD1 LEU 15 1HD1 LEU 15 6.277 -8.356 -8.356 122 3HD1 LEU 15 3HD1 LEU 15 6.036 -6.628 -6.628 123 1HD2 LEU 15 3HD2 LEU 15 9.093 -8.523 -8.523 124 2HD2 LEU 15 2HD2 LEU 15 8.981 -7.850 -7.850 125 3HD2 LEU 15 1HD2 LEU 15 7.869 -9.140 -9.140 126 H ASP 16 H ASP 16 8.772 -9.931 -9.931 127 HA ASP 16 HA ASP 16 7.846 -9.911 -9.911 128 1HB ASP 16 2HB ASP 16 10.093 -10.860 -10.860 129 2HB ASP 16 1HB ASP 16 9.301 -12.007 -12.007 130 H VAL 17 H VAL 17 5.602 -9.744 -9.744 131 HA VAL 17 HA VAL 17 4.495 -11.912 -11.912 132 HB VAL 17 HB VAL 17 3.529 -9.284 -9.284 133 1HG1 VAL 17 2HG1 VAL 17 1.978 -11.358 -11.358 134 2HG1 VAL 17 1HG1 VAL 17 1.438 -9.698 -9.698 135 3HG1 VAL 17 3HG1 VAL 17 1.625 -10.790 -10.790 136 1HG2 VAL 17 2HG2 VAL 17 4.682 -10.242 -10.242 137 2HG2 VAL 17 1HG2 VAL 17 4.500 -8.590 -8.590 138 3HG2 VAL 17 3HG2 VAL 17 3.163 -9.381 -9.381 139 H ALA 18 H ALA 18 2.320 -12.768 -12.768 140 HA ALA 18 HA ALA 18 2.419 -13.364 -13.364 141 1HB ALA 18 2HB ALA 18 2.985 -15.234 -15.234 142 2HB ALA 18 1HB ALA 18 1.409 -15.047 -15.047 143 3HB ALA 18 3HB ALA 18 1.509 -15.557 -15.557 144 H ASP 19 H ASP 19 -0.202 -14.858 -14.858 145 HA ASP 19 HA ASP 19 -1.976 -12.492 -12.492 146 1HB ASP 19 2HB ASP 19 -3.241 -13.896 -13.896 147 2HB ASP 19 1HB ASP 19 -1.587 -14.440 -14.440 148 H GLY 20 H GLY 20 -3.312 -12.051 -12.051 149 1HA GLY 20 2HA GLY 20 -5.090 -12.866 -12.866 150 2HA GLY 20 1HA GLY 20 -4.096 -14.292 -14.292 151 H VAL 21 H VAL 21 -1.849 -11.937 -11.937 152 HA VAL 21 HA VAL 21 -2.022 -11.605 -11.605 153 HB VAL 21 HB VAL 21 0.243 -11.154 -11.154 154 1HG1 VAL 21 1HG1 VAL 21 0.118 -11.168 -11.168 155 2HG1 VAL 21 3HG1 VAL 21 1.626 -11.240 -11.240 156 3HG1 VAL 21 2HG1 VAL 21 0.582 -9.824 -9.824 157 1HG2 VAL 21 3HG2 VAL 21 -0.726 -13.536 -13.536 158 2HG2 VAL 21 2HG2 VAL 21 0.170 -13.448 -13.448 159 3HG2 VAL 21 1HG2 VAL 21 1.018 -13.260 -13.260 160 H SER 22 H SER 22 -1.103 -9.469 -9.469 161 HA SER 22 HA SER 22 -2.062 -7.203 -7.203 162 1HB SER 22 2HB SER 22 -2.095 -6.485 -6.485 163 2HB SER 22 1HB SER 22 -3.490 -6.854 -6.854 164 HG SER 22 HG SER 22 -3.553 -8.279 -8.279 165 H LEU 23 H LEU 23 -0.819 -5.140 -5.140 166 HA LEU 23 HA LEU 23 2.000 -5.457 -5.457 167 1HB LEU 23 2HB LEU 23 0.362 -3.078 -3.078 168 2HB LEU 23 1HB LEU 23 2.026 -3.021 -3.021 169 HG LEU 23 HG LEU 23 -0.468 -3.635 -3.635 170 1HD1 LEU 23 3HD1 LEU 23 0.529 -1.263 -1.263 171 2HD1 LEU 23 2HD1 LEU 23 1.799 -1.787 -1.787 172 3HD1 LEU 23 1HD1 LEU 23 0.122 -1.736 -1.736 173 1HD2 LEU 23 2HD2 LEU 23 2.363 -4.464 -4.464 174 2HD2 LEU 23 1HD2 LEU 23 0.868 -5.263 -5.263 175 3HD2 LEU 23 3HD2 LEU 23 1.458 -3.869 -3.869 176 H MET 24 H MET 24 -0.210 -5.521 -5.521 177 HA MET 24 HA MET 24 1.895 -4.912 -4.912 178 1HB MET 24 2HB MET 24 -0.322 -4.066 -4.066 179 2HB MET 24 1HB MET 24 -1.028 -5.665 -5.665 180 1HG MET 24 2HG MET 24 1.011 -5.916 -5.916 181 2HG MET 24 1HG MET 24 0.013 -4.533 -4.533 182 1HE MET 24 2HE MET 24 0.169 -6.147 -6.147 183 2HE MET 24 1HE MET 24 -1.480 -5.577 -5.577 184 3HE MET 24 3HE MET 24 -1.111 -7.302 -7.302 185 H GLN 25 H GLN 25 -0.348 -7.586 -7.586 186 HA GLN 25 HA GLN 25 0.528 -9.522 -9.522 187 1HB GLN 25 2HB GLN 25 -1.235 -9.667 -9.667 188 2HB GLN 25 1HB GLN 25 -0.013 -9.700 -9.700 189 1HG GLN 25 2HG GLN 25 0.709 -11.864 -11.864 190 2HG GLN 25 1HG GLN 25 -0.026 -11.768 -11.768 191 1HE2 GLN 25 2HE2 GLN 25 -3.117 -11.804 -11.804 192 2HE2 GLN 25 1HE2 GLN 25 -2.131 -10.439 -10.439 193 H ALA 26 H ALA 26 1.979 -9.355 -9.355 194 HA ALA 26 HA ALA 26 4.143 -11.074 -11.074 195 1HB ALA 26 3HB ALA 26 3.835 -8.587 -8.587 196 2HB ALA 26 2HB ALA 26 5.332 -9.547 -9.547 197 3HB ALA 26 1HB ALA 26 3.787 -10.283 -10.283 198 H ALA 27 H ALA 27 4.180 -7.490 -7.490 199 HA ALA 27 HA ALA 27 6.710 -7.182 -7.182 200 1HB ALA 27 2HB ALA 27 4.635 -5.586 -5.586 201 2HB ALA 27 1HB ALA 27 4.375 -5.606 -5.606 202 3HB ALA 27 3HB ALA 27 5.903 -5.022 -5.022 203 H VAL 28 H VAL 28 3.528 -7.489 -7.489 204 HA VAL 28 HA VAL 28 3.993 -7.718 -7.718 205 HB VAL 28 HB VAL 28 2.113 -8.487 -8.487 206 1HG1 VAL 28 2HG1 VAL 28 2.482 -10.591 -10.591 207 2HG1 VAL 28 1HG1 VAL 28 1.125 -10.508 -10.508 208 3HG1 VAL 28 3HG1 VAL 28 2.749 -10.837 -10.837 209 1HG2 VAL 28 3HG2 VAL 28 1.890 -6.998 -6.998 210 2HG2 VAL 28 2HG2 VAL 28 0.535 -8.081 -8.081 211 3HG2 VAL 28 1HG2 VAL 28 1.669 -8.482 -8.482 212 H SER 29 H SER 29 4.456 -10.361 -10.361 213 HA SER 29 HA SER 29 5.666 -12.139 -12.139 214 1HB SER 29 2HB SER 29 6.267 -12.822 -12.822 215 2HB SER 29 1HB SER 29 5.095 -13.589 -13.589 216 HG SER 29 HG SER 29 3.533 -12.507 -12.507 217 H ASN 30 H ASN 30 6.731 -10.210 -10.210 218 HA ASN 30 HA ASN 30 9.505 -10.838 -10.838 219 1HB ASN 30 2HB ASN 30 7.659 -8.807 -8.807 220 2HB ASN 30 1HB ASN 30 9.322 -8.254 -8.254 221 1HD2 ASN 30 2HD2 ASN 30 8.488 -11.324 -11.324 222 2HD2 ASN 30 1HD2 ASN 30 7.388 -10.960 -10.960 223 H GLY 31 H GLY 31 7.583 -9.261 -9.261 224 1HA GLY 31 2HA GLY 31 8.287 -8.387 -8.387 225 2HA GLY 31 1HA GLY 31 9.957 -8.462 -8.462 226 H ILE 32 H ILE 32 8.892 -6.930 -6.930 227 HA ILE 32 HA ILE 32 9.772 -4.341 -4.341 228 HB ILE 32 HB ILE 32 7.452 -5.043 -5.043 229 1HG1 ILE 32 2HG1 ILE 32 10.393 -5.006 -5.006 230 2HG1 ILE 32 1HG1 ILE 32 9.505 -6.487 -6.487 231 1HG2 ILE 32 1HG2 ILE 32 7.824 -2.635 -2.635 232 2HG2 ILE 32 3HG2 ILE 32 9.519 -2.826 -2.826 233 3HG2 ILE 32 2HG2 ILE 32 8.256 -3.094 -3.094 234 1HD1 ILE 32 3HD1 ILE 32 8.206 -4.659 -4.659 235 2HD1 ILE 32 2HD1 ILE 32 9.681 -5.439 -5.439 236 3HD1 ILE 32 1HD1 ILE 32 8.317 -6.417 -6.417 237 H TYR 33 H TYR 33 6.725 -5.943 -5.943 238 HA TYR 33 HA TYR 33 5.444 -3.493 -3.493 239 1HB TYR 33 2HB TYR 33 4.668 -6.184 -6.184 240 2HB TYR 33 1HB TYR 33 3.563 -5.366 -5.366 241 HD1 TYR 33 2HD TYR 33 5.876 -3.792 -3.792 242 HD2 TYR 33 1HD TYR 33 1.837 -4.788 -4.788 243 HE1 TYR 33 2HE TYR 33 5.079 -2.379 -2.379 244 HE2 TYR 33 1HE TYR 33 1.035 -3.406 -3.406 245 HH TYR 33 HH TYR 33 3.101 -2.142 -2.142 246 H ASP 34 H ASP 34 7.338 -4.150 -4.150 247 HA ASP 34 HA ASP 34 6.350 -6.027 -6.027 248 1HB ASP 34 2HB ASP 34 8.093 -4.959 -4.959 249 2HB ASP 34 1HB ASP 34 8.724 -5.246 -5.246 250 H ILE 35 H ILE 35 4.146 -4.708 -4.708 251 HA ILE 35 HA ILE 35 3.626 -2.236 -2.236 252 HB ILE 35 HB ILE 35 1.428 -2.511 -2.511 253 1HG1 ILE 35 2HG1 ILE 35 2.326 -5.385 -5.385 254 2HG1 ILE 35 1HG1 ILE 35 0.924 -4.786 -4.786 255 1HG2 ILE 35 3HG2 ILE 35 3.667 -3.534 -3.534 256 2HG2 ILE 35 2HG2 ILE 35 2.082 -3.057 -3.057 257 3HG2 ILE 35 1HG2 ILE 35 3.123 -1.867 -1.867 258 1HD1 ILE 35 3HD1 ILE 35 0.422 -3.768 -3.768 259 2HD1 ILE 35 2HD1 ILE 35 1.264 -5.256 -5.256 260 3HD1 ILE 35 1HD1 ILE 35 -0.195 -5.321 -5.321 261 H VAL 36 H VAL 36 0.924 -2.963 -2.963 262 HA VAL 36 HA VAL 36 1.554 -4.564 -4.564 263 HB VAL 36 HB VAL 36 -0.631 -2.499 -2.499 264 1HG1 VAL 36 2HG1 VAL 36 0.550 -4.133 -4.133 265 2HG1 VAL 36 1HG1 VAL 36 0.923 -2.451 -2.451 266 3HG1 VAL 36 3HG1 VAL 36 -0.754 -2.958 -2.958 267 1HG2 VAL 36 3HG2 VAL 36 1.439 -1.436 -1.436 268 2HG2 VAL 36 2HG2 VAL 36 0.962 -0.749 -0.749 269 3HG2 VAL 36 1HG2 VAL 36 2.293 -1.903 -1.903 270 H GLY 37 H GLY 37 -1.441 -4.272 -4.272 271 1HA GLY 37 2HA GLY 37 -2.379 -6.385 -6.385 272 2HA GLY 37 1HA GLY 37 -2.763 -6.412 -6.412 273 H ASP 38 H ASP 38 -3.378 -4.686 -4.686 274 HA ASP 38 HA ASP 38 -5.865 -3.547 -3.547 275 1HB ASP 38 2HB ASP 38 -4.314 -2.467 -2.467 276 2HB ASP 38 1HB ASP 38 -5.537 -1.629 -1.629 277 H CYS 39 H CYS 39 -4.590 -4.097 -4.097 278 HA CYS 39 HA CYS 39 -7.132 -4.783 -4.783 279 1HB CYS 39 2HB CYS 39 -5.555 -5.641 -5.641 280 2HB CYS 39 1HB CYS 39 -5.489 -3.950 -3.950 281 H GLY 40 H GLY 40 -4.900 -6.576 -6.576 282 1HA GLY 40 2HA GLY 40 -4.687 -8.888 -8.888 283 2HA GLY 40 1HA GLY 40 -6.442 -8.907 -8.907 284 H GLY 41 H GLY 41 -4.394 -7.801 -7.801 285 1HA GLY 41 2HA GLY 41 -3.788 -8.783 -8.783 286 2HA GLY 41 1HA GLY 41 -4.194 -10.358 -10.358 287 H SER 42 H SER 42 -6.499 -7.693 -7.693 288 HA SER 42 HA SER 42 -7.950 -8.957 -8.957 289 1HB SER 42 2HB SER 42 -9.863 -9.361 -9.361 290 2HB SER 42 1HB SER 42 -8.548 -9.773 -9.773 291 HG SER 42 HG SER 42 -8.788 -7.819 -7.819 292 H ALA 43 H ALA 43 -6.550 -6.320 -6.320 293 HA ALA 43 HA ALA 43 -6.948 -4.136 -4.136 294 1HB ALA 43 3HB ALA 43 -8.687 -5.871 -5.871 295 2HB ALA 43 2HB ALA 43 -9.743 -4.593 -4.593 296 3HB ALA 43 1HB ALA 43 -8.395 -4.198 -4.198 297 H SER 44 H SER 44 -7.342 -4.536 -4.536 298 HA SER 44 HA SER 44 -9.505 -2.576 -2.576 299 1HB SER 44 2HB SER 44 -9.119 -5.306 -5.306 300 2HB SER 44 1HB SER 44 -9.076 -4.206 -4.206 301 HG SER 44 HG SER 44 -11.209 -4.987 -4.987 302 H CYS 45 H CYS 45 -6.830 -1.794 -1.794 303 HA CYS 45 HA CYS 45 -5.705 -1.494 -1.494 304 1HB CYS 45 2HB CYS 45 -3.593 -0.858 -0.858 305 2HB CYS 45 1HB CYS 45 -4.002 -2.509 -2.509 306 H ALA 46 H ALA 46 -4.596 0.369 0.369 307 HA ALA 46 HA ALA 46 -5.595 2.894 2.894 308 1HB ALA 46 1HB ALA 46 -4.903 2.048 2.048 309 2HB ALA 46 3HB ALA 46 -5.072 3.747 3.747 310 3HB ALA 46 2HB ALA 46 -6.446 2.653 2.653 311 H THR 47 H THR 47 -2.873 0.915 0.915 312 HA THR 47 HA THR 47 -0.970 3.216 3.216 313 HB THR 47 HB THR 47 0.635 1.545 1.545 314 HG1 THR 47 1HG THR 47 -0.800 -0.190 -0.190 315 1HG2 THR 47 1HG2 THR 47 -1.874 2.362 2.362 316 2HG2 THR 47 3HG2 THR 47 -1.047 1.011 1.011 317 3HG2 THR 47 2HG2 THR 47 -0.206 2.544 2.544 318 H CYS 48 H CYS 48 -1.878 0.190 0.190 319 HA CYS 48 HA CYS 48 0.462 0.245 0.245 320 1HB CYS 48 2HB CYS 48 -2.122 -1.074 -1.074 321 2HB CYS 48 1HB CYS 48 -0.481 -1.595 -1.595 322 H HIS 49 H HIS 49 0.019 2.710 2.710 323 HA HIS 49 HA HIS 49 -1.969 3.253 3.253 324 1HB HIS 49 2HB HIS 49 -1.338 4.787 4.787 325 2HB HIS 49 1HB HIS 49 0.179 5.075 5.075 326 HD1 HIS 49 1HD HIS 49 -2.138 7.245 7.245 327 HD2 HIS 49 2HD HIS 49 -1.435 5.127 5.127 328 HE1 HIS 49 1HE HIS 49 -3.156 8.610 8.610 329 H VAL 50 H VAL 50 -1.338 3.244 3.244 330 HA VAL 50 HA VAL 50 1.579 3.353 3.353 331 HB VAL 50 HB VAL 50 1.218 1.386 1.386 332 1HG1 VAL 50 2HG1 VAL 50 0.888 1.160 1.160 333 2HG1 VAL 50 1HG1 VAL 50 0.996 -0.282 -0.282 334 3HG1 VAL 50 3HG1 VAL 50 2.328 0.877 0.877 335 1HG2 VAL 50 1HG2 VAL 50 -1.303 1.772 1.772 336 2HG2 VAL 50 3HG2 VAL 50 -0.777 0.096 0.096 337 3HG2 VAL 50 2HG2 VAL 50 -1.322 0.988 0.988 338 H TYR 51 H TYR 51 2.003 3.939 3.939 339 HA TYR 51 HA TYR 51 -0.316 5.230 5.230 340 1HB TYR 51 2HB TYR 51 2.495 6.010 6.010 341 2HB TYR 51 1HB TYR 51 1.712 6.732 6.732 342 HD1 TYR 51 2HD TYR 51 -1.004 6.095 6.095 343 HD2 TYR 51 1HD TYR 51 2.494 8.619 8.619 344 HE1 TYR 51 2HE TYR 51 -2.175 7.780 7.780 345 HE2 TYR 51 1HE TYR 51 1.301 10.284 10.284 346 HH TYR 51 HH TYR 51 -1.304 10.854 10.854 347 H VAL 52 H VAL 52 -0.756 4.223 4.223 348 HA VAL 52 HA VAL 52 1.412 2.726 2.726 349 HB VAL 52 HB VAL 52 -1.583 2.862 2.862 350 1HG1 VAL 52 2HG1 VAL 52 -0.092 2.082 2.082 351 2HG1 VAL 52 1HG1 VAL 52 0.408 0.747 0.747 352 3HG1 VAL 52 3HG1 VAL 52 -1.280 0.899 0.899 353 1HG2 VAL 52 1HG2 VAL 52 0.153 1.142 1.142 354 2HG2 VAL 52 3HG2 VAL 52 -1.388 1.913 1.913 355 3HG2 VAL 52 2HG2 VAL 52 -1.344 0.494 0.494 356 H ASN 53 H ASN 53 1.460 3.037 3.037 357 HA ASN 53 HA ASN 53 1.280 5.927 5.927 358 1HB ASN 53 2HB ASN 53 2.410 5.105 5.105 359 2HB ASN 53 1HB ASN 53 3.291 4.750 4.750 360 1HD2 ASN 53 2HD2 ASN 53 3.200 1.592 1.592 361 2HD2 ASN 53 1HD2 ASN 53 3.895 3.124 3.124 362 H GLU 54 H GLU 54 -0.252 6.784 6.784 363 HA GLU 54 HA GLU 54 -2.773 5.830 5.830 364 1HB GLU 54 2HB GLU 54 -2.699 7.214 7.214 365 2HB GLU 54 1HB GLU 54 -2.142 8.031 8.031 366 1HG GLU 54 2HG GLU 54 -0.030 8.225 8.225 367 2HG GLU 54 1HG GLU 54 -0.007 6.556 6.556 368 H ALA 55 H ALA 55 0.069 4.690 4.690 369 HA ALA 55 HA ALA 55 -1.300 3.412 3.412 370 1HB ALA 55 2HB ALA 55 1.374 3.103 3.103 371 2HB ALA 55 1HB ALA 55 0.931 2.116 2.116 372 3HB ALA 55 3HB ALA 55 1.022 3.870 3.870 373 H PHE 56 H PHE 56 -0.968 2.504 2.504 374 HA PHE 56 HA PHE 56 -2.087 -0.193 -0.193 375 1HB PHE 56 2HB PHE 56 -0.023 0.576 0.576 376 2HB PHE 56 1HB PHE 56 -0.670 -1.053 -1.053 377 HD1 PHE 56 1HD PHE 56 1.046 1.705 1.705 378 HD2 PHE 56 2HD PHE 56 0.307 -2.549 -2.549 379 HE1 PHE 56 1HE PHE 56 2.624 1.385 1.385 380 HE2 PHE 56 2HE PHE 56 1.884 -2.833 -2.833 381 HZ PHE 56 HZ PHE 56 3.043 -0.885 -0.885 382 H THR 57 H THR 57 -2.400 2.689 2.689 383 HA THR 57 HA THR 57 -4.070 1.472 1.472 384 HB THR 57 HB THR 57 -3.925 3.542 3.542 385 HG1 THR 57 1HG THR 57 -5.324 4.662 4.662 386 1HG2 THR 57 3HG2 THR 57 -1.637 3.101 3.101 387 2HG2 THR 57 2HG2 THR 57 -2.115 4.707 4.707 388 3HG2 THR 57 1HG2 THR 57 -1.849 4.412 4.412 389 H ASP 58 H ASP 58 -4.468 2.791 2.791 390 HA ASP 58 HA ASP 58 -7.367 3.235 3.235 391 1HB ASP 58 2HB ASP 58 -7.148 4.204 4.204 392 2HB ASP 58 1HB ASP 58 -5.549 4.473 4.473 393 H LYS 59 H LYS 59 -5.196 0.706 0.706 394 HA LYS 59 HA LYS 59 -7.177 -0.812 -0.812 395 1HB LYS 59 2HB LYS 59 -4.432 -1.355 -1.355 396 2HB LYS 59 1HB LYS 59 -5.310 -2.540 -2.540 397 1HG LYS 59 2HG LYS 59 -4.569 0.257 0.257 398 2HG LYS 59 1HG LYS 59 -3.730 -1.221 -1.221 399 1HD LYS 59 2HD LYS 59 -6.414 -1.777 -1.777 400 2HD LYS 59 1HD LYS 59 -6.215 -0.102 -0.102 401 1HE LYS 59 2HE LYS 59 -3.966 -1.114 -1.114 402 2HE LYS 59 1HE LYS 59 -4.968 -2.580 -2.580 403 1HZ LYS 59 3HZ LYS 59 -6.772 -1.201 -1.201 404 2HZ LYS 59 2HZ LYS 59 -5.675 0.088 0.088 405 3HZ LYS 59 1HZ LYS 59 -5.425 -1.344 -1.344 406 H VAL 60 H VAL 60 -5.610 -1.111 -1.111 407 HA VAL 60 HA VAL 60 -6.733 -3.403 -3.403 408 HB VAL 60 HB VAL 60 -6.589 -2.012 -2.012 409 1HG1 VAL 60 2HG1 VAL 60 -4.451 -2.531 -2.531 410 2HG1 VAL 60 1HG1 VAL 60 -4.030 -1.506 -1.506 411 3HG1 VAL 60 3HG1 VAL 60 -4.623 -3.144 -3.144 412 1HG2 VAL 60 3HG2 VAL 60 -7.097 0.130 0.130 413 2HG2 VAL 60 2HG2 VAL 60 -5.860 0.225 0.225 414 3HG2 VAL 60 1HG2 VAL 60 -5.389 0.070 0.070 415 HA PRO 61 HA PRO 61 -11.077 -2.874 -2.874 416 1HB PRO 61 2HB PRO 61 -11.584 -3.881 -3.881 417 2HB PRO 61 1HB PRO 61 -11.202 -4.887 -4.887 418 1HG PRO 61 2HG PRO 61 -9.410 -3.964 -3.964 419 2HG PRO 61 1HG PRO 61 -9.519 -5.560 -5.560 420 1HD PRO 61 2HD PRO 61 -7.566 -3.822 -3.822 421 2HD PRO 61 1HD PRO 61 -8.290 -4.909 -4.909 422 H ALA 62 H ALA 62 -12.761 -1.832 -1.832 423 HA ALA 62 HA ALA 62 -11.989 0.762 0.762 424 1HB ALA 62 2HB ALA 62 -14.041 -0.427 -0.427 425 2HB ALA 62 1HB ALA 62 -14.800 -0.010 -0.010 426 3HB ALA 62 3HB ALA 62 -14.015 1.243 1.243 427 H ALA 63 H ALA 63 -11.715 1.143 1.143 428 HA ALA 63 HA ALA 63 -12.548 -0.836 -0.836 429 1HB ALA 63 1HB ALA 63 -10.464 1.018 1.018 430 2HB ALA 63 3HB ALA 63 -11.393 1.639 1.639 431 3HB ALA 63 2HB ALA 63 -10.724 0.005 0.005 432 H ASN 64 H ASN 64 -13.769 -0.130 -0.130 433 HA ASN 64 HA ASN 64 -15.855 1.890 1.890 434 1HB ASN 64 2HB ASN 64 -16.906 0.745 0.745 435 2HB ASN 64 1HB ASN 64 -16.886 -0.126 -0.126 436 1HD2 ASN 64 2HD2 ASN 64 -13.914 -1.265 -1.265 437 2HD2 ASN 64 1HD2 ASN 64 -14.183 0.387 0.387 438 H GLU 65 H GLU 65 -16.740 2.607 2.607 439 HA GLU 65 HA GLU 65 -14.972 4.693 4.693 440 1HB GLU 65 2HB GLU 65 -16.610 5.042 5.042 441 2HB GLU 65 1HB GLU 65 -17.494 4.361 4.361 442 1HG GLU 65 2HG GLU 65 -16.953 2.062 2.062 443 2HG GLU 65 1HG GLU 65 -16.720 3.053 3.053 444 H ARG 66 H ARG 66 -15.120 1.316 1.316 445 HA ARG 66 HA ARG 66 -13.739 1.497 1.497 446 1HB ARG 66 2HB ARG 66 -14.763 -0.470 -0.470 447 2HB ARG 66 1HB ARG 66 -13.101 -0.913 -0.913 448 1HG ARG 66 2HG ARG 66 -13.682 -0.564 -0.564 449 2HG ARG 66 1HG ARG 66 -15.367 -0.389 -0.389 450 1HD ARG 66 2HD ARG 66 -13.649 -2.822 -2.822 451 2HD ARG 66 1HD ARG 66 -14.846 -2.731 -2.731 452 HE ARG 66 HE ARG 66 -16.147 -1.867 -1.867 453 1HH1 ARG 66 1HH1 ARG 66 -16.597 -4.321 -4.321 454 2HH1 ARG 66 2HH1 ARG 66 -16.713 -5.585 -5.585 455 1HH2 ARG 66 1HH2 ARG 66 -15.447 -3.654 -3.654 456 2HH2 ARG 66 2HH2 ARG 66 -16.063 -5.207 -5.207 457 H GLU 67 H GLU 67 -12.686 1.965 1.965 458 HA GLU 67 HA GLU 67 -9.823 1.455 1.455 459 1HB GLU 67 2HB GLU 67 -10.298 0.500 0.500 460 2HB GLU 67 1HB GLU 67 -11.539 1.690 1.690 461 1HG GLU 67 2HG GLU 67 -9.675 2.108 2.108 462 2HG GLU 67 1HG GLU 67 -9.679 3.398 3.398 463 H ILE 68 H ILE 68 -12.070 3.948 3.948 464 HA ILE 68 HA ILE 68 -10.246 6.086 6.086 465 HB ILE 68 HB ILE 68 -13.106 5.773 5.773 466 1HG1 ILE 68 2HG1 ILE 68 -13.557 6.621 6.621 467 2HG1 ILE 68 1HG1 ILE 68 -11.903 7.198 7.198 468 1HG2 ILE 68 1HG2 ILE 68 -12.175 7.806 7.806 469 2HG2 ILE 68 3HG2 ILE 68 -11.764 8.454 8.454 470 3HG2 ILE 68 2HG2 ILE 68 -13.451 8.161 8.161 471 1HD1 ILE 68 3HD1 ILE 68 -12.494 4.270 4.270 472 2HD1 ILE 68 2HD1 ILE 68 -12.532 4.978 4.978 473 3HD1 ILE 68 1HD1 ILE 68 -11.041 5.005 5.005 474 H GLY 69 H GLY 69 -12.092 5.500 5.500 475 1HA GLY 69 2HA GLY 69 -10.428 7.380 7.380 476 2HA GLY 69 1HA GLY 69 -11.609 6.294 6.294 477 H MET 70 H MET 70 -10.646 3.839 3.839 478 HA MET 70 HA MET 70 -8.689 3.069 3.069 479 1HB MET 70 2HB MET 70 -10.083 2.084 2.084 480 2HB MET 70 1HB MET 70 -8.412 1.823 1.823 481 1HG MET 70 2HG MET 70 -8.114 0.349 0.349 482 2HG MET 70 1HG MET 70 -9.475 1.014 1.014 483 1HE MET 70 3HE MET 70 -8.791 0.240 0.240 484 2HE MET 70 2HE MET 70 -8.332 -1.356 -1.356 485 3HE MET 70 1HE MET 70 -9.746 -1.212 -1.212 486 H LEU 71 H LEU 71 -8.363 3.775 3.775 487 HA LEU 71 HA LEU 71 -5.508 3.715 3.715 488 1HB LEU 71 2HB LEU 71 -7.363 3.259 3.259 489 2HB LEU 71 1HB LEU 71 -7.715 4.994 