REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2o2m_1_A DATA FIRST_RESID 6 DATA SEQUENCE SQSNRELVVD FLSYKLSQKG YSAGGGGGGG GMAXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXAVKQALR EAGDEFELRY DATA SEQUENCE RRAFSDLTSQ LHITPGTAYQ SFEQVVNELF RDGVNWGRIV AFFSFGGALC DATA SEQUENCE VESVDKEMQV LVSRIAAWMA TYLNDHLEPW IQENGGWDTF VELYG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 S HA 0.000 4.551 4.470 0.135 0.000 0.327 6 S C 0.000 174.684 174.600 0.140 0.000 1.055 6 S CA 0.000 58.289 58.200 0.149 0.000 1.107 6 S CB 0.000 63.263 63.200 0.105 0.000 0.593 7 Q N 2.519 122.384 119.800 0.109 0.000 2.446 7 Q HA -0.579 3.803 4.340 0.069 0.000 0.184 7 Q C 0.704 176.744 176.000 0.067 0.000 2.887 7 Q CA 3.189 59.041 55.803 0.081 0.000 0.208 7 Q CB -0.910 27.871 28.738 0.072 0.000 0.206 7 Q HN 0.667 9.000 8.270 0.105 0.000 0.395 8 S N 0.596 116.342 115.700 0.076 0.000 2.377 8 S HA -0.459 3.984 4.470 -0.045 0.000 0.224 8 S C 0.981 175.516 174.600 -0.108 0.000 1.042 8 S CA 3.237 61.421 58.200 -0.026 0.000 1.086 8 S CB -0.476 62.726 63.200 0.003 0.000 0.995 8 S HN 0.353 8.673 8.310 0.124 0.064 0.428 9 N N -0.108 118.589 118.700 -0.005 0.000 2.137 9 N HA -0.316 4.354 4.740 -0.116 0.000 0.190 9 N C 1.824 177.400 175.510 0.110 0.000 1.017 9 N CA 2.945 56.030 53.050 0.059 0.000 0.859 9 N CB -1.386 37.273 38.487 0.287 0.000 1.002 9 N HN 0.251 8.719 8.380 0.147 0.000 0.428 10 R N -0.142 120.422 120.500 0.106 0.000 2.091 10 R HA -0.414 4.008 4.340 0.137 0.000 0.238 10 R C 2.158 178.506 176.300 0.080 0.000 1.136 10 R CA 3.815 59.978 56.100 0.105 0.000 0.959 10 R CB -0.209 30.141 30.300 0.084 0.000 0.856 10 R HN 0.036 8.268 8.270 0.104 0.100 0.437 11 E N -0.646 119.575 120.200 0.034 0.000 2.077 11 E HA -0.278 4.089 4.350 0.029 0.000 0.193 11 E C 2.600 179.212 176.600 0.020 0.000 0.989 11 E CA 2.986 59.395 56.400 0.015 0.000 0.800 11 E CB -0.575 29.112 29.700 -0.022 0.000 0.746 11 E HN -0.441 7.829 8.360 0.018 0.100 0.452 12 L N -0.703 120.517 121.223 -0.006 0.000 2.012 12 L HA -0.440 3.865 4.340 -0.058 0.000 0.210 12 L C 1.939 178.892 176.870 0.138 0.000 1.073 12 L CA 3.558 58.388 54.840 -0.016 0.000 0.748 12 L CB -0.207 41.779 42.059 -0.123 0.000 0.891 12 L HN -0.625 7.499 8.230 -0.039 0.082 0.431 13 V N -0.622 119.452 119.914 0.266 0.000 2.219 13 V HA -0.552 3.880 4.120 0.520 0.000 0.248 13 V C 1.885 178.118 176.094 0.231 0.000 1.053 13 V CA 4.668 67.167 62.300 0.331 0.000 1.009 13 V CB -1.099 30.865 31.823 0.236 0.000 0.636 13 V HN -0.561 7.772 8.190 0.237 0.000 0.445 14 V N -0.455 119.544 119.914 0.141 0.000 2.317 14 V HA -0.584 3.589 4.120 0.088 0.000 0.251 14 V C 1.627 177.789 176.094 0.114 0.000 1.065 14 V CA 5.296 67.656 62.300 0.100 0.000 1.049 14 V CB -0.577 31.284 31.823 0.062 0.000 0.651 14 V HN -0.712 7.552 8.190 0.124 0.000 0.450 15 D N -0.096 120.372 120.400 0.113 0.000 2.078 15 D HA -0.325 4.360 4.640 0.075 0.000 0.193 15 D C 1.728 178.129 176.300 0.169 0.000 0.990 15 D CA 3.545 57.605 54.000 0.100 0.000 0.827 15 D CB 0.079 40.909 40.800 0.050 0.000 0.975 15 D HN -0.412 8.013 8.370 0.102 0.006 0.451 16 F N 0.434 120.427 119.950 0.072 0.000 2.126 16 F HA -0.450 4.217 4.527 0.232 0.000 0.299 16 F C 1.514 177.425 175.800 0.186 0.000 1.096 16 F CA 3.848 61.943 58.000 0.158 0.000 1.255 16 F CB 0.211 39.265 39.000 0.090 0.000 0.997 16 F HN 0.174 8.547 8.300 0.301 0.108 0.479 17 L N -0.311 121.103 121.223 0.317 0.000 1.961 17 L HA -0.564 3.881 4.340 0.175 0.000 0.210 17 L C 1.766 178.659 176.870 0.038 0.000 1.072 17 L CA 4.556 59.489 54.840 0.156 0.000 0.749 17 L CB -0.083 42.043 42.059 0.111 0.000 0.889 17 L HN 0.710 9.028 8.230 0.341 0.117 0.432 18 S N -1.012 114.725 115.700 0.060 0.000 2.392 18 S HA -0.456 4.030 4.470 0.026 0.000 0.232 18 S C 2.016 176.634 174.600 0.031 0.000 1.041 18 S CA 4.046 62.272 58.200 0.042 0.000 1.026 18 S CB -0.173 63.061 63.200 0.056 0.000 0.845 18 S HN 0.024 8.386 8.310 0.087 0.000 0.465 19 Y N 2.380 122.627 120.300 -0.089 0.000 2.114 19 Y HA -0.466 4.029 4.550 -0.092 0.000 0.284 19 Y C 1.197 176.999 175.900 -0.163 0.000 1.143 19 Y CA 2.771 60.786 58.100 -0.142 0.000 1.135 19 Y CB -0.289 38.034 38.460 -0.228 0.000 0.980 19 Y HN -0.061 8.285 8.280 0.138 0.016 0.499 20 K N -1.553 118.383 120.400 -0.774 0.000 2.103 20 K HA -0.375 3.234 4.320 -1.186 0.000 0.207 20 K C 2.909 179.280 176.600 -0.381 0.000 1.048 20 K CA 2.630 58.459 56.287 -0.762 0.000 0.930 20 K CB -0.495 31.745 32.500 -0.433 0.000 0.716 20 K HN -0.242 7.724 8.250 -0.474 0.000 0.444 21 L N -1.913 119.182 121.223 -0.212 0.000 2.044 21 L HA -0.295 3.986 4.340 -0.100 0.000 0.205 21 L C 2.466 179.310 176.870 -0.044 0.000 1.075 21 L CA 3.237 58.022 54.840 -0.091 0.000 0.747 21 L CB -0.237 41.807 42.059 -0.024 0.000 0.903 21 L HN 0.094 8.111 8.230 -0.185 0.102 0.435 22 S N -0.185 115.485 115.700 -0.051 0.000 2.400 22 S HA -0.256 4.496 4.470 0.023 -0.268 0.232 22 S C 2.653 177.232 174.600 -0.036 0.000 1.025 22 S CA 2.783 60.976 58.200 -0.010 0.000 0.993 22 S CB -0.295 62.918 63.200 0.023 0.000 0.808 22 S HN 0.073 8.342 8.310 -0.068 0.000 0.478 23 Q N 0.412 120.136 119.800 -0.127 0.000 2.226 23 Q HA -0.215 4.093 4.340 -0.053 0.000 0.204 23 Q C 1.241 177.206 176.000 -0.058 0.000 0.975 23 Q CA 2.575 58.309 55.803 -0.115 0.000 0.866 23 Q CB 0.171 28.758 28.738 -0.251 0.000 0.915 23 Q HN -0.466 7.546 8.270 -0.230 0.120 0.440 24 K N -3.766 116.606 120.400 -0.045 0.000 2.410 24 K HA 0.075 4.391 4.320 -0.006 0.000 0.200 24 K C 0.563 177.192 176.600 0.048 0.000 1.023 24 K CA -0.962 55.325 56.287 0.000 0.000 1.149 24 K CB 0.049 32.545 32.500 -0.005 0.000 0.859 24 K HN -0.467 7.596 8.250 -0.066 0.148 0.514 25 G N -0.511 108.311 108.800 0.037 0.000 2.420 25 G HA2 -0.335 3.630 3.960 0.009 0.000 0.221 25 G HA3 -0.335 3.645 3.960 0.033 0.000 0.221 25 G C -0.205 174.718 174.900 0.039 0.000 1.117 25 G CA 0.234 45.353 45.100 0.032 0.000 0.657 25 G HN -0.084 8.017 8.290 0.014 0.198 0.512 26 Y N 2.135 122.414 120.300 -0.036 0.000 2.117 26 Y HA -0.169 4.365 4.550 -0.027 0.000 0.380 26 Y C -0.618 175.263 175.900 -0.032 0.000 1.241 26 Y CA 1.348 59.427 58.100 -0.034 0.000 1.732 26 Y CB 0.762 39.198 38.460 -0.039 0.000 1.453 26 Y HN -0.752 7.589 8.280 0.251 0.090 0.740 27 S N -3.114 112.687 115.700 0.169 0.000 2.752 27 S HA 0.148 4.661 4.470 0.071 0.000 0.284 27 S C -1.514 173.157 174.600 0.119 0.000 1.189 27 S CA -1.341 56.911 58.200 0.085 0.000 0.835 27 S CB 0.768 63.968 63.200 0.001 0.000 1.192 27 S HN 0.103 8.604 8.310 0.320 0.000 0.506 28 A N 0.022 122.880 122.820 0.063 0.000 2.351 28 A HA 0.044 4.396 4.320 0.054 0.000 0.296 28 A C -1.706 175.898 177.584 0.033 0.000 1.028 28 A CA 0.206 52.275 52.037 0.053 0.000 0.575 28 A CB 0.744 19.776 19.000 0.053 0.000 1.461 28 A HN -0.058 8.119 8.150 0.043 0.000 0.589 29 G N -0.066 108.750 108.800 0.027 0.000 2.624 29 G HA2 -0.117 3.855 3.960 0.019 0.000 0.292 29 G HA3 -0.117 3.855 3.960 0.020 0.000 0.292 29 G C -0.033 174.884 174.900 0.028 0.000 0.777 29 G CA 0.124 45.237 45.100 0.023 0.000 1.883 29 G HN 0.089 8.394 8.290 0.026 0.000 0.505 30 G N 1.537 110.354 108.800 0.027 0.000 2.527 30 G HA2 -0.052 3.932 3.960 0.042 0.000 0.248 30 G HA3 -0.052 3.925 3.960 0.029 0.000 0.248 30 G C -0.951 173.964 174.900 0.025 0.000 1.231 30 G CA -0.322 44.797 45.100 0.031 0.000 0.838 30 G HN -0.405 7.886 8.290 0.024 0.013 0.570 31 G N -1.367 107.449 108.800 0.026 0.000 4.632 31 G HA2 0.179 4.146 3.960 0.012 0.000 0.244 31 G HA3 0.179 4.150 3.960 0.019 0.000 0.244 31 G C -0.478 174.425 174.900 0.005 0.000 1.070 31 G CA -0.147 44.962 45.100 0.016 0.000 0.791 31 G HN 0.180 8.491 8.290 0.034 0.000 0.544 32 G N -0.320 108.480 108.800 0.000 0.000 2.453 32 G HA2 -0.091 3.984 3.960 -0.022 0.000 0.215 32 G HA3 -0.091 3.860 3.960 -0.015 0.000 0.215 32 G C 0.638 175.529 174.900 -0.015 0.000 1.147 32 G CA 0.535 45.627 45.100 -0.014 0.000 0.802 32 G HN 0.026 8.319 8.290 0.005 0.000 0.535 33 G N -1.598 107.197 108.800 -0.008 0.000 4.424 33 G HA2 0.119 4.073 3.960 -0.010 0.000 0.287 33 G HA3 0.119 4.075 3.960 -0.006 0.000 0.287 33 G C -0.209 174.689 174.900 -0.003 0.000 1.023 33 G CA -0.237 44.858 45.100 -0.007 0.000 0.790 33 G HN -0.525 7.763 8.290 -0.004 0.000 0.468 34 G N 0.973 109.772 108.800 -0.002 0.000 2.473 34 G HA2 0.048 4.010 3.960 0.003 0.000 0.212 34 G HA3 0.048 4.010 3.960 0.004 0.000 0.212 34 G C 0.720 175.621 174.900 0.001 0.000 1.211 34 G CA -0.109 44.992 45.100 0.002 0.000 0.813 34 G HN 0.066 8.355 8.290 -0.003 0.000 0.541 35 G N 1.182 109.981 108.800 -0.002 0.000 3.229 35 G HA2 0.194 4.156 3.960 0.004 0.000 0.165 35 G HA3 0.194 4.151 3.960 -0.004 0.000 0.165 35 G C -0.835 174.062 174.900 -0.004 0.000 1.753 35 G CA -0.425 44.674 45.100 -0.002 0.000 1.054 35 G HN -0.147 8.141 8.290 -0.004 0.000 0.544 36 G N -2.263 106.530 108.800 -0.011 0.000 3.247 36 G HA2 0.175 4.134 3.960 -0.002 0.000 0.163 36 G HA3 0.175 4.136 3.960 0.001 0.000 0.163 36 G C -0.036 174.849 174.900 -0.025 0.000 1.206 36 G CA -0.473 44.622 45.100 -0.008 0.000 0.918 36 G HN -0.290 7.990 8.290 -0.016 0.000 0.625 37 M N -1.208 118.379 119.600 -0.022 0.000 7.303 37 M HA -0.499 3.974 4.480 -0.012 0.000 0.147 37 M C -0.006 176.283 176.300 -0.019 0.000 0.481 37 M CA 1.913 57.191 55.300 -0.037 0.000 1.308 37 M CB -0.908 31.625 32.600 -0.111 0.000 0.437 37 M HN 0.182 8.471 8.290 -0.001 0.000 0.259 90 V N 1.085 121.017 119.914 0.031 0.000 2.255 90 V HA -0.603 3.615 4.120 0.164 0.000 0.247 90 V C 1.180 177.284 176.094 0.016 0.000 1.051 90 V CA 3.405 65.739 62.300 0.057 0.000 1.018 90 V CB 0.036 31.840 31.823 -0.032 0.000 0.641 90 V HN 0.141 8.342 8.190 0.018 0.000 0.445 91 K N -1.746 118.626 120.400 -0.047 0.000 2.074 91 K HA -0.446 3.821 4.320 -0.088 0.000 0.209 91 K C 2.702 179.274 176.600 -0.046 0.000 1.048 91 K CA 3.749 59.998 56.287 -0.062 0.000 0.926 91 K CB -0.638 31.823 32.500 -0.065 0.000 0.713 91 K HN -0.093 8.123 8.250 -0.056 0.000 0.444 92 Q N -1.309 118.468 119.800 -0.037 0.000 2.016 92 Q HA -0.281 3.993 4.340 -0.109 0.000 0.200 92 Q C 2.264 178.265 176.000 0.000 0.000 0.978 92 Q CA 3.013 58.785 55.803 -0.052 0.000 0.833 92 Q CB 0.106 28.817 28.738 -0.045 0.000 0.895 92 Q HN -0.362 7.887 8.270 -0.028 0.004 0.427 93 A N 0.096 122.952 122.820 0.060 0.000 1.917 93 A HA -0.338 3.995 4.320 0.021 0.000 0.219 93 A C 1.987 179.746 177.584 