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 1osj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVAVLPGDG IGPEVTEAAL KVLRALDEAE GLGLAYEVFP FGGAAIDAFG DATA SEQUENCE EPFPEPTRKG VEEAEAVLLG SVGGPKWDGL PRKIRPETGL LSLRKSQDLF DATA SEQUENCE ANLRPAKVFP GLERLSPLKE EIARGVDVLI VRELTGGIYF GEPRGMSEAE DATA SEQUENCE AWNTERYSKP EVERVARVAF ELARKRRKHV VSVDKANVLE VGEFWRKTVE DATA SEQUENCE EVGRGYPDVA LEHQYVDAMA MHLVRSPARF DVVVTGNIFG DILSDLASVL DATA SEQUENCE PGSLGLLPSA SLGRGTPVFE PVHGSAPDIA GKGIANPTAA ILSAAMMLEH DATA SEQUENCE AFGLVELARK VEDAVAKALL ETPPPDLGGS AGTEAFTATV LRHLA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.267 176.300 -0.055 0.000 1.140 1 M CA 0.000 55.170 55.300 -0.217 0.000 0.988 1 M CB 0.000 32.091 32.600 -0.849 0.000 1.302 2 K N 3.965 124.423 120.400 0.098 0.000 2.267 2 K HA 0.524 nan 4.320 nan 0.000 0.282 2 K C -1.105 175.630 176.600 0.225 0.000 1.078 2 K CA -0.404 55.972 56.287 0.148 0.000 0.903 2 K CB 0.701 33.285 32.500 0.141 0.000 1.111 2 K HN 0.216 8.871 8.250 0.159 -0.309 0.475 3 V N 5.475 125.526 119.914 0.229 0.000 2.459 3 V HA 0.651 nan 4.120 nan 0.000 0.295 3 V C -1.613 174.651 176.094 0.283 0.000 1.029 3 V CA -1.805 60.647 62.300 0.252 0.000 0.874 3 V CB 2.436 34.371 31.823 0.186 0.000 0.985 3 V HN 0.581 8.906 8.190 0.224 0.000 0.438 4 A N 7.118 130.088 122.820 0.251 0.000 2.260 4 A HA 0.713 nan 4.320 nan 0.000 0.308 4 A C -1.686 176.058 177.584 0.267 0.000 1.254 4 A CA -1.568 50.661 52.037 0.321 0.000 0.874 4 A CB 1.149 20.228 19.000 0.132 0.000 1.153 4 A HN 0.749 9.023 8.150 0.207 0.000 0.527 5 V N 4.604 124.717 119.914 0.332 0.000 2.394 5 V HA 0.530 nan 4.120 nan 0.000 0.282 5 V C -1.424 174.803 176.094 0.222 0.000 1.031 5 V CA -0.567 61.856 62.300 0.204 0.000 0.881 5 V CB 0.973 32.892 31.823 0.161 0.000 0.982 5 V HN 0.883 9.336 8.190 0.439 0.000 0.451 6 L N 7.094 128.386 121.223 0.115 0.000 2.457 6 L HA 0.620 nan 4.340 nan 0.000 0.252 6 L C -2.060 174.869 176.870 0.098 0.000 1.132 6 L CA -2.856 52.045 54.840 0.101 0.000 0.938 6 L CB -0.578 41.405 42.059 -0.127 0.000 1.246 6 L HN 0.695 8.962 8.230 0.062 0.000 0.476 7 P HA -0.181 nan 4.420 nan 0.000 0.216 7 P C -0.354 177.031 177.300 0.142 0.000 1.153 7 P CA 1.469 64.640 63.100 0.119 0.000 0.858 7 P CB 0.444 32.214 31.700 0.117 0.000 0.789 8 G N -3.898 105.010 108.800 0.180 0.000 2.512 8 G HA2 -0.450 nan 3.960 nan 0.000 0.240 8 G HA3 -0.450 nan 3.960 nan 0.000 0.240 8 G C -1.573 173.393 174.900 0.109 0.000 1.246 8 G CA -0.385 44.818 45.100 0.171 0.000 0.919 8 G HN -0.464 7.944 8.290 0.198 0.000 0.577 9 D N 3.139 123.590 120.400 0.084 0.000 2.440 9 D HA 0.259 nan 4.640 nan 0.000 0.258 9 D C 0.658 177.044 176.300 0.143 0.000 1.092 9 D CA -0.790 53.278 54.000 0.112 0.000 1.016 9 D CB 1.371 42.216 40.800 0.074 0.000 1.141 9 D HN 0.225 8.541 8.370 0.081 0.102 0.552 10 G N 0.776 109.677 108.800 0.168 0.000 2.629 10 G HA2 -0.366 nan 3.960 nan 0.000 0.313 10 G HA3 -0.366 nan 3.960 nan 0.000 0.313 10 G C 1.075 176.035 174.900 0.100 0.000 1.217 10 G CA 1.551 46.728 45.100 0.130 0.000 0.994 10 G HN 0.138 8.556 8.290 0.213 0.000 0.549 11 I N -1.622 118.999 120.570 0.085 0.000 3.428 11 I HA 0.100 nan 4.170 nan 0.000 0.286 11 I C 1.464 177.644 176.117 0.106 0.000 1.287 11 I CA 0.485 61.825 61.300 0.067 0.000 1.396 11 I CB -0.586 37.417 38.000 0.005 0.000 1.062 11 I HN 0.201 8.352 8.210 