4.994 490 HG LEU 71 HG LEU 71 -5.504 3.518 3.518 491 1HD1 LEU 71 2HD1 LEU 71 -7.557 5.477 5.477 492 2HD1 LEU 71 1HD1 LEU 71 -5.984 6.055 6.055 493 3HD1 LEU 71 3HD1 LEU 71 -6.605 4.505 4.505 494 1HD2 LEU 71 2HD2 LEU 71 -5.096 6.302 6.302 495 2HD2 LEU 71 1HD2 LEU 71 -4.211 4.853 4.853 496 3HD2 LEU 71 3HD2 LEU 71 -4.020 5.504 5.504 497 H GLU 72 H GLU 72 -7.900 6.265 6.265 498 HA GLU 72 HA GLU 72 -5.815 8.372 8.372 499 1HB GLU 72 2HB GLU 72 -7.906 8.999 8.999 500 2HB GLU 72 1HB GLU 72 -8.814 8.273 8.273 501 1HG GLU 72 2HG GLU 72 -8.468 10.058 10.058 502 2HG GLU 72 1HG GLU 72 -6.869 10.408 10.408 503 H CYS 73 H CYS 73 -6.532 6.031 6.031 504 HA CYS 73 HA CYS 73 -7.147 7.182 7.182 505 1HB CYS 73 2HB CYS 73 -5.359 4.962 4.962 506 2HB CYS 73 1HB CYS 73 -5.347 5.383 5.383 507 HG CYS 73 HG CYS 73 -7.477 4.156 4.156 508 H VAL 74 H VAL 74 -3.939 6.913 6.913 509 HA VAL 74 HA VAL 74 -2.793 8.803 8.803 510 HB VAL 74 HB VAL 74 -0.704 8.119 8.119 511 1HG1 VAL 74 3HG1 VAL 74 -2.654 6.247 6.247 512 2HG1 VAL 74 2HG1 VAL 74 -1.747 5.483 5.483 513 3HG1 VAL 74 1HG1 VAL 74 -0.899 6.118 6.118 514 1HG2 VAL 74 3HG2 VAL 74 -2.458 7.156 7.156 515 2HG2 VAL 74 2HG2 VAL 74 -1.129 8.312 8.312 516 3HG2 VAL 74 1HG2 VAL 74 -0.795 6.602 6.602 517 H THR 75 H THR 75 -3.188 10.937 10.937 518 HA THR 75 HA THR 75 -4.162 12.112 12.112 519 HB THR 75 HB THR 75 -3.863 13.160 13.160 520 HG1 THR 75 1HG THR 75 -4.129 14.466 14.466 521 1HG2 THR 75 1HG2 THR 75 -1.164 12.366 12.366 522 2HG2 THR 75 3HG2 THR 75 -1.184 14.128 14.128 523 3HG2 THR 75 2HG2 THR 75 -1.845 13.158 13.158 524 H ALA 76 H ALA 76 -3.124 11.131 11.131 525 HA ALA 76 HA ALA 76 -0.361 12.173 12.173 526 1HB ALA 76 2HB ALA 76 -1.275 9.530 9.530 527 2HB ALA 76 1HB ALA 76 -1.149 9.806 9.806 528 3HB ALA 76 3HB ALA 76 0.259 10.045 10.045 529 H GLU 77 H GLU 77 -2.678 13.657 13.657 530 HA GLU 77 HA GLU 77 -3.948 14.523 14.523 531 1HB GLU 77 2HB GLU 77 -2.393 15.227 15.227 532 2HB GLU 77 1HB GLU 77 -1.687 15.490 15.490 533 1HG GLU 77 2HG GLU 77 -0.312 13.537 13.537 534 2HG GLU 77 1HG GLU 77 -1.178 12.989 12.989 535 H LEU 78 H LEU 78 -4.865 12.138 12.138 536 HA LEU 78 HA LEU 78 -4.578 10.021 10.021 537 1HB LEU 78 2HB LEU 78 -6.588 11.253 11.253 538 2HB LEU 78 1HB LEU 78 -7.229 11.252 11.252 539 HG LEU 78 HG LEU 78 -6.595 8.797 8.797 540 1HD1 LEU 78 3HD1 LEU 78 -5.738 9.461 9.461 541 2HD1 LEU 78 2HD1 LEU 78 -6.644 7.955 7.955 542 3HD1 LEU 78 1HD1 LEU 78 -5.161 8.197 8.197 543 1HD2 LEU 78 2HD2 LEU 78 -8.717 10.010 10.010 544 2HD2 LEU 78 1HD2 LEU 78 -8.860 8.960 8.960 545 3HD2 LEU 78 3HD2 LEU 78 -8.484 8.271 8.271 546 H LYS 79 H LYS 79 -4.402 9.603 9.603 547 HA LYS 79 HA LYS 79 -4.919 11.856 11.856 548 1HB LYS 79 2HB LYS 79 -3.282 9.408 9.408 549 2HB LYS 79 1HB LYS 79 -3.140 11.002 11.002 550 1HG LYS 79 2HG LYS 79 -2.476 11.908 11.908 551 2HG LYS 79 1HG LYS 79 -2.419 10.241 10.241 552 1HD LYS 79 2HD LYS 79 -0.755 11.474 11.474 553 2HD LYS 79 1HD LYS 79 -0.190 10.784 10.784 554 1HE LYS 79 2HE LYS 79 -1.003 8.583 8.583 555 2HE LYS 79 1HE LYS 79 -1.607 9.262 9.262 556 1HZ LYS 79 1HZ LYS 79 1.216 9.516 9.516 557 2HZ LYS 79 3HZ LYS 79 0.689 8.277 8.277 558 3HZ LYS 79 2HZ LYS 79 0.579 9.897 9.897 559 HA PRO 80 HA PRO 80 -8.006 9.554 9.554 560 1HB PRO 80 2HB PRO 80 -7.240 9.567 9.567 561 2HB PRO 80 1HB PRO 80 -7.923 10.984 10.984 562 1HG PRO 80 2HG PRO 80 -5.072 10.314 10.314 563 2HG PRO 80 1HG PRO 80 -5.911 11.868 11.868 564 1HD PRO 80 2HD PRO 80 -4.325 11.284 11.284 565 2HD PRO 80 1HD PRO 80 -5.775 12.292 12.292 566 H ASN 81 H ASN 81 -4.677 8.581 8.581 567 HA ASN 81 HA ASN 81 -5.616 5.831 5.831 568 1HB ASN 81 2HB ASN 81 -3.201 5.556 5.556 569 2HB ASN 81 1HB ASN 81 -4.016 6.828 6.828 570 1HD2 ASN 81 2HD2 ASN 81 -0.718 7.796 7.796 571 2HD2 ASN 81 1HD2 ASN 81 -1.129 6.249 6.249 572 H SER 82 H SER 82 -4.444 7.636 7.636 573 HA SER 82 HA SER 82 -2.748 5.897 5.897 574 1HB SER 82 2HB SER 82 -5.153 7.443 7.443 575 2HB SER 82 1HB SER 82 -3.788 6.903 6.903 576 HG SER 82 HG SER 82 -2.676 8.158 8.158 577 H ARG 83 H ARG 83 -3.132 4.104 4.104 578 HA ARG 83 HA ARG 83 -5.848 2.963 2.963 579 1HB ARG 83 2HB ARG 83 -3.723 2.093 2.093 580 2HB ARG 83 1HB ARG 83 -4.489 0.792 0.792 581 1HG ARG 83 2HG ARG 83 -6.162 2.874 2.874 582 2HG ARG 83 1HG ARG 83 -5.527 1.485 1.485 583 1HD ARG 83 2HD ARG 83 -6.558 0.323 0.323 584 2HD ARG 83 1HD ARG 83 -7.737 1.596 1.596 585 HE ARG 83 HE ARG 83 -6.969 -0.623 -0.623 586 1HH1 ARG 83 1HH2 ARG 83 -7.839 2.506 2.506 587 2HH1 ARG 83 2HH2 ARG 83 -9.362 2.174 2.174 588 1HH2 ARG 83 1HH1 ARG 83 -9.342 -1.191 -1.191 589 2HH2 ARG 83 2HH1 ARG 83 -10.212 0.079 0.079 590 H LEU 84 H LEU 84 -5.933 1.329 1.329 591 HA LEU 84 HA LEU 84 -3.788 1.415 1.415 592 1HB LEU 84 2HB LEU 84 -6.538 0.627 0.627 593 2HB LEU 84 1HB LEU 84 -5.620 -0.795 -0.795 594 HG LEU 84 HG LEU 84 -5.800 1.868 1.868 595 1HD1 LEU 84 1HD1 LEU 84 -6.738 -0.898 -0.898 596 2HD1 LEU 84 3HD1 LEU 84 -6.009 -0.216 -0.216 597 3HD1 LEU 84 2HD1 LEU 84 -7.376 0.598 0.598 598 1HD2 LEU 84 2HD2 LEU 84 -3.628 -0.176 -0.176 599 2HD2 LEU 84 1HD2 LEU 84 -3.541 1.549 1.549 600 3HD2 LEU 84 3HD2 LEU 84 -4.141 0.417 0.417 601 H SER 85 H SER 85 -2.041 0.058 0.058 602 HA SER 85 HA SER 85 -1.209 -1.419 -1.419 603 1HB SER 85 2HB SER 85 -0.600 -2.513 -2.513 604 2HB SER 85 1HB SER 85 0.473 -2.127 -2.127 605 HG SER 85 HG SER 85 0.798 -0.507 -0.507 606 H CYS 86 H CYS 86 -3.718 -2.440 -2.440 607 HA CYS 86 HA CYS 86 -3.549 -5.194 -5.194 608 1HB CYS 86 2HB CYS 86 -5.092 -4.257 -4.257 609 2HB CYS 86 1HB CYS 86 -4.673 -5.910 -5.910 610 H GLN 87 H GLN 87 -4.619 -3.098 -3.098 611 HA GLN 87 HA GLN 87 -7.499 -3.897 -3.897 612 1HB GLN 87 2HB GLN 87 -6.325 -1.300 -1.300 613 2HB GLN 87 1HB GLN 87 -8.012 -1.665 -1.665 614 1HG GLN 87 2HG GLN 87 -5.929 -1.793 -1.793 615 2HG GLN 87 1HG GLN 87 -6.685 -0.279 -0.279 616 1HE2 GLN 87 2HE2 GLN 87 -8.615 -2.518 -2.518 617 2HE2 GLN 87 1HE2 GLN 87 -6.936 -2.429 -2.429 618 H ILE 88 H ILE 88 -4.717 -2.713 -2.713 619 HA ILE 88 HA ILE 88 -5.903 -3.433 -3.433 620 HB ILE 88 HB ILE 88 -3.013 -3.040 -3.040 621 1HG1 ILE 88 2HG1 ILE 88 -4.751 -0.928 -0.928 622 2HG1 ILE 88 1HG1 ILE 88 -3.299 -1.681 -1.681 623 1HG2 ILE 88 1HG2 ILE 88 -5.144 -2.630 -2.630 624 2HG2 ILE 88 3HG2 ILE 88 -4.795 -0.989 -0.989 625 3HG2 ILE 88 2HG2 ILE 88 -3.537 -1.945 -1.945 626 1HD1 ILE 88 1HD1 ILE 88 -3.383 0.065 0.065 627 2HD1 ILE 88 3HD1 ILE 88 -2.807 0.577 0.577 628 3HD1 ILE 88 2HD1 ILE 88 -1.939 -0.672 -0.672 629 H ILE 89 H ILE 89 -5.379 -5.206 -5.206 630 HA ILE 89 HA ILE 89 -3.808 -7.362 -7.362 631 HB ILE 89 HB ILE 89 -6.149 -7.281 -7.281 632 1HG1 ILE 89 2HG1 ILE 89 -6.821 -7.200 -7.200 633 2HG1 ILE 89 1HG1 ILE 89 -7.047 -8.875 -8.875 634 1HG2 ILE 89 2HG2 ILE 89 -4.476 -8.946 -8.946 635 2HG2 ILE 89 1HG2 ILE 89 -4.542 -9.728 -9.728 636 3HG2 ILE 89 3HG2 ILE 89 -5.974 -9.697 -9.697 637 1HD1 ILE 89 1HD1 ILE 89 -4.682 -9.301 -9.301 638 2HD1 ILE 89 3HD1 ILE 89 -4.808 -7.717 -7.717 639 3HD1 ILE 89 2HD1 ILE 89 -5.936 -9.000 -9.000 640 H MET 90 H MET 90 -2.454 -8.684 -8.684 641 HA MET 90 HA MET 90 -1.470 -7.090 -7.090 642 1HB MET 90 2HB MET 90 -0.188 -7.994 -7.994 643 2HB MET 90 1HB MET 90 0.129 -9.311 -9.311 644 1HG MET 90 2HG MET 90 1.892 -7.552 -7.552 645 2HG MET 90 1HG MET 90 1.074 -7.755 -7.755 646 1HE MET 90 1HE MET 90 0.631 -6.359 -6.359 647 2HE MET 90 3HE MET 90 -0.867 -5.476 -5.476 648 3HE MET 90 2HE MET 90 0.654 -4.602 -4.602 649 H THR 91 H THR 91 -2.586 -7.918 -7.918 650 HA THR 91 HA THR 91 -2.874 -10.873 -10.873 651 HB THR 91 HB THR 91 -4.167 -9.832 -9.832 652 HG1 THR 91 1HG THR 91 -5.098 -7.820 -7.820 653 1HG2 THR 91 2HG2 THR 91 -5.129 -9.782 -9.782 654 2HG2 THR 91 1HG2 THR 91 -6.181 -9.703 -9.703 655 3HG2 THR 91 3HG2 THR 91 -5.220 -11.151 -11.151 656 HA PRO 92 HA PRO 92 0.232 -11.184 -11.184 657 1HB PRO 92 2HB PRO 92 -0.896 -12.859 -12.859 658 2HB PRO 92 1HB PRO 92 -0.326 -13.406 -13.406 659 1HG PRO 92 2HG PRO 92 -3.091 -12.854 -12.854 660 2HG PRO 92 1HG PRO 92 -2.495 -14.087 -14.087 661 1HD PRO 92 2HD PRO 92 -3.746 -11.766 -11.766 662 2HD PRO 92 1HD PRO 92 -2.634 -12.697 -12.697 663 H GLU 93 H GLU 93 -2.584 -9.513 -9.513 664 HA GLU 93 HA GLU 93 -1.757 -8.765 -8.765 665 1HB GLU 93 2HB GLU 93 -4.159 -7.803 -7.803 666 2HB GLU 93 1HB GLU 93 -4.002 -9.560 -9.560 667 1HG GLU 93 2HG GLU 93 -4.535 -9.731 -9.731 668 2HG GLU 93 1HG GLU 93 -4.167 -8.034 -8.034 669 H LEU 94 H LEU 94 -2.473 -7.556 -7.556 670 HA LEU 94 HA LEU 94 -1.946 -4.739 -4.739 671 1HB LEU 94 2HB LEU 94 -2.571 -5.952 -5.952 672 2HB LEU 94 1HB LEU 94 -2.755 -4.270 -4.270 673 HG LEU 94 HG LEU 94 -4.406 -6.652 -6.652 674 1HD1 LEU 94 2HD1 LEU 94 -5.045 -3.826 -3.826 675 2HD1 LEU 94 1HD1 LEU 94 -6.240 -5.073 -5.073 676 3HD1 LEU 94 3HD1 LEU 94 -5.137 -5.274 -5.274 677 1HD2 LEU 94 3HD2 LEU 94 -3.619 -5.507 -5.507 678 2HD2 LEU 94 2HD2 LEU 94 -5.365 -5.375 -5.375 679 3HD2 LEU 94 1HD2 LEU 94 -4.316 -4.005 -4.005 680 H ASP 95 H ASP 95 0.123 -6.731 -6.731 681 HA ASP 95 HA ASP 95 1.851 -6.321 -6.321 682 1HB ASP 95 2HB ASP 95 3.024 -8.119 -8.119 683 2HB ASP 95 1HB ASP 95 1.407 -8.408 -8.408 684 H GLY 96 H GLY 96 3.967 -5.423 -5.423 685 1HA GLY 96 2HA GLY 96 5.720 -4.119 -4.119 686 2HA GLY 96 1HA GLY 96 4.597 -3.748 -3.748 687 H ILE 97 H ILE 97 3.446 -3.628 -3.628 688 HA ILE 97 HA ILE 97 2.690 -0.845 -0.845 689 HB ILE 97 HB ILE 97 1.237 -2.512 -2.512 690 1HG1 ILE 97 2HG1 ILE 97 1.591 0.008 0.008 691 2HG1 ILE 97 1HG1 ILE 97 0.393 -1.078 -1.078 692 1HG2 ILE 97 3HG2 ILE 97 3.664 -2.972 -2.972 693 2HG2 ILE 97 2HG2 ILE 97 2.101 -3.147 -3.147 694 3HG2 ILE 97 1HG2 ILE 97 2.483 -4.129 -4.129 695 1HD1 ILE 97 3HD1 ILE 97 3.146 -1.222 -1.222 696 2HD1 ILE 97 2HD1 ILE 97 2.213 0.229 0.229 697 3HD1 ILE 97 1HD1 ILE 97 1.588 -1.359 -1.359 698 H VAL 98 H VAL 98 3.238 0.876 0.876 699 HA VAL 98 HA VAL 98 5.868 0.612 0.612 700 HB VAL 98 HB VAL 98 4.533 3.070 3.070 701 1HG1 VAL 98 2HG1 VAL 98 7.394 2.475 2.475 702 2HG1 VAL 98 1HG1 VAL 98 6.829 3.984 3.984 703 3HG1 VAL 98 3HG1 VAL 98 6.263 3.501 3.501 704 1HG2 VAL 98 2HG2 VAL 98 5.054 1.205 1.205 705 2HG2 VAL 98 1HG2 VAL 98 5.840 2.752 2.752 706 3HG2 VAL 98 3HG2 VAL 98 6.753 1.433 1.433 707 H VAL 99 H VAL 99 5.636 0.808 0.808 708 HA VAL 99 HA VAL 99 3.091 2.009 2.009 709 HB VAL 99 HB VAL 99 5.136 0.739 0.739 710 1HG1 VAL 99 2HG1 VAL 99 2.232 1.192 1.192 711 2HG1 VAL 99 1HG1 VAL 99 2.718 -0.380 -0.380 712 3HG1 VAL 99 3HG1 VAL 99 3.341 1.100 1.100 713 1HG2 VAL 99 1HG2 VAL 99 3.817 -0.596 -0.596 714 2HG2 VAL 99 3HG2 VAL 99 5.315 -0.977 -0.977 715 3HG2 VAL 99 2HG2 VAL 99 3.771 -1.447 -1.447 716 H ASP 100 H ASP 100 3.619 2.851 2.851 717 HA ASP 100 HA ASP 100 6.126 4.238 4.238 718 1HB ASP 100 2HB ASP 100 3.603 5.699 5.699 719 2HB ASP 100 1HB ASP 100 4.916 6.495 6.495 720 H VAL 101 H VAL 101 6.470 4.414 4.414 721 HA VAL 101 HA VAL 101 4.217 3.849 3.849 722 HB VAL 101 HB VAL 101 7.229 4.101 4.101 723 1HG1 VAL 101 2HG1 VAL 101 5.317 4.607 4.607 724 2HG1 VAL 101 1HG1 VAL 101 5.839 2.947 2.947 725 3HG1 VAL 101 3HG1 VAL 101 7.026 4.251 4.251 726 1HG2 VAL 101 3HG2 VAL 101 5.775 2.020 2.020 727 2HG2 VAL 101 2HG2 VAL 101 7.261 1.797 1.797 728 3HG2 VAL 101 1HG2 VAL 101 5.698 1.655 1.655 729 HA PRO 102 HA PRO 102 3.760 8.295 8.295 730 1HB PRO 102 2HB PRO 102 1.593 8.279 8.279 731 2HB PRO 102 1HB PRO 102 1.486 7.951 7.951 732 1HG PRO 102 2HG PRO 102 1.605 6.024 6.024 733 2HG PRO 102 1HG PRO 102 0.564 6.006 6.006 734 1HD PRO 102 2HD PRO 102 2.740 4.451 4.451 735 2HD PRO 102 1HD PRO 102 2.243 5.196 5.196 736 H ASP 103 H ASP 103 4.699 9.767 9.767 737 HA ASP 103 HA ASP 103 5.329 8.904 8.904 738 1HB ASP 103 2HB ASP 103 7.015 9.606 9.606 739 2HB ASP 103 1HB ASP 103 6.674 11.208 11.208 740 H ARG 104 H ARG 104 3.936 9.876 9.876 741 HA ARG 104 HA ARG 104 2.930 12.611 12.611 742 1HB ARG 104 2HB ARG 104 1.567 11.275 11.275 743 2HB ARG 104 1HB ARG 104 0.898 11.910 11.910 744 1HG ARG 104 2HG ARG 104 0.445 9.729 9.729 745 2HG ARG 104 1HG ARG 104 2.137 9.633 9.633 746 1HD ARG 104 2HD ARG 104 0.861 8.822 8.822 747 2HD ARG 104 1HD ARG 104 1.882 7.850 7.850 748 HE ARG 104 HE ARG 104 3.115 10.277 10.277 749 1HH1 ARG 104 1HH1 ARG 104 3.982 7.381 7.381 750 2HH1 ARG 104 2HH1 ARG 104 4.848 6.819 6.819 751 1HH2 ARG 104 1HH2 ARG 104 3.676 9.338 9.338 752 2HH2 ARG 104 2HH2 ARG 104 4.675 7.927 7.927 753 H GLN 105 H GLN 105 5.184 13.240 13.240 754 HA GLN 105 HA GLN 105 5.254 13.226 13.226 755 1HB GLN 105 2HB GLN 105 7.147 12.436 12.436 756 2HB GLN 105 1HB GLN 105 7.426 14.157 14.157 757 1HG GLN 105 2HG GLN 105 7.128 13.505 13.505 758 2HG GLN 105 1HG GLN 105 8.477 12.650 12.650 759 1HE2 GLN 105 2HE2 GLN 105 9.946 15.899 15.899 760 2HE2 GLN 105 1HE2 GLN 105 9.444 14.476 14.476 761 H TRP 106 H TRP 106 3.385 14.984 14.984 762 HA TRP 106 HA TRP 106 4.687 17.666 17.666 763 1HB TRP 106 2HB TRP 106 2.787 16.439 16.439 764 2HB TRP 106 1HB TRP 106 2.059 17.855 17.855 765 HD1 TRP 106 HD TRP 106 4.138 16.957 16.957 766 HE1 TRP 106 1HE TRP 106 5.409 19.001 19.001 767 HE3 TRP 106 3HE TRP 106 3.472 20.230 20.230 768 HZ2 TRP 106 2HZ TRP 106 6.059 21.673 21.673 769 HZ3 TRP 106 3HZ TRP 106 4.426 22.516 22.516 770 HH2 TRP 106 HH TRP 106 5.718 23.240 23.240 Start of MODEL 18 1 1H SER 1 3HT SER 1 2.804 -11.030 -11.030 2 2H SER 1 2HT SER 1 1.437 -11.105 -11.105 3 3H SER 1 1HT SER 1 2.926 -11.719 -11.719 4 HA SER 1 HA SER 1 2.959 -9.708 -9.708 5 1HB SER 1 2HB SER 1 1.854 -8.067 -8.067 6 2HB SER 1 1HB SER 1 1.345 -8.179 -8.179 7 HG SER 1 HG SER 1 -0.005 -9.768 -9.768 8 H LYS 2 H LYS 2 4.494 -7.954 -7.954 9 HA LYS 2 HA LYS 2 6.477 -8.320 -8.320 10 1HB LYS 2 2HB LYS 2 6.734 -8.013 -8.013 11 2HB LYS 2 1HB LYS 2 6.672 -6.300 -6.300 12 1HG LYS 2 2HG LYS 2 8.441 -7.021 -7.021 13 2HG LYS 2 1HG LYS 2 8.727 -8.363 -8.363 14 1HD LYS 2 2HD LYS 2 8.952 -6.615 -6.615 15 2HD LYS 2 1HD LYS 2 9.001 -5.404 -5.404 16 1HE LYS 2 2HE LYS 2 10.867 -7.004 -7.004 17 2HE LYS 2 1HE LYS 2 11.024 -7.508 -7.508 18 1HZ LYS 2 2HZ LYS 2 10.789 -4.648 -4.648 19 2HZ LYS 2 1HZ LYS 2 12.293 -5.411 -5.411 20 3HZ LYS 2 3HZ LYS 2 11.558 -5.399 -5.399 21 H VAL 3 H VAL 3 6.321 -6.996 -6.996 22 HA VAL 3 HA VAL 3 5.087 -4.303 -4.303 23 HB VAL 3 HB VAL 3 4.768 -6.394 -6.394 24 1HG1 VAL 3 3HG1 VAL 3 4.342 -3.404 -3.404 25 2HG1 VAL 3 2HG1 VAL 3 3.701 -4.645 -4.645 26 3HG1 VAL 3 1HG1 VAL 3 5.443 -4.446 -4.446 27 1HG2 VAL 3 3HG2 VAL 3 3.080 -4.813 -4.813 28 2HG2 VAL 3 2HG2 VAL 3 2.916 -6.490 -6.490 29 3HG2 VAL 3 1HG2 VAL 3 2.376 -5.186 -5.186 30 H VAL 4 H VAL 4 6.130 -2.570 -2.570 31 HA VAL 4 HA VAL 4 8.606 -3.175 -3.175 32 HB VAL 4 HB VAL 4 8.159 -1.366 -1.366 33 1HG1 VAL 4 3HG1 VAL 4 10.011 -1.039 -1.039 34 2HG1 VAL 4 2HG1 VAL 4 10.734 -0.861 -0.861 35 3HG1 VAL 4 1HG1 VAL 4 9.386 0.170 0.170 36 1HG2 VAL 4 3HG2 VAL 4 9.558 -3.862 -3.862 37 2HG2 VAL 4 2HG2 VAL 4 9.159 -3.127 -3.127 38 3HG2 VAL 4 1HG2 VAL 4 10.630 -2.652 -2.652 39 H TYR 5 H TYR 5 8.495 -2.253 -2.253 40 HA TYR 5 HA TYR 5 6.524 -0.104 -0.104 41 1HB TYR 5 2HB TYR 5 8.284 -1.676 -1.676 42 2HB TYR 5 1HB TYR 5 6.837 -0.770 -0.770 43 HD1 TYR 5 2HD TYR 5 4.748 -1.368 -1.368 44 HD2 TYR 5 1HD TYR 5 8.046 -4.019 -4.019 45 HE1 TYR 5 2HE TYR 5 3.292 -3.327 -3.327 46 HE2 TYR 5 1HE TYR 5 6.588 -5.937 -5.937 47 HH TYR 5 HH TYR 5 3.723 -6.193 -6.193 48 H VAL 6 H VAL 6 7.089 1.886 1.886 49 HA VAL 6 HA VAL 6 10.032 2.527 2.527 50 HB VAL 6 HB VAL 6 7.791 4.495 4.495 51 1HG1 VAL 6 3HG1 VAL 6 10.494 4.820 4.820 52 2HG1 VAL 6 2HG1 VAL 6 10.372 4.707 4.707 53 3HG1 VAL 6 1HG1 VAL 6 9.462 5.942 5.942 54 1HG2 VAL 6 2HG2 VAL 6 8.486 2.282 2.282 55 2HG2 VAL 6 1HG2 VAL 6 7.295 3.548 3.548 56 3HG2 VAL 6 3HG2 VAL 6 8.962 3.784 3.784 57 H SER 7 H SER 7 10.691 2.790 2.790 58 HA SER 7 HA SER 7 8.805 3.570 3.570 59 1HB SER 7 2HB SER 7 10.392 2.466 2.466 60 2HB SER 7 1HB SER 7 11.385 2.338 2.338 61 HG SER 7 HG SER 7 11.937 3.704 3.704 62 H HIS 8 H HIS 8 8.359 5.659 5.659 63 HA HIS 8 HA HIS 8 8.893 7.901 7.901 64 1HB HIS 8 2HB HIS 8 8.986 9.003 9.003 65 2HB HIS 8 1HB HIS 8 7.517 8.290 8.290 66 HD1 HIS 8 1HD HIS 8 6.434 6.946 6.946 67 HD2 HIS 8 2HD HIS 8 10.566 6.608 6.608 68 HE1 HIS 8 1HE HIS 8 6.883 5.310 5.310 69 H ASP 9 H ASP 9 11.321 6.386 6.386 70 HA ASP 9 HA ASP 9 13.151 8.608 8.608 71 1HB ASP 9 2HB ASP 9 14.581 7.074 7.074 72 2HB ASP 9 1HB ASP 9 12.993 6.394 6.394 73 H GLY 10 H GLY 10 12.142 6.601 6.601 74 1HA GLY 10 2HA GLY 10 12.884 7.187 7.187 75 2HA GLY 10 1HA GLY 10 14.506 7.406 7.406 76 H THR 11 H THR 11 14.360 4.937 4.937 77 HA THR 11 HA THR 11 15.434 3.082 3.082 78 HB THR 11 HB THR 11 15.627 3.311 3.311 79 HG1 THR 11 1HG THR 11 15.645 0.806 0.806 80 1HG2 THR 11 1HG2 THR 11 13.098 3.044 3.044 81 2HG2 THR 11 3HG2 THR 11 13.345 1.336 1.336 82 3HG2 THR 11 2HG2 THR 11 14.090 2.055 2.055 83 H ARG 12 H ARG 12 14.453 1.618 1.618 84 HA ARG 12 HA ARG 12 11.490 1.276 1.276 85 1HB ARG 12 2HB ARG 12 13.352 1.826 1.826 86 2HB ARG 12 1HB ARG 12 12.093 0.645 0.645 87 1HG ARG 12 2HG ARG 12 10.354 2.186 2.186 88 2HG ARG 12 1HG ARG 12 11.494 3.315 3.315 89 1HD ARG 12 2HD ARG 12 12.010 2.607 2.607 90 2HD ARG 12 1HD ARG 12 10.596 3.632 3.632 91 HE ARG 12 HE ARG 12 12.672 4.665 4.665 92 1HH1 ARG 12 1HH2 ARG 12 13.000 3.621 3.621 93 2HH1 ARG 12 2HH2 ARG 12 13.520 