0.291 0.000 1.182 93 A CA 3.340 55.443 52.037 0.110 0.000 0.633 93 A CB -0.501 18.559 19.000 0.100 0.000 0.819 93 A HN 0.373 8.553 8.150 0.051 0.000 0.448 94 L N -1.879 119.554 121.223 0.350 0.000 2.156 94 L HA -0.251 4.411 4.340 0.536 0.000 0.208 94 L C 1.544 178.592 176.870 0.297 0.000 1.095 94 L CA 2.654 57.676 54.840 0.303 0.000 0.770 94 L CB -0.535 41.477 42.059 -0.079 0.000 0.914 94 L HN 0.320 8.690 8.230 0.244 0.006 0.439 95 R N -0.495 120.065 120.500 0.099 0.000 2.070 95 R HA -0.446 3.796 4.340 -0.163 0.000 0.232 95 R C 2.086 178.374 176.300 -0.020 0.000 1.138 95 R CA 3.836 59.844 56.100 -0.153 0.000 0.936 95 R CB -0.399 29.606 30.300 -0.492 0.000 0.839 95 R HN -0.253 7.925 8.270 0.040 0.117 0.429 96 E N -1.386 118.819 120.200 0.008 0.000 2.051 96 E HA -0.324 4.057 4.350 0.052 0.000 0.192 96 E C 2.026 178.728 176.600 0.170 0.000 0.991 96 E CA 2.989 59.429 56.400 0.067 0.000 0.799 96 E CB -0.057 29.662 29.700 0.033 0.000 0.748 96 E HN -0.301 8.049 8.360 -0.016 0.000 0.449 97 A N -0.577 122.373 122.820 0.216 0.000 1.873 97 A HA -0.415 4.008 4.320 0.171 0.000 0.218 97 A C 1.729 179.556 177.584 0.404 0.000 1.193 97 A CA 3.323 55.520 52.037 0.268 0.000 0.629 97 A CB -0.762 18.458 19.000 0.366 0.000 0.826 97 A HN -0.329 7.944 8.150 0.204 0.000 0.447 98 G N -3.671 105.444 108.800 0.525 0.000 2.462 98 G HA2 -0.410 3.994 3.960 0.740 0.000 0.220 98 G HA3 -0.410 4.060 3.960 0.850 0.000 0.220 98 G C 0.709 175.925 174.900 0.527 0.000 1.121 98 G CA 1.965 47.465 45.100 0.666 0.000 0.758 98 G HN 0.033 8.635 8.290 0.521 0.000 0.559 99 D N 1.810 122.447 120.400 0.394 0.000 2.103 99 D HA -0.187 4.630 4.640 0.294 0.000 0.199 99 D C 2.026 178.486 176.300 0.265 0.000 0.978 99 D CA 2.622 56.802 54.000 0.299 0.000 0.829 99 D CB 0.096 41.039 40.800 0.239 0.000 0.981 99 D HN -0.714 7.727 8.370 0.359 0.145 0.464 100 E N 0.185 120.539 120.200 0.257 0.000 2.107 100 E HA -0.252 4.199 4.350 0.167 0.000 0.191 100 E C 2.373 179.164 176.600 0.318 0.000 0.982 100 E CA 2.606 59.137 56.400 0.218 0.000 0.809 100 E CB 0.211 30.004 29.700 0.155 0.000 0.756 100 E HN -0.215 8.298 8.360 0.254 0.000 0.459 101 F N 0.267 120.351 119.950 0.225 0.000 2.043 101 F HA -0.394 4.277 4.527 0.239 0.000 0.297 101 F C 1.429 177.357 175.800 0.212 0.000 1.121 101 F CA 1.821 59.995 58.000 0.289 0.000 1.199 101 F CB -0.055 39.214 39.000 0.449 0.000 0.968 101 F HN 0.618 9.115 8.300 0.512 0.110 0.478 102 E N -0.910 119.543 120.200 0.423 0.000 2.118 102 E HA -0.430 3.834 4.350 -0.143 0.000 0.195 102 E C 2.075 178.690 176.600 0.025 0.000 0.992 102 E CA 2.782 59.289 56.400 0.179 0.000 0.804 102 E CB -0.353 29.561 29.700 0.355 0.000 0.741 102 E HN -0.643 8.058 8.360 0.568 0.000 0.458 103 L N -1.135 120.152 121.223 0.105 0.000 2.042 103 L HA -0.336 4.025 4.340 0.036 0.000 0.210 103 L C 2.671 179.531 176.870 -0.017 0.000 1.076 103 L CA 2.840 57.711 54.840 0.051 0.000 0.749 103 L CB -0.161 41.946 42.059 0.079 0.000 0.893 103 L HN -0.717 7.527 8.230 0.189 0.099 0.432 104 R N -1.070 119.428 120.500 -0.003 0.000 2.057 104 R HA -0.217 4.049 4.340 -0.124 0.000 0.229 104 R C 2.496 178.602 176.300 -0.323 0.000 1.136 104 R CA 3.111 59.143 56.100 -0.114 0.000 0.952 104 R CB 0.489 30.788 30.300 -0.003 0.000 0.848 104 R HN -0.517 7.712 8.270 0.096 0.098 0.430 105 Y N -1.513 118.558 120.300 -0.381 0.000 2.928 105 Y HA 0.161 4.505 4.550 -0.344 0.000 0.390 105 Y C -1.341 174.182 175.900 -0.629 0.000 1.101 105 Y CA -1.011 56.724 58.100 -0.608 0.000 1.777 105 Y CB -1.773 36.047 38.460 -1.066 0.000 1.720 105 Y HN -0.028 8.165 8.280 -0.146 0.000 0.484 106 R N 1.149 121.513 120.500 -0.227 0.000 2.152 106 R HA -0.309 4.050 4.340 -0.082 -0.069 0.232 106 R C 1.498 177.768 176.300 -0.050 0.000 1.117 106 R CA 3.295 59.332 56.100 -0.106 0.000 0.981 106 R CB -0.034 30.233 30.300 -0.056 0.000 0.870 106 R HN -0.583 7.486 8.270 -0.207 0.077 0.451 107 R N -1.523 118.941 120.500 -0.061 0.000 2.052 107 R HA -0.179 4.161 4.340 -0.000 0.000 0.224 107 R C 1.131 177.449 176.300 0.029 0.000 1.149 107 R CA 2.708 58.800 56.100 -0.012 0.000 0.962 107 R CB -0.490 29.797 30.300 -0.021 0.000 0.856 107 R HN 0.181 8.363 8.270 -0.103 0.026 0.433 108 A N -0.878 121.972 122.820 0.050 0.000 1.852 108 A HA -0.278 4.095 4.320 0.089 0.000 0.217 108 A C 2.561 180.259 177.584 0.189 0.000 1.215 108 A CA 2.788 54.895 52.037 0.117 0.000 0.641 108 A CB -0.674 18.440 19.000 0.190 0.000 0.838 108 A HN -0.023 8.147 8.150 0.034 0.000 0.450 109 F N -3.343 116.578 119.950 -0.049 0.000 2.087 109 F HA -0.373 4.064 4.527 -0.149 0.000 0.299 109 F C 2.221 177.986 175.800 -0.059 0.000 1.100 109 F CA 0.678 58.622 58.000 -0.094 0.000 1.226 109 F CB -1.559 37.387 39.000 -0.090 0.000 0.983 109 F HN -0.444 7.916 8.300 0.099 0.000 0.479 110 S N -1.086 114.718 115.700 0.173 0.000 2.407 110 S HA -0.420 4.107 4.470 0.096 0.000 0.235 110 S C 1.882 176.509 174.600 0.044 0.000 1.036 110 S CA 3.409 61.663 58.200 0.089 0.000 1.013 110 S CB -0.408 62.827 63.200 0.059 0.000 0.820 110 S HN -0.444 7.961 8.310 0.165 0.003 0.476 111 D N 0.546 120.965 120.400 0.031 0.000 2.162 111 D HA -0.091 4.540 4.640 -0.014 0.000 0.203 111 D C 1.614 177.870 176.300 -0.073 0.000 0.967 111 D CA 2.433 56.424 54.000 -0.015 0.000 0.840 111 D CB 0.297 41.089 40.800 -0.013 0.000 0.972 111 D HN -0.089 8.160 8.370 0.060 0.157 0.482 112 L N -0.353 120.812 121.223 -0.097 0.000 1.970 112 L HA -0.361 3.795 4.340 -0.307 0.000 0.212 112 L C 2.158 178.889 176.870 -0.231 0.000 1.071 112 L CA 3.304 57.989 54.840 -0.258 0.000 0.751 112 L CB -0.188 41.653 42.059 -0.363 0.000 0.889 112 L HN -0.555 7.550 8.230 -0.029 0.108 0.432 113 T N -0.310 114.202 114.554 -0.070 0.000 2.778 113 T HA -0.425 4.052 4.350 0.212 0.000 0.269 113 T C 1.651 176.319 174.700 -0.053 0.000 1.050 113 T CA 4.584 66.714 62.100 0.051 0.000 1.137 113 T CB -0.363 68.556 68.868 0.085 0.000 0.860 113 T HN -0.136 8.083 8.240 -0.036 0.000 0.468 114 S N -0.962 114.683 115.700 -0.091 0.000 2.561 114 S HA -0.109 4.241 4.470 -0.201 0.000 0.225 114 S C 0.631 175.096 174.600 -0.226 0.000 0.977 114 S CA 1.161 59.272 58.200 -0.148 0.000 0.926 114 S CB -0.378 62.792 63.200 -0.050 0.000 0.769 114 S HN -0.375 7.765 8.310 -0.064 0.131 0.533 115 Q N 0.161 119.841 119.800 -0.199 0.000 2.217 115 Q HA 0.025 4.270 4.340 -0.157 0.000 0.226 115 Q C -1.714 174.184 176.000 -0.170 0.000 0.875 115 Q CA -0.165 55.525 55.803 -0.189 0.000 0.974 115 Q CB 0.948 29.561 28.738 -0.208 0.000 1.079 115 Q HN 0.028 7.975 8.270 -0.186 0.212 0.463 116 L N -2.252 118.847 121.223 -0.206 0.000 3.055 116 L HA 0.163 4.486 4.340 -0.030 0.000 0.261 116 L C -1.976 174.811 176.870 -0.139 0.000 0.939 116 L CA 0.603 55.405 54.840 -0.063 0.000 1.091 116 L CB 1.985 44.147 42.059 0.172 0.000 1.690 116 L HN -0.843 7.076 8.230 -0.355 0.098 0.520 117 H N 5.742 124.870 119.070 0.096 0.000 2.439 117 H HA 0.218 4.813 4.556 0.065 0.000 0.239 117 H C -0.739 174.632 175.328 0.072 0.000 1.432 117 H CA -1.997 54.092 56.048 0.069 0.000 1.373 117 H CB -0.644 29.145 29.762 0.044 0.000 1.463 117 H HN 0.101 8.442 8.280 0.101 0.000 0.530 118 I N 3.467 124.139 120.570 0.170 0.000 2.906 118 I HA -0.347 3.927 4.170 0.173 0.000 0.301 118 I C -1.184 174.976 176.117 0.072 0.000 1.221 118 I CA 0.825 62.196 61.300 0.118 0.000 1.435 118 I CB 0.271 38.287 38.000 0.027 0.000 1.345 118 I HN 0.035 8.333 8.210 0.148 0.000 0.558 119 T N 7.198 121.793 114.554 0.068 0.000 2.864 119 T HA 0.503 4.858 4.350 0.009 0.000 0.299 119 T C -1.607 173.107 174.700 0.024 0.000 1.166 119 T CA -2.871 59.250 62.100 0.036 0.000 1.007 119 T CB 0.681 69.579 68.868 0.051 0.000 1.219 119 T HN 0.134 8.438 8.240 0.107 0.000 0.506 120 P HA -0.187 4.222 4.420 -0.018 0.000 0.218 120 P C -0.703 176.622 177.300 0.043 0.000 1.146 120 P CA 1.313 64.416 63.100 0.005 0.000 0.813 120 P CB 0.004 31.704 31.700 -0.001 0.000 0.778 121 G N -4.640 104.194 108.800 0.057 0.000 3.959 121 G HA2 0.222 4.228 3.960 0.077 0.000 0.298 121 G HA3 0.222 4.216 3.960 0.058 0.000 0.298 121 G C -1.200 173.765 174.900 0.108 0.000 1.211 121 G CA -0.811 44.333 45.100 0.074 0.000 1.001 121 G HN -0.184 8.098 8.290 0.048 0.037 0.561 122 T N 2.932 117.583 114.554 0.162 0.000 2.771 122 T HA 0.136 4.587 4.350 0.167 0.000 0.281 122 T C -1.474 173.442 174.700 0.361 0.000 0.982 122 T CA -0.492 61.750 62.100 0.236 0.000 0.978 122 T CB 1.395 70.433 68.868 0.282 0.000 0.930 122 T HN -0.536 7.714 8.240 0.152 0.081 0.447 123 A N 6.856 129.792 122.820 0.193 0.000 2.327 123 A HA 0.200 4.643 4.320 0.205 0.000 0.283 123 A C 0.490 177.926 177.584 -0.248 0.000 1.127 123 A CA -0.997 51.079 52.037 0.065 0.000 0.810 123 A CB 1.488 20.445 19.000 -0.073 0.000 1.066 123 A HN 0.299 8.520 8.150 0.118 0.000 0.492 124 Y N 2.282 122.166 120.300 -0.694 0.000 2.241 124 Y HA -0.548 2.005 4.550 -3.328 0.000 0.286 124 Y C 1.212 176.726 175.900 -0.642 0.000 1.166 124 Y CA 2.957 60.092 58.100 -1.609 0.000 1.203 124 Y CB -0.801 36.772 38.460 -1.478 0.000 0.977 124 Y HN 0.530 8.765 8.280 -0.073 0.000 0.529 125 Q N 0.365 119.399 119.800 -1.276 0.000 2.045 125 Q HA -0.502 3.322 4.340 -0.859 0.000 0.206 125 Q C 2.484 178.285 176.000 -0.332 0.000 0.991 125 Q CA 4.104 59.407 55.803 -0.833 0.000 0.851 125 Q CB -0.630 27.702 28.738 -0.676 0.000 0.911 125 Q HN 0.408 7.810 8.270 -1.399 0.028 0.418 126 S N -0.499 115.068 115.700 -0.222 0.000 2.387 126 S HA -0.349 4.071 4.470 -0.083 0.000 0.230 126 S C 1.736 176.337 174.600 0.003 0.000 1.035 126 S CA 3.308 61.468 58.200 -0.067 0.000 1.014 126 S CB -0.232 62.979 63.200 0.018 0.000 0.836 126 S HN -0.472 7.680 8.310 -0.263 0.000 0.466 127 F N 1.779 121.668 119.950 -0.102 0.000 2.051 127 F HA -0.335 4.275 4.527 0.138 0.000 0.296 127 F C 1.052 176.816 175.800 -0.060 0.000 1.122 127 F CA 2.630 60.642 58.000 0.019 0.000 1.201 127 F CB 0.223 39.285 39.000 0.102 0.000 0.978 127 F HN -0.984 7.237 8.300 0.040 0.103 0.472 128 E N -1.378 118.881 120.200 0.100 0.000 2.209 128 E HA -0.563 3.658 4.350 -0.216 0.000 0.196 128 E C 2.175 178.700 176.600 -0.124 0.000 0.993 128 E CA 2.938 59.332 56.400 -0.010 0.000 0.819 128 E CB -0.310 29.529 29.700 0.232 0.000 0.745 128 E HN -0.288 8.186 8.360 0.191 0.000 0.477 129 Q N -1.825 117.901 119.800 -0.123 0.000 2.119 129 Q HA -0.201 4.092 4.340 -0.078 0.000 0.201 129 Q C 2.459 178.341 176.000 -0.196 0.000 0.972 129 Q CA 3.068 