0.085 0.110 0.471 12 G N 1.848 110.729 108.800 0.136 0.000 2.529 12 G HA2 -0.277 nan 3.960 nan 0.000 0.219 12 G HA3 -0.277 nan 3.960 nan 0.000 0.219 12 G C -1.543 173.424 174.900 0.112 0.000 1.177 12 G CA 3.463 48.647 45.100 0.141 0.000 0.773 12 G HN 0.393 8.703 8.290 0.136 0.061 0.573 13 P HA -0.195 nan 4.420 nan 0.000 0.216 13 P C 1.842 179.188 177.300 0.076 0.000 1.153 13 P CA 3.032 66.185 63.100 0.088 0.000 0.848 13 P CB -0.196 31.557 31.700 0.088 0.000 0.787 14 E N -1.985 118.259 120.200 0.072 0.000 2.031 14 E HA -0.298 nan 4.350 nan 0.000 0.193 14 E C 2.579 179.218 176.600 0.065 0.000 0.994 14 E CA 3.326 59.762 56.400 0.060 0.000 0.800 14 E CB -0.227 29.502 29.700 0.048 0.000 0.752 14 E HN -0.587 7.738 8.360 0.076 0.080 0.447 15 V N -4.480 115.481 119.914 0.080 0.000 2.358 15 V HA -0.295 nan 4.120 nan 0.000 0.246 15 V C 1.987 178.129 176.094 0.080 0.000 1.047 15 V CA 4.288 66.645 62.300 0.095 0.000 1.035 15 V CB -1.194 30.725 31.823 0.160 0.000 0.658 15 V HN 0.191 8.433 8.190 0.087 0.000 0.452 16 T N 2.911 117.509 114.554 0.073 0.000 2.746 16 T HA -0.323 nan 4.350 nan 0.000 0.267 16 T C 1.740 176.452 174.700 0.019 0.000 1.039 16 T CA 5.003 67.129 62.100 0.043 0.000 1.142 16 T CB -0.808 68.089 68.868 0.049 0.000 0.866 16 T HN 0.268 8.559 8.240 0.085 0.000 0.444 17 E N 1.513 121.734 120.200 0.035 0.000 2.110 17 E HA -0.311 nan 4.350 nan 0.000 0.193 17 E C 1.505 178.119 176.600 0.023 0.000 0.988 17 E CA 2.434 58.851 56.400 0.028 0.000 0.804 17 E CB -0.677 29.050 29.700 0.046 0.000 0.745 17 E HN -0.204 8.186 8.360 0.051 0.000 0.458 18 A N -1.114 121.731 122.820 0.042 0.000 1.877 18 A HA -0.267 nan 4.320 nan 0.000 0.216 18 A C 2.040 179.645 177.584 0.034 0.000 1.186 18 A CA 3.053 55.123 52.037 0.054 0.000 0.620 18 A CB -0.988 18.065 19.000 0.087 0.000 0.822 18 A HN -0.576 7.509 8.150 0.051 0.096 0.443 19 A N -1.662 121.172 122.820 0.024 0.000 1.940 19 A HA -0.295 nan 4.320 nan 0.000 0.219 19 A C 2.136 179.689 177.584 -0.052 0.000 1.176 19 A CA 2.913 54.949 52.037 -0.002 0.000 0.631 19 A CB -0.769 18.230 19.000 -0.003 0.000 0.814 19 A HN -0.351 7.820 8.150 0.035 0.000 0.446 20 L N -2.853 118.319 121.223 -0.084 0.000 2.141 20 L HA -0.443 nan 4.340 nan 0.000 0.209 20 L C 2.308 179.130 176.870 -0.080 0.000 1.094 20 L CA 2.846 57.591 54.840 -0.159 0.000 0.763 20 L CB -0.450 41.468 42.059 -0.235 0.000 0.908 20 L HN 0.094 8.196 8.230 -0.060 0.091 0.437 21 K N -0.228 120.156 120.400 -0.027 0.000 2.097 21 K HA -0.327 nan 4.320 nan 0.000 0.205 21 K C 2.512 179.105 176.600 -0.012 0.000 1.050 21 K CA 3.557 59.841 56.287 -0.004 0.000 0.938 21 K CB -0.328 32.179 32.500 0.011 0.000 0.718 21 K HN -0.402 7.745 8.250 -0.017 0.093 0.442 22 V N 0.928 120.832 119.914 -0.017 0.000 2.307 22 V HA -0.307 nan 4.120 nan 0.000 0.245 22 V C 2.138 178.212 176.094 -0.034 0.000 1.045 22 V CA 4.385 66.673 62.300 -0.020 0.000 1.024 22 V CB -0.866 30.949 31.823 -0.012 0.000 0.651 22 V HN -0.612 7.560 8.190 -0.014 0.009 0.449 23 L N -0.733 120.457 121.223 -0.054 0.000 2.012 23 L HA -0.373 nan 4.340 nan 0.000 0.210 23 L C 2.137 178.980 176.870 -0.045 0.000 1.073 23 L CA 2.912 57.710 54.840 -0.069 0.000 0.748 23 L CB -1.204 40.784 42.059 -0.118 0.000 0.891 23 L HN -0.203 7.991 8.230 -0.061 0.000 0.431 24 R N -2.168 118.317 120.500 -0.025 0.000 2.096 24 R HA -0.411 nan 4.340 nan 0.000 0.235 