5.150 5.150 94 1HH2 ARG 12 1HH1 ARG 12 12.917 6.866 6.866 95 2HH2 ARG 12 2HH1 ARG 12 13.473 6.986 6.986 96 H ARG 13 H ARG 13 10.755 -0.798 -0.798 97 HA ARG 13 HA ARG 13 12.725 -3.038 -3.038 98 1HB ARG 13 2HB ARG 13 11.276 -2.405 -2.405 99 2HB ARG 13 1HB ARG 13 9.957 -3.170 -3.170 100 1HG ARG 13 2HG ARG 13 10.763 -5.238 -5.238 101 2HG ARG 13 1HG ARG 13 12.409 -4.763 -4.763 102 1HD ARG 13 2HD ARG 13 11.128 -4.023 -4.023 103 2HD ARG 13 1HD ARG 13 12.094 -5.495 -5.495 104 HE ARG 13 HE ARG 13 13.196 -2.793 -2.793 105 1HH1 ARG 13 1HH2 ARG 13 14.922 -5.059 -5.059 106 2HH1 ARG 13 2HH2 ARG 13 15.887 -5.271 -5.271 107 1HH2 ARG 13 1HH1 ARG 13 13.769 -3.425 -3.425 108 2HH2 ARG 13 2HH1 ARG 13 15.235 -4.346 -4.346 109 H GLU 14 H GLU 14 12.143 -4.912 -4.912 110 HA GLU 14 HA GLU 14 9.690 -4.542 -4.542 111 1HB GLU 14 2HB GLU 14 12.334 -5.642 -5.642 112 2HB GLU 14 1HB GLU 14 10.961 -5.102 -5.102 113 1HG GLU 14 2HG GLU 14 11.296 -2.792 -2.792 114 2HG GLU 14 1HG GLU 14 12.778 -3.377 -3.377 115 H LEU 15 H LEU 15 8.365 -6.227 -6.227 116 HA LEU 15 HA LEU 15 9.485 -8.880 -8.880 117 1HB LEU 15 2HB LEU 15 7.122 -7.200 -7.200 118 2HB LEU 15 1HB LEU 15 6.968 -8.954 -8.954 119 HG LEU 15 HG LEU 15 9.398 -8.574 -8.574 120 1HD1 LEU 15 3HD1 LEU 15 8.468 -6.035 -6.035 121 2HD1 LEU 15 2HD1 LEU 15 7.972 -6.495 -6.495 122 3HD1 LEU 15 1HD1 LEU 15 9.675 -6.588 -6.588 123 1HD2 LEU 15 3HD2 LEU 15 6.679 -8.455 -8.455 124 2HD2 LEU 15 2HD2 LEU 15 7.713 -9.873 -9.873 125 3HD2 LEU 15 1HD2 LEU 15 8.149 -8.555 -8.555 126 H ASP 16 H ASP 16 7.794 -10.607 -10.607 127 HA ASP 16 HA ASP 16 6.868 -10.307 -10.307 128 1HB ASP 16 2HB ASP 16 8.020 -12.478 -12.478 129 2HB ASP 16 1HB ASP 16 6.784 -12.972 -12.972 130 H VAL 17 H VAL 17 4.945 -9.187 -9.187 131 HA VAL 17 HA VAL 17 3.134 -10.769 -10.769 132 HB VAL 17 HB VAL 17 3.025 -7.945 -7.945 133 1HG1 VAL 17 2HG1 VAL 17 0.945 -9.382 -9.382 134 2HG1 VAL 17 1HG1 VAL 17 1.592 -8.706 -8.706 135 3HG1 VAL 17 3HG1 VAL 17 1.089 -7.635 -7.635 136 1HG2 VAL 17 1HG2 VAL 17 4.449 -9.209 -9.209 137 2HG2 VAL 17 3HG2 VAL 17 4.708 -7.633 -7.633 138 3HG2 VAL 17 2HG2 VAL 17 3.467 -7.830 -7.830 139 H ALA 18 H ALA 18 1.445 -11.862 -11.862 140 HA ALA 18 HA ALA 18 0.417 -11.058 -11.058 141 1HB ALA 18 3HB ALA 18 1.471 -13.716 -13.716 142 2HB ALA 18 2HB ALA 18 0.376 -13.604 -13.604 143 3HB ALA 18 1HB ALA 18 1.948 -12.801 -12.801 144 H ASP 19 H ASP 19 -1.470 -12.865 -12.865 145 HA ASP 19 HA ASP 19 -3.743 -12.187 -12.187 146 1HB ASP 19 2HB ASP 19 -4.668 -14.158 -14.158 147 2HB ASP 19 1HB ASP 19 -3.321 -13.716 -13.716 148 H GLY 20 H GLY 20 -4.094 -12.172 -12.172 149 1HA GLY 20 2HA GLY 20 -4.673 -13.564 -13.564 150 2HA GLY 20 1HA GLY 20 -3.283 -14.575 -14.575 151 H VAL 21 H VAL 21 -1.727 -11.979 -11.979 152 HA VAL 21 HA VAL 21 -1.091 -11.417 -11.417 153 HB VAL 21 HB VAL 21 0.661 -10.755 -10.755 154 1HG1 VAL 21 2HG1 VAL 21 1.089 -10.030 -10.030 155 2HG1 VAL 21 1HG1 VAL 21 1.404 -11.733 -11.733 156 3HG1 VAL 21 3HG1 VAL 21 2.409 -10.859 -10.859 157 1HG2 VAL 21 3HG2 VAL 21 -0.144 -13.423 -13.423 158 2HG2 VAL 21 2HG2 VAL 21 0.714 -12.960 -12.960 159 3HG2 VAL 21 1HG2 VAL 21 1.602 -13.173 -13.173 160 H SER 22 H SER 22 -0.543 -9.258 -9.258 161 HA SER 22 HA SER 22 -1.788 -7.133 -7.133 162 1HB SER 22 2HB SER 22 -1.705 -6.397 -6.397 163 2HB SER 22 1HB SER 22 -3.129 -6.810 -6.810 164 HG SER 22 HG SER 22 -2.968 -8.210 -8.210 165 H LEU 23 H LEU 23 -0.730 -4.888 -4.888 166 HA LEU 23 HA LEU 23 2.119 -5.024 -5.024 167 1HB LEU 23 2HB LEU 23 0.218 -2.824 -2.824 168 2HB LEU 23 1HB LEU 23 1.944 -2.565 -2.565 169 HG LEU 23 HG LEU 23 1.976 -2.966 -2.966 170 1HD1 LEU 23 2HD1 LEU 23 0.511 -4.948 -4.948 171 2HD1 LEU 23 1HD1 LEU 23 -0.892 -3.913 -3.913 172 3HD1 LEU 23 3HD1 LEU 23 0.021 -3.793 -3.793 173 1HD2 LEU 23 3HD2 LEU 23 -0.479 -1.393 -1.393 174 2HD2 LEU 23 2HD2 LEU 23 1.133 -0.769 -0.769 175 3HD2 LEU 23 1HD2 LEU 23 0.139 -1.425 -1.425 176 H MET 24 H MET 24 -0.023 -5.183 -5.183 177 HA MET 24 HA MET 24 1.967 -4.526 -4.526 178 1HB MET 24 2HB MET 24 -0.324 -4.035 -4.035 179 2HB MET 24 1HB MET 24 -0.815 -5.678 -5.678 180 1HG MET 24 2HG MET 24 1.189 -5.814 -5.814 181 2HG MET 24 1HG MET 24 -0.012 -4.633 -4.633 182 1HE MET 24 2HE MET 24 0.077 -6.067 -6.067 183 2HE MET 24 1HE MET 24 -1.663 -6.272 -6.272 184 3HE MET 24 3HE MET 24 -0.600 -7.685 -7.685 185 H GLN 25 H GLN 25 -0.008 -7.408 -7.408 186 HA GLN 25 HA GLN 25 1.299 -9.231 -9.231 187 1HB GLN 25 2HB GLN 25 -0.666 -9.810 -9.810 188 2HB GLN 25 1HB GLN 25 -0.044 -9.290 -9.290 189 1HG GLN 25 2HG GLN 25 1.380 -11.230 -11.230 190 2HG GLN 25 1HG GLN 25 0.999 -11.697 -11.697 191 1HE2 GLN 25 2HE2 GLN 25 -2.460 -11.805 -11.805 192 2HE2 GLN 25 1HE2 GLN 25 -1.665 -10.336 -10.336 193 H ALA 26 H ALA 26 2.124 -9.195 -9.195 194 HA ALA 26 HA ALA 26 4.452 -10.747 -10.747 195 1HB ALA 26 3HB ALA 26 3.299 -8.615 -8.615 196 2HB ALA 26 2HB ALA 26 5.066 -8.474 -8.474 197 3HB ALA 26 1HB ALA 26 4.291 -9.979 -9.979 198 H ALA 27 H ALA 27 4.738 -7.229 -7.229 199 HA ALA 27 HA ALA 27 7.288 -6.920 -6.920 200 1HB ALA 27 3HB ALA 27 4.742 -5.467 -5.467 201 2HB ALA 27 2HB ALA 27 5.782 -4.854 -4.854 202 3HB ALA 27 1HB ALA 27 6.359 -4.903 -4.903 203 H VAL 28 H VAL 28 4.241 -7.267 -7.267 204 HA VAL 28 HA VAL 28 5.080 -7.012 -7.012 205 HB VAL 28 HB VAL 28 2.933 -8.107 -8.107 206 1HG1 VAL 28 3HG1 VAL 28 3.942 -9.916 -9.916 207 2HG1 VAL 28 2HG1 VAL 28 2.212 -9.791 -9.791 208 3HG1 VAL 28 1HG1 VAL 28 3.291 -10.346 -10.346 209 1HG2 VAL 28 3HG2 VAL 28 3.209 -7.244 -7.244 210 2HG2 VAL 28 2HG2 VAL 28 2.550 -6.326 -6.326 211 3HG2 VAL 28 1HG2 VAL 28 1.668 -7.714 -7.714 212 H SER 29 H SER 29 4.915 -10.116 -10.116 213 HA SER 29 HA SER 29 6.325 -11.768 -11.768 214 1HB SER 29 2HB SER 29 7.150 -12.258 -12.258 215 2HB SER 29 1HB SER 29 5.928 -13.127 -13.127 216 HG SER 29 HG SER 29 4.611 -12.276 -12.276 217 H ASN 30 H ASN 30 7.546 -9.709 -9.709 218 HA ASN 30 HA ASN 30 10.338 -10.232 -10.232 219 1HB ASN 30 2HB ASN 30 8.486 -8.436 -8.436 220 2HB ASN 30 1HB ASN 30 10.030 -7.687 -7.687 221 1HD2 ASN 30 2HD2 ASN 30 9.829 -10.711 -10.711 222 2HD2 ASN 30 1HD2 ASN 30 8.518 -10.447 -10.447 223 H GLY 31 H GLY 31 8.154 -8.781 -8.781 224 1HA GLY 31 2HA GLY 31 8.592 -7.692 -7.692 225 2HA GLY 31 1HA GLY 31 10.306 -7.651 -7.651 226 H ILE 32 H ILE 32 8.341 -6.517 -6.517 227 HA ILE 32 HA ILE 32 9.352 -3.811 -3.811 228 HB ILE 32 HB ILE 32 7.092 -5.117 -5.117 229 1HG1 ILE 32 2HG1 ILE 32 10.066 -5.155 -5.155 230 2HG1 ILE 32 1HG1 ILE 32 8.907 -6.471 -6.471 231 1HG2 ILE 32 1HG2 ILE 32 7.124 -2.648 -2.648 232 2HG2 ILE 32 3HG2 ILE 32 8.808 -2.741 -2.741 233 3HG2 ILE 32 2HG2 ILE 32 7.529 -3.466 -3.466 234 1HD1 ILE 32 2HD1 ILE 32 8.039 -5.272 -5.272 235 2HD1 ILE 32 1HD1 ILE 32 9.530 -4.343 -4.343 236 3HD1 ILE 32 3HD1 ILE 32 9.588 -6.093 -6.093 237 H TYR 33 H TYR 33 6.392 -5.453 -5.453 238 HA TYR 33 HA TYR 33 5.261 -2.834 -2.834 239 1HB TYR 33 2HB TYR 33 4.120 -5.497 -5.497 240 2HB TYR 33 1HB TYR 33 3.167 -4.351 -4.351 241 HD1 TYR 33 1HD TYR 33 2.638 -2.109 -2.109 242 HD2 TYR 33 2HD TYR 33 4.683 -5.095 -5.095 243 HE1 TYR 33 1HE TYR 33 2.167 -0.829 -0.829 244 HE2 TYR 33 2HE TYR 33 4.211 -3.845 -3.845 245 HH TYR 33 HH TYR 33 3.487 -0.779 -0.779 246 H ASP 34 H ASP 34 7.154 -3.593 -3.593 247 HA ASP 34 HA ASP 34 6.173 -5.371 -5.371 248 1HB ASP 34 2HB ASP 34 8.134 -4.477 -4.477 249 2HB ASP 34 1HB ASP 34 8.575 -4.863 -4.863 250 H ILE 35 H ILE 35 4.091 -3.675 -3.675 251 HA ILE 35 HA ILE 35 4.053 -1.293 -1.293 252 HB ILE 35 HB ILE 35 1.787 -1.112 -1.112 253 1HG1 ILE 35 2HG1 ILE 35 1.649 -3.410 -3.410 254 2HG1 ILE 35 1HG1 ILE 35 2.022 -3.977 -3.977 255 1HG2 ILE 35 3HG2 ILE 35 3.949 -2.059 -2.059 256 2HG2 ILE 35 2HG2 ILE 35 2.375 -1.538 -1.538 257 3HG2 ILE 35 1HG2 ILE 35 3.394 -0.411 -0.411 258 1HD1 ILE 35 1HD1 ILE 35 -0.143 -1.933 -1.933 259 2HD1 ILE 35 3HD1 ILE 35 -0.476 -3.655 -3.655 260 3HD1 ILE 35 2HD1 ILE 35 0.074 -3.017 -3.017 261 H VAL 36 H VAL 36 1.213 -1.780 -1.780 262 HA VAL 36 HA VAL 36 1.757 -3.337 -3.337 263 HB VAL 36 HB VAL 36 0.844 -0.887 -0.887 264 1HG1 VAL 36 1HG1 VAL 36 -1.048 -1.989 -1.989 265 2HG1 VAL 36 3HG1 VAL 36 -1.842 -2.191 -2.191 266 3HG1 VAL 36 2HG1 VAL 36 -1.380 -0.581 -0.581 267 1HG2 VAL 36 1HG2 VAL 36 0.725 -2.804 -2.804 268 2HG2 VAL 36 3HG2 VAL 36 0.305 -1.103 -1.103 269 3HG2 VAL 36 2HG2 VAL 36 -0.955 -2.288 -2.288 270 H GLY 37 H GLY 37 -1.030 -3.874 -3.874 271 1HA GLY 37 2HA GLY 37 -1.603 -5.941 -5.941 272 2HA GLY 37 1HA GLY 37 -1.845 -6.232 -6.232 273 H ASP 38 H ASP 38 -3.039 -4.387 -4.387 274 HA ASP 38 HA ASP 38 -5.610 -3.950 -3.950 275 1HB ASP 38 2HB ASP 38 -4.287 -2.336 -2.336 276 2HB ASP 38 1HB ASP 38 -5.812 -1.928 -1.928 277 H CYS 39 H CYS 39 -4.346 -4.092 -4.092 278 HA CYS 39 HA CYS 39 -6.790 -5.000 -5.000 279 1HB CYS 39 2HB CYS 39 -5.161 -5.484 -5.484 280 2HB CYS 39 1HB CYS 39 -5.141 -3.849 -3.849 281 H GLY 40 H GLY 40 -4.051 -6.664 -6.664 282 1HA GLY 40 2HA GLY 40 -3.578 -8.972 -8.972 283 2HA GLY 40 1HA GLY 40 -5.323 -9.114 -9.114 284 H GLY 41 H GLY 41 -4.020 -7.772 -7.772 285 1HA GLY 41 2HA GLY 41 -3.848 -8.675 -8.675 286 2HA GLY 41 1HA GLY 41 -4.206 -10.271 -10.271 287 H SER 42 H SER 42 -6.180 -7.370 -7.370 288 HA SER 42 HA SER 42 -8.244 -8.506 -8.506 289 1HB SER 42 2HB SER 42 -9.812 -8.701 -8.701 290 2HB SER 42 1HB SER 42 -8.328 -9.122 -9.122 291 HG SER 42 HG SER 42 -9.864 -7.388 -7.388 292 H ALA 43 H ALA 43 -6.441 -5.895 -5.895 293 HA ALA 43 HA ALA 43 -6.666 -3.669 -3.669 294 1HB ALA 43 1HB ALA 43 -8.549 -5.237 -5.237 295 2HB ALA 43 3HB ALA 43 -9.430 -3.811 -3.811 296 3HB ALA 43 2HB ALA 43 -7.987 -3.632 -3.632 297 H SER 44 H SER 44 -6.989 -3.948 -3.948 298 HA SER 44 HA SER 44 -9.152 -2.005 -2.005 299 1HB SER 44 2HB SER 44 -8.684 -4.745 -4.745 300 2HB SER 44 1HB SER 44 -8.722 -3.595 -3.595 301 HG SER 44 HG SER 44 -10.717 -2.823 -2.823 302 H CYS 45 H CYS 45 -6.356 -1.538 -1.538 303 HA CYS 45 HA CYS 45 -5.193 -1.080 -1.080 304 1HB CYS 45 2HB CYS 45 -3.030 -0.817 -0.817 305 2HB CYS 45 1HB CYS 45 -3.660 -2.390 -2.390 306 H ALA 46 H ALA 46 -3.989 0.756 0.756 307 HA ALA 46 HA ALA 46 -4.733 3.222 3.222 308 1HB ALA 46 2HB ALA 46 -5.464 2.735 2.735 309 2HB ALA 46 1HB ALA 46 -3.786 3.107 3.107 310 3HB ALA 46 3HB ALA 46 -4.800 4.326 4.326 311 H THR 47 H THR 47 -2.225 1.082 1.082 312 HA THR 47 HA THR 47 -0.118 3.199 3.199 313 HB THR 47 HB THR 47 1.316 1.178 1.178 314 HG1 THR 47 1HG THR 47 -0.709 -0.156 -0.156 315 1HG2 THR 47 3HG2 THR 47 -0.938 2.127 2.127 316 2HG2 THR 47 2HG2 THR 47 0.526 1.321 1.321 317 3HG2 THR 47 1HG2 THR 47 0.631 2.908 2.908 318 H CYS 48 H CYS 48 -1.289 0.234 0.234 319 HA CYS 48 HA CYS 48 0.921 0.217 0.217 320 1HB CYS 48 2HB CYS 48 -1.746 -1.033 -1.033 321 2HB CYS 48 1HB CYS 48 -0.145 -1.610 -1.610 322 H HIS 49 H HIS 49 0.418 2.746 2.746 323 HA HIS 49 HA HIS 49 -1.677 3.216 3.216 324 1HB HIS 49 2HB HIS 49 -1.210 4.779 4.779 325 2HB HIS 49 1HB HIS 49 0.343 5.143 5.143 326 HD1 HIS 49 1HD HIS 49 -1.121 7.608 7.608 327 HD2 HIS 49 2HD HIS 49 -2.057 4.746 4.746 328 HE1 HIS 49 1HE HIS 49 -2.458 8.794 8.794 329 H VAL 50 H VAL 50 -1.100 3.341 3.341 330 HA VAL 50 HA VAL 50 1.776 3.719 3.719 331 HB VAL 50 HB VAL 50 1.549 1.758 1.758 332 1HG1 VAL 50 1HG1 VAL 50 1.286 1.409 1.409 333 2HG1 VAL 50 3HG1 VAL 50 1.584 0.048 0.048 334 3HG1 VAL 50 2HG1 VAL 50 2.750 1.369 1.369 335 1HG2 VAL 50 1HG2 VAL 50 -0.952 1.854 1.854 336 2HG2 VAL 50 3HG2 VAL 50 -0.314 0.241 0.241 337 3HG2 VAL 50 2HG2 VAL 50 -0.945 1.221 1.221 338 H TYR 51 H TYR 51 2.100 4.377 4.377 339 HA TYR 51 HA TYR 51 -0.335 5.416 5.416 340 1HB TYR 51 2HB TYR 51 2.432 6.458 6.458 341 2HB TYR 51 1HB TYR 51 1.499 7.097 7.097 342 HD1 TYR 51 2HD TYR 51 -1.018 6.211 6.211 343 HD2 TYR 51 1HD TYR 51 2.206 9.072 9.072 344 HE1 TYR 51 2HE TYR 51 -2.279 7.753 7.753 345 HE2 TYR 51 1HE TYR 51 0.911 10.616 10.616 346 HH TYR 51 HH TYR 51 -1.494 9.765 9.765 347 H VAL 52 H VAL 52 -0.698 4.055 4.055 348 HA VAL 52 HA VAL 52 1.499 2.597 2.597 349 HB VAL 52 HB VAL 52 -1.463 2.682 2.682 350 1HG1 VAL 52 3HG1 VAL 52 0.482 1.568 1.568 351 2HG1 VAL 52 2HG1 VAL 52 0.291 0.279 0.279 352 3HG1 VAL 52 1HG1 VAL 52 -1.093 0.779 0.779 353 1HG2 VAL 52 3HG2 VAL 52 -0.061 1.669 1.669 354 2HG2 VAL 52 2HG2 VAL 52 -1.796 1.716 1.716 355 3HG2 VAL 52 1HG2 VAL 52 -0.832 0.355 0.355 356 H ASN 53 H ASN 53 1.820 2.828 2.828 357 HA ASN 53 HA ASN 53 1.635 5.635 5.635 358 1HB ASN 53 2HB ASN 53 2.621 4.619 4.619 359 2HB ASN 53 1HB ASN 53 3.567 4.384 4.384 360 1HD2 ASN 53 2HD2 ASN 53 3.371 1.077 1.077 361 2HD2 ASN 53 1HD2 ASN 53 4.023 2.587 2.587 362 H GLU 54 H GLU 54 0.032 6.526 6.526 363 HA GLU 54 HA GLU 54 -2.505 5.593 5.593 364 1HB GLU 54 2HB GLU 54 -2.518 7.094 7.094 365 2HB GLU 54 1HB GLU 54 -1.792 7.828 7.828 366 1HG GLU 54 2HG GLU 54 0.456 7.195 7.195 367 2HG GLU 54 1HG GLU 54 -0.284 6.511 6.511 368 H ALA 55 H ALA 55 0.313 4.565 4.565 369 HA ALA 55 HA ALA 55 -1.035 3.362 3.362 370 1HB ALA 55 1HB ALA 55 1.595 2.965 2.965 371 2HB ALA 55 3HB ALA 55 1.162 1.972 1.972 372 3HB ALA 55 2HB ALA 55 1.299 3.722 3.722 373 H PHE 56 H PHE 56 -0.651 2.314 2.314 374 HA PHE 56 HA PHE 56 -1.889 -0.319 -0.319 375 1HB PHE 56 2HB PHE 56 0.049 0.422 0.422 376 2HB PHE 56 1HB PHE 56 -0.676 -1.169 -1.169 377 HD1 PHE 56 1HD PHE 56 1.257 1.421 1.421 378 HD2 PHE 56 2HD PHE 56 0.480 -2.810 -2.810 379 HE1 PHE 56 1HE PHE 56 2.958 0.954 0.954 380 HE2 PHE 56 2HE PHE 56 2.176 -3.233 -3.233 381 HZ PHE 56 HZ PHE 56 3.421 -1.379 -1.379 382 H THR 57 H THR 57 -2.185 2.572 2.572 383 HA THR 57 HA THR 57 -3.919 1.414 1.414 384 HB THR 57 HB THR 57 -3.888 3.542 3.542 385 HG1 THR 57 1HG THR 57 -3.950 4.503 4.503 386 1HG2 THR 57 3HG2 THR 57 -1.495 2.910 2.910 387 2HG2 THR 57 2HG2 THR 57 -1.825 4.558 4.558 388 3HG2 THR 57 1HG2 THR 57 -1.730 4.197 4.197 389 H ASP 58 H ASP 58 -4.260 2.800 2.800 390 HA ASP 58 HA ASP 58 -7.158 3.219 3.219 391 1HB ASP 58 2HB ASP 58 -6.875 3.989 3.989 392 2HB ASP 58 1HB ASP 58 -5.410 4.480 4.480 393 H LYS 59 H LYS 59 -4.952 0.682 0.682 394 HA LYS 59 HA LYS 59 -6.931 -0.880 -0.880 395 1HB LYS 59 2HB LYS 59 -4.188 -1.469 -1.469 396 2HB LYS 59 1HB LYS 59 -5.059 -2.547 -2.547 397 1HG LYS 59 2HG LYS 59 -4.115 0.268 0.268 398 2HG LYS 59 1HG LYS 59 -3.500 -1.227 -1.227 399 1HD LYS 59 2HD LYS 59 -6.007 -1.596 -1.596 400 2HD LYS 59 1HD LYS 59 -6.125 0.150 0.150 401 1HE LYS 59 2HE LYS 59 -4.961 0.568 0.568 402 2HE LYS 59 1HE LYS 59 -3.738 -0.659 -0.659 403 1HZ LYS 59 1HZ LYS 59 -6.496 -1.309 -1.309 404 2HZ LYS 59 3HZ LYS 59 -5.173 -1.228 -1.228 405 3HZ LYS 59 2HZ LYS 59 -5.193 -2.384 -2.384 406 H VAL 60 H VAL 60 -5.245 -1.258 -1.258 407 HA VAL 60 HA VAL 60 -6.327 -3.527 -3.527 408 HB VAL 60 HB VAL 60 -6.228 -2.160 -2.160 409 1HG1 VAL 60 1HG1 VAL 60 -3.954 -2.156 -2.156 410 2HG1 VAL 60 3HG1 VAL 60 -3.753 -1.680 -1.680 411 3HG1 VAL 60 2HG1 VAL 60 -4.256 -3.322 -3.322 412 1HG2 VAL 60 3HG2 VAL 60 -6.907 -0.024 -0.024 413 2HG2 VAL 60 2HG2 VAL 60 -5.462 0.123 0.123 414 3HG2 VAL 60 1HG2 VAL 60 -5.313 0.007 0.007 415 HA PRO 61 HA PRO 61 -10.682 -3.082 -3.082 416 1HB PRO 61 2HB PRO 61 -11.096 -4.137 -4.137 417 2HB PRO 61 1HB PRO 61 -10.730 -5.120 -5.120 418 1HG PRO 61 2HG PRO 61 -8.908 -4.193 -4.193 419 2HG PRO 61 1HG PRO 61 -8.993 -5.775 -5.775 420 1HD PRO 61 2HD PRO 61 -7.104 -3.957 -3.957 421 2HD PRO 61 1HD PRO 61 -7.801 -5.064 -5.064 422 H ALA 62 H ALA 62 -12.340 -2.103 -2.103 423 HA ALA 62 HA ALA 62 -11.532 0.495 0.495 424 1HB ALA 62 1HB ALA 62 -13.662 -0.716 -0.716 425 2HB ALA 62 3HB ALA 62 -14.314 -0.345 -0.345 426 3HB ALA 62 2HB ALA 62 -13.635 0.945 0.945 427 H ALA 63 H ALA 63 -11.047 0.833 0.833 428 HA ALA 63 HA ALA 63 -11.414 -1.146 -1.146 429 1HB ALA 63 3HB ALA 63 -10.774 1.824 1.824 430 2HB ALA 63 2HB ALA 63 -10.591 0.743 0.743 431 3HB ALA 63 1HB ALA 63 -9.602 0.507 0.507 432 H ASN 64 H ASN 64 -12.714 -0.641 -0.641 433 HA ASN 64 HA ASN 64 -15.385 0.422 0.422 434 1HB ASN 64 2HB ASN 64 -15.436 -0.744 -0.744 435 2HB ASN 64 1HB ASN 64 -16.145 -1.372 -1.372 436 1HD2 ASN 64 2HD2 ASN 64 -13.294 -3.607 -3.607 437 2HD2 ASN 64 1HD2 ASN 64 -14.397 -2.659 -2.659 438 H GLU 65 H GLU 65 -16.330 0.873 0.873 439 HA GLU 65 HA GLU 65 -15.390 3.602 3.602 440 1HB GLU 65 2HB GLU 65 -17.305 3.713 3.713 441 2HB GLU 65 1HB GLU 65 -17.741 2.494 2.494 442 1HG GLU 65 2HG GLU 65 -18.275 1.250 1.250 443 2HG GLU 65 1HG GLU 65 -16.541 0.926 0.926 444 H ARG 66 H ARG 66 -14.681 0.476 0.476 445 HA ARG 66 HA ARG 66 -13.777 1.475 1.475 446 1HB ARG 66 2HB ARG 66 -12.120 -0.721 -0.721 447 2HB ARG 66 1HB ARG 66 -13.519 -0.755 -0.755 448 1HG ARG 66 2HG ARG 66 -14.926 -1.085 -1.085 449 2HG ARG 66 1HG ARG 66 -13.402 -1.262 -1.262 450 1HD ARG 66 2HD ARG 66 -12.998 -3.343 -3.343 451 2HD ARG 66 1HD ARG 66 -13.677 -2.917 -2.917 452 HE ARG 66 HE ARG 66 -15.839 -2.855 -2.855 453 1HH1 ARG 66 1HH2 ARG 66 -13.737 -5.186 -5.186 454 2HH1 ARG 66 2HH2 ARG 66 -14.644 -6.531 -6.531 455 1HH2 ARG 66 1HH1 ARG 66 -16.920 -4.562 -4.562 456 2HH2 ARG 66 2HH1 ARG 66 -16.445 -6.178 -6.178 457 H GLU 67 H GLU 67 -12.097 0.722 0.722 458 HA GLU 67 HA GLU 67 -9.477 1.513 1.513 459 1HB GLU 67 2HB GLU 67 -10.042 0.247 0.247 460 2HB GLU 67 1HB GLU 67 -11.076 1.547 1.547 461 1HG GLU 67 2HG GLU 67 -8.389 2.492 2.492 462 2HG GLU 67 