58.797 55.803 -0.122 0.000 0.847 129 Q CB 0.106 28.782 28.738 -0.103 0.000 0.903 129 Q HN -0.061 8.019 8.270 -0.108 0.125 0.433 130 V N -2.490 117.260 119.914 -0.273 0.000 3.129 130 V HA -0.170 3.878 4.120 -0.305 -0.112 0.259 130 V C 1.359 177.129 176.094 -0.540 0.000 1.116 130 V CA 1.992 64.072 62.300 -0.367 0.000 1.127 130 V CB -0.136 31.481 31.823 -0.344 0.000 0.742 130 V HN -0.360 7.569 8.190 -0.258 0.106 0.474 131 V N -0.520 119.027 119.914 -0.611 0.000 3.235 131 V HA -0.247 3.400 4.120 -0.788 0.000 0.259 131 V C 1.308 176.991 176.094 -0.684 0.000 1.133 131 V CA 2.760 64.587 62.300 -0.788 0.000 1.128 131 V CB -0.266 30.854 31.823 -1.171 0.000 0.757 131 V HN -0.377 7.323 8.190 -0.560 0.154 0.469 132 N N -0.821 117.655 118.700 -0.374 0.000 2.250 132 N HA -0.196 4.440 4.740 -0.174 0.000 0.181 132 N C 0.347 175.749 175.510 -0.180 0.000 1.017 132 N CA 2.054 54.992 53.050 -0.186 0.000 0.866 132 N CB 0.400 38.877 38.487 -0.017 0.000 0.985 132 N HN -0.682 7.472 8.380 -0.324 0.032 0.429 133 E N -2.180 117.891 120.200 -0.216 0.000 2.130 133 E HA -0.294 3.994 4.350 -0.104 0.000 0.196 133 E C 2.454 178.962 176.600 -0.154 0.000 0.998 133 E CA 2.216 58.517 56.400 -0.166 0.000 0.806 133 E CB -0.486 29.099 29.700 -0.192 0.000 0.738 133 E HN -0.515 7.693 8.360 -0.254 0.000 0.459 134 L N -1.168 119.898 121.223 -0.261 0.000 2.109 134 L HA -0.187 4.097 4.340 -0.094 0.000 0.207 134 L C 1.008 177.958 176.870 0.133 0.000 1.086 134 L CA 2.012 56.757 54.840 -0.158 0.000 0.760 134 L CB 0.433 42.290 42.059 -0.337 0.000 0.910 134 L HN -0.325 7.652 8.230 -0.402 0.012 0.437 135 F N -6.330 113.548 119.950 -0.120 0.000 2.713 135 F HA 0.255 4.701 4.527 -0.134 0.000 0.294 135 F C 0.963 176.706 175.800 -0.095 0.000 1.152 135 F CA -3.336 54.586 58.000 -0.131 0.000 1.385 135 F CB -2.404 36.486 39.000 -0.183 0.000 0.981 135 F HN -0.787 7.272 8.300 -0.260 0.085 0.514 136 R N 0.067 120.620 120.500 0.087 0.000 2.119 136 R HA -0.156 4.224 4.340 0.067 0.000 0.222 136 R C 0.237 176.561 176.300 0.040 0.000 1.088 136 R CA 2.113 58.242 56.100 0.049 0.000 0.984 136 R CB 0.262 30.568 30.300 0.010 0.000 0.884 136 R HN -0.667 7.456 8.270 0.059 0.183 0.447 137 D N -0.962 119.453 120.400 0.026 0.000 3.071 137 D HA 0.219 4.863 4.640 0.008 0.000 0.259 137 D C -0.984 175.292 176.300 -0.039 0.000 1.331 137 D CA -0.371 53.630 54.000 0.001 0.000 0.861 137 D CB 0.003 40.803 40.800 -0.001 0.000 1.059 137 D HN -0.168 8.224 8.370 0.037 0.000 0.486 138 G N -1.599 107.170 108.800 -0.052 0.000 2.712 138 G HA2 -0.357 3.518 3.960 -0.141 0.000 0.686 138 G HA3 -0.357 3.486 3.960 -0.195 0.000 0.686 138 G C -2.052 172.639 174.900 -0.348 0.000 1.321 138 G CA -0.697 44.295 45.100 -0.180 0.000 0.813 138 G HN -0.744 7.467 8.290 0.000 0.080 0.599 139 V N -0.448 119.042 119.914 -0.707 0.000 2.716 139 V HA 0.150 3.772 4.120 -0.830 0.000 0.304 139 V C -0.927 174.664 176.094 -0.839 0.000 1.053 139 V CA -0.407 61.340 62.300 -0.921 0.000 0.984 139 V CB 1.016 32.097 31.823 -1.236 0.000 1.021 139 V HN 0.126 7.776 8.190 -0.900 0.000 0.467 140 N N 1.790 120.079 118.700 -0.685 0.000 2.636 140 N HA 0.135 4.457 4.740 -0.698 0.000 0.261 140 N C -0.029 175.307 175.510 -0.289 0.000 1.195 140 N CA -1.118 51.627 53.050 -0.508 0.000 0.902 140 N CB 1.755 40.080 38.487 -0.269 0.000 1.627 140 N HN -0.540 7.403 8.380 -0.729 0.000 0.491 141 W N 2.923 124.225 121.300 0.004 0.000 2.290 141 W HA -0.420 4.333 4.660 0.156 0.000 0.318 141 W C 1.647 178.217 176.519 0.084 0.000 1.248 141 W CA 3.073 60.515 57.345 0.163 0.000 1.263 141 W CB 0.063 29.796 29.460 0.455 0.000 1.147 141 W HN 0.619 8.524 8.180 -0.458 0.000 0.494 142 G N -2.170 106.737 108.800 0.178 0.000 2.484 142 G HA2 -0.411 3.384 3.960 -0.274 0.000 0.215 142 G HA3 -0.411 3.453 3.960 -0.158 0.000 0.215 142 G C 1.043 176.043 174.900 0.167 0.000 1.219 142 G CA 1.718 46.775 45.100 -0.072 0.000 0.791 142 G HN 0.153 8.552 8.290 0.185 0.002 0.550 143 R N 1.141 121.762 120.500 0.202 0.000 2.154 143 R HA -0.309 4.310 4.340 0.465 0.000 0.248 143 R C 2.480 179.071 176.300 0.484 0.000 1.155 143 R CA 2.869 59.179 56.100 0.350 0.000 0.979 143 R CB -0.543 29.879 30.300 0.205 0.000 0.869 143 R HN 0.114 8.437 8.270 0.089 0.000 0.452 144 I N -0.202 120.525 120.570 0.262 0.000 2.202 144 I HA -0.428 4.056 4.170 0.524 0.000 0.242 144 I C 1.393 177.832 176.117 0.537 0.000 1.091 144 I CA 3.887 65.403 61.300 0.360 0.000 1.368 144 I CB -0.160 37.955 38.000 0.192 0.000 1.058 144 I HN 0.014 8.181 8.210 0.123 0.117 0.410 145 V N -0.669 119.535 119.914 0.483 0.000 2.527 145 V HA -0.527 3.867 4.120 0.456 0.000 0.255 145 V C 1.979 178.436 176.094 0.605 0.000 1.081 145 V CA 3.737 66.351 62.300 0.523 0.000 1.092 145 V CB -1.400 30.669 31.823 0.411 0.000 0.673 145 V HN -0.178 8.167 8.190 0.394 0.082 0.470 146 A N -0.438 122.756 122.820 0.624 0.000 1.897 146 A HA -0.282 3.948 4.320 -0.151 0.000 0.215 146 A C 1.058 178.669 177.584 0.045 0.000 1.181 146 A CA 2.959 55.039 52.037 0.071 0.000 0.620 146 A CB -0.786 18.072 19.000 -0.238 0.000 0.821 146 A HN -0.457 8.001 8.150 0.746 0.140 0.443 147 F N 0.735 120.743 119.950 0.097 0.000 2.087 147 F HA -0.463 4.054 4.527 -0.016 0.000 