24 R C 2.172 178.472 176.300 0.000 0.000 1.127 24 R CA 3.711 59.818 56.100 0.012 0.000 0.968 24 R CB -0.388 29.937 30.300 0.042 0.000 0.861 24 R HN 0.300 8.547 8.270 -0.038 0.000 0.440 25 A N 0.242 123.056 122.820 -0.009 0.000 1.898 25 A HA -0.175 nan 4.320 nan 0.000 0.216 25 A C 2.202 179.774 177.584 -0.019 0.000 1.181 25 A CA 3.050 55.080 52.037 -0.013 0.000 0.620 25 A CB -0.832 18.158 19.000 -0.016 0.000 0.819 25 A HN -0.199 7.858 8.150 -0.012 0.086 0.442 26 L N -2.498 118.710 121.223 -0.026 0.000 2.141 26 L HA -0.431 nan 4.340 nan 0.000 0.209 26 L C 1.973 178.823 176.870 -0.033 0.000 1.094 26 L CA 2.787 57.609 54.840 -0.031 0.000 0.763 26 L CB -0.631 41.404 42.059 -0.039 0.000 0.908 26 L HN 0.023 8.236 8.230 -0.028 0.000 0.437 27 D N -0.174 120.207 120.400 -0.032 0.000 2.097 27 D HA -0.287 nan 4.640 nan 0.000 0.197 27 D C 2.268 178.556 176.300 -0.020 0.000 0.984 27 D CA 3.637 57.619 54.000 -0.030 0.000 0.826 27 D CB -0.020 40.769 40.800 -0.017 0.000 0.973 27 D HN 0.035 8.281 8.370 -0.029 0.107 0.460 28 E N -0.608 119.585 120.200 -0.012 0.000 2.077 28 E HA -0.323 nan 4.350 nan 0.000 0.193 28 E C 2.085 178.677 176.600 -0.013 0.000 0.989 28 E CA 2.310 58.704 56.400 -0.010 0.000 0.800 28 E CB -0.040 29.657 29.700 -0.006 0.000 0.746 28 E HN -0.284 8.070 8.360 -0.010 0.000 0.452 29 A N -0.732 122.078 122.820 -0.016 0.000 1.855 29 A HA -0.163 nan 4.320 nan 0.000 0.215 29 A C 1.750 179.323 177.584 -0.017 0.000 1.191 29 A CA 2.370 54.397 52.037 -0.017 0.000 0.613 29 A CB 0.226 19.215 19.000 -0.018 0.000 0.829 29 A HN -0.222 7.918 8.150 -0.017 0.000 0.442 30 E N -3.499 116.689 120.200 -0.021 0.000 2.474 30 E HA 0.067 nan 4.350 nan 0.000 0.195 30 E C 0.544 177.130 176.600 -0.023 0.000 1.039 30 E CA -1.196 55.191 56.400 -0.021 0.000 0.881 30 E CB 0.025 29.710 29.700 -0.024 0.000 0.970 30 E HN -0.028 8.205 8.360 -0.024 0.113 0.486 31 G N 0.202 108.988 108.800 -0.023 0.000 2.367 31 G HA2 -0.352 nan 3.960 nan 0.000 0.295 31 G HA3 -0.352 nan 3.960 nan 0.000 0.295 31 G C -0.156 174.725 174.900 -0.032 0.000 1.019 31 G CA 0.747 45.833 45.100 -0.023 0.000 1.224 31 G HN -0.095 8.132 8.290 -0.022 0.050 0.510 32 L N -0.147 121.049 121.223 -0.045 0.000 2.418 32 L HA 0.069 nan 4.340 nan 0.000 0.218 32 L C 1.333 178.156 176.870 -0.078 0.000 1.125 32 L CA -0.166 54.631 54.840 -0.071 0.000 0.835 32 L CB 0.135 42.135 42.059 -0.099 0.000 0.953 32 L HN -0.462 7.832 8.230 -0.041 -0.090 0.454 33 G N -1.633 107.135 108.800 -0.053 0.000 2.246 33 G HA2 -0.427 nan 3.960 nan 0.000 0.273 33 G HA3 -0.427 nan 3.960 nan 0.000 0.273 33 G C -0.836 174.031 174.900 -0.056 0.000 1.055 33 G CA 0.100 45.173 45.100 -0.044 0.000 0.851 33 G HN -0.450 7.931 8.290 -0.041 -0.115 0.500 34 L N -0.986 120.205 121.223 -0.052 0.000 2.439 34 L HA 0.076 nan 4.340 nan 0.000 0.269 34 L C -1.457 175.434 176.870 0.035 0.000 1.179 34 L CA 0.686 55.506 54.840 -0.034 0.000 0.828 34 L CB 0.889 42.943 42.059 -0.009 0.000 1.106 34 L HN -0.630 7.891 8.230 -0.044 -0.317 0.467 35 A N 5.036 127.901 122.820 0.076 0.000 2.517 35 A HA 0.381 nan 4.320 nan 0.000 0.297 35 A C -3.162 174.528 177.584 0.177 0.000 1.050 35 A CA -0.200 51.877 52.037 0.067 0.000 0.694 35 A CB 3.163 22.178 19.000 0.025 0.000 1.277 35 A HN 0.425 8.617 8.150 0.071 0.000 0.400 36 Y N -2.709 117.605 120.300 0.023 0.000 2.624 36 Y HA 0.893 nan 4.550 nan 0.000 