1HG GLU 67 -8.380 1.194 1.194 463 H ILE 68 H ILE 68 -12.237 3.496 3.496 464 HA ILE 68 HA ILE 68 -10.763 5.868 5.868 465 HB ILE 68 HB ILE 68 -13.570 5.018 5.018 466 1HG1 ILE 68 2HG1 ILE 68 -13.955 5.793 5.793 467 2HG1 ILE 68 1HG1 ILE 68 -12.444 6.702 6.702 468 1HG2 ILE 68 2HG2 ILE 68 -13.214 7.192 7.192 469 2HG2 ILE 68 1HG2 ILE 68 -12.838 7.936 7.936 470 3HG2 ILE 68 3HG2 ILE 68 -14.439 7.249 7.249 471 1HD1 ILE 68 3HD1 ILE 68 -12.439 3.717 3.717 472 2HD1 ILE 68 2HD1 ILE 68 -12.490 4.398 4.398 473 3HD1 ILE 68 1HD1 ILE 68 -11.126 4.750 4.750 474 H GLY 69 H GLY 69 -11.972 4.505 4.505 475 1HA GLY 69 2HA GLY 69 -11.280 6.982 6.982 476 2HA GLY 69 1HA GLY 69 -12.017 5.547 5.547 477 H MET 70 H MET 70 -10.436 3.526 3.526 478 HA MET 70 HA MET 70 -8.215 3.777 3.777 479 1HB MET 70 2HB MET 70 -7.385 1.755 1.755 480 2HB MET 70 1HB MET 70 -8.983 1.592 1.592 481 1HG MET 70 2HG MET 70 -9.615 2.747 2.747 482 2HG MET 70 1HG MET 70 -8.155 1.902 1.902 483 1HE MET 70 1HE MET 70 -8.032 0.259 0.259 484 2HE MET 70 3HE MET 70 -8.029 -1.094 -1.094 485 3HE MET 70 2HE MET 70 -9.150 -1.104 -1.104 486 H LEU 71 H LEU 71 -8.370 4.048 4.048 487 HA LEU 71 HA LEU 71 -5.568 4.523 4.523 488 1HB LEU 71 2HB LEU 71 -7.467 3.651 3.651 489 2HB LEU 71 1HB LEU 71 -8.007 5.330 5.330 490 HG LEU 71 HG LEU 71 -5.858 3.997 3.997 491 1HD1 LEU 71 3HD1 LEU 71 -7.929 5.923 5.923 492 2HD1 LEU 71 2HD1 LEU 71 -6.394 6.692 6.692 493 3HD1 LEU 71 1HD1 LEU 71 -6.895 5.193 5.193 494 1HD2 LEU 71 1HD2 LEU 71 -4.554 5.345 5.345 495 2HD2 LEU 71 3HD2 LEU 71 -4.222 5.713 5.713 496 3HD2 LEU 71 2HD2 LEU 71 -5.258 6.777 6.777 497 H GLU 72 H GLU 72 -8.295 6.459 6.459 498 HA GLU 72 HA GLU 72 -6.954 9.031 9.031 499 1HB GLU 72 2HB GLU 72 -9.270 9.074 9.074 500 2HB GLU 72 1HB GLU 72 -9.630 8.095 8.095 501 1HG GLU 72 2HG GLU 72 -9.721 9.903 9.903 502 2HG GLU 72 1HG GLU 72 -8.273 10.623 10.623 503 H CYS 73 H CYS 73 -7.285 6.763 6.763 504 HA CYS 73 HA CYS 73 -7.131 8.372 8.372 505 1HB CYS 73 2HB CYS 73 -5.986 5.740 5.740 506 2HB CYS 73 1HB CYS 73 -5.426 6.411 6.411 507 HG CYS 73 HG CYS 73 -8.498 6.177 6.177 508 H VAL 74 H VAL 74 -4.779 7.697 7.697 509 HA VAL 74 HA VAL 74 -2.625 9.223 9.223 510 HB VAL 74 HB VAL 74 -1.343 8.448 8.448 511 1HG1 VAL 74 1HG1 VAL 74 -3.095 6.521 6.521 512 2HG1 VAL 74 3HG1 VAL 74 -2.062 5.910 5.910 513 3HG1 VAL 74 2HG1 VAL 74 -1.347 6.738 6.738 514 1HG2 VAL 74 1HG2 VAL 74 -4.097 8.018 8.018 515 2HG2 VAL 74 3HG2 VAL 74 -2.639 8.495 8.495 516 3HG2 VAL 74 2HG2 VAL 74 -2.904 6.801 6.801 517 H THR 75 H THR 75 -3.730 11.320 11.320 518 HA THR 75 HA THR 75 -5.002 12.664 12.664 519 HB THR 75 HB THR 75 -4.592 13.425 13.425 520 HG1 THR 75 1HG THR 75 -5.212 15.127 15.127 521 1HG2 THR 75 2HG2 THR 75 -1.864 13.064 13.064 522 2HG2 THR 75 1HG2 THR 75 -2.095 14.749 14.749 523 3HG2 THR 75 3HG2 THR 75 -2.480 13.454 13.454 524 H ALA 76 H ALA 76 -3.873 11.864 11.864 525 HA ALA 76 HA ALA 76 -1.476 13.556 13.556 526 1HB ALA 76 2HB ALA 76 -1.817 10.683 10.683 527 2HB ALA 76 1HB ALA 76 -1.387 11.203 11.203 528 3HB ALA 76 3HB ALA 76 -0.342 11.611 11.611 529 H GLU 77 H GLU 77 -4.204 14.253 14.253 530 HA GLU 77 HA GLU 77 -5.678 14.694 14.694 531 1HB GLU 77 2HB GLU 77 -4.418 15.896 15.896 532 2HB GLU 77 1HB GLU 77 -3.861 16.353 16.353 533 1HG GLU 77 2HG GLU 77 -1.917 14.961 14.961 534 2HG GLU 77 1HG GLU 77 -2.529 14.193 14.193 535 H LEU 78 H LEU 78 -5.739 12.130 12.130 536 HA LEU 78 HA LEU 78 -4.864 10.151 10.151 537 1HB LEU 78 2HB LEU 78 -7.332 10.961 10.961 538 2HB LEU 78 1HB LEU 78 -7.624 10.690 10.690 539 HG LEU 78 HG LEU 78 -6.269 8.484 8.484 540 1HD1 LEU 78 3HD1 LEU 78 -6.877 9.453 9.453 541 2HD1 LEU 78 2HD1 LEU 78 -6.997 7.723 7.723 542 3HD1 LEU 78 1HD1 LEU 78 -5.473 8.568 8.568 543 1HD2 LEU 78 2HD2 LEU 78 -9.085 9.196 9.196 544 2HD2 LEU 78 1HD2 LEU 78 -8.396 7.913 7.913 545 3HD2 LEU 78 3HD2 LEU 78 -8.609 7.668 7.668 546 H LYS 79 H LYS 79 -4.005 9.851 9.851 547 HA LYS 79 HA LYS 79 -4.406 11.854 11.854 548 1HB LYS 79 2HB LYS 79 -3.103 9.150 9.150 549 2HB LYS 79 1HB LYS 79 -2.649 10.683 10.683 550 1HG LYS 79 2HG LYS 79 -2.463 10.954 10.954 551 2HG LYS 79 1HG LYS 79 -1.588 9.511 9.511 552 1HD LYS 79 2HD LYS 79 0.098 10.843 10.843 553 2HD LYS 79 1HD LYS 79 -0.943 11.438 11.438 554 1HE LYS 79 2HE LYS 79 -1.942 12.998 12.998 555 2HE LYS 79 1HE LYS 79 -0.440 12.641 12.641 556 1HZ LYS 79 3HZ LYS 79 -0.556 13.547 13.547 557 2HZ LYS 79 2HZ LYS 79 -0.234 14.573 14.573 558 3HZ LYS 79 1HZ LYS 79 0.842 13.315 13.315 559 HA PRO 80 HA PRO 80 -7.631 9.840 9.840 560 1HB PRO 80 2HB PRO 80 -6.673 9.600 9.600 561 2HB PRO 80 1HB PRO 80 -7.239 11.139 11.139 562 1HG PRO 80 2HG PRO 80 -4.457 10.097 10.097 563 2HG PRO 80 1HG PRO 80 -5.083 11.729 11.729 564 1HD PRO 80 2HD PRO 80 -3.743 11.109 11.109 565 2HD PRO 80 1HD PRO 80 -5.084 12.275 12.275 566 H ASN 81 H ASN 81 -4.426 8.499 8.499 567 HA ASN 81 HA ASN 81 -5.534 5.800 5.800 568 1HB ASN 81 2HB ASN 81 -3.098 5.347 5.347 569 2HB ASN 81 1HB ASN 81 -3.823 6.582 6.582 570 1HD2 ASN 81 2HD2 ASN 81 -0.570 7.902 7.902 571 2HD2 ASN 81 1HD2 ASN 81 -1.031 6.574 6.574 572 H SER 82 H SER 82 -4.395 7.636 7.636 573 HA SER 82 HA SER 82 -2.809 5.888 5.888 574 1HB SER 82 2HB SER 82 -5.178 7.542 7.542 575 2HB SER 82 1HB SER 82 -3.843 6.997 6.997 576 HG SER 82 HG SER 82 -2.649 8.114 8.114 577 H ARG 83 H ARG 83 -3.350 4.355 4.355 578 HA ARG 83 HA ARG 83 -5.979 3.245 3.245 579 1HB ARG 83 2HB ARG 83 -4.590 2.491 2.491 580 2HB ARG 83 1HB ARG 83 -4.583 1.101 1.101 581 1HG ARG 83 2HG ARG 83 -6.752 0.703 0.703 582 2HG ARG 83 1HG ARG 83 -7.174 2.354 2.354 583 1HD ARG 83 2HD ARG 83 -7.855 2.384 2.384 584 2HD ARG 83 1HD ARG 83 -6.162 2.865 2.865 585 HE ARG 83 HE ARG 83 -6.094 0.081 0.081 586 1HH1 ARG 83 1HH2 ARG 83 -6.372 2.553 2.553 587 2HH1 ARG 83 2HH2 ARG 83 -7.065 1.600 1.600 588 1HH2 ARG 83 1HH1 ARG 83 -7.570 -1.182 -1.182 589 2HH2 ARG 83 2HH1 ARG 83 -7.746 -0.515 -0.515 590 H LEU 84 H LEU 84 -5.876 1.463 1.463 591 HA LEU 84 HA LEU 84 -3.559 1.515 1.515 592 1HB LEU 84 2HB LEU 84 -6.291 0.645 0.645 593 2HB LEU 84 1HB LEU 84 -5.287 -0.736 -0.736 594 HG LEU 84 HG LEU 84 -5.402 1.962 1.962 595 1HD1 LEU 84 3HD1 LEU 84 -6.363 -0.777 -0.777 596 2HD1 LEU 84 2HD1 LEU 84 -5.524 -0.060 -0.060 597 3HD1 LEU 84 1HD1 LEU 84 -6.936 0.746 0.746 598 1HD2 LEU 84 2HD2 LEU 84 -3.282 -0.132 -0.132 599 2HD2 LEU 84 1HD2 LEU 84 -3.134 1.603 1.603 600 3HD2 LEU 84 3HD2 LEU 84 -3.682 0.528 0.528 601 H SER 85 H SER 85 -1.832 0.083 0.083 602 HA SER 85 HA SER 85 -1.060 -1.312 -1.312 603 1HB SER 85 2HB SER 85 -0.440 -2.505 -2.505 604 2HB SER 85 1HB SER 85 0.614 -2.166 -2.166 605 HG SER 85 HG SER 85 -0.014 0.138 0.138 606 H CYS 86 H CYS 86 -3.465 -2.386 -2.386 607 HA CYS 86 HA CYS 86 -3.447 -5.103 -5.103 608 1HB CYS 86 2HB CYS 86 -4.888 -4.194 -4.194 609 2HB CYS 86 1HB CYS 86 -4.458 -5.835 -5.835 610 H GLN 87 H GLN 87 -4.540 -3.051 -3.051 611 HA GLN 87 HA GLN 87 -7.441 -3.702 -3.702 612 1HB GLN 87 2HB GLN 87 -6.099 -1.196 -1.196 613 2HB GLN 87 1HB GLN 87 -7.820 -1.444 -1.444 614 1HG GLN 87 2HG GLN 87 -6.087 -1.896 -1.896 615 2HG GLN 87 1HG GLN 87 -6.163 -0.240 -0.240 616 1HE2 GLN 87 2HE2 GLN 87 -9.786 -1.935 -1.935 617 2HE2 GLN 87 1HE2 GLN 87 -8.614 -2.795 -2.795 618 H ILE 88 H ILE 88 -4.661 -2.797 -2.797 619 HA ILE 88 HA ILE 88 -6.044 -3.619 -3.619 620 HB ILE 88 HB ILE 88 -3.236 -3.096 -3.096 621 1HG1 ILE 88 2HG1 ILE 88 -4.748 -0.995 -0.995 622 2HG1 ILE 88 1HG1 ILE 88 -3.275 -1.829 -1.829 623 1HG2 ILE 88 2HG2 ILE 88 -5.743 -1.556 -1.556 624 2HG2 ILE 88 1HG2 ILE 88 -4.149 -1.274 -1.274 625 3HG2 ILE 88 3HG2 ILE 88 -4.975 -2.808 -2.808 626 1HD1 ILE 88 1HD1 ILE 88 -2.129 -0.870 -0.870 627 2HD1 ILE 88 3HD1 ILE 88 -3.577 0.095 0.095 628 3HD1 ILE 88 2HD1 ILE 88 -2.633 0.345 0.345 629 H ILE 89 H ILE 89 -5.594 -5.446 -5.446 630 HA ILE 89 HA ILE 89 -3.721 -7.406 -7.406 631 HB ILE 89 HB ILE 89 -6.291 -7.602 -7.602 632 1HG1 ILE 89 2HG1 ILE 89 -6.661 -7.387 -7.387 633 2HG1 ILE 89 1HG1 ILE 89 -6.840 -9.106 -9.106 634 1HG2 ILE 89 2HG2 ILE 89 -4.324 -9.815 -9.815 635 2HG2 ILE 89 1HG2 ILE 89 -5.958 -10.069 -10.069 636 3HG2 ILE 89 3HG2 ILE 89 -4.763 -9.238 -9.238 637 1HD1 ILE 89 2HD1 ILE 89 -4.348 -9.323 -9.323 638 2HD1 ILE 89 1HD1 ILE 89 -4.485 -7.699 -7.699 639 3HD1 ILE 89 3HD1 ILE 89 -5.454 -9.014 -9.014 640 H MET 90 H MET 90 -2.829 -8.970 -8.970 641 HA MET 90 HA MET 90 -1.918 -7.282 -7.282 642 1HB MET 90 2HB MET 90 -0.579 -8.620 -8.620 643 2HB MET 90 1HB MET 90 -0.482 -9.761 -9.761 644 1HG MET 90 2HG MET 90 1.426 -8.186 -8.186 645 2HG MET 90 1HG MET 90 0.410 -7.991 -7.991 646 1HE MET 90 1HE MET 90 0.673 -6.245 -6.245 647 2HE MET 90 3HE MET 90 -0.694 -5.173 -5.173 648 3HE MET 90 2HE MET 90 0.953 -4.628 -4.628 649 H THR 91 H THR 91 -2.947 -7.799 -7.799 650 HA THR 91 HA THR 91 -3.974 -10.561 -10.561 651 HB THR 91 HB THR 91 -4.758 -9.102 -9.102 652 HG1 THR 91 1HG THR 91 -4.868 -7.186 -7.186 653 1HG2 THR 91 2HG2 THR 91 -5.975 -9.007 -9.007 654 2HG2 THR 91 1HG2 THR 91 -6.825 -8.623 -8.623 655 3HG2 THR 91 3HG2 THR 91 -6.246 -10.264 -10.264 656 HA PRO 92 HA PRO 92 -0.881 -11.609 -11.609 657 1HB PRO 92 2HB PRO 92 -2.294 -12.770 -12.770 658 2HB PRO 92 1HB PRO 92 -2.056 -13.547 -13.547 659 1HG PRO 92 2HG PRO 92 -4.429 -12.099 -12.099 660 2HG PRO 92 1HG PRO 92 -4.348 -13.545 -13.545 661 1HD PRO 92 2HD PRO 92 -4.908 -11.045 -11.045 662 2HD PRO 92 1HD PRO 92 -4.170 -12.334 -12.334 663 H GLU 93 H GLU 93 -3.183 -9.244 -9.244 664 HA GLU 93 HA GLU 93 -1.874 -8.600 -8.600 665 1HB GLU 93 2HB GLU 93 -3.955 -7.321 -7.321 666 2HB GLU 93 1HB GLU 93 -4.314 -8.998 -8.998 667 1HG GLU 93 2HG GLU 93 -4.821 -8.386 -8.386 668 2HG GLU 93 1HG GLU 93 -4.304 -6.724 -6.724 669 H LEU 94 H LEU 94 -2.445 -7.436 -7.436 670 HA LEU 94 HA LEU 94 -1.473 -4.714 -4.714 671 1HB LEU 94 2HB LEU 94 -2.421 -5.925 -5.925 672 2HB LEU 94 1HB LEU 94 -2.196 -4.210 -4.210 673 HG LEU 94 HG LEU 94 -4.299 -6.084 -6.084 674 1HD1 LEU 94 1HD1 LEU 94 -4.299 -3.261 -3.261 675 2HD1 LEU 94 3HD1 LEU 94 -5.736 -4.106 -4.106 676 3HD1 LEU 94 2HD1 LEU 94 -4.861 -4.716 -4.716 677 1HD2 LEU 94 2HD2 LEU 94 -3.159 -5.028 -5.028 678 2HD2 LEU 94 1HD2 LEU 94 -4.832 -4.488 -4.488 679 3HD2 LEU 94 3HD2 LEU 94 -3.502 -3.443 -3.443 680 H ASP 95 H ASP 95 0.550 -6.359 -6.359 681 HA ASP 95 HA ASP 95 2.179 -6.524 -6.524 682 1HB ASP 95 2HB ASP 95 3.642 -7.878 -7.878 683 2HB ASP 95 1HB ASP 95 2.058 -8.559 -8.559 684 H GLY 96 H GLY 96 4.192 -5.491 -5.491 685 1HA GLY 96 2HA GLY 96 6.037 -4.162 -4.162 686 2HA GLY 96 1HA GLY 96 4.907 -3.613 -3.613 687 H ILE 97 H ILE 97 3.709 -3.874 -3.874 688 HA ILE 97 HA ILE 97 2.778 -1.215 -1.215 689 HB ILE 97 HB ILE 97 2.469 -3.609 -3.609 690 1HG1 ILE 97 2HG1 ILE 97 1.358 -0.853 -0.853 691 2HG1 ILE 97 1HG1 ILE 97 0.577 -2.352 -2.352 692 1HG2 ILE 97 3HG2 ILE 97 4.350 -2.758 -2.758 693 2HG2 ILE 97 2HG2 ILE 97 3.223 -1.509 -1.509 694 3HG2 ILE 97 1HG2 ILE 97 2.845 -3.200 -3.200 695 1HD1 ILE 97 1HD1 ILE 97 0.812 -3.069 -3.069 696 2HD1 ILE 97 3HD1 ILE 97 1.132 -1.364 -1.364 697 3HD1 ILE 97 2HD1 ILE 97 -0.411 -1.857 -1.857 698 H VAL 98 H VAL 98 3.339 0.562 0.562 699 HA VAL 98 HA VAL 98 6.102 0.554 0.554 700 HB VAL 98 HB VAL 98 4.809 2.865 2.865 701 1HG1 VAL 98 3HG1 VAL 98 7.392 2.324 2.324 702 2HG1 VAL 98 2HG1 VAL 98 7.502 3.170 3.170 703 3HG1 VAL 98 1HG1 VAL 98 6.540 3.851 3.851 704 1HG2 VAL 98 1HG2 VAL 98 5.223 0.745 0.745 705 2HG2 VAL 98 3HG2 VAL 98 5.972 2.238 2.238 706 3HG2 VAL 98 2HG2 VAL 98 6.938 1.035 1.035 707 H VAL 99 H VAL 99 5.092 0.284 0.284 708 HA VAL 99 HA VAL 99 3.246 2.480 2.480 709 HB VAL 99 HB VAL 99 2.105 0.594 0.594 710 1HG1 VAL 99 3HG1 VAL 99 4.761 -0.730 -0.730 711 2HG1 VAL 99 2HG1 VAL 99 3.180 -1.527 -1.527 712 3HG1 VAL 99 1HG1 VAL 99 3.731 -0.918 -0.918 713 1HG2 VAL 99 2HG2 VAL 99 2.908 1.716 1.716 714 2HG2 VAL 99 1HG2 VAL 99 2.326 0.053 0.053 715 3HG2 VAL 99 3HG2 VAL 99 4.062 0.373 0.373 716 H ASP 100 H ASP 100 3.474 3.318 3.318 717 HA ASP 100 HA ASP 100 6.245 3.368 3.368 718 1HB ASP 100 2HB ASP 100 4.743 5.918 5.918 719 2HB ASP 100 1HB ASP 100 6.478 5.681 5.681 720 H VAL 101 H VAL 101 6.301 4.702 4.702 721 HA VAL 101 HA VAL 101 3.741 4.382 4.382 722 HB VAL 101 HB VAL 101 6.680 4.307 4.307 723 1HG1 VAL 101 3HG1 VAL 101 5.160 5.612 5.612 724 2HG1 VAL 101 2HG1 VAL 101 4.395 4.057 4.057 725 3HG1 VAL 101 1HG1 VAL 101 6.110 4.283 4.283 726 1HG2 VAL 101 3HG2 VAL 101 5.439 2.265 2.265 727 2HG2 VAL 101 2HG2 VAL 101 6.216 2.047 2.047 728 3HG2 VAL 101 1HG2 VAL 101 4.472 2.302 2.302 729 HA PRO 102 HA PRO 102 3.730 8.812 8.812 730 1HB PRO 102 2HB PRO 102 1.702 9.172 9.172 731 2HB PRO 102 1HB PRO 102 1.441 8.737 8.737 732 1HG PRO 102 2HG PRO 102 1.399 7.031 7.031 733 2HG PRO 102 1HG PRO 102 0.394 6.939 6.939 734 1HD PRO 102 2HD PRO 102 2.486 5.261 5.261 735 2HD PRO 102 1HD PRO 102 1.931 5.683 5.683 736 H ASP 103 H ASP 103 5.567 9.640 9.640 737 HA ASP 103 HA ASP 103 5.643 9.370 9.370 738 1HB ASP 103 2HB ASP 103 7.813 9.184 9.184 739 2HB ASP 103 1HB ASP 103 7.486 10.178 10.178 740 H ARG 104 H ARG 104 3.865 11.024 11.024 741 HA ARG 104 HA ARG 104 3.833 13.670 13.670 742 1HB ARG 104 2HB ARG 104 2.033 12.355 12.355 743 2HB ARG 104 1HB ARG 104 1.798 11.597 11.597 744 1HG ARG 104 2HG ARG 104 1.304 14.523 14.523 745 2HG ARG 104 1HG ARG 104 0.066 13.273 13.273 746 1HD ARG 104 2HD ARG 104 1.464 14.462 14.462 747 2HD ARG 104 1HD ARG 104 -0.216 13.949 13.949 748 HE ARG 104 HE ARG 104 2.003 11.935 11.935 749 1HH1 ARG 104 1HH1 ARG 104 -0.182 10.335 10.335 750 2HH1 ARG 104 2HH1 ARG 104 -0.962 10.267 10.267 751 1HH2 ARG 104 1HH2 ARG 104 0.631 13.085 13.085 752 2HH2 ARG 104 2HH2 ARG 104 -0.496 11.815 11.815 753 H GLN 105 H GLN 105 3.665 15.381 15.381 754 HA GLN 105 HA GLN 105 3.726 14.628 14.628 755 1HB GLN 105 2HB GLN 105 5.294 16.489 16.489 756 2HB GLN 105 1HB GLN 105 4.977 17.005 17.005 757 1HG GLN 105 2HG GLN 105 6.000 14.228 14.228 758 2HG GLN 105 1HG GLN 105 7.119 15.590 15.590 759 1HE2 GLN 105 2HE2 GLN 105 7.032 15.795 15.795 760 2HE2 GLN 105 1HE2 GLN 105 7.737 16.325 16.325 761 H TRP 106 H TRP 106 1.463 14.964 14.964 762 HA TRP 106 HA TRP 106 0.622 17.830 17.830 763 1HB TRP 106 2HB TRP 106 -0.717 15.383 15.383 764 2HB TRP 106 1HB TRP 106 -1.654 16.821 16.821 765 HD1 TRP 106 HD TRP 106 -0.434 15.436 15.436 766 HE1 TRP 106 1HE TRP 106 0.380 17.176 17.176 767 HE3 TRP 106 3HE TRP 106 0.086 19.508 19.508 768 HZ2 TRP 106 2HZ TRP 106 1.150 19.931 19.931 769 HZ3 TRP 106 3HZ TRP 106 0.861 21.675 21.675 770 HH2 TRP 106 HH TRP 106 1.393 21.892 21.892 Start of MODEL 19 1 1H SER 1 3HT SER 1 3.023 -11.445 -11.445 2 2H SER 1 2HT SER 1 1.406 -10.970 -10.970 3 3H SER 1 1HT SER 1 1.904 -11.653 -11.653 4 HA SER 1 HA SER 1 2.707 -9.715 -9.715 5 1HB SER 1 2HB SER 1 1.574 -7.921 -7.921 6 2HB SER 1 1HB SER 1 0.791 -8.575 -8.575 7 HG SER 1 HG SER 1 -0.156 -10.115 -10.115 8 H LYS 2 H LYS 2 4.432 -8.273 -8.273 9 HA LYS 2 HA LYS 2 6.240 -8.508 -8.508 10 1HB LYS 2 2HB LYS 2 6.625 -8.134 -8.134 11 2HB LYS 2 1HB LYS 2 6.418 -6.432 -6.432 12 1HG LYS 2 2HG LYS 2 8.133 -7.146 -7.146 13 2HG LYS 2 1HG LYS 2 8.619 -8.307 -8.307 14 1HD LYS 2 2HD LYS 2 8.386 -5.316 -5.316 15 2HD LYS 2 1HD LYS 2 9.900 -6.170 -6.170 16 1HE LYS 2 2HE LYS 2 8.455 -7.513 -7.513 17 2HE LYS 2 1HE LYS 2 8.642 -5.793 -5.793 18 1HZ LYS 2 1HZ LYS 2 10.900 -7.242 -7.242 19 2HZ LYS 2 3HZ LYS 2 10.588 -7.448 -7.448 20 3HZ LYS 2 2HZ LYS 2 10.913 -5.898 -5.898 21 H VAL 3 H VAL 3 6.363 -7.020 -7.020 22 HA VAL 3 HA VAL 3 4.667 -4.580 -4.580 23 HB VAL 3 HB VAL 3 5.006 -6.580 -6.580 24 1HG1 VAL 3 3HG1 VAL 3 4.044 -3.711 -3.711 25 2HG1 VAL 3 2HG1 VAL 3 3.686 -4.945 -4.945 26 3HG1 VAL 3 1HG1 VAL 3 5.355 -4.468 -4.468 27 1HG2 VAL 3 2HG2 VAL 3 3.191 -6.852 -6.852 28 2HG2 VAL 3 1HG2 VAL 3 2.542 -6.494 -6.494 29 3HG2 VAL 3 3HG2 VAL 3 2.620 -5.227 -5.227 30 H VAL 4 H VAL 4 5.543 -2.661 -2.661 31 HA VAL 4 HA VAL 4 8.312 -2.779 -2.779 32 HB VAL 4 HB VAL 4 7.021 -1.031 -1.031 33 1HG1 VAL 4 3HG1 VAL 4 9.209 -0.410 -0.410 34 2HG1 VAL 4 2HG1 VAL 4 9.662 -0.223 -0.223 35 3HG1 VAL 4 1HG1 VAL 4 8.286 0.670 0.670 36 1HG2 VAL 4 2HG2 VAL 4 8.583 -3.365 -3.365 37 2HG2 VAL 4 1HG2 VAL 4 8.116 -2.315 -2.315 38 3HG2 VAL 4 3HG2 VAL 4 9.642 -2.044 -2.044 39 H TYR 5 H TYR 5 8.405 -2.063 -2.063 40 HA TYR 5 HA TYR 5 6.372 -0.170 -0.170 41 1HB TYR 5 2HB TYR 5 8.592 -1.795 -1.795 42 2HB TYR 5 1HB TYR 5 7.451 -0.840 -0.840 43 HD1 TYR 5 2HD TYR 5 5.293 -1.617 -1.617 44 HD2 TYR 5 1HD TYR 5 7.802 -3.743 -3.743 45 HE1 TYR 5 2HE TYR 5 3.623 -3.452 -3.452 46 HE2 TYR 5 1HE TYR 5 6.158 -5.579 -5.579 47 HH TYR 5 HH TYR 5 4.109 -6.299 -6.299 48 H VAL 6 H VAL 6 6.854 1.897 1.897 49 HA VAL 6 HA VAL 6 9.773 2.680 2.680 50 HB VAL 6 HB VAL 6 7.421 4.437 4.437 51 1HG1 VAL 6 1HG1 VAL 6 10.234 4.872 4.872 52 2HG1 VAL 6 3HG1 VAL 6 9.850 5.189 5.189 53 3HG1 VAL 6 2HG1 VAL 6 8.991 6.052 6.052 54 1HG2 VAL 6 1HG2 VAL 6 8.340 2.253 2.253 55 2HG2 VAL 6 3HG2 VAL 6 7.418 3.604 3.604 56 3HG2 VAL 6 2HG2 VAL 6 9.178 3.617 3.617 57 H SER 7 H SER 7 10.389 4.312 4.312 58 HA SER 7 HA SER 7 8.497 4.654 4.654 59 1HB SER 7 2HB SER 7 10.355 4.394 4.394 60 2HB SER 7 1HB SER 7 10.721 3.258 3.258 61 HG SER 7 HG SER 7 11.908 5.025 5.025 62 H HIS 8 H HIS 8 8.173 6.782 6.782 63 HA HIS 8 HA HIS 8 8.518 