0.299 147 F C 1.232 177.000 175.800 -0.054 0.000 1.100 147 F CA 2.775 60.788 58.000 0.022 0.000 1.226 147 F CB -0.284 38.784 39.000 0.114 0.000 0.983 147 F HN -0.518 7.999 8.300 0.520 0.095 0.479 148 F N -2.922 116.790 119.950 -0.397 0.000 2.171 148 F HA -0.429 3.505 4.527 -0.988 0.000 0.300 148 F C 2.225 177.676 175.800 -0.581 0.000 1.090 148 F CA 4.379 61.873 58.000 -0.842 0.000 1.293 148 F CB -0.528 37.748 39.000 -1.208 0.000 1.013 148 F HN -0.611 7.773 8.300 0.143 0.001 0.486 149 S N 0.165 115.855 115.700 -0.016 0.000 2.387 149 S HA -0.394 4.433 4.470 0.597 0.000 0.226 149 S C 1.536 176.195 174.600 0.097 0.000 1.026 149 S CA 3.233 61.573 58.200 0.233 0.000 0.972 149 S CB 0.075 63.375 63.200 0.166 0.000 0.814 149 S HN -0.711 7.499 8.310 0.017 0.110 0.477 150 F N 3.916 123.736 119.950 -0.216 0.000 2.102 150 F HA -0.186 4.217 4.527 -0.206 0.000 0.298 150 F C 1.636 177.366 175.800 -0.116 0.000 1.105 150 F CA 1.412 59.282 58.000 -0.216 0.000 1.239 150 F CB -0.483 38.345 39.000 -0.287 0.000 0.991 150 F HN 0.601 8.701 8.300 -0.009 0.195 0.474 151 G N -2.399 106.135 108.800 -0.444 0.000 2.422 151 G HA2 -0.443 3.161 3.960 -0.593 0.000 0.218 151 G HA3 -0.443 3.270 3.960 -0.412 0.000 0.218 151 G C 1.229 176.009 174.900 -0.199 0.000 1.146 151 G CA 1.973 46.810 45.100 -0.439 0.000 0.769 151 G HN -0.085 7.962 8.290 -0.406 0.000 0.547 152 G N 0.976 109.771 108.800 -0.009 0.000 2.421 152 G HA2 -0.365 3.619 3.960 0.040 0.000 0.216 152 G HA3 -0.365 3.709 3.960 0.189 0.000 0.216 152 G C 0.527 175.418 174.900 -0.015 0.000 1.171 152 G CA 1.457 46.596 45.100 0.065 0.000 0.775 152 G HN -0.487 7.742 8.290 0.044 0.087 0.543 153 A N 2.504 125.329 122.820 0.009 0.000 1.865 153 A HA -0.262 4.064 4.320 0.010 0.000 0.217 153 A C 1.993 179.561 177.584 -0.027 0.000 1.191 153 A CA 3.004 55.049 52.037 0.014 0.000 0.623 153 A CB -0.749 18.299 19.000 0.080 0.000 0.826 153 A HN -0.200 7.976 8.150 0.042 0.000 0.444 154 L N -2.148 119.028 121.223 -0.079 0.000 2.081 154 L HA -0.280 4.045 4.340 -0.025 0.000 0.212 154 L C 2.367 179.176 176.870 -0.102 0.000 1.080 154 L CA 3.289 58.072 54.840 -0.093 0.000 0.754 154 L CB -0.557 41.382 42.059 -0.200 0.000 0.893 154 L HN -0.411 7.739 8.230 -0.132 0.000 0.433 155 C N -1.775 117.450 119.300 -0.126 0.000 2.462 155 C HA -0.512 3.856 4.460 -0.153 0.000 0.278 155 C C 1.991 176.899 174.990 -0.137 0.000 1.253 155 C CA 5.239 64.175 59.018 -0.136 0.000 1.713 155 C CB -0.715 26.950 27.740 -0.124 0.000 2.049 155 C HN -0.409 7.641 8.230 -0.130 0.102 0.477 156 V N -0.233 119.612 119.914 -0.116 0.000 2.453 156 V HA -0.572 3.446 4.120 -0.171 0.000 0.252 156 V C 2.389 178.415 176.094 -0.114 0.000 1.068 156 V CA 4.958 67.183 62.300 -0.125 0.000 1.070 156 V CB -0.735 31.038 31.823 -0.083 0.000 0.664 156 V HN 0.359 8.492 8.190 -0.094 0.000 0.461 157 E N -1.142 119.015 120.200 -0.073 0.000 2.152 157 E HA -0.238 4.090 4.350 -0.036 0.000 0.192 157 E C 2.386 178.946 176.600 -0.067 0.000 0.983 157 E CA 2.628 59.003 56.400 -0.042 0.000 0.818 157 E CB -0.280 29.427 29.700 0.012 0.000 0.758 157 E HN -0.116 8.094 8.360 -0.064 0.112 0.467 158 S N -0.378 115.264 115.700 -0.096 0.000 2.423 158 S HA -0.319 4.104 4.470 -0.078 0.000 0.231 158 S C 1.503 176.013 174.600 -0.150 0.000 1.014 158 S CA 3.096 61.230 58.200 -0.110 0.000 0.965 158 S CB 0.020 63.142 63.200 -0.131 0.000 0.785 158 S HN -0.356 7.780 8.310 -0.101 0.113 0.495 159 V N -0.117 119.663 119.914 -0.223 0.000 2.649 159 V HA -0.356 3.570 4.120 -0.323 0.000 0.248 159 V C 1.573 177.526 176.094 -0.234 0.000 1.054 159 V CA 3.363 65.451 62.300 -0.354 0.000 1.073 159 V CB -0.476 30.923 31.823 -0.706 0.000 0.699 159 V HN -0.565 7.367 8.190 -0.215 0.128 0.463 160 D N 1.341 121.652 120.400 -0.149 0.000 2.178 160 D HA -0.149 4.457 4.640 -0.056 0.000 0.202 160 D C 0.875 177.148 176.300 -0.045 0.000 0.974 160 D CA 2.597 56.554 54.000 -0.072 0.000 0.841 160 D CB 0.089 40.862 40.800 -0.046 0.000 0.953 160 D HN -0.670 7.511 8.370 -0.148 0.101 0.478 161 K N -2.014 118.354 120.400 -0.054 0.000 2.577 161 K HA 0.103 4.407 4.320 -0.027 0.000 0.210 161 K C -1.304 175.275 176.600 -0.036 0.000 1.048 161 K CA -0.902 55.363 56.287 -0.037 0.000 1.188 161 K CB -0.126 32.352 32.500 -0.036 0.000 0.910 161 K HN -0.805 7.380 8.250 -0.072 0.021 0.483 162 E N -2.362 117.817 120.200 -0.035 0.000 2.222 162 E HA -0.450 3.896 4.350 -0.007 0.000 0.189 162 E C -1.144 175.436 176.600 -0.032 0.000 1.415 162 E CA 1.401 57.790 56.400 -0.018 0.000 0.689 162 E CB -1.976 27.725 29.700 0.001 0.000 1.107 162 E HN -0.243 7.992 8.360 -0.042 0.100 0.350 163 M N -1.173 118.390 119.600 -0.062 0.000 3.432 163 M HA 0.190 4.642 4.480 -0.047 0.000 0.390 163 M C -0.881 175.364 176.300 -0.092 0.000 1.811 163 M CA -0.086 55.175 55.300 -0.066 0.000 0.536 163 M CB 0.810 33.370 32.600 -0.066 0.000 1.681 163 M HN -0.667 7.569 8.290 -0.091 0.000 0.462 164 Q N 0.925 120.681 119.800 -0.074 0.000 2.482 164 Q HA -0.139 4.122 4.340 -0.131 0.000 0.209 164 Q C -0.198 175.761 176.000 -0.069 0.000 0.961 164 Q CA 1.965 57.721 55.803 -0.079 0.000 0.945 164 Q CB -0.417 28.316 28.738 -0.008 0.000 1.012 164 Q HN 0.145 8.390 8.270 -0.041 