0.334 36 Y C -2.227 173.692 175.900 0.031 0.000 1.155 36 Y CA -1.440 56.691 58.100 0.052 0.000 1.046 36 Y CB 2.643 41.130 38.460 0.046 0.000 1.316 36 Y HN 0.122 8.253 8.280 -0.248 0.000 0.457 37 E N -0.586 119.729 120.200 0.191 0.000 2.314 37 E HA 0.327 nan 4.350 nan 0.000 0.272 37 E C -2.212 174.364 176.600 -0.041 0.000 0.884 37 E CA -1.483 54.874 56.400 -0.072 0.000 0.753 37 E CB 4.462 34.027 29.700 -0.225 0.000 1.213 37 E HN 0.091 8.673 8.360 0.370 0.000 0.432 38 V N 0.086 119.895 119.914 -0.176 0.000 2.472 38 V HA 0.767 nan 4.120 nan 0.000 0.290 38 V C -1.697 174.202 176.094 -0.324 0.000 1.037 38 V CA -1.709 60.557 62.300 -0.056 0.000 0.908 38 V CB 0.693 32.564 31.823 0.080 0.000 0.985 38 V HN 0.154 8.215 8.190 -0.215 0.000 0.454 39 F N 6.929 126.946 119.950 0.112 0.000 2.561 39 F HA 0.466 nan 4.527 nan 0.000 0.321 39 F C -2.111 173.782 175.800 0.154 0.000 1.065 39 F CA -2.985 55.082 58.000 0.112 0.000 0.934 39 F CB 1.990 41.042 39.000 0.087 0.000 1.215 39 F HN 0.727 9.248 8.300 0.370 0.000 0.471 40 P HA 0.039 nan 4.420 nan 0.000 0.271 40 P C -2.117 175.412 177.300 0.380 0.000 1.216 40 P CA -0.132 63.158 63.100 0.318 0.000 0.771 40 P CB 0.490 32.415 31.700 0.375 0.000 0.864 41 F N 2.127 122.142 119.950 0.109 0.000 2.678 41 F HA 0.216 nan 4.527 nan 0.000 0.308 41 F C -0.257 175.523 175.800 -0.033 0.000 1.118 41 F CA -0.884 57.155 58.000 0.065 0.000 0.959 41 F CB 3.727 42.768 39.000 0.068 0.000 1.305 41 F HN -0.316 8.150 8.300 0.276 0.000 0.443 42 G N 5.258 113.577 108.800 -0.803 0.000 2.552 42 G HA2 -0.437 nan 3.960 nan 0.000 0.265 42 G HA3 -0.437 nan 3.960 nan 0.000 0.265 42 G C -0.170 174.349 174.900 -0.634 0.000 1.234 42 G CA 0.129 44.821 45.100 -0.681 0.000 0.944 42 G HN 0.110 7.562 8.290 -1.396 0.000 0.568 43 G N 1.329 109.525 108.800 -1.007 0.000 2.469 43 G HA2 -0.417 nan 3.960 nan 0.000 0.220 43 G HA3 -0.417 nan 3.960 nan 0.000 0.220 43 G C 0.678 175.206 174.900 -0.619 0.000 1.136 43 G CA 1.827 45.869 45.100 -1.763 0.000 0.759 43 G HN -0.168 7.889 8.290 -0.943 -0.332 0.562 44 A N 1.307 123.954 122.820 -0.288 0.000 1.940 44 A HA -0.210 nan 4.320 nan 0.000 0.219 44 A C 1.211 178.840 177.584 0.075 0.000 1.176 44 A CA 2.689 54.733 52.037 0.012 0.000 0.631 44 A CB -0.667 18.376 19.000 0.071 0.000 0.814 44 A HN -0.084 8.124 8.150 -0.341 -0.263 0.446 45 A N -2.519 120.325 122.820 0.040 0.000 1.975 45 A HA -0.130 nan 4.320 nan 0.000 0.215 45 A C 1.727 179.424 177.584 0.190 0.000 1.170 45 A CA 2.029 54.195 52.037 0.214 0.000 0.656 45 A CB 0.227 19.308 19.000 0.135 0.000 0.821 45 A HN -0.468 7.506 8.150 -0.089 0.123 0.449 46 I N -1.091 119.473 120.570 -0.010 0.000 2.226 46 I HA -0.568 nan 4.170 nan 0.000 0.245 46 I C 1.618 177.805 176.117 0.117 0.000 1.100 46 I CA 4.049 65.363 61.300 0.024 0.000 1.374 46 I CB -0.246 37.693 38.000 -0.102 0.000 1.057 46 I HN -0.067 7.950 8.210 -0.169 0.092 0.413 47 D N 0.207 120.698 120.400 0.152 0.000 2.355 47 D HA -0.108 nan 4.640 nan 0.000 0.253 47 D C -0.451 175.871 176.300 0.036 0.000 1.187 47 D CA 2.205 56.297 54.000 0.153 0.000 0.900 47 D CB -1.110 39.824 40.800 0.223 0.000 0.915 47 D HN -0.169 8.278 8.370 0.127 0.000 0.516 48 A N -4.635 118.168 122.820 -0.028 0.000 2.599 48 A HA 0.174 nan 4.320 nan 0.000 0.162 48 A C -0.723 176.491 177.584 -0.617 0.000 1.654 48 A CA 0.485 52.331 52.037 -0.317 0.000 1.214 48 A