8.953 8.953 64 1HB HIS 8 2HB HIS 8 8.615 10.231 10.231 65 2HB HIS 8 1HB HIS 8 7.179 9.322 9.322 66 HD1 HIS 8 1HD HIS 8 6.364 8.067 8.067 67 HD2 HIS 8 2HD HIS 8 10.518 8.145 8.145 68 HE1 HIS 8 1HE HIS 8 7.106 6.685 6.685 69 H ASP 9 H ASP 9 10.987 7.419 7.419 70 HA ASP 9 HA ASP 9 12.877 9.658 9.658 71 1HB ASP 9 2HB ASP 9 14.267 8.287 8.287 72 2HB ASP 9 1HB ASP 9 12.623 7.988 7.988 73 H GLY 10 H GLY 10 11.824 7.205 7.205 74 1HA GLY 10 2HA GLY 10 12.725 7.182 7.182 75 2HA GLY 10 1HA GLY 10 14.330 7.401 7.401 76 H THR 11 H THR 11 14.325 5.441 5.441 77 HA THR 11 HA THR 11 15.101 3.130 3.130 78 HB THR 11 HB THR 11 15.023 4.025 4.025 79 HG1 THR 11 1HG THR 11 16.565 2.642 2.642 80 1HG2 THR 11 1HG2 THR 11 12.629 3.166 3.166 81 2HG2 THR 11 3HG2 THR 11 13.300 1.543 1.543 82 3HG2 THR 11 2HG2 THR 11 13.740 2.568 2.568 83 H ARG 12 H ARG 12 14.030 1.710 1.710 84 HA ARG 12 HA ARG 12 11.054 1.478 1.478 85 1HB ARG 12 2HB ARG 12 12.933 0.784 0.784 86 2HB ARG 12 1HB ARG 12 11.170 0.740 0.740 87 1HG ARG 12 2HG ARG 12 11.273 3.221 3.221 88 2HG ARG 12 1HG ARG 12 12.975 3.144 3.144 89 1HD ARG 12 2HD ARG 12 10.660 2.422 2.422 90 2HD ARG 12 1HD ARG 12 11.588 3.934 3.934 91 HE ARG 12 HE ARG 12 12.864 1.245 1.245 92 1HH1 ARG 12 1HH2 ARG 12 14.848 3.319 3.319 93 2HH1 ARG 12 2HH2 ARG 12 15.101 3.927 3.927 94 1HH2 ARG 12 1HH1 ARG 12 12.168 2.575 2.575 95 2HH2 ARG 12 2HH1 ARG 12 13.584 3.506 3.506 96 H ARG 13 H ARG 13 10.144 -0.705 -0.705 97 HA ARG 13 HA ARG 13 12.082 -2.934 -2.934 98 1HB ARG 13 2HB ARG 13 10.117 -3.721 -3.721 99 2HB ARG 13 1HB ARG 13 11.422 -2.686 -2.686 100 1HG ARG 13 2HG ARG 13 9.648 -0.806 -0.806 101 2HG ARG 13 1HG ARG 13 8.552 -2.078 -2.078 102 1HD ARG 13 2HD ARG 13 8.957 -0.642 -0.642 103 2HD ARG 13 1HD ARG 13 9.862 -2.144 -2.144 104 HE ARG 13 HE ARG 13 11.311 0.006 0.006 105 1HH1 ARG 13 1HH2 ARG 13 13.283 -1.556 -1.556 106 2HH1 ARG 13 2HH2 ARG 13 13.577 -1.130 -1.130 107 1HH2 ARG 13 1HH1 ARG 13 10.544 0.502 0.502 108 2HH2 ARG 13 2HH1 ARG 13 12.028 0.035 0.035 109 H GLU 14 H GLU 14 11.371 -2.947 -2.947 110 HA GLU 14 HA GLU 14 8.720 -3.780 -3.780 111 1HB GLU 14 2HB GLU 14 11.298 -4.378 -4.378 112 2HB GLU 14 1HB GLU 14 9.718 -3.993 -3.993 113 1HG GLU 14 2HG GLU 14 10.488 -1.876 -1.876 114 2HG GLU 14 1HG GLU 14 10.279 -1.775 -1.775 115 H LEU 15 H LEU 15 7.856 -5.807 -5.807 116 HA LEU 15 HA LEU 15 9.605 -8.099 -8.099 117 1HB LEU 15 2HB LEU 15 6.860 -7.119 -7.119 118 2HB LEU 15 1HB LEU 15 7.159 -8.860 -8.860 119 HG LEU 15 HG LEU 15 9.333 -8.009 -8.009 120 1HD1 LEU 15 3HD1 LEU 15 7.643 -5.740 -5.740 121 2HD1 LEU 15 2HD1 LEU 15 7.777 -6.254 -6.254 122 3HD1 LEU 15 1HD1 LEU 15 9.231 -5.879 -5.879 123 1HD2 LEU 15 1HD2 LEU 15 6.557 -8.455 -8.455 124 2HD2 LEU 15 3HD2 LEU 15 7.903 -9.589 -9.589 125 3HD2 LEU 15 2HD2 LEU 15 7.910 -8.187 -8.187 126 H ASP 16 H ASP 16 8.584 -10.201 -10.201 127 HA ASP 16 HA ASP 16 7.693 -10.096 -10.096 128 1HB ASP 16 2HB ASP 16 9.498 -11.698 -11.698 129 2HB ASP 16 1HB ASP 16 8.198 -12.743 -12.743 130 H VAL 17 H VAL 17 5.496 -9.566 -9.566 131 HA VAL 17 HA VAL 17 4.022 -11.326 -11.326 132 HB VAL 17 HB VAL 17 3.374 -8.779 -8.779 133 1HG1 VAL 17 1HG1 VAL 17 1.788 -10.504 -10.504 134 2HG1 VAL 17 3HG1 VAL 17 1.501 -8.765 -8.765 135 3HG1 VAL 17 2HG1 VAL 17 1.277 -9.754 -9.754 136 1HG2 VAL 17 1HG2 VAL 17 4.197 -9.411 -9.411 137 2HG2 VAL 17 3HG2 VAL 17 5.006 -8.344 -8.344 138 3HG2 VAL 17 2HG2 VAL 17 3.454 -7.877 -7.877 139 H ALA 18 H ALA 18 1.819 -12.038 -12.038 140 HA ALA 18 HA ALA 18 1.710 -12.668 -12.668 141 1HB ALA 18 1HB ALA 18 1.234 -14.502 -14.502 142 2HB ALA 18 3HB ALA 18 0.947 -14.944 -14.944 143 3HB ALA 18 2HB ALA 18 2.585 -14.581 -14.581 144 H ASP 19 H ASP 19 -0.619 -14.187 -14.187 145 HA ASP 19 HA ASP 19 -2.664 -12.129 -12.129 146 1HB ASP 19 2HB ASP 19 -3.826 -13.611 -13.611 147 2HB ASP 19 1HB ASP 19 -2.157 -14.080 -14.080 148 H GLY 20 H GLY 20 -3.845 -11.804 -11.804 149 1HA GLY 20 2HA GLY 20 -5.420 -12.681 -12.681 150 2HA GLY 20 1HA GLY 20 -4.392 -14.107 -14.107 151 H VAL 21 H VAL 21 -2.313 -11.568 -11.568 152 HA VAL 21 HA VAL 21 -2.036 -11.423 -11.423 153 HB VAL 21 HB VAL 21 -0.197 -11.277 -11.277 154 1HG1 VAL 21 2HG1 VAL 21 0.238 -10.015 -10.015 155 2HG1 VAL 21 1HG1 VAL 21 1.588 -10.515 -10.515 156 3HG1 VAL 21 3HG1 VAL 21 0.457 -9.294 -9.294 157 1HG2 VAL 21 3HG2 VAL 21 -0.687 -13.041 -13.041 158 2HG2 VAL 21 2HG2 VAL 21 0.372 -13.299 -13.299 159 3HG2 VAL 21 1HG2 VAL 21 0.985 -12.470 -12.470 160 H SER 22 H SER 22 -1.102 -9.364 -9.364 161 HA SER 22 HA SER 22 -2.243 -6.937 -6.937 162 1HB SER 22 2HB SER 22 -2.003 -6.301 -6.301 163 2HB SER 22 1HB SER 22 -3.457 -7.011 -7.011 164 HG SER 22 HG SER 22 -2.872 -8.967 -8.967 165 H LEU 23 H LEU 23 -0.883 -4.899 -4.899 166 HA LEU 23 HA LEU 23 1.933 -5.502 -5.502 167 1HB LEU 23 2HB LEU 23 0.438 -2.995 -2.995 168 2HB LEU 23 1HB LEU 23 2.176 -3.028 -3.028 169 HG LEU 23 HG LEU 23 2.049 -3.256 -3.256 170 1HD1 LEU 23 3HD1 LEU 23 -0.705 -4.457 -4.457 171 2HD1 LEU 23 2HD1 LEU 23 0.066 -4.170 -4.170 172 3HD1 LEU 23 1HD1 LEU 23 0.773 -5.320 -5.320 173 1HD2 LEU 23 2HD2 LEU 23 -0.390 -1.779 -1.779 174 2HD2 LEU 23 1HD2 LEU 23 1.116 -1.130 -1.130 175 3HD2 LEU 23 3HD2 LEU 23 -0.041 -1.917 -1.917 176 H MET 24 H MET 24 -0.044 -5.894 -5.894 177 HA MET 24 HA MET 24 1.940 -5.153 -5.153 178 1HB MET 24 2HB MET 24 -0.369 -4.701 -4.701 179 2HB MET 24 1HB MET 24 -0.819 -6.362 -6.362 180 1HG MET 24 2HG MET 24 1.261 -6.395 -6.395 181 2HG MET 24 1HG MET 24 0.011 -5.280 -5.280 182 1HE MET 24 1HE MET 24 -0.387 -6.244 -6.244 183 2HE MET 24 3HE MET 24 -2.104 -6.640 -6.640 184 3HE MET 24 2HE MET 24 -0.963 -7.865 -7.865 185 H GLN 25 H GLN 25 -0.039 -8.050 -8.050 186 HA GLN 25 HA GLN 25 1.468 -9.793 -9.793 187 1HB GLN 25 2HB GLN 25 -0.260 -11.063 -11.063 188 2HB GLN 25 1HB GLN 25 -0.592 -9.842 -9.842 189 1HG GLN 25 2HG GLN 25 1.372 -12.115 -12.115 190 2HG GLN 25 1HG GLN 25 -0.249 -12.044 -12.044 191 1HE2 GLN 25 2HE2 GLN 25 1.109 -8.819 -8.819 192 2HE2 GLN 25 1HE2 GLN 25 0.117 -8.979 -8.979 193 H ALA 26 H ALA 26 2.466 -8.555 -8.555 194 HA ALA 26 HA ALA 26 4.615 -10.586 -10.586 195 1HB ALA 26 1HB ALA 26 3.119 -8.831 -8.831 196 2HB ALA 26 3HB ALA 26 4.805 -8.271 -8.271 197 3HB ALA 26 2HB ALA 26 4.395 -9.947 -9.947 198 H ALA 27 H ALA 27 4.102 -7.139 -7.139 199 HA ALA 27 HA ALA 27 6.825 -6.388 -6.388 200 1HB ALA 27 1HB ALA 27 4.824 -4.931 -4.931 201 2HB ALA 27 3HB ALA 27 4.160 -5.314 -5.314 202 3HB ALA 27 2HB ALA 27 5.656 -4.397 -4.397 203 H VAL 28 H VAL 28 3.998 -7.282 -7.282 204 HA VAL 28 HA VAL 28 4.778 -7.149 -7.149 205 HB VAL 28 HB VAL 28 2.822 -8.333 -8.333 206 1HG1 VAL 28 1HG1 VAL 28 3.989 -10.227 -10.227 207 2HG1 VAL 28 3HG1 VAL 28 2.272 -10.293 -10.293 208 3HG1 VAL 28 2HG1 VAL 28 3.474 -10.556 -10.556 209 1HG2 VAL 28 3HG2 VAL 28 2.890 -7.819 -7.819 210 2HG2 VAL 28 2HG2 VAL 28 2.241 -6.766 -6.766 211 3HG2 VAL 28 1HG2 VAL 28 1.443 -8.295 -8.295 212 H SER 29 H SER 29 5.103 -10.069 -10.069 213 HA SER 29 HA SER 29 6.746 -11.579 -11.579 214 1HB SER 29 2HB SER 29 7.471 -12.017 -12.017 215 2HB SER 29 1HB SER 29 6.421 -13.011 -13.011 216 HG SER 29 HG SER 29 5.315 -12.262 -12.262 217 H ASN 30 H ASN 30 7.459 -9.182 -9.182 218 HA ASN 30 HA ASN 30 10.335 -9.478 -9.478 219 1HB ASN 30 2HB ASN 30 8.219 -7.954 -7.954 220 2HB ASN 30 1HB ASN 30 9.619 -6.953 -6.953 221 1HD2 ASN 30 2HD2 ASN 30 9.905 -10.036 -10.036 222 2HD2 ASN 30 1HD2 ASN 30 8.618 -10.000 -10.000 223 H GLY 31 H GLY 31 8.455 -8.699 -8.699 224 1HA GLY 31 2HA GLY 31 8.884 -7.583 -7.583 225 2HA GLY 31 1HA GLY 31 10.497 -7.220 -7.220 226 H ILE 32 H ILE 32 8.263 -6.198 -6.198 227 HA ILE 32 HA ILE 32 8.798 -3.400 -3.400 228 HB ILE 32 HB ILE 32 6.544 -4.753 -4.753 229 1HG1 ILE 32 2HG1 ILE 32 9.482 -4.471 -4.471 230 2HG1 ILE 32 1HG1 ILE 32 8.463 -5.901 -5.901 231 1HG2 ILE 32 3HG2 ILE 32 8.047 -2.155 -2.155 232 2HG2 ILE 32 2HG2 ILE 32 6.823 -2.822 -2.822 233 3HG2 ILE 32 1HG2 ILE 32 6.374 -2.306 -2.306 234 1HD1 ILE 32 3HD1 ILE 32 7.170 -4.383 -4.383 235 2HD1 ILE 32 2HD1 ILE 32 8.763 -3.646 -3.646 236 3HD1 ILE 32 1HD1 ILE 32 8.559 -5.368 -5.368 237 H TYR 33 H TYR 33 5.996 -5.474 -5.474 238 HA TYR 33 HA TYR 33 4.822 -3.182 -3.182 239 1HB TYR 33 2HB TYR 33 3.681 -5.666 -5.666 240 2HB TYR 33 1HB TYR 33 2.719 -4.562 -4.562 241 HD1 TYR 33 2HD TYR 33 3.782 -1.958 -1.958 242 HD2 TYR 33 1HD TYR 33 3.122 -5.279 -5.279 243 HE1 TYR 33 2HE TYR 33 3.620 -0.398 -0.398 244 HE2 TYR 33 1HE TYR 33 2.980 -3.739 -3.739 245 HH TYR 33 HH TYR 33 4.053 -0.668 -0.668 246 H ASP 34 H ASP 34 6.657 -4.108 -4.108 247 HA ASP 34 HA ASP 34 5.586 -6.300 -6.300 248 1HB ASP 34 2HB ASP 34 7.615 -5.668 -5.668 249 2HB ASP 34 1HB ASP 34 8.008 -6.051 -6.051 250 H ILE 35 H ILE 35 3.794 -4.157 -4.157 251 HA ILE 35 HA ILE 35 3.913 -2.183 -2.183 252 HB ILE 35 HB ILE 35 1.813 -1.489 -1.489 253 1HG1 ILE 35 2HG1 ILE 35 1.889 -4.082 -4.082 254 2HG1 ILE 35 1HG1 ILE 35 0.930 -3.874 -3.874 255 1HG2 ILE 35 1HG2 ILE 35 3.985 -2.460 -2.460 256 2HG2 ILE 35 3HG2 ILE 35 2.539 -1.696 -1.696 257 3HG2 ILE 35 2HG2 ILE 35 3.578 -0.806 -0.806 258 1HD1 ILE 35 2HD1 ILE 35 0.686 -1.925 -1.925 259 2HD1 ILE 35 1HD1 ILE 35 -0.221 -3.437 -3.437 260 3HD1 ILE 35 3HD1 ILE 35 -0.468 -2.264 -2.264 261 H VAL 36 H VAL 36 0.966 -2.406 -2.406 262 HA VAL 36 HA VAL 36 1.090 -4.343 -4.343 263 HB VAL 36 HB VAL 36 -0.859 -3.125 -3.125 264 1HG1 VAL 36 1HG1 VAL 36 1.230 -1.357 -1.357 265 2HG1 VAL 36 3HG1 VAL 36 0.005 -0.746 -0.746 266 3HG1 VAL 36 2HG1 VAL 36 1.194 -1.925 -1.925 267 1HG2 VAL 36 1HG2 VAL 36 -1.926 -3.056 -3.056 268 2HG2 VAL 36 3HG2 VAL 36 -2.057 -1.553 -1.553 269 3HG2 VAL 36 2HG2 VAL 36 -0.864 -1.700 -1.700 270 H GLY 37 H GLY 37 -1.769 -4.780 -4.780 271 1HA GLY 37 2HA GLY 37 -2.117 -6.580 -6.580 272 2HA GLY 37 1HA GLY 37 -2.619 -7.038 -7.038 273 H ASP 38 H ASP 38 -3.319 -4.854 -4.854 274 HA ASP 38 HA ASP 38 -6.047 -4.401 -4.401 275 1HB ASP 38 2HB ASP 38 -4.417 -2.663 -2.663 276 2HB ASP 38 1HB ASP 38 -5.961 -2.235 -2.235 277 H CYS 39 H CYS 39 -4.148 -5.026 -5.026 278 HA CYS 39 HA CYS 39 -6.607 -5.644 -5.644 279 1HB CYS 39 2HB CYS 39 -5.040 -5.235 -5.235 280 2HB CYS 39 1HB CYS 39 -5.197 -3.873 -3.873 281 H GLY 40 H GLY 40 -3.425 -6.885 -6.885 282 1HA GLY 40 2HA GLY 40 -2.473 -9.027 -9.027 283 2HA GLY 40 1HA GLY 40 -4.061 -9.556 -9.556 284 H GLY 41 H GLY 41 -3.455 -7.816 -7.816 285 1HA GLY 41 2HA GLY 41 -3.534 -8.580 -8.580 286 2HA GLY 41 1HA GLY 41 -3.628 -10.236 -10.236 287 H SER 42 H SER 42 -5.789 -7.751 -7.751 288 HA SER 42 HA SER 42 -7.999 -8.981 -8.981 289 1HB SER 42 2HB SER 42 -8.166 -8.051 -8.051 290 2HB SER 42 1HB SER 42 -9.341 -9.027 -9.027 291 HG SER 42 HG SER 42 -7.449 -9.930 -9.930 292 H ALA 43 H ALA 43 -6.328 -6.194 -6.194 293 HA ALA 43 HA ALA 43 -6.728 -3.983 -3.983 294 1HB ALA 43 2HB ALA 43 -8.280 -5.564 -5.564 295 2HB ALA 43 1HB ALA 43 -9.500 -4.547 -4.547 296 3HB ALA 43 3HB ALA 43 -8.194 -3.813 -3.813 297 H SER 44 H SER 44 -7.060 -4.432 -4.432 298 HA SER 44 HA SER 44 -9.309 -2.622 -2.622 299 1HB SER 44 2HB SER 44 -8.939 -4.195 -4.195 300 2HB SER 44 1HB SER 44 -10.220 -4.416 -4.416 301 HG SER 44 HG SER 44 -9.227 -6.112 -6.112 302 H CYS 45 H CYS 45 -6.608 -2.020 -2.020 303 HA CYS 45 HA CYS 45 -5.338 -1.509 -1.509 304 1HB CYS 45 2HB CYS 45 -3.273 -1.153 -1.153 305 2HB CYS 45 1HB CYS 45 -3.880 -2.776 -2.776 306 H ALA 46 H ALA 46 -4.382 0.438 0.438 307 HA ALA 46 HA ALA 46 -5.343 2.789 2.789 308 1HB ALA 46 2HB ALA 46 -4.842 2.198 2.198 309 2HB ALA 46 1HB ALA 46 -4.841 3.867 3.867 310 3HB ALA 46 3HB ALA 46 -6.285 2.872 2.872 311 H THR 47 H THR 47 -2.592 0.953 0.953 312 HA THR 47 HA THR 47 -0.771 3.320 3.320 313 HB THR 47 HB THR 47 -0.728 1.660 1.660 314 HG1 THR 47 1HG THR 47 1.544 2.113 2.113 315 1HG2 THR 47 2HG2 THR 47 -0.887 -0.243 -0.243 316 2HG2 THR 47 1HG2 THR 47 0.869 -0.145 -0.145 317 3HG2 THR 47 3HG2 THR 47 -0.101 -0.526 -0.526 318 H CYS 48 H CYS 48 -1.724 0.415 0.415 319 HA CYS 48 HA CYS 48 0.707 0.298 0.298 320 1HB CYS 48 2HB CYS 48 -2.031 -0.779 -0.779 321 2HB CYS 48 1HB CYS 48 -0.490 -1.307 -1.307 322 H HIS 49 H HIS 49 -1.307 2.818 2.818 323 HA HIS 49 HA HIS 49 -2.391 3.409 3.409 324 1HB HIS 49 2HB HIS 49 -2.246 4.868 4.868 325 2HB HIS 49 1HB HIS 49 -0.567 5.207 5.207 326 HD1 HIS 49 1HD HIS 49 -2.983 7.331 7.331 327 HD2 HIS 49 2HD HIS 49 -1.316 5.538 5.538 328 HE1 HIS 49 1HE HIS 49 -3.481 8.867 8.867 329 H VAL 50 H VAL 50 -1.508 3.334 3.334 330 HA VAL 50 HA VAL 50 1.366 4.036 4.036 331 HB VAL 50 HB VAL 50 1.549 2.011 2.011 332 1HG1 VAL 50 1HG1 VAL 50 1.745 2.233 2.233 333 2HG1 VAL 50 3HG1 VAL 50 0.966 0.680 0.680 334 3HG1 VAL 50 2HG1 VAL 50 2.529 1.041 1.041 335 1HG2 VAL 50 1HG2 VAL 50 -0.989 1.812 1.812 336 2HG2 VAL 50 3HG2 VAL 50 -0.116 0.304 0.304 337 3HG2 VAL 50 2HG2 VAL 50 -0.948 1.097 1.097 338 H TYR 51 H TYR 51 1.852 4.428 4.428 339 HA TYR 51 HA TYR 51 -0.580 5.348 5.348 340 1HB TYR 51 2HB TYR 51 2.156 6.457 6.457 341 2HB TYR 51 1HB TYR 51 1.269 6.960 6.960 342 HD1 TYR 51 1HD TYR 51 -1.258 6.195 6.195 343 HD2 TYR 51 2HD TYR 51 1.829 9.137 9.137 344 HE1 TYR 51 1HE TYR 51 -2.563 7.835 7.835 345 HE2 TYR 51 2HE TYR 51 0.503 10.774 10.774 346 HH TYR 51 HH TYR 51 -2.638 10.518 10.518 347 H VAL 52 H VAL 52 -0.907 4.336 4.336 348 HA VAL 52 HA VAL 52 1.349 2.828 2.828 349 HB VAL 52 HB VAL 52 -1.567 2.747 2.747 350 1HG1 VAL 52 2HG1 VAL 52 0.467 1.590 1.590 351 2HG1 VAL 52 1HG1 VAL 52 0.367 0.446 0.446 352 3HG1 VAL 52 3HG1 VAL 52 -1.023 0.675 0.675 353 1HG2 VAL 52 1HG2 VAL 52 -0.354 1.934 1.934 354 2HG2 VAL 52 3HG2 VAL 52 -2.060 2.012 2.012 355 3HG2 VAL 52 2HG2 VAL 52 -1.108 0.583 0.583 356 H ASN 53 H ASN 53 1.442 3.089 3.089 357 HA ASN 53 HA ASN 53 1.302 5.975 5.975 358 1HB ASN 53 2HB ASN 53 2.362 5.222 5.222 359 2HB ASN 53 1HB ASN 53 3.159 4.421 4.421 360 1HD2 ASN 53 2HD2 ASN 53 1.864 1.263 1.263 361 2HD2 ASN 53 1HD2 ASN 53 2.635 2.170 2.170 362 H GLU 54 H GLU 54 -0.341 6.925 6.925 363 HA GLU 54 HA GLU 54 -2.896 6.036 6.036 364 1HB GLU 54 2HB GLU 54 -2.977 7.592 7.592 365 2HB GLU 54 1HB GLU 54 -2.097 8.268 8.268 366 1HG GLU 54 2HG GLU 54 -0.111 6.930 6.930 367 2HG GLU 54 1HG GLU 54 -1.119 7.540 7.540 368 H ALA 55 H ALA 55 -0.157 4.917 4.917 369 HA ALA 55 HA ALA 55 -1.696 3.792 3.792 370 1HB ALA 55 3HB ALA 55 0.984 4.192 4.192 371 2HB ALA 55 2HB ALA 55 0.810 2.446 2.446 372 3HB ALA 55 1HB ALA 55 0.401 3.513 3.513 373 H PHE 56 H PHE 56 -0.452 2.379 2.379 374 HA PHE 56 HA PHE 56 -1.830 -0.174 -0.174 375 1HB PHE 56 2HB PHE 56 0.285 0.631 0.631 376 2HB PHE 56 1HB PHE 56 -0.456 -0.961 -0.961 377 HD1 PHE 56 2HD PHE 56 1.477 1.418 1.418 378 HD2 PHE 56 1HD PHE 56 0.237 -2.697 -2.697 379 HE1 PHE 56 2HE PHE 56 2.951 0.738 0.738 380 HE2 PHE 56 1HE PHE 56 1.712 -3.326 -3.326 381 HZ PHE 56 HZ PHE 56 3.072 -1.633 -1.633 382 H THR 57 H THR 57 -2.177 2.585 2.585 383 HA THR 57 HA THR 57 -3.836 1.147 1.147 384 HB THR 57 HB THR 57 -3.428 2.997 2.997 385 HG1 THR 57 1HG THR 57 -4.554 4.550 4.550 386 1HG2 THR 57 2HG2 THR 57 -1.445 3.221 3.221 387 2HG2 THR 57 1HG2 THR 57 -2.378 4.518 4.518 388 3HG2 THR 57 3HG2 THR 57 -1.886 4.643 4.643 389 H ASP 58 H ASP 58 -4.264 2.797 2.797 390 HA ASP 58 HA ASP 58 -7.159 3.197 3.197 391 1HB ASP 58 2HB ASP 58 -6.952 4.037 4.037 392 2HB ASP 58 1HB ASP 58 -5.604 4.654 4.654 393 H LYS 59 H LYS 59 -4.986 0.741 0.741 394 HA LYS 59 HA LYS 59 -6.978 -0.701 -0.701 395 1HB LYS 59 2HB LYS 59 -4.226 -1.344 -1.344 396 2HB LYS 59 1HB LYS 59 -5.106 -2.396 -2.396 397 1HG LYS 59 2HG LYS 59 -4.109 0.414 0.414 398 2HG LYS 59 1HG LYS 59 -3.640 -1.066 -1.066 399 1HD LYS 59 2HD LYS 59 -6.277 -1.178 -1.178 400 2HD LYS 59 1HD LYS 59 -6.117 0.571 0.571 401 1HE LYS 59 2HE LYS 59 -5.418 0.606 0.606 402 2HE LYS 59 1HE LYS 59 -3.942 -0.215 -0.215 403 1HZ LYS 59 3HZ LYS 59 -6.493 -1.601 -1.601 404 2HZ LYS 59 2HZ LYS 59 -5.184 -1.485 -1.485 405 3HZ LYS 59 1HZ LYS 59 -5.011 -2.329 -2.329 406 H VAL 60 H VAL 60 -5.335 -1.229 -1.229 407 HA VAL 60 HA VAL 60 -6.432 -3.588 -3.588 408 HB VAL 60 HB VAL 60 -6.382 -2.309 -2.309 409 1HG1 VAL 60 1HG1 VAL 60 -4.378 -3.337 -3.337 410 2HG1 VAL 60 3HG1 VAL 60 -3.760 -1.784 -1.784 411 3HG1 VAL 60 2HG1 VAL 60 -4.253 -3.012 -3.012 412 1HG2 VAL 60 2HG2 VAL 60 -6.779 -0.096 -0.096 413 2HG2 VAL 60 1HG2 VAL 60 -5.573 -0.100 -0.100 414 3HG2 VAL 60 3HG2 VAL 60 -5.064 -0.180 -0.180 415 HA PRO 61 HA PRO 61 -10.772 -3.193 -3.193 416 1HB PRO 61 2HB PRO 61 -11.160 -3.988 -3.988 417 2HB PRO 61 1HB PRO 61 -10.812 -5.106 -5.106 418 1HG PRO 61 2HG PRO 61 -8.939 -3.930 -3.930 419 2HG PRO 61 1HG PRO 61 -9.058 -5.604 -5.604 420 1HD PRO 61 2HD PRO 61 -7.161 -3.974 -3.974 421 2HD PRO 61 1HD PRO 61 -7.992 -5.129 -5.129 422 H ALA 62 H ALA 62 -12.441 -2.092 -2.092 423 HA ALA 62 HA ALA 62 -11.666 0.617 0.617 424 1HB ALA 62 1HB ALA 62 -13.776 -0.757 -0.757 425 2HB ALA 62 3HB ALA 62 -14.442 -0.209 -0.209 426 3HB ALA 62 2HB ALA 62 -13.767 0.963 0.963 427 H ALA 63 H ALA 63 -10.951 0.982 0.982 428 HA ALA 63 HA ALA 63 -11.567 -0.681 -0.681 429 1HB ALA 63 3HB ALA 63 -10.464 2.128 2.128 430 2HB ALA 63 2HB ALA 63 -10.455 1.237 1.237 431 3HB ALA 63 1HB ALA 63 -9.529 0.638 0.638 432 H ASN 64 H ASN 64 -13.036 -0.264 -0.264 433 HA ASN 64 HA ASN 64 -15.259 1.608 1.608 434 1HB ASN 64 2HB ASN 64 -16.392 