0.000 0.515 165 V N -1.355 118.518 119.914 -0.067 0.000 3.623 165 V HA -0.088 3.995 4.120 -0.061 0.000 0.271 165 V C -0.196 175.832 176.094 -0.111 0.000 1.248 165 V CA 0.405 62.662 62.300 -0.071 0.000 1.156 165 V CB -0.182 31.609 31.823 -0.053 0.000 0.870 165 V HN -0.190 7.890 8.190 -0.062 0.073 0.453 166 L N -1.512 119.628 121.223 -0.139 0.000 2.316 166 L HA 0.032 4.238 4.340 -0.224 0.000 0.207 166 L C 1.219 177.943 176.870 -0.244 0.000 1.070 166 L CA 2.725 57.442 54.840 -0.204 0.000 0.820 166 L CB 0.687 42.629 42.059 -0.195 0.000 0.992 166 L HN -0.810 7.272 8.230 -0.125 0.073 0.466 167 V N -2.541 117.260 119.914 -0.189 0.000 2.439 167 V HA -0.459 3.539 4.120 -0.203 0.000 0.253 167 V C 1.707 177.696 176.094 -0.176 0.000 1.074 167 V CA 2.697 64.890 62.300 -0.178 0.000 1.076 167 V CB -1.832 29.915 31.823 -0.127 0.000 0.664 167 V HN -0.052 8.041 8.190 -0.161 0.000 0.461 168 S N 0.606 116.213 115.700 -0.155 0.000 2.383 168 S HA -0.285 4.125 4.470 -0.099 0.000 0.227 168 S C 2.259 176.743 174.600 -0.192 0.000 1.026 168 S CA 3.626 61.746 58.200 -0.132 0.000 0.981 168 S CB -0.447 62.695 63.200 -0.096 0.000 0.818 168 S HN 0.124 8.325 8.310 -0.143 0.023 0.472 169 R N 1.322 121.642 120.500 -0.301 0.000 2.075 169 R HA -0.151 3.983 4.340 -0.343 0.000 0.226 169 R C 2.247 178.112 176.300 -0.724 0.000 1.114 169 R CA 2.671 58.477 56.100 -0.488 0.000 0.972 169 R CB 0.050 29.991 30.300 -0.598 0.000 0.869 169 R HN -0.191 7.768 8.270 -0.289 0.137 0.437 170 I N 0.149 120.330 120.570 -0.648 0.000 2.208 170 I HA -0.512 3.152 4.170 -0.842 0.000 0.245 170 I C 1.414 177.325 176.117 -0.344 0.000 1.097 170 I CA 4.034 64.979 61.300 -0.591 0.000 1.363 170 I CB -0.176 37.573 38.000 -0.418 0.000 1.051 170 I HN 0.367 8.263 8.210 -0.522 0.000 0.413 171 A N -1.425 121.261 122.820 -0.223 0.000 1.933 171 A HA -0.304 3.972 4.320 -0.073 0.000 0.218 171 A C 1.509 179.072 177.584 -0.036 0.000 1.175 171 A CA 2.910 54.890 52.037 -0.094 0.000 0.628 171 A CB -0.880 18.089 19.000 -0.052 0.000 0.814 171 A HN -0.129 7.871 8.150 -0.237 0.008 0.444 172 A N -1.184 121.602 122.820 -0.058 0.000 1.898 172 A HA -0.187 4.166 4.320 0.056 0.000 0.216 172 A C 1.894 179.575 177.584 0.162 0.000 1.181 172 A CA 2.731 54.794 52.037 0.043 0.000 0.620 172 A CB -0.768 18.252 19.000 0.033 0.000 0.819 172 A HN -0.697 7.268 8.150 -0.142 0.100 0.442 173 W N -1.781 119.417 121.300 -0.171 0.000 2.338 173 W HA -0.164 4.416 4.660 -0.133 0.000 0.304 173 W C 2.719 179.169 176.519 -0.116 0.000 1.212 173 W CA 1.902 59.105 57.345 -0.238 0.000 1.264 173 W CB -1.218 27.895 29.460 -0.579 0.000 1.142 173 W HN 0.052 8.234 8.180 0.004 0.000 0.512 174 M N -2.051 117.625 119.600 0.128 0.000 2.175 174 M HA -0.484 4.409 4.480 0.689 0.000 0.264 174 M C 2.180 178.712 176.300 0.388 0.000 1.063 174 M CA 3.981 59.501 55.300 0.366 0.000 1.119 174 M CB -0.309 32.360 32.600 0.115 0.000 1.377 174 M HN -0.222 8.065 8.290 0.006 0.007 0.415 175 A N -1.211 121.749 122.820 0.233 0.000 1.877 175 A HA -0.307 4.146 4.320 0.222 0.000 0.216 175 A C 1.822 179.520 177.584 0.190 0.000 1.186 175 A CA 3.396 55.553 52.037 0.201 0.000 0.620 175 A CB -0.888 18.195 19.000 0.139 0.000 0.822 175 A HN -0.334 7.811 8.150 0.172 0.108 0.443 176 T N 0.395 115.056 114.554 0.177 0.000 2.708 176 T HA -0.336 4.068 4.350 0.089 0.000 0.266 176 T C 1.645 176.448 174.700 0.173 0.000 1.037 176 T CA 4.210 66.387 62.100 0.130 0.000 1.146 176 T CB -0.119 68.788 68.868 0.065 0.000 0.865 176 T HN -0.326 8.023 8.240 0.182 0.000 0.435 177 Y N 1.271 121.655 120.300 0.140 0.000 2.274 177 Y HA -0.311 4.335 4.550 0.159 0.000 0.290 177 Y C 0.665 176.609 175.900 0.074 0.000 1.145 177 Y CA 2.726 60.911 58.100 0.142 0.000 1.203 177 Y CB 0.466 39.051 38.460 0.208 0.000 0.984 177 Y HN -0.561 7.959 8.280 0.401 0.000 0.533 178 L N -2.663 118.653 121.223 0.156 0.000 2.179 178 L HA -0.336 3.992 4.340 -0.021 0.000 0.208 178 L C 0.685 177.607 176.870 0.086 0.000 1.096 178 L CA 2.292 57.189 54.840 0.095 0.000 0.779 178 L CB 0.256 42.454 42.059 0.231 0.000 0.922 178 L HN -0.182 8.101 8.230 0.283 0.116 0.443 179 N N -4.386 114.369 118.700 0.092 0.000 2.455 179 N HA 0.006 4.796 4.740 0.083 0.000 0.258 179 N C -1.419 174.098 175.510 0.011 0.000 1.158 179 N CA 0.717 53.809 53.050 0.070 0.000 0.893 179 N CB 0.058 38.597 38.487 0.087 0.000 1.173 179 N HN -0.483 7.868 8.380 0.115 0.098 0.503 180 D N -1.459 118.920 120.400 -0.034 0.000 3.941 180 D HA 0.129 4.715 4.640 -0.089 0.000 0.254 180 D C -1.693 174.506 176.300 -0.169 0.000 1.536 180 D CA 0.471 54.417 54.000 -0.090 0.000 0.788 180 D CB 0.081 40.841 40.800 -0.067 0.000 1.432 180 D HN -0.619 7.630 8.370 -0.043 0.095 0.733 181 H N -3.549 115.383 119.070 -0.229 0.000 1.807 181 H HA 0.035 4.491 4.556 -0.168 0.000 0.116 181 H C -1.422 173.813 175.328 -0.155 0.000 0.915 181 H CA 1.661 57.538 56.048 -0.284 0.000 0.423 181 H CB 1.342 30.666 29.762 -0.730 0.000 0.323 181 H HN 0.059 8.303 8.280 -0.060 0.000 0.218 182 L N 0.068 121.279 121.223 -0.019 0.000 2.500 182 L HA 0.235 4.604 4.340 0.047 0.000 0.219 182 L C 1.188 178.110 176.870 0.086 0.000 1.057 182 L CA 1.307 56.161 54.840 0.023 0.000 0.854 182 L CB 1.187 43.232 