CB 1.194 19.960 19.000 -0.390 0.000 1.505 48 A HN -0.789 7.268 8.150 0.055 0.126 0.481 49 F N -3.478 116.490 119.950 0.030 0.000 2.915 49 F HA 0.311 nan 4.527 nan 0.000 0.347 49 F C 0.633 176.442 175.800 0.014 0.000 1.104 49 F CA 0.264 58.276 58.000 0.020 0.000 1.126 49 F CB 1.716 40.726 39.000 0.016 0.000 1.145 49 F HN 0.300 8.693 8.300 0.155 0.000 0.541 50 G N -0.916 107.980 108.800 0.159 0.000 2.212 50 G HA2 -0.403 nan 3.960 nan 0.000 0.266 50 G HA3 -0.403 nan 3.960 nan 0.000 0.266 50 G C -1.385 173.568 174.900 0.088 0.000 0.978 50 G CA 0.578 45.742 45.100 0.107 0.000 0.632 50 G HN -0.021 8.261 8.290 0.131 0.086 0.537 51 E N -1.021 119.240 120.200 0.101 0.000 2.331 51 E HA 0.240 nan 4.350 nan 0.000 0.275 51 E C -2.365 174.231 176.600 -0.006 0.000 0.895 51 E CA -3.506 52.915 56.400 0.035 0.000 0.753 51 E CB 1.379 31.098 29.700 0.032 0.000 1.216 51 E HN -0.404 7.970 8.360 0.176 0.092 0.434 52 P HA -0.131 nan 4.420 nan 0.000 0.218 52 P C -2.091 175.109 177.300 -0.166 0.000 1.148 52 P CA 1.821 64.771 63.100 -0.250 0.000 0.822 52 P CB 0.439 31.930 31.700 -0.349 0.000 0.784 53 F N -2.444 117.399 119.950 -0.178 0.000 2.550 53 F HA 0.454 nan 4.527 nan 0.000 0.348 53 F C -3.380 172.385 175.800 -0.059 0.000 1.219 53 F CA -5.654 52.333 58.000 -0.022 0.000 1.203 53 F CB 0.354 39.396 39.000 0.069 0.000 1.436 53 F HN -0.590 7.762 8.300 0.087 0.000 0.541 54 P HA 0.080 nan 4.420 nan 0.000 0.274 54 P C 0.344 177.336 177.300 -0.513 0.000 1.246 54 P CA -0.534 62.331 63.100 -0.393 0.000 0.795 54 P CB 1.149 32.446 31.700 -0.671 0.000 1.006 55 E N 1.305 121.270 120.200 -0.392 0.000 2.070 55 E HA -0.278 nan 4.350 nan 0.000 0.197 55 E C 0.175 176.590 176.600 -0.309 0.000 1.004 55 E CA 5.320 61.520 56.400 -0.333 0.000 0.805 55 E CB -2.139 27.444 29.700 -0.195 0.000 0.744 55 E HN 0.743 8.918 8.360 -0.309 0.000 0.451 56 P HA -0.159 nan 4.420 nan 0.000 0.216 56 P C 1.652 178.855 177.300 -0.162 0.000 1.150 56 P CA 2.996 66.015 63.100 -0.136 0.000 0.837 56 P CB -0.583 31.068 31.700 -0.082 0.000 0.786 57 T N 1.285 115.690 114.554 -0.249 0.000 2.812 57 T HA -0.147 nan 4.350 nan 0.000 0.264 57 T C 2.171 176.624 174.700 -0.411 0.000 1.042 57 T CA 4.528 66.457 62.100 -0.285 0.000 1.140 57 T CB -0.506 68.367 68.868 0.008 0.000 0.870 57 T HN -0.509 7.531 8.240 -0.317 0.010 0.445 58 R N 1.625 121.756 120.500 -0.614 0.000 2.094 58 R HA -0.441 nan 4.340 nan 0.000 0.239 58 R C 2.299 178.432 176.300 -0.278 0.000 1.137 58 R CA 3.925 59.681 56.100 -0.574 0.000 0.943 58 R CB -0.331 29.576 30.300 -0.655 0.000 0.850 58 R HN -0.093 7.684 8.270 -0.698 0.074 0.433 59 K N -2.031 118.208 120.400 -0.267 0.000 2.147 59 K HA -0.284 nan 4.320 nan 0.000 0.205 59 K C 2.606 179.075 176.600 -0.218 0.000 1.049 59 K CA 2.760 58.940 56.287 -0.179 0.000 0.936 59 K CB -0.488 31.941 32.500 -0.120 0.000 0.722 59 K HN 0.002 8.076 8.250 -0.294 0.000 0.446 60 G N -1.236 107.300 108.800 -0.439 0.000 2.404 60 G HA2 -0.181 nan 3.960 nan 0.000 0.215 60 G HA3 -0.181 nan 3.960 nan 0.000 0.215 60 G C 1.215 175.833 174.900 -0.471 0.000 1.174 60 G CA 1.927 46.583 45.100 -0.741 0.000 0.780 60 G HN -0.480 7.394 8.290 -0.488 0.123 0.537 61 V N 0.118 119.805 119.914 -0.378 0.000 2.427 61 V HA -0.233 nan 4.120 nan 0.000 0.248 61 V C 1.766 177.810 176.094 -0.083 0.000 1.051 61 V CA 2.712 64.913 62.300 -0.165 0.000 1.048 61 V CB -0.712 