0.261 0.261 435 2HB ASN 64 1HB ASN 64 -15.896 -0.678 -0.678 436 1HD2 ASN 64 2HD2 ASN 64 -14.624 -2.694 -2.694 437 2HD2 ASN 64 1HD2 ASN 64 -16.084 -2.383 -2.383 438 H GLU 65 H GLU 65 -16.326 2.263 2.263 439 HA GLU 65 HA GLU 65 -14.804 4.380 4.380 440 1HB GLU 65 2HB GLU 65 -16.584 4.520 4.520 441 2HB GLU 65 1HB GLU 65 -17.305 3.727 3.727 442 1HG GLU 65 2HG GLU 65 -18.019 2.310 2.310 443 2HG GLU 65 1HG GLU 65 -16.508 1.525 1.525 444 H ARG 66 H ARG 66 -14.736 0.958 0.958 445 HA ARG 66 HA ARG 66 -13.471 1.174 1.174 446 1HB ARG 66 2HB ARG 66 -14.289 -0.818 -0.818 447 2HB ARG 66 1HB ARG 66 -12.617 -1.157 -1.157 448 1HG ARG 66 2HG ARG 66 -13.290 -0.927 -0.927 449 2HG ARG 66 1HG ARG 66 -14.968 -0.803 -0.803 450 1HD ARG 66 2HD ARG 66 -13.101 -3.157 -3.157 451 2HD ARG 66 1HD ARG 66 -14.535 -3.130 -3.130 452 HE ARG 66 HE ARG 66 -15.650 -2.361 -2.361 453 1HH1 ARG 66 1HH2 ARG 66 -12.900 -3.709 -3.709 454 2HH1 ARG 66 2HH2 ARG 66 -13.537 -5.198 -5.198 455 1HH2 ARG 66 1HH1 ARG 66 -16.665 -4.756 -4.756 456 2HH2 ARG 66 2HH1 ARG 66 -15.668 -5.791 -5.791 457 H GLU 67 H GLU 67 -12.286 1.694 1.694 458 HA GLU 67 HA GLU 67 -9.458 1.398 1.398 459 1HB GLU 67 2HB GLU 67 -9.919 0.343 0.343 460 2HB GLU 67 1HB GLU 67 -11.003 1.634 1.634 461 1HG GLU 67 2HG GLU 67 -8.177 2.378 2.378 462 2HG GLU 67 1HG GLU 67 -8.495 1.422 1.422 463 H ILE 68 H ILE 68 -11.811 3.724 3.724 464 HA ILE 68 HA ILE 68 -10.144 5.983 5.983 465 HB ILE 68 HB ILE 68 -12.976 5.487 5.487 466 1HG1 ILE 68 2HG1 ILE 68 -13.504 6.233 6.233 467 2HG1 ILE 68 1HG1 ILE 68 -11.955 7.053 7.053 468 1HG2 ILE 68 3HG2 ILE 68 -12.172 7.564 7.564 469 2HG2 ILE 68 2HG2 ILE 68 -11.796 8.248 8.248 470 3HG2 ILE 68 1HG2 ILE 68 -13.465 7.855 7.855 471 1HD1 ILE 68 3HD1 ILE 68 -12.162 4.053 4.053 472 2HD1 ILE 68 2HD1 ILE 68 -12.202 4.829 4.829 473 3HD1 ILE 68 1HD1 ILE 68 -10.776 4.986 4.986 474 H GLY 69 H GLY 69 -11.927 5.246 5.246 475 1HA GLY 69 2HA GLY 69 -10.332 7.207 7.207 476 2HA GLY 69 1HA GLY 69 -11.517 6.116 6.116 477 H MET 70 H MET 70 -10.526 3.653 3.653 478 HA MET 70 HA MET 70 -8.588 2.930 2.930 479 1HB MET 70 2HB MET 70 -9.978 1.851 1.851 480 2HB MET 70 1HB MET 70 -8.324 1.684 1.684 481 1HG MET 70 2HG MET 70 -7.798 0.273 0.273 482 2HG MET 70 1HG MET 70 -9.211 0.785 0.785 483 1HE MET 70 3HE MET 70 -8.598 0.036 0.036 484 2HE MET 70 2HE MET 70 -7.738 -1.271 -1.271 485 3HE MET 70 1HE MET 70 -9.119 -1.656 -1.656 486 H LEU 71 H LEU 71 -8.247 3.647 3.647 487 HA LEU 71 HA LEU 71 -5.383 3.642 3.642 488 1HB LEU 71 2HB LEU 71 -7.202 3.110 3.110 489 2HB LEU 71 1HB LEU 71 -7.590 4.836 4.836 490 HG LEU 71 HG LEU 71 -5.381 3.393 3.393 491 1HD1 LEU 71 1HD1 LEU 71 -7.413 5.355 5.355 492 2HD1 LEU 71 3HD1 LEU 71 -5.841 6.023 6.023 493 3HD1 LEU 71 2HD1 LEU 71 -6.384 4.500 4.500 494 1HD2 LEU 71 1HD2 LEU 71 -4.144 4.691 4.691 495 2HD2 LEU 71 3HD2 LEU 71 -3.801 5.239 5.239 496 3HD2 LEU 71 2HD2 LEU 71 -4.900 6.161 6.161 497 H GLU 72 H GLU 72 -7.842 6.150 6.150 498 HA GLU 72 HA GLU 72 -5.821 8.304 8.304 499 1HB GLU 72 2HB GLU 72 -7.959 8.844 8.844 500 2HB GLU 72 1HB GLU 72 -8.794 8.131 8.131 501 1HG GLU 72 2HG GLU 72 -8.450 9.966 9.966 502 2HG GLU 72 1HG GLU 72 -6.887 10.343 10.343 503 H CYS 73 H CYS 73 -6.626 6.068 6.068 504 HA CYS 73 HA CYS 73 -6.993 7.485 7.485 505 1HB CYS 73 2HB CYS 73 -6.084 4.912 4.912 506 2HB CYS 73 1HB CYS 73 -4.992 5.470 5.470 507 HG CYS 73 HG CYS 73 -8.077 5.501 5.501 508 H VAL 74 H VAL 74 -3.884 6.675 6.675 509 HA VAL 74 HA VAL 74 -2.464 8.638 8.638 510 HB VAL 74 HB VAL 74 -0.489 7.681 7.681 511 1HG1 VAL 74 2HG1 VAL 74 -2.568 5.954 5.954 512 2HG1 VAL 74 1HG1 VAL 74 -1.202 5.143 5.143 513 3HG1 VAL 74 3HG1 VAL 74 -0.922 6.302 6.302 514 1HG2 VAL 74 2HG2 VAL 74 -2.579 6.823 6.823 515 2HG2 VAL 74 1HG2 VAL 74 -0.852 7.046 7.046 516 3HG2 VAL 74 3HG2 VAL 74 -1.449 5.535 5.535 517 H THR 75 H THR 75 -2.806 10.757 10.757 518 HA THR 75 HA THR 75 -3.525 11.622 11.622 519 HB THR 75 HB THR 75 -1.965 12.739 12.739 520 HG1 THR 75 1HG THR 75 -3.707 14.397 14.397 521 1HG2 THR 75 2HG2 THR 75 -1.731 13.712 13.712 522 2HG2 THR 75 1HG2 THR 75 -2.110 14.948 14.948 523 3HG2 THR 75 3HG2 THR 75 -0.655 13.965 13.965 524 H ALA 76 H ALA 76 -2.536 10.685 10.685 525 HA ALA 76 HA ALA 76 0.439 10.965 10.965 526 1HB ALA 76 1HB ALA 76 -1.213 8.709 8.709 527 2HB ALA 76 3HB ALA 76 -0.833 9.046 9.046 528 3HB ALA 76 2HB ALA 76 0.466 8.791 8.791 529 H GLU 77 H GLU 77 -1.963 12.743 12.743 530 HA GLU 77 HA GLU 77 -2.431 14.277 14.277 531 1HB GLU 77 2HB GLU 77 -0.555 14.835 14.835 532 2HB GLU 77 1HB GLU 77 0.236 13.540 13.540 533 1HG GLU 77 2HG GLU 77 -0.705 12.016 12.016 534 2HG GLU 77 1HG GLU 77 -0.828 13.534 13.534 535 H LEU 78 H LEU 78 -3.712 11.852 11.852 536 HA LEU 78 HA LEU 78 -4.429 9.954 9.954 537 1HB LEU 78 2HB LEU 78 -5.851 10.811 10.811 538 2HB LEU 78 1HB LEU 78 -6.167 12.279 12.279 539 HG LEU 78 HG LEU 78 -7.438 11.093 11.093 540 1HD1 LEU 78 1HD1 LEU 78 -5.885 8.795 8.795 541 2HD1 LEU 78 3HD1 LEU 78 -7.562 8.432 8.432 542 3HD1 LEU 78 2HD1 LEU 78 -6.486 9.110 9.110 543 1HD2 LEU 78 1HD2 LEU 78 -7.946 10.274 10.274 544 2HD2 LEU 78 3HD2 LEU 78 -8.883 11.358 11.358 545 3HD2 LEU 78 2HD2 LEU 78 -8.962 9.614 9.614 546 H LYS 79 H LYS 79 -4.798 9.526 9.526 547 HA LYS 79 HA LYS 79 -5.403 11.813 11.813 548 1HB LYS 79 2HB LYS 79 -3.874 9.424 9.424 549 2HB LYS 79 1HB LYS 79 -3.729 11.109 11.109 550 1HG LYS 79 2HG LYS 79 -2.713 11.578 11.578 551 2HG LYS 79 1HG LYS 79 -2.654 9.836 9.836 552 1HD LYS 79 2HD LYS 79 -0.644 9.921 9.921 553 2HD LYS 79 1HD LYS 79 -1.573 10.125 10.125 554 1HE LYS 79 2HE LYS 79 -1.602 12.634 12.634 555 2HE LYS 79 1HE LYS 79 -0.297 12.253 12.253 556 1HZ LYS 79 1HZ LYS 79 0.733 10.985 10.985 557 2HZ LYS 79 3HZ LYS 79 -0.349 11.823 11.823 558 3HZ LYS 79 2HZ LYS 79 0.797 12.680 12.680 559 HA PRO 80 HA PRO 80 -8.401 9.072 9.072 560 1HB PRO 80 2HB PRO 80 -7.890 8.946 8.946 561 2HB PRO 80 1HB PRO 80 -8.517 10.405 10.405 562 1HG PRO 80 2HG PRO 80 -5.813 9.820 9.820 563 2HG PRO 80 1HG PRO 80 -6.638 11.371 11.371 564 1HD PRO 80 2HD PRO 80 -4.676 10.285 10.285 565 2HD PRO 80 1HD PRO 80 -5.696 11.701 11.701 566 H ASN 81 H ASN 81 -5.110 8.247 8.247 567 HA ASN 81 HA ASN 81 -5.841 5.432 5.432 568 1HB ASN 81 2HB ASN 81 -3.384 5.353 5.353 569 2HB ASN 81 1HB ASN 81 -4.294 6.554 6.554 570 1HD2 ASN 81 2HD2 ASN 81 -1.123 7.881 7.881 571 2HD2 ASN 81 1HD2 ASN 81 -1.354 6.337 6.337 572 H SER 82 H SER 82 -4.789 7.318 7.318 573 HA SER 82 HA SER 82 -3.002 5.716 5.716 574 1HB SER 82 2HB SER 82 -5.489 7.085 7.085 575 2HB SER 82 1HB SER 82 -4.010 6.758 6.758 576 HG SER 82 HG SER 82 -3.141 8.018 8.018 577 H ARG 83 H ARG 83 -3.309 4.053 4.053 578 HA ARG 83 HA ARG 83 -5.816 2.755 2.755 579 1HB ARG 83 2HB ARG 83 -4.461 2.132 2.132 580 2HB ARG 83 1HB ARG 83 -4.546 0.698 0.698 581 1HG ARG 83 2HG ARG 83 -6.849 0.621 0.621 582 2HG ARG 83 1HG ARG 83 -7.007 2.370 2.370 583 1HD ARG 83 2HD ARG 83 -7.509 1.936 1.936 584 2HD ARG 83 1HD ARG 83 -5.761 1.720 1.720 585 HE ARG 83 HE ARG 83 -6.152 -0.722 -0.722 586 1HH1 ARG 83 1HH2 ARG 83 -8.128 1.110 1.110 587 2HH1 ARG 83 2HH2 ARG 83 -9.362 -0.093 -0.093 588 1HH2 ARG 83 1HH1 ARG 83 -8.007 -2.208 -2.208 589 2HH2 ARG 83 2HH1 ARG 83 -9.293 -1.972 -1.972 590 H LEU 84 H LEU 84 -5.471 0.966 0.966 591 HA LEU 84 HA LEU 84 -2.998 1.180 1.180 592 1HB LEU 84 2HB LEU 84 -5.542 -0.412 -0.412 593 2HB LEU 84 1HB LEU 84 -4.208 -0.935 -0.935 594 HG LEU 84 HG LEU 84 -5.126 1.923 1.923 595 1HD1 LEU 84 3HD1 LEU 84 -7.047 0.440 0.440 596 2HD1 LEU 84 2HD1 LEU 84 -6.184 -0.400 -0.400 597 3HD1 LEU 84 1HD1 LEU 84 -6.652 1.308 1.308 598 1HD2 LEU 84 3HD2 LEU 84 -2.968 0.796 0.796 599 2HD2 LEU 84 2HD2 LEU 84 -3.873 2.069 2.069 600 3HD2 LEU 84 1HD2 LEU 84 -4.150 0.377 0.377 601 H SER 85 H SER 85 -1.363 -0.498 -0.498 602 HA SER 85 HA SER 85 -0.511 -1.788 -1.788 603 1HB SER 85 2HB SER 85 0.891 -3.082 -3.082 604 2HB SER 85 1HB SER 85 0.637 -1.571 -1.571 605 HG SER 85 HG SER 85 0.187 -3.084 -3.084 606 H CYS 86 H CYS 86 -3.077 -2.691 -2.691 607 HA CYS 86 HA CYS 86 -3.482 -5.286 -5.286 608 1HB CYS 86 2HB CYS 86 -4.818 -4.528 -4.528 609 2HB CYS 86 1HB CYS 86 -4.319 -6.112 -6.112 610 H GLN 87 H GLN 87 -4.257 -2.967 -2.967 611 HA GLN 87 HA GLN 87 -7.242 -3.051 -3.051 612 1HB GLN 87 2HB GLN 87 -5.562 -0.955 -0.955 613 2HB GLN 87 1HB GLN 87 -5.942 -0.666 -0.666 614 1HG GLN 87 2HG GLN 87 -7.578 0.473 0.473 615 2HG GLN 87 1HG GLN 87 -8.365 -0.848 -0.848 616 1HE2 GLN 87 2HE2 GLN 87 -7.501 -2.258 -2.258 617 2HE2 GLN 87 1HE2 GLN 87 -6.299 -1.985 -1.985 618 H ILE 88 H ILE 88 -4.422 -2.833 -2.833 619 HA ILE 88 HA ILE 88 -6.121 -3.181 -3.181 620 HB ILE 88 HB ILE 88 -3.296 -2.799 -2.799 621 1HG1 ILE 88 2HG1 ILE 88 -4.606 -0.862 -0.862 622 2HG1 ILE 88 1HG1 ILE 88 -3.049 -1.668 -1.668 623 1HG2 ILE 88 1HG2 ILE 88 -5.765 -2.075 -2.075 624 2HG2 ILE 88 3HG2 ILE 88 -5.051 -0.542 -0.542 625 3HG2 ILE 88 2HG2 ILE 88 -4.184 -1.595 -1.595 626 1HD1 ILE 88 2HD1 ILE 88 -2.951 -0.267 -0.267 627 2HD1 ILE 88 1HD1 ILE 88 -3.645 0.847 0.847 628 3HD1 ILE 88 3HD1 ILE 88 -2.072 0.109 0.109 629 H ILE 89 H ILE 89 -5.705 -4.944 -4.944 630 HA ILE 89 HA ILE 89 -4.033 -7.109 -7.109 631 HB ILE 89 HB ILE 89 -6.523 -7.009 -7.009 632 1HG1 ILE 89 2HG1 ILE 89 -6.986 -6.949 -6.949 633 2HG1 ILE 89 1HG1 ILE 89 -7.272 -8.616 -8.616 634 1HG2 ILE 89 3HG2 ILE 89 -4.938 -8.671 -8.671 635 2HG2 ILE 89 2HG2 ILE 89 -4.860 -9.466 -9.466 636 3HG2 ILE 89 1HG2 ILE 89 -6.381 -9.426 -9.426 637 1HD1 ILE 89 1HD1 ILE 89 -4.832 -9.064 -9.064 638 2HD1 ILE 89 3HD1 ILE 89 -4.891 -7.496 -7.496 639 3HD1 ILE 89 2HD1 ILE 89 -5.979 -8.788 -8.788 640 H MET 90 H MET 90 -2.881 -8.481 -8.481 641 HA MET 90 HA MET 90 -1.937 -6.923 -6.923 642 1HB MET 90 2HB MET 90 -0.594 -7.883 -7.883 643 2HB MET 90 1HB MET 90 -0.452 -9.260 -9.260 644 1HG MET 90 2HG MET 90 1.445 -7.694 -7.694 645 2HG MET 90 1HG MET 90 0.482 -7.807 -7.807 646 1HE MET 90 2HE MET 90 0.104 -6.365 -6.365 647 2HE MET 90 1HE MET 90 -1.289 -5.379 -5.379 648 3HE MET 90 3HE MET 90 0.281 -4.617 -4.617 649 H THR 91 H THR 91 -2.914 -7.684 -7.684 650 HA THR 91 HA THR 91 -3.617 -10.571 -10.571 651 HB THR 91 HB THR 91 -4.538 -9.392 -9.392 652 HG1 THR 91 1HG THR 91 -5.218 -7.284 -7.284 653 1HG2 THR 91 1HG2 THR 91 -5.777 -9.221 -9.221 654 2HG2 THR 91 3HG2 THR 91 -6.657 -9.045 -9.045 655 3HG2 THR 91 2HG2 THR 91 -5.902 -10.585 -10.585 656 HA PRO 92 HA PRO 92 -0.409 -11.479 -11.479 657 1HB PRO 92 2HB PRO 92 -1.652 -12.849 -12.849 658 2HB PRO 92 1HB PRO 92 -1.376 -13.531 -13.531 659 1HG PRO 92 2HG PRO 92 -3.857 -12.406 -12.406 660 2HG PRO 92 1HG PRO 92 -3.645 -13.753 -13.753 661 1HD PRO 92 2HD PRO 92 -4.473 -11.235 -11.235 662 2HD PRO 92 1HD PRO 92 -3.696 -12.394 -12.394 663 H GLU 93 H GLU 93 -3.243 -9.940 -9.940 664 HA GLU 93 HA GLU 93 -1.749 -9.071 -9.071 665 1HB GLU 93 2HB GLU 93 -3.876 -7.909 -7.909 666 2HB GLU 93 1HB GLU 93 -4.165 -9.583 -9.583 667 1HG GLU 93 2HG GLU 93 -5.754 -8.518 -8.518 668 2HG GLU 93 1HG GLU 93 -4.398 -8.524 -8.524 669 H LEU 94 H LEU 94 -3.014 -7.505 -7.505 670 HA LEU 94 HA LEU 94 -1.917 -4.901 -4.901 671 1HB LEU 94 2HB LEU 94 -3.603 -6.201 -6.201 672 2HB LEU 94 1HB LEU 94 -2.380 -5.275 -5.275 673 HG LEU 94 HG LEU 94 -4.267 -4.279 -4.279 674 1HD1 LEU 94 3HD1 LEU 94 -4.408 -4.434 -4.434 675 2HD1 LEU 94 2HD1 LEU 94 -4.102 -2.740 -2.740 676 3HD1 LEU 94 1HD1 LEU 94 -5.500 -3.562 -3.562 677 1HD2 LEU 94 3HD2 LEU 94 -1.616 -3.449 -3.449 678 2HD2 LEU 94 2HD2 LEU 94 -2.867 -2.548 -2.548 679 3HD2 LEU 94 1HD2 LEU 94 -2.606 -2.266 -2.266 680 H ASP 95 H ASP 95 0.245 -6.603 -6.603 681 HA ASP 95 HA ASP 95 1.743 -6.494 -6.494 682 1HB ASP 95 2HB ASP 95 3.311 -7.964 -7.964 683 2HB ASP 95 1HB ASP 95 1.732 -8.645 -8.645 684 H GLY 96 H GLY 96 3.850 -5.594 -5.594 685 1HA GLY 96 2HA GLY 96 5.714 -4.341 -4.341 686 2HA GLY 96 1HA GLY 96 4.603 -3.812 -3.812 687 H ILE 97 H ILE 97 3.405 -3.911 -3.911 688 HA ILE 97 HA ILE 97 2.713 -1.140 -1.140 689 HB ILE 97 HB ILE 97 1.245 -2.673 -2.673 690 1HG1 ILE 97 2HG1 ILE 97 2.503 -1.374 -1.374 691 2HG1 ILE 97 1HG1 ILE 97 1.810 -0.362 -0.362 692 1HG2 ILE 97 2HG2 ILE 97 3.633 -3.900 -3.900 693 2HG2 ILE 97 1HG2 ILE 97 2.828 -3.419 -3.419 694 3HG2 ILE 97 3HG2 ILE 97 1.995 -4.455 -4.455 695 1HD1 ILE 97 1HD1 ILE 97 0.024 -2.546 -2.546 696 2HD1 ILE 97 3HD1 ILE 97 0.421 -1.638 -1.638 697 3HD1 ILE 97 2HD1 ILE 97 -0.277 -0.810 -0.810 698 H VAL 98 H VAL 98 3.209 0.473 0.473 699 HA VAL 98 HA VAL 98 5.886 0.454 0.454 700 HB VAL 98 HB VAL 98 4.483 2.755 2.755 701 1HG1 VAL 98 3HG1 VAL 98 7.231 2.212 2.212 702 2HG1 VAL 98 2HG1 VAL 98 7.054 3.331 3.331 703 3HG1 VAL 98 1HG1 VAL 98 6.223 3.648 3.648 704 1HG2 VAL 98 3HG2 VAL 98 5.712 0.383 0.383 705 2HG2 VAL 98 2HG2 VAL 98 4.891 1.715 1.715 706 3HG2 VAL 98 1HG2 VAL 98 6.613 1.829 1.829 707 H VAL 99 H VAL 99 5.010 0.307 0.307 708 HA VAL 99 HA VAL 99 3.033 2.436 2.436 709 HB VAL 99 HB VAL 99 1.963 0.761 0.761 710 1HG1 VAL 99 1HG1 VAL 99 3.187 -0.804 -0.804 711 2HG1 VAL 99 3HG1 VAL 99 4.493 -0.808 -0.808 712 3HG1 VAL 99 2HG1 VAL 99 2.906 -1.467 -1.467 713 1HG2 VAL 99 1HG2 VAL 99 4.468 0.800 0.800 714 2HG2 VAL 99 3HG2 VAL 99 2.891 1.513 1.513 715 3HG2 VAL 99 2HG2 VAL 99 3.091 -0.244 -0.244 716 H ASP 100 H ASP 100 3.320 3.198 3.198 717 HA ASP 100 HA ASP 100 6.151 3.565 3.565 718 1HB ASP 100 2HB ASP 100 4.518 6.028 6.028 719 2HB ASP 100 1HB ASP 100 6.268 5.846 5.846 720 H VAL 101 H VAL 101 6.242 5.163 5.163 721 HA VAL 101 HA VAL 101 3.837 4.757 4.757 722 HB VAL 101 HB VAL 101 6.810 4.921 4.921 723 1HG1 VAL 101 1HG1 VAL 101 5.567 6.433 6.433 724 2HG1 VAL 101 3HG1 VAL 101 4.664 5.017 5.017 725 3HG1 VAL 101 2HG1 VAL 101 6.410 5.094 5.094 726 1HG2 VAL 101 3HG2 VAL 101 5.191 2.788 2.788 727 2HG2 VAL 101 2HG2 VAL 101 6.602 2.721 2.721 728 3HG2 VAL 101 1HG2 VAL 101 4.997 2.965 2.965 729 HA PRO 102 HA PRO 102 3.358 9.161 9.161 730 1HB PRO 102 2HB PRO 102 1.400 9.423 9.423 731 2HB PRO 102 1HB PRO 102 1.110 8.754 8.754 732 1HG PRO 102 2HG PRO 102 1.478 7.336 7.336 733 2HG PRO 102 1HG PRO 102 0.364 6.986 6.986 734 1HD PRO 102 2HD PRO 102 2.679 5.619 5.619 735 2HD PRO 102 1HD PRO 102 1.936 5.820 5.820 736 H ASP 103 H ASP 103 4.401 10.870 10.870 737 HA ASP 103 HA ASP 103 5.256 10.514 10.514 738 1HB ASP 103 2HB ASP 103 6.920 12.404 12.404 739 2HB ASP 103 1HB ASP 103 7.234 10.705 10.705 740 H ARG 104 H ARG 104 3.796 11.636 11.636 741 HA ARG 104 HA ARG 104 3.042 14.395 14.395 742 1HB ARG 104 2HB ARG 104 1.715 12.210 12.210 743 2HB ARG 104 1HB ARG 104 1.285 13.875 13.875 744 1HG ARG 104 2HG ARG 104 1.066 12.520 12.520 745 2HG ARG 104 1HG ARG 104 -0.263 13.095 13.095 746 1HD ARG 104 2HD ARG 104 -0.100 14.932 14.932 747 2HD ARG 104 1HD ARG 104 1.204 15.385 15.385 748 HE ARG 104 HE ARG 104 2.480 13.680 13.680 749 1HH1 ARG 104 1HH2 ARG 104 0.947 16.734 16.734 750 2HH1 ARG 104 2HH2 ARG 104 1.442 17.079 17.079 751 1HH2 ARG 104 1HH1 ARG 104 2.908 13.977 13.977 752 2HH2 ARG 104 2HH1 ARG 104 2.552 15.519 15.519 753 H GLN 105 H GLN 105 5.543 14.320 14.320 754 HA GLN 105 HA GLN 105 5.298 14.973 14.973 755 1HB GLN 105 2HB GLN 105 7.493 14.104 14.104 756 2HB GLN 105 1HB GLN 105 7.898 14.871 14.871 757 1HG GLN 105 2HG GLN 105 6.522 13.176 13.176 758 2HG GLN 105 1HG GLN 105 6.196 12.386 12.386 759 1HE2 GLN 105 2HE2 GLN 105 10.105 12.297 12.297 760 2HE2 GLN 105 1HE2 GLN 105 9.181 13.695 13.695 761 H TRP 106 H TRP 106 4.245 17.085 17.085 762 HA TRP 106 HA TRP 106 6.404 19.085 19.085 763 1HB TRP 106 2HB TRP 106 3.597 18.854 18.854 764 2HB TRP 106 1HB TRP 106 4.661 20.235 20.235 765 HD1 TRP 106 HD TRP 106 3.836 16.888 16.888 766 HE1 TRP 106 1HE TRP 106 5.542 16.186 16.186 767 HE3 TRP 106 3HE TRP 106 7.428 20.438 20.438 768 HZ2 TRP 106 2HZ TRP 106 8.096 17.021 17.021 769 HZ3 TRP 106 3HZ TRP 106 9.487 20.462 20.462 770 HH2 TRP 106 HH TRP 106 9.824 18.759 18.759 Start of MODEL 20 1 1H SER 1 1HT SER 1 2.211 -10.663 -10.663 2 2H SER 1 3HT SER 1 1.304 -11.216 -11.216 3 3H SER 1 2HT SER 1 2.938 -11.660 -11.660 4 HA SER 1 HA SER 1 2.825 -9.960 -9.960 5 1HB SER 1 2HB SER 1 1.726 -7.894 -7.894 6 2HB SER 1 1HB SER 1 1.186 -8.393 -8.393 7 HG SER 1 HG SER 1 0.612 -9.670 -9.670 8 H LYS 2 H LYS 2 4.444 -8.286 -8.286 9 HA LYS 2 HA LYS 2 6.460 -8.375 -8.375 10 1HB LYS 2 2HB LYS 2 6.495 -8.000 -8.000 11 2HB LYS 2 1HB LYS 2 6.389 -6.305 -6.305 12 1HG LYS 2 2HG LYS 2 8.496 -6.292 -6.292 13 2HG LYS 2 1HG LYS 2 8.362 -7.943 -7.943 14 1HD LYS 2 2HD LYS 2 9.881 -8.284 -8.284 15 2HD LYS 2 1HD LYS 2 8.376 -8.517 -8.517 16 1HE LYS 2 2HE LYS 2 9.022 -5.697 -5.697 17 2HE LYS 2 1HE LYS 2 10.387 -6.619 -6.619 18 1HZ LYS 2 1HZ LYS 2 8.688 -7.862 -7.862 19 2HZ LYS 2 3HZ LYS 2 7.556 -6.686 -6.686 20 3HZ LYS 2 2HZ LYS 2 8.918 -6.241 -6.241 21 H VAL 3 H VAL 3 6.308 -7.115 -7.115 22 HA VAL 3 HA VAL 3 4.865 -4.499 -4.499 23 HB VAL 3 HB VAL 3 4.997 -6.580 -6.580 24 1HG1 VAL 3 2HG1 VAL 3 4.081 -3.697 -3.697 25 2HG1 VAL 3 1HG1 VAL 3 3.724 -4.934 -4.934 26 3HG1 VAL 3 3HG1 VAL 3 5.394 -4.448 -4.448 27 1HG2 VAL 3 2HG2 VAL 3 3.264 -6.425 -6.425 28 2HG2 VAL 3 1HG2 VAL 3 2.685 -6.721 -6.721 29 3HG2 VAL 3 3HG2 VAL 3 2.592 -5.102 -5.102 30 H VAL 4 H VAL 4 5.789 -2.698 -2.698 31 HA VAL 4 HA VAL 4 8.481 -3.057 -3.057 32 HB VAL 4 HB VAL 4 7.587 -1.278 -1.278 33 1HG1 