42.059 -0.024 0.000 1.078 182 L HN -0.493 7.690 8.230 -0.077 0.000 0.480 183 E N 1.611 121.854 120.200 0.071 0.000 2.070 183 E HA -0.223 4.194 4.350 0.112 0.000 0.197 183 E C -1.203 175.397 176.600 0.000 0.000 1.004 183 E CA 4.926 61.366 56.400 0.068 0.000 0.805 183 E CB -2.259 27.483 29.700 0.070 0.000 0.744 183 E HN 0.123 8.511 8.360 0.047 0.000 0.451 184 P HA -0.166 4.172 4.420 -0.136 0.000 0.218 184 P C 1.218 178.414 177.300 -0.174 0.000 1.148 184 P CA 2.651 65.668 63.100 -0.137 0.000 0.822 184 P CB -0.361 31.220 31.700 -0.199 0.000 0.784 185 W N -3.282 117.943 121.300 -0.125 0.000 2.444 185 W HA -0.213 4.354 4.660 -0.155 0.000 0.308 185 W C 2.599 179.003 176.519 -0.192 0.000 1.183 185 W CA 2.172 59.414 57.345 -0.172 0.000 1.340 185 W CB 0.360 29.684 29.460 -0.227 0.000 1.138 185 W HN -0.974 7.160 8.180 0.115 0.115 0.510 186 I N -0.119 120.513 120.570 0.102 0.000 2.236 186 I HA -0.685 3.496 4.170 0.019 0.000 0.249 186 I C 1.317 177.407 176.117 -0.045 0.000 1.102 186 I CA 4.376 65.689 61.300 0.022 0.000 1.365 186 I CB -0.044 37.961 38.000 0.008 0.000 1.051 186 I HN 0.649 8.827 8.210 0.127 0.108 0.420 187 Q N -1.937 117.809 119.800 -0.089 0.000 2.224 187 Q HA -0.303 3.927 4.340 -0.183 0.000 0.203 187 Q C 2.034 177.999 176.000 -0.058 0.000 0.970 187 Q CA 2.836 58.567 55.803 -0.120 0.000 0.865 187 Q CB 0.029 28.694 28.738 -0.122 0.000 0.922 187 Q HN -0.422 7.790 8.270 -0.065 0.019 0.445 188 E N -1.595 118.589 120.200 -0.027 0.000 2.349 188 E HA 0.011 4.346 4.350 -0.024 0.000 0.201 188 E C -0.597 176.062 176.600 0.098 0.000 1.087 188 E CA -0.047 56.350 56.400 -0.005 0.000 1.128 188 E CB -0.339 29.296 29.700 -0.109 0.000 1.188 188 E HN -0.339 7.856 8.360 -0.018 0.154 0.445 189 N N -0.890 117.882 118.700 0.120 0.000 2.381 189 N HA 0.146 4.996 4.740 0.183 0.000 0.257 189 N C -0.941 174.756 175.510 0.312 0.000 1.409 189 N CA -0.062 53.115 53.050 0.213 0.000 0.836 189 N CB 0.997 39.548 38.487 0.108 0.000 1.384 189 N HN -0.751 7.580 8.380 0.086 0.101 0.490 190 G N -1.233 107.661 108.800 0.157 0.000 2.198 190 G HA2 -0.382 3.612 3.960 0.057 0.000 0.257 190 G HA3 -0.382 3.657 3.960 0.131 0.000 0.257 190 G C 0.115 175.063 174.900 0.080 0.000 1.042 190 G CA 0.277 45.443 45.100 0.110 0.000 0.791 190 G HN -0.336 8.012 8.290 0.096 0.000 0.502 191 G N -1.082 107.721 108.800 0.006 0.000 2.622 191 G HA2 -0.420 3.381 3.960 -0.441 0.000 0.272 191 G HA3 -0.420 3.377 3.960 -0.273 0.000 0.272 191 G C 0.891 175.757 174.900 -0.057 0.000 1.308 191 G CA 0.025 44.992 45.100 -0.222 0.000 0.919 191 G HN -0.577 7.719 8.290 0.010 0.000 0.565 192 W N -0.782 120.620 121.300 0.170 0.000 2.467 192 W HA -0.155 4.564 4.660 0.097 0.000 0.275 192 W C 0.880 177.423 176.519 0.041 0.000 1.239 192 W CA 1.393 58.802 57.345 0.107 0.000 1.266 192 W CB -0.427 29.095 29.460 0.103 0.000 1.112 192 W HN 0.087 8.019 8.180 -0.414 0.000 0.576 193 D N -0.813 119.730 120.400 0.238 0.000 2.203 193 D HA -0.281 4.442 4.640 0.138 0.000 0.199 193 D C 1.895 178.197 176.300 0.004 0.000 0.997 193 D CA 3.539 57.610 54.000 0.119 0.000 0.863 193 D CB -0.388 40.466 40.800 0.090 0.000 0.928 193 D HN 0.100 8.594 8.370 0.244 0.022 0.458 194 T N 1.197 115.723 114.554 -0.047 0.000 2.857 194 T HA -0.259 4.008 4.350 -0.138 0.000 0.266 194 T C 1.366 175.806 174.700 -0.433 0.000 1.048 194 T CA 3.936 65.930 62.100 -0.176 0.000 1.139 194 T CB -0.284 68.549 68.868 -0.057 0.000 0.874 194 T HN -0.648 7.571 8.240 0.008 0.026 0.455 195 F N 3.111 122.624 119.950 -0.728 0.000 2.171 195 F HA -0.356 3.477 4.527 -1.157 0.000 0.300 195 F C 0.942 176.535 175.800 -0.344 0.000 1.090 195 F CA 3.527 61.056 58.000 -0.785 0.000 1.293 195 F CB -0.204 38.430 39.000 -0.610 0.000 1.013 195 F HN -0.323 7.673 8.300 -0.336 0.102 0.486 196 V N -0.794 118.983 119.914 -0.228 0.000 2.591 196 V HA -0.423 3.475 4.120 -0.369 0.000 0.249 196 V C 1.791 177.726 176.094 -0.266 0.000 1.053 196 V CA 3.754 65.916 62.300 -0.230 0.000 1.068 196 V CB -0.679 31.135 31.823 -0.015 0.000 0.689 196 V HN -0.297 7.866 8.190 -0.021 0.014 0.462 197 E N -0.908 119.143 120.200 -0.247 0.000 2.152 197 E HA -0.256 3.995 4.350 -0.164 0.000 0.192 197 E C 2.136 178.547 176.600 -0.314 0.000 0.983 197 E CA 2.678 58.946 56.400 -0.220 0.000 0.818 197 E CB 0.115 29.718 29.700 -0.162 0.000 0.758 197 E HN -0.637 7.501 8.360 -0.223 0.088 0.467 198 L N -2.208 118.704 121.223 -0.518 0.000 2.200 198 L HA -0.042 3.998 4.340 -0.499 0.000 0.200 198 L C 0.749 177.131 176.870 -0.813 0.000 1.072 198 L CA 1.897 56.290 54.840 -0.744 0.000 0.787 198 L CB 1.784 43.180 42.059 -1.105 0.000 0.957 198 L HN -0.410 7.459 8.230 -0.568 0.020 0.459 199 Y N -2.640 117.359 120.300 -0.502 0.000 2.638 199 Y HA 0.190 4.541 4.550 -0.331 0.000 0.367 199 Y C -0.259 175.298 175.900 -0.571 0.000 1.001 199 Y CA -2.024 55.754 58.100 -0.537 0.000 1.133 199 Y CB -1.085 36.964 38.460 -0.684 0.000 1.199 199 Y HN -0.227 7.388 8.280 -0.915 0.115 0.642 200 G N 0.000 108.652 108.800 -0.246 0.000 5.446 200 G HA2 0.000 nan 3.960 nan 0.000 0.244 200 G HA3 0.000 3.937 3.960 -0.149 -0.066 0.244 200 G CA 0.000 44.994 45.100 -0.177 0.000 0.502 200 G HN 0.000 8.162 8.290 -0.213 0.000 0.925