31.071 31.823 -0.067 0.000 0.666 61 V HN 0.141 8.086 8.190 -0.409 0.000 0.456 62 E N -0.863 119.289 120.200 -0.080 0.000 2.418 62 E HA -0.181 nan 4.350 nan 0.000 0.197 62 E C 1.060 177.645 176.600 -0.026 0.000 1.026 62 E CA 2.298 58.673 56.400 -0.041 0.000 0.862 62 E CB -0.671 29.007 29.700 -0.037 0.000 0.799 62 E HN 0.241 8.520 8.360 -0.115 0.011 0.518 63 E N -2.337 117.844 120.200 -0.032 0.000 2.389 63 E HA 0.002 nan 4.350 nan 0.000 0.199 63 E C -0.710 175.915 176.600 0.041 0.000 0.978 63 E CA -0.274 56.130 56.400 0.007 0.000 0.912 63 E CB 0.808 30.516 29.700 0.013 0.000 0.907 63 E HN -0.678 7.472 8.360 -0.070 0.168 0.494 64 A N -1.503 121.343 122.820 0.043 0.000 2.287 64 A HA -0.027 nan 4.320 nan 0.000 0.273 64 A C -0.561 177.086 177.584 0.105 0.000 1.091 64 A CA -0.610 51.487 52.037 0.100 0.000 0.817 64 A CB 0.712 19.784 19.000 0.121 0.000 1.069 64 A HN -0.737 7.414 8.150 0.002 0.000 0.492 65 E N -2.229 118.076 120.200 0.175 0.000 2.442 65 E HA -0.045 nan 4.350 nan 0.000 0.195 65 E C -0.656 176.009 176.600 0.107 0.000 1.030 65 E CA 1.011 57.509 56.400 0.163 0.000 0.869 65 E CB 0.761 30.650 29.700 0.315 0.000 0.857 65 E HN 0.261 8.644 8.360 0.224 0.111 0.505 66 A N -2.842 120.093 122.820 0.192 0.000 2.594 66 A HA 0.318 nan 4.320 nan 0.000 0.296 66 A C -2.548 175.169 177.584 0.222 0.000 1.056 66 A CA -0.013 52.156 52.037 0.220 0.000 0.693 66 A CB 3.301 22.465 19.000 0.274 0.000 1.278 66 A HN -0.698 7.534 8.150 0.219 0.049 0.408 67 V N 0.842 120.874 119.914 0.197 0.000 2.459 67 V HA 0.719 nan 4.120 nan 0.000 0.295 67 V C -1.441 174.768 176.094 0.191 0.000 1.029 67 V CA -1.082 61.289 62.300 0.118 0.000 0.874 67 V CB 2.396 34.194 31.823 -0.041 0.000 0.985 67 V HN 0.611 8.919 8.190 0.197 0.000 0.438 68 L N 6.839 128.140 121.223 0.130 0.000 2.313 68 L HA 0.735 nan 4.340 nan 0.000 0.273 68 L C -1.982 174.911 176.870 0.039 0.000 1.028 68 L CA -1.184 53.720 54.840 0.108 0.000 0.871 68 L CB 1.049 43.141 42.059 0.056 0.000 1.242 68 L HN 0.656 8.953 8.230 0.112 0.000 0.434 69 L N 5.089 126.315 121.223 0.004 0.000 2.343 69 L HA 0.605 nan 4.340 nan 0.000 0.275 69 L C -1.152 175.716 176.870 -0.002 0.000 1.056 69 L CA -1.451 53.359 54.840 -0.050 0.000 0.804 69 L CB 2.573 44.548 42.059 -0.141 0.000 1.203 69 L HN 0.387 8.636 8.230 0.033 0.000 0.440 70 G N 4.503 113.320 108.800 0.029 0.000 3.387 70 G HA2 0.371 nan 3.960 nan 0.000 0.195 70 G HA3 0.371 nan 3.960 nan 0.000 0.195 70 G C -1.257 173.676 174.900 0.056 0.000 1.853 70 G CA -0.525 44.608 45.100 0.054 0.000 0.879 70 G HN 0.525 8.838 8.290 0.039 0.000 0.651 71 S N -0.302 115.465 115.700 0.112 0.000 2.607 71 S HA 0.323 nan 4.470 nan 0.000 0.303 71 S C -1.868 172.805 174.600 0.122 0.000 1.086 71 S CA -0.482 57.791 58.200 0.122 0.000 0.995 71 S CB 2.257 65.570 63.200 0.189 0.000 1.084 71 S HN -0.064 8.322 8.310 0.127 0.000 0.507 72 V N 0.271 120.243 119.914 0.096 0.000 2.841 72 V HA 0.651 nan 4.120 nan 0.000 0.310 72 V C -1.137 174.975 176.094 0.029 0.000 1.090 72 V CA -0.627 61.697 62.300 0.041 0.000 0.930 72 V CB 3.501 35.353 31.823 0.047 0.000 1.014 72 V HN 0.441 8.686 8.190 0.092 0.000 0.425 73 G N 4.306 113.100 108.800 -0.010 0.000 2.484 73 G HA2 -0.098 nan 3.960 nan 0.000 0.685 73 G HA3 -0.098 nan 3.960 nan 0.000 0.685 73 G C -2.084 172.982 174.900 0.276 0.000 1.294 73 G CA 0.049 45.205 45.100 0.094 0.000 0.879 