VAL 4 1HG1 VAL 4 9.484 -0.658 -0.658 34 2HG1 VAL 4 3HG1 VAL 4 10.186 -0.519 -0.519 35 3HG1 VAL 4 2HG1 VAL 4 8.751 0.416 0.416 36 1HG2 VAL 4 3HG2 VAL 4 9.363 -3.561 -3.561 37 2HG2 VAL 4 2HG2 VAL 4 8.704 -2.893 -2.893 38 3HG2 VAL 4 1HG2 VAL 4 10.175 -2.214 -2.214 39 H TYR 5 H TYR 5 8.564 -2.136 -2.136 40 HA TYR 5 HA TYR 5 6.433 -0.234 -0.234 41 1HB TYR 5 2HB TYR 5 8.504 -1.788 -1.788 42 2HB TYR 5 1HB TYR 5 7.093 -0.964 -0.964 43 HD1 TYR 5 2HD TYR 5 4.838 -1.535 -1.535 44 HD2 TYR 5 1HD TYR 5 8.278 -4.133 -4.133 45 HE1 TYR 5 2HE TYR 5 3.408 -3.508 -3.508 46 HE2 TYR 5 1HE TYR 5 6.846 -6.005 -6.005 47 HH TYR 5 HH TYR 5 3.845 -6.284 -6.284 48 H VAL 6 H VAL 6 6.872 1.829 1.829 49 HA VAL 6 HA VAL 6 9.778 2.632 2.632 50 HB VAL 6 HB VAL 6 7.512 4.487 4.487 51 1HG1 VAL 6 3HG1 VAL 6 10.050 5.069 5.069 52 2HG1 VAL 6 2HG1 VAL 6 10.281 4.515 4.515 53 3HG1 VAL 6 1HG1 VAL 6 9.197 5.865 5.865 54 1HG2 VAL 6 1HG2 VAL 6 7.485 2.395 2.395 55 2HG2 VAL 6 3HG2 VAL 6 7.698 3.915 3.915 56 3HG2 VAL 6 2HG2 VAL 6 9.087 2.869 2.869 57 H SER 7 H SER 7 10.399 3.626 3.626 58 HA SER 7 HA SER 7 8.429 3.971 3.971 59 1HB SER 7 2HB SER 7 10.486 4.692 4.692 60 2HB SER 7 1HB SER 7 10.715 3.150 3.150 61 HG SER 7 HG SER 7 11.391 5.660 5.660 62 H HIS 8 H HIS 8 9.688 6.410 6.410 63 HA HIS 8 HA HIS 8 8.557 8.358 8.358 64 1HB HIS 8 2HB HIS 8 8.641 9.696 9.696 65 2HB HIS 8 1HB HIS 8 7.244 8.804 8.804 66 HD1 HIS 8 1HD HIS 8 6.352 7.302 7.302 67 HD2 HIS 8 2HD HIS 8 10.472 7.683 7.683 68 HE1 HIS 8 1HE HIS 8 7.001 5.838 5.838 69 H ASP 9 H ASP 9 11.410 7.217 7.217 70 HA ASP 9 HA ASP 9 12.853 9.808 9.808 71 1HB ASP 9 2HB ASP 9 14.614 8.653 8.653 72 2HB ASP 9 1HB ASP 9 13.089 8.324 8.324 73 H GLY 10 H GLY 10 11.896 7.292 7.292 74 1HA GLY 10 2HA GLY 10 12.665 7.300 7.300 75 2HA GLY 10 1HA GLY 10 14.299 7.576 7.576 76 H THR 11 H THR 11 13.683 5.524 5.524 77 HA THR 11 HA THR 11 14.970 3.297 3.297 78 HB THR 11 HB THR 11 13.583 4.103 4.103 79 HG1 THR 11 1HG THR 11 15.780 3.223 3.223 80 1HG2 THR 11 2HG2 THR 11 11.865 2.401 2.401 81 2HG2 THR 11 1HG2 THR 11 13.112 1.180 1.180 82 3HG2 THR 11 3HG2 THR 11 12.511 2.118 2.118 83 H ARG 12 H ARG 12 14.324 1.564 1.564 84 HA ARG 12 HA ARG 12 11.438 1.352 1.352 85 1HB ARG 12 2HB ARG 12 13.969 1.429 1.429 86 2HB ARG 12 1HB ARG 12 12.558 0.581 0.581 87 1HG ARG 12 2HG ARG 12 11.278 2.774 2.774 88 2HG ARG 12 1HG ARG 12 12.883 3.504 3.504 89 1HD ARG 12 2HD ARG 12 13.215 2.852 2.852 90 2HD ARG 12 1HD ARG 12 11.720 1.896 1.896 91 HE ARG 12 HE ARG 12 10.529 4.099 4.099 92 1HH1 ARG 12 1HH2 ARG 12 13.171 5.625 5.625 93 2HH1 ARG 12 2HH2 ARG 12 13.220 6.430 6.430 94 1HH2 ARG 12 1HH1 ARG 12 10.777 4.425 4.425 95 2HH2 ARG 12 2HH1 ARG 12 11.864 5.750 5.750 96 H ARG 13 H ARG 13 10.661 -0.779 -0.779 97 HA ARG 13 HA ARG 13 12.551 -3.047 -3.047 98 1HB ARG 13 2HB ARG 13 11.140 -2.067 -2.067 99 2HB ARG 13 1HB ARG 13 9.842 -3.004 -3.004 100 1HG ARG 13 2HG ARG 13 10.756 -4.988 -4.988 101 2HG ARG 13 1HG ARG 13 12.395 -4.452 -4.452 102 1HD ARG 13 2HD ARG 13 10.844 -3.631 -3.631 103 2HD ARG 13 1HD ARG 13 12.125 -4.859 -4.859 104 HE ARG 13 HE ARG 13 12.555 -1.979 -1.979 105 1HH1 ARG 13 1HH2 ARG 13 14.894 -2.290 -2.290 106 2HH1 ARG 13 2HH2 ARG 13 15.943 -2.997 -2.997 107 1HH2 ARG 13 1HH1 ARG 13 13.353 -4.097 -4.097 108 2HH2 ARG 13 2HH1 ARG 13 15.071 -4.020 -4.020 109 H GLU 14 H GLU 14 12.257 -4.403 -4.403 110 HA GLU 14 HA GLU 14 9.615 -4.381 -4.381 111 1HB GLU 14 2HB GLU 14 12.238 -5.649 -5.649 112 2HB GLU 14 1HB GLU 14 10.861 -5.268 -5.268 113 1HG GLU 14 2HG GLU 14 11.968 -3.336 -3.336 114 2HG GLU 14 1HG GLU 14 11.395 -2.829 -2.829 115 H LEU 15 H LEU 15 8.216 -6.044 -6.044 116 HA LEU 15 HA LEU 15 9.313 -8.581 -8.581 117 1HB LEU 15 2HB LEU 15 6.777 -7.015 -7.015 118 2HB LEU 15 1HB LEU 15 6.682 -8.760 -8.760 119 HG LEU 15 HG LEU 15 8.430 -6.885 -6.885 120 1HD1 LEU 15 3HD1 LEU 15 5.748 -7.973 -7.973 121 2HD1 LEU 15 2HD1 LEU 15 6.812 -8.507 -8.507 122 3HD1 LEU 15 1HD1 LEU 15 6.582 -6.786 -6.786 123 1HD2 LEU 15 3HD2 LEU 15 9.401 -9.159 -9.159 124 2HD2 LEU 15 2HD2 LEU 15 9.106 -8.781 -8.781 125 3HD2 LEU 15 1HD2 LEU 15 7.973 -9.826 -9.826 126 H ASP 16 H ASP 16 8.549 -10.561 -10.561 127 HA ASP 16 HA ASP 16 7.420 -10.357 -10.357 128 1HB ASP 16 2HB ASP 16 9.626 -11.651 -11.651 129 2HB ASP 16 1HB ASP 16 8.433 -12.912 -12.912 130 H VAL 17 H VAL 17 5.237 -10.049 -10.049 131 HA VAL 17 HA VAL 17 4.050 -12.087 -12.087 132 HB VAL 17 HB VAL 17 3.207 -9.415 -9.415 133 1HG1 VAL 17 3HG1 VAL 17 1.637 -11.354 -11.354 134 2HG1 VAL 17 2HG1 VAL 17 1.215 -9.649 -9.649 135 3HG1 VAL 17 1HG1 VAL 17 1.182 -10.715 -10.715 136 1HG2 VAL 17 3HG2 VAL 17 4.502 -10.352 -10.352 137 2HG2 VAL 17 2HG2 VAL 17 4.335 -8.708 -8.708 138 3HG2 VAL 17 1HG2 VAL 17 3.045 -9.422 -9.422 139 H ALA 18 H ALA 18 1.708 -12.723 -12.723 140 HA ALA 18 HA ALA 18 1.732 -13.339 -13.339 141 1HB ALA 18 1HB ALA 18 2.326 -15.264 -15.264 142 2HB ALA 18 3HB ALA 18 0.837 -15.046 -15.046 143 3HB ALA 18 2HB ALA 18 0.763 -15.524 -15.524 144 H ASP 19 H ASP 19 -0.928 -14.792 -14.792 145 HA ASP 19 HA ASP 19 -2.625 -12.357 -12.357 146 1HB ASP 19 2HB ASP 19 -4.012 -13.699 -13.699 147 2HB ASP 19 1HB ASP 19 -2.399 -14.300 -14.300 148 H GLY 20 H GLY 20 -3.819 -11.857 -11.857 149 1HA GLY 20 2HA GLY 20 -5.564 -12.584 -12.584 150 2HA GLY 20 1HA GLY 20 -4.650 -14.076 -14.076 151 H VAL 21 H VAL 21 -2.209 -11.996 -11.996 152 HA VAL 21 HA VAL 21 -2.147 -11.713 -11.713 153 HB VAL 21 HB VAL 21 -0.088 -11.195 -11.195 154 1HG1 VAL 21 3HG1 VAL 21 -0.003 -11.112 -11.112 155 2HG1 VAL 21 2HG1 VAL 21 1.451 -11.485 -11.485 156 3HG1 VAL 21 1HG1 VAL 21 0.629 -9.942 -9.942 157 1HG2 VAL 21 1HG2 VAL 21 -0.958 -13.616 -13.616 158 2HG2 VAL 21 3HG2 VAL 21 -0.114 -13.478 -13.478 159 3HG2 VAL 21 2HG2 VAL 21 0.788 -13.354 -13.354 160 H SER 22 H SER 22 -1.163 -9.645 -9.645 161 HA SER 22 HA SER 22 -2.185 -7.262 -7.262 162 1HB SER 22 2HB SER 22 -1.987 -6.796 -6.796 163 2HB SER 22 1HB SER 22 -3.445 -6.856 -6.856 164 HG SER 22 HG SER 22 -3.694 -8.955 -8.955 165 H LEU 23 H LEU 23 -0.928 -5.205 -5.205 166 HA LEU 23 HA LEU 23 1.885 -5.609 -5.609 167 1HB LEU 23 2HB LEU 23 0.412 -3.267 -3.267 168 2HB LEU 23 1HB LEU 23 2.008 -3.212 -3.212 169 HG LEU 23 HG LEU 23 -0.653 -3.568 -3.568 170 1HD1 LEU 23 1HD1 LEU 23 0.931 -1.382 -1.382 171 2HD1 LEU 23 3HD1 LEU 23 1.533 -1.946 -1.946 172 3HD1 LEU 23 2HD1 LEU 23 -0.177 -1.555 -1.555 173 1HD2 LEU 23 1HD2 LEU 23 2.015 -4.638 -4.638 174 2HD2 LEU 23 3HD2 LEU 23 0.402 -5.238 -5.238 175 3HD2 LEU 23 2HD2 LEU 23 1.061 -3.853 -3.853 176 H MET 24 H MET 24 -0.137 -5.341 -5.341 177 HA MET 24 HA MET 24 2.018 -5.189 -5.189 178 1HB MET 24 2HB MET 24 -0.732 -5.083 -5.083 179 2HB MET 24 1HB MET 24 -0.382 -6.610 -6.610 180 1HG MET 24 2HG MET 24 1.386 -5.284 -5.284 181 2HG MET 24 1HG MET 24 0.542 -3.848 -3.848 182 1HE MET 24 1HE MET 24 -0.391 -7.416 -7.416 183 2HE MET 24 3HE MET 24 0.536 -6.900 -6.900 184 3HE MET 24 2HE MET 24 -1.185 -7.257 -7.257 185 H GLN 25 H GLN 25 -0.093 -7.891 -7.891 186 HA GLN 25 HA GLN 25 0.991 -9.981 -9.981 187 1HB GLN 25 2HB GLN 25 -0.925 -9.952 -9.952 188 2HB GLN 25 1HB GLN 25 0.149 -9.794 -9.794 189 1HG GLN 25 2HG GLN 25 0.942 -12.003 -12.003 190 2HG GLN 25 1HG GLN 25 0.403 -12.124 -12.124 191 1HE2 GLN 25 2HE2 GLN 25 -2.985 -11.912 -11.912 192 2HE2 GLN 25 1HE2 GLN 25 -2.004 -10.558 -10.558 193 H ALA 26 H ALA 26 2.054 -9.809 -9.809 194 HA ALA 26 HA ALA 26 4.284 -11.445 -11.445 195 1HB ALA 26 3HB ALA 26 3.790 -8.909 -8.909 196 2HB ALA 26 2HB ALA 26 5.329 -9.796 -9.796 197 3HB ALA 26 1HB ALA 26 3.783 -10.589 -10.589 198 H ALA 27 H ALA 27 4.398 -7.916 -7.916 199 HA ALA 27 HA ALA 27 7.075 -7.637 -7.637 200 1HB ALA 27 1HB ALA 27 4.462 -6.215 -6.215 201 2HB ALA 27 3HB ALA 27 5.835 -5.594 -5.594 202 3HB ALA 27 2HB ALA 27 5.915 -5.701 -5.701 203 H VAL 28 H VAL 28 4.127 -7.805 -7.805 204 HA VAL 28 HA VAL 28 4.872 -7.764 -7.764 205 HB VAL 28 HB VAL 28 2.911 -8.950 -8.950 206 1HG1 VAL 28 1HG1 VAL 28 3.812 -10.648 -10.648 207 2HG1 VAL 28 3HG1 VAL 28 2.087 -10.550 -10.550 208 3HG1 VAL 28 2HG1 VAL 28 3.201 -11.143 -11.143 209 1HG2 VAL 28 3HG2 VAL 28 2.709 -7.052 -7.052 210 2HG2 VAL 28 2HG2 VAL 28 1.376 -8.205 -8.205 211 3HG2 VAL 28 1HG2 VAL 28 2.547 -8.308 -8.308 212 H SER 29 H SER 29 4.844 -10.874 -10.874 213 HA SER 29 HA SER 29 6.325 -12.393 -12.393 214 1HB SER 29 2HB SER 29 5.650 -13.866 -13.866 215 2HB SER 29 1HB SER 29 5.235 -12.534 -12.534 216 HG SER 29 HG SER 29 7.552 -14.093 -14.093 217 H ASN 30 H ASN 30 7.333 -10.652 -10.652 218 HA ASN 30 HA ASN 30 10.136 -11.152 -11.152 219 1HB ASN 30 2HB ASN 30 8.218 -9.289 -9.289 220 2HB ASN 30 1HB ASN 30 9.861 -8.673 -8.673 221 1HD2 ASN 30 2HD2 ASN 30 9.017 -11.547 -11.547 222 2HD2 ASN 30 1HD2 ASN 30 7.812 -10.836 -10.836 223 H GLY 31 H GLY 31 8.035 -9.477 -9.477 224 1HA GLY 31 2HA GLY 31 8.688 -8.437 -8.437 225 2HA GLY 31 1HA GLY 31 10.352 -8.357 -8.357 226 H ILE 32 H ILE 32 8.970 -7.277 -7.277 227 HA ILE 32 HA ILE 32 9.600 -4.591 -4.591 228 HB ILE 32 HB ILE 32 7.369 -6.111 -6.111 229 1HG1 ILE 32 2HG1 ILE 32 10.137 -5.234 -5.234 230 2HG1 ILE 32 1HG1 ILE 32 9.488 -6.869 -6.869 231 1HG2 ILE 32 3HG2 ILE 32 8.315 -3.283 -3.283 232 2HG2 ILE 32 2HG2 ILE 32 7.227 -4.205 -4.205 233 3HG2 ILE 32 1HG2 ILE 32 6.713 -3.746 -3.746 234 1HD1 ILE 32 2HD1 ILE 32 7.750 -5.887 -5.887 235 2HD1 ILE 32 1HD1 ILE 32 9.053 -4.742 -4.742 236 3HD1 ILE 32 3HD1 ILE 32 9.328 -6.471 -6.471 237 H TYR 33 H TYR 33 6.624 -6.176 -6.176 238 HA TYR 33 HA TYR 33 5.825 -3.590 -3.590 239 1HB TYR 33 2HB TYR 33 4.264 -6.026 -6.026 240 2HB TYR 33 1HB TYR 33 3.571 -4.761 -4.761 241 HD1 TYR 33 1HD TYR 33 3.635 -2.337 -2.337 242 HD2 TYR 33 2HD TYR 33 4.404 -5.808 -5.808 243 HE1 TYR 33 1HE TYR 33 3.161 -1.020 -1.020 244 HE2 TYR 33 2HE TYR 33 3.928 -4.536 -4.536 245 HH TYR 33 HH TYR 33 4.081 -1.558 -1.558 246 H ASP 34 H ASP 34 7.460 -4.288 -4.288 247 HA ASP 34 HA ASP 34 7.198 -6.574 -6.574 248 1HB ASP 34 2HB ASP 34 7.920 -4.960 -4.960 249 2HB ASP 34 1HB ASP 34 8.924 -4.928 -4.928 250 H ILE 35 H ILE 35 5.021 -3.968 -3.968 251 HA ILE 35 HA ILE 35 3.350 -4.318 -4.318 252 HB ILE 35 HB ILE 35 3.600 -2.196 -2.196 253 1HG1 ILE 35 2HG1 ILE 35 0.876 -3.513 -3.513 254 2HG1 ILE 35 1HG1 ILE 35 1.542 -2.370 -2.370 255 1HG2 ILE 35 3HG2 ILE 35 3.597 -3.742 -3.742 256 2HG2 ILE 35 2HG2 ILE 35 1.923 -3.196 -3.196 257 3HG2 ILE 35 1HG2 ILE 35 3.233 -2.017 -2.017 258 1HD1 ILE 35 1HD1 ILE 35 0.964 -1.702 -1.702 259 2HD1 ILE 35 3HD1 ILE 35 -0.117 -1.327 -1.327 260 3HD1 ILE 35 2HD1 ILE 35 1.479 -0.579 -0.579 261 H VAL 36 H VAL 36 2.800 -6.628 -6.628 262 HA VAL 36 HA VAL 36 0.985 -7.338 -7.338 263 HB VAL 36 HB VAL 36 3.240 -8.505 -8.505 264 1HG1 VAL 36 1HG1 VAL 36 3.189 -8.626 -8.626 265 2HG1 VAL 36 3HG1 VAL 36 1.791 -9.699 -9.699 266 3HG1 VAL 36 2HG1 VAL 36 3.352 -10.232 -10.232 267 1HG2 VAL 36 2HG2 VAL 36 1.182 -9.432 -9.432 268 2HG2 VAL 36 1HG2 VAL 36 2.341 -10.636 -10.636 269 3HG2 VAL 36 3HG2 VAL 36 0.855 -10.350 -10.350 270 H GLY 37 H GLY 37 0.765 -6.323 -6.323 271 1HA GLY 37 2HA GLY 37 -1.297 -8.339 -8.339 272 2HA GLY 37 1HA GLY 37 -0.456 -7.283 -7.283 273 H ASP 38 H ASP 38 -1.497 -5.916 -5.916 274 HA ASP 38 HA ASP 38 -3.725 -4.527 -4.527 275 1HB ASP 38 2HB ASP 38 -2.047 -3.459 -3.459 276 2HB ASP 38 1HB ASP 38 -3.080 -2.544 -2.544 277 H CYS 39 H CYS 39 -2.604 -5.441 -5.441 278 HA CYS 39 HA CYS 39 -5.483 -5.619 -5.619 279 1HB CYS 39 2HB CYS 39 -4.310 -5.559 -5.559 280 2HB CYS 39 1HB CYS 39 -4.484 -4.068 -4.068 281 H GLY 40 H GLY 40 -2.325 -7.234 -7.234 282 1HA GLY 40 2HA GLY 40 -1.902 -9.455 -9.455 283 2HA GLY 40 1HA GLY 40 -3.080 -9.841 -9.841 284 H GLY 41 H GLY 41 -3.572 -8.091 -8.091 285 1HA GLY 41 2HA GLY 41 -4.805 -8.737 -8.737 286 2HA GLY 41 1HA GLY 41 -4.998 -10.343 -10.343 287 H SER 42 H SER 42 -5.815 -7.397 -7.397 288 HA SER 42 HA SER 42 -8.702 -8.162 -8.162 289 1HB SER 42 2HB SER 42 -8.932 -7.778 -7.778 290 2HB SER 42 1HB SER 42 -7.327 -8.496 -8.496 291 HG SER 42 HG SER 42 -8.039 -6.077 -6.077 292 H ALA 43 H ALA 43 -6.359 -5.524 -5.524 293 HA ALA 43 HA ALA 43 -6.552 -3.328 -3.328 294 1HB ALA 43 3HB ALA 43 -8.455 -4.898 -4.898 295 2HB ALA 43 2HB ALA 43 -9.331 -3.461 -3.461 296 3HB ALA 43 1HB ALA 43 -7.892 -3.297 -3.297 297 H SER 44 H SER 44 -6.747 -3.303 -3.303 298 HA SER 44 HA SER 44 -9.121 -1.568 -1.568 299 1HB SER 44 2HB SER 44 -9.232 -3.952 -3.952 300 2HB SER 44 1HB SER 44 -7.853 -3.553 -3.553 301 HG SER 44 HG SER 44 -9.819 -3.203 -3.203 302 H CYS 45 H CYS 45 -5.877 -1.453 -1.453 303 HA CYS 45 HA CYS 45 -5.414 0.236 0.236 304 1HB CYS 45 2HB CYS 45 -2.954 -0.404 -0.404 305 2HB CYS 45 1HB CYS 45 -3.527 -0.922 -0.922 306 H ALA 46 H ALA 46 -3.964 2.068 2.068 307 HA ALA 46 HA ALA 46 -4.330 3.497 3.497 308 1HB ALA 46 2HB ALA 46 -5.333 4.252 4.252 309 2HB ALA 46 1HB ALA 46 -3.680 4.724 4.724 310 3HB ALA 46 3HB ALA 46 -4.501 5.462 5.462 311 H THR 47 H THR 47 -1.984 2.334 2.334 312 HA THR 47 HA THR 47 0.212 4.041 4.041 313 HB THR 47 HB THR 47 0.261 2.897 2.897 314 HG1 THR 47 1HG THR 47 1.994 1.528 1.528 315 1HG2 THR 47 1HG2 THR 47 -0.400 0.491 0.491 316 2HG2 THR 47 3HG2 THR 47 0.381 0.289 0.289 317 3HG2 THR 47 2HG2 THR 47 -1.191 1.078 1.078 318 H CYS 48 H CYS 48 -1.319 1.393 1.393 319 HA CYS 48 HA CYS 48 1.104 0.806 0.806 320 1HB CYS 48 2HB CYS 48 -1.411 -0.526 -0.526 321 2HB CYS 48 1HB CYS 48 0.145 -1.205 -1.205 322 H HIS 49 H HIS 49 -0.847 3.292 3.292 323 HA HIS 49 HA HIS 49 -2.249 3.545 3.545 324 1HB HIS 49 2HB HIS 49 -1.846 5.223 5.223 325 2HB HIS 49 1HB HIS 49 -0.316 5.602 5.602 326 HD1 HIS 49 1HD HIS 49 -2.866 7.550 7.550 327 HD2 HIS 49 2HD HIS 49 -1.719 5.513 5.513 328 HE1 HIS 49 1HE HIS 49 -3.819 8.842 8.842 329 H VAL 50 H VAL 50 -1.575 3.689 3.689 330 HA VAL 50 HA VAL 50 1.338 3.954 3.954 331 HB VAL 50 HB VAL 50 1.095 1.986 1.986 332 1HG1 VAL 50 1HG1 VAL 50 1.619 2.081 2.081 333 2HG1 VAL 50 3HG1 VAL 50 0.456 0.766 0.766 334 3HG1 VAL 50 2HG1 VAL 50 1.960 0.725 0.725 335 1HG2 VAL 50 2HG2 VAL 50 -1.450 2.214 2.214 336 2HG2 VAL 50 1HG2 VAL 50 -0.811 0.574 0.574 337 3HG2 VAL 50 3HG2 VAL 50 -1.397 1.409 1.409 338 H TYR 51 H TYR 51 1.755 4.505 4.505 339 HA TYR 51 HA TYR 51 -0.600 5.618 5.618 340 1HB TYR 51 2HB TYR 51 2.169 6.595 6.595 341 2HB TYR 51 1HB TYR 51 1.325 7.225 7.225 342 HD1 TYR 51 2HD TYR 51 -1.326 6.479 6.479 343 HD2 TYR 51 1HD TYR 51 2.001 9.225 9.225 344 HE1 TYR 51 2HE TYR 51 -2.603 8.110 8.110 345 HE2 TYR 51 1HE TYR 51 0.693 10.857 10.857 346 HH TYR 51 HH TYR 51 -1.419 10.460 10.460 347 H VAL 52 H VAL 52 -0.900 4.575 4.575 348 HA VAL 52 HA VAL 52 1.337 2.973 2.973 349 HB VAL 52 HB VAL 52 -1.612 3.094 3.094 350 1HG1 VAL 52 1HG1 VAL 52 0.343 2.035 2.035 351 2HG1 VAL 52 3HG1 VAL 52 0.059 0.667 0.667 352 3HG1 VAL 52 2HG1 VAL 52 -1.266 1.318 1.318 353 1HG2 VAL 52 2HG2 VAL 52 -0.249 2.029 2.029 354 2HG2 VAL 52 1HG2 VAL 52 -1.968 1.960 1.960 355 3HG2 VAL 52 3HG2 VAL 52 -0.886 0.691 0.691 356 H ASN 53 H ASN 53 1.950 3.288 3.288 357 HA ASN 53 HA ASN 53 1.624 6.036 6.036 358 1HB ASN 53 2HB ASN 53 2.886 5.139 5.139 359 2HB ASN 53 1HB ASN 53 3.689 4.832 4.832 360 1HD2 ASN 53 2HD2 ASN 53 1.905 1.374 1.374 361 2HD2 ASN 53 1HD2 ASN 53 1.086 2.695 2.695 362 H GLU 54 H GLU 54 -0.062 6.773 6.773 363 HA GLU 54 HA GLU 54 -2.469 5.690 5.690 364 1HB GLU 54 2HB GLU 54 -2.660 7.316 7.316 365 2HB GLU 54 1HB GLU 54 -1.566 7.982 7.982 366 1HG GLU 54 2HG GLU 54 -0.605 6.455 6.455 367 2HG GLU 54 1HG GLU 54 -0.768 8.211 8.211 368 H ALA 55 H ALA 55 0.446 4.866 4.866 369 HA ALA 55 HA ALA 55 -0.814 3.634 3.634 370 1HB ALA 55 3HB ALA 55 1.692 4.249 4.249 371 2HB ALA 55 2HB ALA 55 1.720 2.538 2.538 372 3HB ALA 55 1HB ALA 55 1.357 3.031 3.031 373 H PHE 56 H PHE 56 -0.612 2.567 2.567 374 HA PHE 56 HA PHE 56 -1.581 -0.145 -0.145 375 1HB PHE 56 2HB PHE 56 0.262 0.739 0.739 376 2HB PHE 56 1HB PHE 56 -0.406 -0.888 -0.888 377 HD1 PHE 56 1HD PHE 56 1.621 1.618 1.618 378 HD2 PHE 56 2HD PHE 56 0.532 -2.557 -2.557 379 HE1 PHE 56 1HE PHE 56 3.319 1.061 1.061 380 HE2 PHE 56 2HE PHE 56 2.224 -3.066 -3.066 381 HZ PHE 56 HZ PHE 56 3.620 -1.281 -1.281 382 H THR 57 H THR 57 -2.285 2.712 2.712 383 HA THR 57 HA THR 57 -4.025 1.552 1.552 384 HB THR 57 HB THR 57 -4.267 3.778 3.778 385 HG1 THR 57 1HG THR 57 -5.146 4.965 4.965 386 1HG2 THR 57 3HG2 THR 57 -1.792 3.106 3.106 387 2HG2 THR 57 2HG2 THR 57 -1.861 4.213 4.213 388 3HG2 THR 57 1HG2 THR 57 -2.149 4.812 4.812 389 H ASP 58 H ASP 58 -4.328 2.945 2.945 390 HA ASP 58 HA ASP 58 -7.236 3.019 3.019 391 1HB ASP 58 2HB ASP 58 -6.872 3.764 3.764 392 2HB ASP 58 1HB ASP 58 -5.478 4.358 4.358 393 H LYS 59 H LYS 59 -4.861 0.569 0.569 394 HA LYS 59 HA LYS 59 -6.388 -1.216 -1.216 395 1HB LYS 59 2HB LYS 59 -4.239 -1.970 -1.970 396 2HB LYS 59 1HB LYS 59 -4.543 -2.659 -2.659 397 1HG LYS 59 2HG LYS 59 -3.980 -0.286 -0.286 398 2HG LYS 59 1HG LYS 59 -3.246 -0.024 -0.024 399 1HD LYS 59 2HD LYS 59 -1.398 -0.958 -0.958 400 2HD LYS 59 1HD LYS 59 -2.233 -2.482 -2.482 401 1HE LYS 59 2HE LYS 59 -2.501 -2.852 -2.852 402 2HE LYS 59 1HE LYS 59 -3.155 -1.221 -1.221 403 1HZ LYS 59 3HZ LYS 59 -0.803 -0.419 -0.419 404 2HZ LYS 59 2HZ LYS 59 -0.309 -2.037 -2.037 405 3HZ LYS 59 1HZ LYS 59 -1.098 -1.262 -1.262 406 H VAL 60 H VAL 60 -5.285 -1.285 -1.285 407 HA VAL 60 HA VAL 60 -6.938 -3.472 -3.472 408 HB VAL 60 HB VAL 60 -4.550 -2.330 -2.330 409 1HG1 VAL 60 3HG1 VAL 60 -5.628 -0.356 -0.356 410 2HG1 VAL 60 2HG1 VAL 60 -6.245 -1.382 -1.382 411 3HG1 VAL 60 1HG1 VAL 60 -4.505 -1.171 -1.171 412 1HG2 VAL 60 3HG2 VAL 60 -6.200 -3.935 -3.935 413 2HG2 VAL 60 2HG2 VAL 60 -5.146 -4.537 -4.537 414 3HG2 VAL 60 1HG2 VAL 60 -4.455 -3.703 -3.703 415 HA PRO 61 HA PRO 61 -10.528 -1.178 -1.178 416 1HB PRO 61 2HB PRO 61 -11.373 -2.687 -2.687 417 2HB PRO 61 1HB PRO 61 -11.598 -3.149 -3.149 418 1HG PRO 61 2HG PRO 61 -9.486 -4.015 -4.015 419 2HG PRO 61 1HG PRO 61 -10.411 -4.989 -4.989 420 1HD PRO 61 2HD PRO 61 -7.898 -4.231 -4.231 421 2HD PRO 61 1HD PRO 61 -9.130 -4.294 -4.294 422 H ALA 62 H ALA 62 -11.399 0.083 0.083 423 HA ALA 62 HA ALA 62 -9.372 1.418 1.418 424 1HB ALA 62 3HB ALA 62 -11.763 1.967 1.967 425 2HB ALA 62 2HB ALA 62 -12.165 2.144 2.144 426 3HB ALA 62 1HB ALA 62 -10.855 3.095 3.095 427 H ALA 63 H ALA 63 -10.529 2.179 2.179 428 HA ALA 63 HA ALA 63 -10.784 -0.316 -0.316 429 1HB ALA 63 2HB ALA 63 -9.334 2.052 2.052 430 2HB ALA 63 1HB ALA 63 -10.619 2.254 2.254 431 3HB ALA 63 3HB ALA 63 -9.538 0.864 0.864 432 H ASN 64 H ASN 64 -12.461 -0.380 -0.380 433 HA ASN 64 HA ASN 64 -14.948 1.010 1.010 434 1HB ASN 64 2HB ASN 64 -15.971 -0.761 -0.761 435 2HB ASN 64 1HB ASN 64 -15.066 -1.392 -1.392 436 1HD2 ASN 64 1HD2 ASN 64 -15.137 -3.296 -3.296 437 2HD2 ASN 64 2HD2 ASN 64 -13.766 -3.363 -3.363 438 H GLU 65 H GLU 65 -16.470 1.139 1.139 439 HA GLU 65 HA GLU 65 -15.786 3.426 3.426 440 1HB GLU 65 2HB GLU 65 -17.614 2.803 2.803 441 2HB GLU 65 1HB GLU 65 -17.961 2.062 2.062 442 1HG GLU 65 2HG GLU 65 -17.082 -0.080 -0.080 443 2HG GLU 65 1HG GLU 65 -16.608 0.643 0.643 444 H ARG 66 H ARG 66 -14.632 0.153 0.153 445 HA ARG 66 HA ARG 66 -13.730 0.407 0.407 446 1HB ARG 66 2HB ARG 66 -13.635 -1.449 -1.449 447 2HB ARG 66 1HB ARG 66 -11.982 -1.217 -1.217 448 1HG ARG 66 2HG ARG 66 -12.621 -1.755 -1.755 449 2HG ARG 66 1HG ARG 66 -14.327 -1.839 -1.839 450 1HD ARG 66 2HD ARG 66 -12.141 -3.650 -3.650 451 2HD ARG 66 1HD ARG 66 -13.344 -4.113 -4.113 452 HE ARG 66 HE ARG 66 -14.692 -2.975 -2.975 453 1HH1 ARG 66 1HH2 ARG 66 -12.670 -4.826 -4.826 454 2HH1 ARG 66 2HH2 ARG 66 -13.568 -6.305 -6.305 455 1HH2 ARG 66 1HH1 ARG 66 -15.976 -5.289 -5.289 456 2HH2 ARG 66 2HH1 ARG 66 -15.440 -6.566 -6.566 457 H GLU 67 H GLU 67 -11.838 0.586 0.586 458 HA GLU 67 HA GLU 67 -9.490 1.671 1.671 459 1HB GLU 67 2HB GLU 67 -9.324 0.509 0.509 460 2HB GLU 67 1HB GLU 67 -10.588 1.491 1.491 461 1HG GLU 67 2HG GLU 67 -9.164 3.236 3.236 462 2HG GLU 67 1HG GLU 67 -8.224 2.957 2.957 463 H ILE 68 H ILE 68 -12.310 3.286 3.286 464 HA ILE 68 HA ILE 68 -11.311 5.815 5.815 465 HB ILE 68 HB ILE 68 -13.873 4.636 4.636 466 1HG1 ILE 68 2HG1 ILE 68 -14.725 5.627 5.627 467 2HG1 ILE 68 1HG1 ILE 68 -13.346 6.718 6.718 468 1HG2 ILE 68 3HG2 ILE 68 -13.574 6.659 6.659 469 2HG2 ILE 68 2HG2 ILE 68 -13.488 7.642 7.642 470 3HG2 ILE 68 1HG2 ILE 68 -14.965 6.756 6.756 471 1HD1 ILE 68 2HD1 ILE 68 -12.738 3.806 3.806 472 2HD1 ILE 68 1HD1 ILE 68 -13.493 4.421 4.421 473 3HD1 ILE 68 3HD1 ILE 68 -11.960 5.095 5.095 474 H GLY 69 H GLY 69 -11.979 4.353 4.353 475 1HA GLY 69 2HA GLY 69 -11.105 6.838 6.838 476 2HA GLY 69 1HA GLY 69 -11.713 5.398 5.398 477 H MET 70 H MET 70 -10.124 3.383 3.383 478 HA MET 70 HA MET 70 -7.725 3.583 3.583 479 1HB MET 70 2HB MET 70 -6.962 1.781 1.781 480 2HB MET 70 1HB MET 70 -8.389 1.409 1.409 481 1HG MET 70 2HG MET 70 -9.522 2.689 2.689 482 2HG MET 70 1HG MET 70 -8.091 2.003 2.003 483 1HE MET 70 3HE MET 70 -7.697 0.284 0.284 484 2HE MET 70 2HE MET 70 -7.507 -0.890 -0.890 485 3HE MET 70 1HE MET 70 -8.583 -1.265 -1.265 486 H LEU 71 H LEU 71 -8.293 4.097 4.097 487 HA LEU 71 HA LEU 71 -5.602 4.790 4.790 488 1HB LEU 71 2HB LEU 71 -7.597 3.797 3.797 489 2HB LEU 71 1HB LEU 71 -8.289 5.425 5.425 490 HG LEU 71 HG LEU 71 -6.095 4.312 4.312 491 1HD1 LEU 71 2HD1 LEU 71 -8.607 5.641 5.641 492 2HD1 LEU 71 1HD1 LEU 71 -7.376 6.688 6.688 493 3HD1 LEU 71 3HD1 LEU 71 -7.560 5.031 5.031 494 1HD2 LEU 71 1HD2 LEU 71 -4.937 6.045 6.045 495 2HD2 LEU 71 3HD2 LEU 71 -4.940 6.429 6.429 496 3HD2 LEU 71 2HD2 LEU 71 -6.069 7.240 7.240 497 H GLU 72 H GLU 72 -8.427 6.587 6.587 498 HA GLU 72 HA GLU 72 -7.163 9.216 9.216 499 1HB GLU 72 2HB GLU 72 -9.484 9.143 9.143 500 2HB GLU 72 1HB GLU 72 -9.808 8.180 8.180 501 1HG GLU 72 2HG GLU 72 -9.887 9.994 9.994 502 2HG GLU 72 1HG GLU 72 -8.567 10.815 10.815 503 H CYS 73 H CYS 73 -7.229 6.873 6.873 504 HA CYS 73 HA CYS 73 -7.378 8.334 8.334 505 1HB CYS 73 2HB CYS 73 -6.330 5.843 5.843 506 2HB CYS 73 1HB CYS 73 -5.139 6.555 6.555 507 HG CYS 73 HG CYS 73 -7.066 5.140 5.140 508 H VAL 74 H VAL 74 -4.449 7.851 7.851 509 HA VAL 74 HA VAL 74 -3.064 9.994 9.994 510 HB VAL 74 HB VAL 74 -1.137 9.245 9.245 511 1HG1 VAL 74 1HG1 VAL 74 -2.808 7.471 7.471 512 2HG1 VAL 74 3HG1 VAL 74 -1.877 6.563 6.563 513 3HG1 VAL 74 2HG1 VAL 74 -1.049 7.604 7.604 514 1HG2 VAL 74 1HG2 VAL 74 -3.291 8.193 8.193 515 2HG2 VAL 74 3HG2 VAL 74 -1.655 8.692 8.692 516 3HG2 VAL 74 2HG2 VAL 74 -1.941 7.082 7.082 517 H THR 75 H THR 75 -4.151 11.904 11.904 518 HA THR 75 HA THR 75 -5.166 12.627 12.627 519 HB THR 75 HB THR 75 -5.240 13.928 13.928 520 HG1 THR 75 1HG THR 75 -5.180 15.882 15.882 521 1HG2 THR 75 3HG2 THR 75 -2.439 13.624 13.624 522 2HG2 THR 75 2HG2 THR 75 -2.749 15.349 15.349 523 3HG2 THR 75 1HG2 THR 75 -3.350 14.508 14.508 524 H ALA 76 H ALA 76 -3.959 11.913 11.913 525 HA ALA 76 HA ALA 76 -1.306 13.253 13.253 526 1HB ALA 76 1HB ALA 76 -1.537 10.663 10.663 527 2HB ALA 76 3HB ALA 76 -2.083 10.614 10.614 528 3HB ALA 76 2HB ALA 76 -0.473 11.217 11.217 529 H GLU 77 H GLU 77 -3.717 14.468 14.468 530 HA GLU 77 HA GLU 77 -4.974 15.119 15.119 531 1HB GLU 77 2HB GLU 77 -3.408 15.912 15.912 532 2HB GLU 77 1HB GLU 77 -2.810 16.313 16.313 533 1HG GLU 77 2HG GLU 77 -1.236 14.507 14.507 534 2HG GLU 77 1HG GLU 77 -1.968 13.815 13.815 535 H LEU 78 H LEU 78 -5.559 12.639 12.639 536 HA LEU 78 HA LEU 78 -4.977 10.479 10.479 537 1HB LEU 78 2HB LEU 78 -7.002 10.878 10.878 538 2HB LEU 78 1HB LEU 78 -7.644 11.895 11.895 539 HG LEU 78 HG LEU 78 -7.853 10.053 10.053 540 1HD1 LEU 78 3HD1 LEU 78 -5.634 9.041 9.041 541 2HD1 LEU 78 2HD1 LEU 78 -6.308 8.390 8.390 542 3HD1 LEU 78 1HD1 LEU 78 -6.918 7.839 7.839 543 1HD2 LEU 78 1HD2 LEU 78 -9.505 10.130 10.130 544 2HD2 LEU 78 3HD2 LEU 78 -9.284 8.518 8.518 545 3HD2 LEU 78 2HD2 LEU 78 -8.511 8.945 8.945 546 H LYS 79 H LYS 79 -4.587 9.939 9.939 547 HA LYS 79 HA LYS 79 -5.108 11.971 11.971 548 1HB LYS 79 2HB LYS 79 -3.595 9.369 9.369 549 2HB LYS 79 1HB LYS 79 -3.355 10.865 10.865 550 1HG LYS 79 2HG LYS 79 -2.685 11.944 11.944 551 2HG LYS 79 1HG LYS 79 -2.631 10.321 10.321 552 1HD LYS 79 2HD LYS 79 -0.580 10.041 10.041 553 2HD LYS 79 1HD LYS 79 -1.243 10.250 10.250 554 1HE LYS 79 2HE LYS 79 -1.196 12.793 12.793 555 2HE LYS 79 1HE LYS 79 -0.004 12.297 12.297 556 1HZ LYS 79 1HZ LYS 79 0.992 10.933 10.933 557 2HZ LYS 79 3HZ LYS 79 0.111 11.965 11.965 558 3HZ LYS 79 2HZ LYS 79 1.290 12.605 12.605 559 HA PRO 80 HA PRO 80 -8.274 9.569 9.569 560 1HB PRO 80 2HB PRO 80 -7.505 9.386 9.386 561 2HB PRO 80 1HB PRO 80 -8.164 10.872 10.872 562 1HG PRO 80 2HG PRO 80 -5.328 10.112 10.112 563 2HG PRO 80 1HG PRO 80 -6.138 11.671 11.671 564 1HD PRO 80 2HD PRO 80 -4.549 11.179 11.179 565 2HD PRO 80 1HD PRO 80 -5.966 12.245 12.245 566 H ASN 81 H ASN 81 -4.960 8.555 8.555 567 HA ASN 81 HA ASN 81 -5.855 5.746 5.746 568 1HB ASN 81 2HB ASN 81 -3.447 5.502 5.502 569 2HB ASN 81 1HB ASN 81 -4.352 6.663 6.663 570 1HD2 ASN 81 2HD2 ASN 81 -1.125 8.263 8.263 571 2HD2 ASN 81 1HD2 ASN 81 -1.538 6.885 6.885 572 H SER 82 H SER 82 -4.793 7.720 7.720 573 HA SER 82 HA SER 82 -2.892 6.263 6.263 574 1HB SER 82 2HB SER 82 -5.454 7.602 7.602 575 2HB SER 82 1HB SER 82 -4.126 7.172 7.172 576 HG SER 82 HG SER 82 -2.951 8.440 8.440 577 H ARG 83 H ARG 83 -3.233 4.735 4.735 578 HA ARG 83 HA ARG 83 -5.675 3.234 3.234 579 1HB ARG 83 2HB ARG 83 -3.832 2.589 2.589 580 2HB ARG 83 1HB ARG 83 -4.076 1.213 1.213 581 1HG ARG 83 2HG ARG 83 -6.290 1.021 1.021 582 2HG ARG 83 1HG ARG 83 -6.487 2.750 2.750 583 1HD ARG 83 2HD ARG 83 -5.014 2.374 2.374 584 2HD ARG 83 1HD ARG 83 -5.416 0.657 0.657 585 HE ARG 83 HE ARG 83 -7.839 1.698 1.698 586 1HH1 ARG 83 1HH2 ARG 83 -8.410 3.904 3.904 587 2HH1 ARG 83 2HH2 ARG 83 -8.135 3.825 3.825 588 1HH2 ARG 83 1HH1 ARG 83 -6.159 0.981 0.981 589 2HH2 ARG 83 2HH1 ARG 83 -6.861 2.170 2.170 590 H LEU 84 H LEU 84 -5.155 1.079 1.079 591 HA LEU 84 HA LEU 84 -3.061 1.633 1.633 592 1HB LEU 84 2HB LEU 84 -5.707 0.543 0.543 593 2HB LEU 84 1HB LEU 84 -4.616 -0.753 -0.753 594 HG LEU 84 HG LEU 84 -5.026 1.898 1.898 595 1HD1 LEU 84 2HD1 LEU 84 -5.975 -0.785 -0.785 596 2HD1 LEU 84 1HD1 LEU 84 -4.920 -0.430 -0.430 597 3HD1 LEU 84 3HD1 LEU 84 -6.322 0.610 0.610 598 1HD2 LEU 84 1HD2 LEU 84 -2.549 0.705 0.705 599 2HD2 LEU 84 3HD2 LEU 84 -3.018 1.710 1.710 600 3HD2 LEU 84 2HD2 LEU 84 -3.150 -0.050 -0.050 601 H SER 85 H SER 85 -1.280 0.198 0.198 602 HA SER 85 HA SER 85 -0.212 -1.331 -1.331 603 1HB SER 85 2HB SER 85 -0.167 -2.102 -2.102 604 2HB SER 85 1HB SER 85 1.057 -2.454 -2.454 605 HG SER 85 HG SER 85 1.657 -0.367 -0.367 606 H CYS 86 H CYS 86 -2.734 -2.034 -2.034 607 HA CYS 86 HA CYS 86 -3.083 -4.853 -4.853 608 1HB CYS 86 2HB CYS 86 -4.886 -4.620 -4.620 609 2HB CYS 86 1HB CYS 86 -3.175 -4.742 -4.742 610 H GLN 87 H GLN 87 -3.932 -2.786 -2.786 611 HA GLN 87 HA GLN 87 -6.865 -3.346 -3.346 612 1HB GLN 87 2HB GLN 87 -6.258 -0.995 -0.995 613 2HB GLN 87 1HB GLN 87 -5.542 -0.874 -0.874 614 1HG GLN 87 2HG GLN 87 -7.728 -0.079 -0.079 615 2HG GLN 87 1HG GLN 87 -7.842 -1.768 -1.768 616 1HE2 GLN 87 2HE2 GLN 87 -9.138 -2.018 -2.018 617 2HE2 GLN 87 1HE2 GLN 87 -7.519 -2.127 -2.127 618 H ILE 88 H ILE 88 -4.229 -2.601 -2.601 619 HA ILE 88 HA ILE 88 -5.877 -3.451 -3.451 620 HB ILE 88 HB ILE 88 -2.950 -3.060 -3.060 621 1HG1 ILE 88 2HG1 ILE 88 -4.857 -0.889 -0.889 622 2HG1 ILE 88 1HG1 ILE 88 -3.295 -1.318 -1.318 623 1HG2 ILE 88 2HG2 ILE 88 -5.038 -3.255 -3.255 624 2HG2 ILE 88 1HG2 ILE 88 -4.973 -1.504 -1.504 625 3HG2 ILE 88 3HG2 ILE 88 -3.557 -2.379 -2.379 626 1HD1 ILE 88 3HD1 ILE 88 -3.648 -0.223 -0.223 627 2HD1 ILE 88 2HD1 ILE 88 -3.218 0.762 0.762 628 3HD1 ILE 88 1HD1 ILE 88 -2.124 -0.503 -0.503 629 H ILE 89 H ILE 89 -5.445 -5.189 -5.189 630 HA ILE 89 HA ILE 89 -3.871 -7.421 -7.421 631 HB ILE 89 HB ILE 89 -6.346 -7.231 -7.231 632 1HG1 ILE 89 2HG1 ILE 89 -6.851 -7.139 -7.139 633 2HG1 ILE 89 1HG1 ILE 89 -7.178 -8.800 -8.800 634 1HG2 ILE 89 3HG2 ILE 89 -4.792 -8.954 -8.954 635 2HG2 ILE 89 2HG2 ILE 89 -4.792 -9.745 -9.745 636 3HG2 ILE 89 1HG2 ILE 89 -6.282 -9.647 -9.647 637 1HD1 ILE 89 3HD1 ILE 89 -4.783 -9.333 -9.333 638 2HD1 ILE 89 2HD1 ILE 89 -4.773 -7.743 -7.743 639 3HD1 ILE 89 1HD1 ILE 89 -5.927 -8.969 -8.969 640 H MET 90 H MET 90 -2.737 -8.796 -8.796 641 HA MET 90 HA MET 90 -1.863 -7.095 -7.095 642 1HB MET 90 2HB MET 90 -0.430 -8.170 -8.170 643 2HB MET 90 1HB MET 90 -0.302 -9.467 -9.467 644 1HG MET 90 2HG MET 90 1.543 -7.841 -7.841 645 2HG MET 90 1HG MET 90 0.508 -7.864 -7.864 646 1HE MET 90 3HE MET 90 0.598 -6.247 -6.247 647 2HE MET 90 2HE MET 90 -0.854 -5.283 -5.283 648 3HE MET 90 1HE MET 90 0.732 -4.523 -4.523 649 H THR 91 H THR 91 -2.916 -7.716 -7.716 650 HA THR 91 HA THR 91 -3.691 -10.550 -10.550 651 HB THR 91 HB THR 91 -4.471 -9.223 -9.223 652 HG1 THR 91 1HG THR 91 -3.379 -7.328 -7.328 653 1HG2 THR 91 1HG2 THR 91 -5.779 -9.062 -9.062 654 2HG2 THR 91 3HG2 THR 91 -6.599 -8.771 -8.771 655 3HG2 THR 91 2HG2 THR 91 -5.963 -10.374 -10.374 656 HA PRO 92 HA PRO 92 -0.256 -11.509 -11.509 657 1HB PRO 92 2HB PRO 92 -1.405 -13.185 -13.185 658 2HB PRO 92 1HB PRO 92 -1.071 -13.657 -13.657 659 1HG PRO 92 2HG PRO 92 -3.633 -12.787 -12.787 660 2HG PRO 92 1HG PRO 92 -3.333 -14.052 -14.052 661 1HD PRO 92 2HD PRO 92 -4.322 -11.605 -11.605 662 2HD PRO 92 1HD PRO 92 -3.325 -12.573 -12.573 663 H GLU 93 H GLU 93 -2.762 -9.570 -9.570 664 HA GLU 93 HA GLU 93 -1.517 -9.216 -9.216 665 1HB GLU 93 2HB GLU 93 -3.753 -8.012 -8.012 666 2HB GLU 93 1HB GLU 93 -3.841 -9.756 -9.756 667 1HG GLU 93 2HG GLU 93 -3.958 -8.174 -8.174 668 2HG GLU 93 1HG GLU 93 -5.321 -7.915 -7.915 669 H LEU 94 H LEU 94 -2.315 -7.629 -7.629 670 HA LEU 94 HA LEU 94 -1.454 -4.970 -4.970 671 1HB LEU 94 2HB LEU 94 -2.399 -5.748 -5.748 672 2HB LEU 94 1HB LEU 94 -2.466 -4.165 -4.165 673 HG LEU 94 HG LEU 94 -4.111 -6.616 -6.616 674 1HD1 LEU 94 1HD1 LEU 94 -4.576 -3.817 -3.817 675 2HD1 LEU 94 3HD1 LEU 94 -5.851 -4.630 -4.630 676 3HD1 LEU 94 2HD1 LEU 94 -5.258 -5.327 -5.327 677 1HD2 LEU 94 2HD2 LEU 94 -3.107 -5.574 -5.574 678 2HD2 LEU 94 1HD2 LEU 94 -4.872 -5.579 -5.579 679 3HD2 LEU 94 3HD2 LEU 94 -3.981 -4.099 -4.099 680 H ASP 95 H ASP 95 0.677 -6.486 -6.486 681 HA ASP 95 HA ASP 95 2.090 -6.345 -6.345 682 1HB ASP 95 2HB ASP 95 2.763 -8.372 -8.372 683 2HB ASP 95 1HB ASP 95 1.949 -8.130 -8.130 684 H GLY 96 H GLY 96 4.135 -5.400 -5.400 685 1HA GLY 96 2HA GLY 96 6.044 -4.108 -4.108 686 2HA GLY 96 1HA GLY 96 5.042 -3.588 -3.588 687 H ILE 97 H ILE 97 3.543 -3.723 -3.723 688 HA ILE 97 HA ILE 97 2.884 -0.924 -0.924 689 HB ILE 97 HB ILE 97 1.359 -2.664 -2.664 690 1HG1 ILE 97 2HG1 ILE 97 1.506 -0.211 -0.211 691 2HG1 ILE 97 1HG1 ILE 97 0.396 -1.387 -1.387 692 1HG2 ILE 97 2HG2 ILE 97 3.590 -3.126 -3.126 693 2HG2 ILE 97 1HG2 ILE 97 1.934 -3.504 -3.504 694 3HG2 ILE 97 3HG2 ILE 97 2.655 -4.300 -4.300 695 1HD1 ILE 97 3HD1 ILE 97 3.118 -1.465 -1.465 696 2HD1 ILE 97 2HD1 ILE 97 2.251 0.043 0.043 697 3HD1 ILE 97 1HD1 ILE 97 1.555 -1.490 -1.490 698 H VAL 98 H VAL 98 3.508 0.752 0.752 699 HA VAL 98 HA VAL 98 5.906 0.380 0.380 700 HB VAL 98 HB VAL 98 4.767 2.875 2.875 701 1HG1 VAL 98 1HG1 VAL 98 7.470 2.206 2.206 702 2HG1 VAL 98 3HG1 VAL 98 7.100 3.704 3.704 703 3HG1 VAL 98 2HG1 VAL 98 6.275 3.323 3.323 704 1HG2 VAL 98 1HG2 VAL 98 5.775 0.714 0.714 705 2HG2 VAL 98 3HG2 VAL 98 5.842 2.380 2.380 706 3HG2 VAL 98 2HG2 VAL 98 7.227 1.679 1.679 707 H VAL 99 H VAL 99 5.537 0.726 0.726 708 HA VAL 99 HA VAL 99 2.908 1.935 1.935 709 HB VAL 99 HB VAL 99 4.861 0.721 0.721 710 1HG1 VAL 99 1HG1 VAL 99 1.948 1.200 1.200 711 2HG1 VAL 99 3HG1 VAL 99 2.430 -0.299 -0.299 712 3HG1 VAL 99 2HG1 VAL 99 3.022 1.255 1.255 713 1HG2 VAL 99 3HG2 VAL 99 3.760 -0.645 -0.645 714 2HG2 VAL 99 2HG2 VAL 99 4.969 -1.176 -1.176 715 3HG2 VAL 99 1HG2 VAL 99 3.258 -1.384 -1.384 716 H ASP 100 H ASP 100 3.311 2.949 2.949 717 HA ASP 100 HA ASP 100 5.837 4.330 4.330 718 1HB ASP 100 2HB ASP 100 3.348 5.814 5.814 719 2HB ASP 100 1HB ASP 100 4.732 6.620 6.620 720 H VAL 101 H VAL 101 6.110 4.944 4.944 721 HA VAL 101 HA VAL 101 3.781 4.441 4.441 722 HB VAL 101 HB VAL 101 6.774 4.662 4.662 723 1HG1 VAL 101 1HG1 VAL 101 5.355 5.751 5.751 724 2HG1 VAL 101 3HG1 VAL 101 4.804 4.113 4.113 725 3HG1 VAL 101 2HG1 VAL 101 6.516 4.514 4.514 726 1HG2 VAL 101 3HG2 VAL 101 5.533 2.533 2.533 727 2HG2 VAL 101 2HG2 VAL 101 6.655 2.349 2.349 728 3HG2 VAL 101 1HG2 VAL 101 4.917 2.412 2.412 729 HA PRO 102 HA PRO 102 3.351 8.915 8.915 730 1HB PRO 102 2HB PRO 102 0.992 8.944 8.944 731 2HB PRO 102 1HB PRO 102 1.098 8.524 8.524 732 1HG PRO 102 2HG PRO 102 0.931 6.723 6.723 733 2HG PRO 102 1HG PRO 102 0.088 6.623 6.623 734 1HD PRO 102 2HD PRO 102 2.241 5.111 5.111 735 2HD PRO 102 1HD PRO 102 1.905 5.719 5.719 736 H ASP 103 H ASP 103 4.842 9.855 9.855 737 HA ASP 103 HA ASP 103 4.310 9.458 9.458 738 1HB ASP 103 2HB ASP 103 6.603 9.249 9.249 739 2HB ASP 103 1HB ASP 103 6.819 10.732 10.732 740 H ARG 104 H ARG 104 3.053 11.193 11.193 741 HA ARG 104 HA ARG 104 3.775 13.905 13.905 742 1HB ARG 104 2HB ARG 104 1.266 13.654 13.654 743 2HB ARG 104 1HB ARG 104 1.558 14.403 14.403 744 1HG ARG 104 2HG ARG 104 0.411 12.668 12.668 745 2HG ARG 104 1HG ARG 104 1.844 11.700 11.700 746 1HD ARG 104 2HD ARG 104 -0.639 11.955 11.955 747 2HD ARG 104 1HD ARG 104 0.139 10.481 10.481 748 HE ARG 104 HE ARG 104 1.903 12.052 12.052 749 1HH1 ARG 104 1HH2 ARG 104 1.790 9.031 9.031 750 2HH1 ARG 104 2HH2 ARG 104 1.133 8.597 8.597 751 1HH2 ARG 104 1HH1 ARG 104 0.010 11.800 11.800 752 2HH2 ARG 104 2HH1 ARG 104 0.125 10.165 10.165 753 H GLN 105 H GLN 105 5.523 14.150 14.150 754 HA GLN 105 HA GLN 105 4.660 14.310 14.310 755 1HB GLN 105 2HB GLN 105 6.614 12.852 12.852 756 2HB GLN 105 1HB GLN 105 7.488 14.380 14.380 757 1HG GLN 105 2HG GLN 105 7.782 14.503 14.503 758 2HG GLN 105 1HG GLN 105 6.111 14.041 14.041 759 1HE2 GLN 105 2HE2 GLN 105 7.221 10.886 10.886 760 2HE2 GLN 105 1HE2 GLN 105 6.250 12.249 12.249 761 H TRP 106 H TRP 106 4.529 16.353 16.353 762 HA TRP 106 HA TRP 106 5.835 18.614 18.614 763 1HB TRP 106 2HB TRP 106 6.969 18.159 18.159 764 2HB TRP 106 1HB TRP 106 5.435 18.078 18.078 765 HD1 TRP 106 HD TRP 106 5.228 20.156 20.156 766 HE1 TRP 106 1HE TRP 106 5.630 22.681 22.681 767 HE3 TRP 106 3HE TRP 106 7.135 20.136 20.136 768 HZ2 TRP 106 2HZ TRP 106 6.629 24.459 24.459 769 HZ3 TRP 106 3HZ TRP 106 7.803 22.256 22.256 770 HH2 TRP 106 HH TRP 106 7.552 24.415 24.415
Contact the webmaster for help, if required. Friday, June 28, 2024 9:18:13 PM GMT (wattos1)