73 G HN 0.645 9.231 8.290 -0.118 -0.367 0.646 74 G N -2.135 106.915 108.800 0.417 0.000 2.429 74 G HA2 0.147 nan 3.960 nan 0.000 0.300 74 G HA3 0.147 nan 3.960 nan 0.000 0.300 74 G C -2.655 172.389 174.900 0.241 0.000 1.598 74 G CA -0.058 45.298 45.100 0.426 0.000 0.863 74 G HN -0.181 8.323 8.290 0.358 0.000 0.614 75 P HA -0.231 nan 4.420 nan 0.000 0.218 75 P C 1.183 178.378 177.300 -0.175 0.000 1.148 75 P CA 1.366 64.441 63.100 -0.042 0.000 0.822 75 P CB 0.519 32.182 31.700 -0.061 0.000 0.784 76 K N -2.450 117.673 120.400 -0.462 0.000 2.281 76 K HA -0.190 nan 4.320 nan 0.000 0.203 76 K C 0.259 176.359 176.600 -0.834 0.000 1.046 76 K CA 2.212 57.991 56.287 -0.847 0.000 0.938 76 K CB -0.234 31.367 32.500 -1.497 0.000 0.737 76 K HN 0.254 8.199 8.250 -0.462 0.028 0.458 77 W N -5.679 115.619 121.300 -0.004 0.000 2.714 77 W HA 0.290 nan 4.660 nan 0.000 0.353 77 W C 0.394 176.907 176.519 -0.011 0.000 0.999 77 W CA -0.497 56.843 57.345 -0.007 0.000 1.629 77 W CB 0.638 30.092 29.460 -0.011 0.000 1.106 77 W HN -0.421 7.704 8.180 -0.002 0.053 0.545 78 D N 2.154 122.646 120.400 0.152 0.000 2.172 78 D HA -0.290 nan 4.640 nan 0.000 0.196 78 D C 1.763 178.099 176.300 0.061 0.000 0.999 78 D CA 3.981 58.036 54.000 0.092 0.000 0.856 78 D CB -0.263 40.565 40.800 0.046 0.000 0.934 78 D HN -0.482 7.835 8.370 0.101 0.113 0.453 79 G N -2.594 106.231 108.800 0.042 0.000 2.448 79 G HA2 -0.138 nan 3.960 nan 0.000 0.218 79 G HA3 -0.138 nan 3.960 nan 0.000 0.218 79 G C 0.434 175.359 174.900 0.042 0.000 1.135 79 G CA -0.039 45.077 45.100 0.027 0.000 0.784 79 G HN 0.161 8.448 8.290 0.029 0.020 0.543 80 L N 1.862 123.129 121.223 0.074 0.000 2.529 80 L HA -0.153 nan 4.340 nan 0.000 0.287 80 L C -2.379 174.522 176.870 0.052 0.000 1.241 80 L CA -0.775 54.112 54.840 0.077 0.000 0.857 80 L CB -0.746 41.389 42.059 0.127 0.000 1.113 80 L HN -0.747 7.440 8.230 0.102 0.104 0.504 81 P HA 0.070 nan 4.420 nan 0.000 0.268 81 P C 0.424 177.737 177.300 0.022 0.000 1.205 81 P CA -0.344 62.771 63.100 0.025 0.000 0.771 81 P CB 0.643 32.356 31.700 0.022 0.000 0.858 82 R N 5.251 125.759 120.500 0.013 0.000 2.178 82 R HA -0.501 nan 4.340 nan 0.000 0.257 82 R C 2.141 178.445 176.300 0.006 0.000 1.163 82 R CA 4.089 60.193 56.100 0.007 0.000 0.981 82 R CB -0.146 30.155 30.300 0.003 0.000 0.878 82 R HN 0.662 8.939 8.270 0.010 0.000 0.454 83 K N -3.832 116.574 120.400 0.010 0.000 2.160 83 K HA -0.259 nan 4.320 nan 0.000 0.206 83 K C 0.936 177.540 176.600 0.006 0.000 1.047 83 K CA 2.748 59.041 56.287 0.010 0.000 0.930 83 K CB -0.081 32.427 32.500 0.014 0.000 0.720 83 K HN -0.084 8.151 8.250 0.012 0.022 0.450 84 I N -10.878 109.696 120.570 0.006 0.000 3.966 84 I HA 0.233 nan 4.170 nan 0.000 0.324 84 I C -0.566 175.536 176.117 -0.026 0.000 1.517 84 I CA -2.027 59.270 61.300 -0.006 0.000 1.117 84 I CB 0.501 38.509 38.000 0.014 0.000 1.190 84 I HN -0.163 7.923 8.210 0.014 0.132 0.466 85 R N 2.718 123.207 120.500 -0.018 0.000 2.643 85 R HA 0.111 nan 4.340 nan 0.000 0.270 85 R C -0.974 175.259 176.300 -0.111 0.000 1.061 85 R CA -1.179 54.908 56.100 -0.021 0.000 1.107 85 R CB -0.772 29.531 30.300 0.006 0.000 0.999 85 R HN -0.668 7.485 8.270 -0.009 0.112 0.460 86 P HA -0.245 nan 4.420 nan 0.000 0.217 86 P C 1.174 178.326 177.300 -0.248 0.000 1.151 86 P CA 2.799 65.706 63.100 -0.322 0.000 0.849 86 P CB 0.043 31.522 31.700 -0.369 0.000 0.787 87 E N -3.438 116.687 120.200 -0.125 0.000 2.204 87 E HA -0.214 nan 4.350 nan 0.000 0.195 87 E C 2.292 178.851 176.600 -0.069 0.000 0.990 87 E CA 3.233 59.588 56.400 -0.075 0.000 0.821 87 E CB -1.214 28.466 29.700 -0.034 0.000 0.750 87 E HN 0.533 8.809 8.360 -0.091 0.029 0.477 88 T N 2.419 116.927 114.554 -0.077 0.000 2.951 88 T HA -0.073 nan 4.350 nan 0.000 0.268 88 T C 1.718 176.374 174.700 -0.072 0.000 1.073 88 T CA 4.466 66.536 62.100 -0.050 0.000 1.134 88 T CB -0.602 68.246 68.868 -0.033 0.000 0.884 88 T HN 0.034 8.079 8.240 -0.086 0.143 0.479 89 G N 0.824 109.523 108.800 -0.167 0.000 2.450 89 G HA2 -0.241 nan 3.960 nan 0.000 0.220 89 G HA3 -0.241 nan 3.960 nan 0.000 0.220 89 G C 0.748 175.605 174.900 -0.071 0.000 1.130 89 G CA 2.070 47.029 45.100 -0.235 0.000 0.760 89 G HN -0.213 7.799 8.290 -0.219 0.147 0.557 90 L N 1.441 122.663 121.223 -0.003 0.000 2.027 90 L HA -0.285 nan 4.340 nan 0.000 0.206 90 L C 1.698 178.540 176.870 -0.046 0.000 1.074 90 L CA 2.517 57.387 54.840 0.049 0.000 0.745 90 L CB -0.120 41.963 42.059 0.041 0.000 0.898 90 L HN -0.883 7.188 8.230 -0.070 0.117 0.433 91 L N -1.416 119.788 121.223 -0.032 0.000 2.012 91 L HA -0.460 nan 4.340 nan 0.000 0.210 91 L C 2.535 179.365 176.870 -0.067 0.000 1.073 91 L CA 3.446 58.263 54.840 -0.037 0.000 0.748 91 L CB -1.629 40.427 42.059 -0.006 0.000 0.891 91 L HN -0.760 7.458 8.230 -0.021 0.000 0.431 92 S N -0.633 115.037 115.700 -0.050 0.000 2.368 92 S HA -0.301 nan 4.470 nan 0.000 0.225 92 S C 2.206 176.746 174.600 -0.100 0.000 1.030 92 S CA 3.918 62.119 58.200 0.001 0.000 0.999 92 S CB -0.391 62.903 63.200 0.156 0.000 0.844 92 S HN -0.077 8.210 8.310 -0.039 0.000 0.459 93 L N 1.669 122.651 121.223 -0.402 0.000 2.017 93 L HA -0.308 nan 4.340 nan 0.000 0.208 93 L C 1.266 177.985 176.870 -0.251 0.000 1.073 93 L CA 2.969 57.455 54.840 -0.590 0.000 0.745 93 L CB -0.308 41.309 42.059 -0.736 0.000 0.894 93 L HN -0.192 7.744 8.230 -0.364 0.075 0.432 94 R N -1.752 118.635 120.500 -0.188 0.000 2.081 94 R HA -0.429 nan 4.340 nan 0.000 0.235 94 R C 2.346 178.591 176.300 -0.091 0.000 1.131 94 R CA 3.921 59.939 56.100 -0.135 0.000 0.960 94 R CB -0.291 29.946 30.300 -0.106 0.000 0.856 94 R HN 0.131 8.290 8.270 -0.185 0.000 0.436 95 K N -0.463 119.890 120.400 -0.079 0.000 2.057 95 K HA -0.240 nan 4.320 nan 0.000 0.207 95 K C 3.069 179.663 176.600 -0.010 0.000 1.049 95 K CA 2.481 58.737 56.287 -0.051 0.000 0.931 95 K CB -0.368 32.097 32.500 -0.057 0.000 0.714 95 K HN 0.083 8.278 8.250 -0.092 0.000 0.440 96 S N -0.716 114.996 115.700 0.019 0.000 2.402 96 S HA -0.170 nan 4.470 nan 0.000 0.229 96 S C 1.650 176.269 174.600 0.030 0.000 1.021 96 S CA 2.806 61.045 58.200 0.065 0.000 0.974 96 S CB 0.027 63.346 63.200 0.197 0.000 0.800 96 S HN 0.162 8.370 8.310 0.009 0.107 0.484 97 Q N -1.239 118.556 119.800 -0.008 0.000 2.247 97 Q HA 0.325 nan 4.340 nan 0.000 0.204 97 Q C -1.456 174.524 176.000 -0.033 0.000 0.872 97 Q CA -1.567 54.218 55.803 -0.030 0.000 0.951 97 Q CB -0.095 28.601 28.738 -0.071 0.000 1.099 97 Q HN -0.637 7.595 8.270 -0.032 0.019 0.501 98 D N 0.007 120.402 120.400 -0.008 0.000 2.737 98 D HA -0.416 nan 4.640 nan 0.000 0.238 98 D C -1.653 174.652 176.300 0.009 0.000 1.157 98 D CA 1.328 55.355 54.000 0.045 0.000 0.694 98 D CB -1.063 39.792 40.800 0.091 0.000 1.021 98 D HN -0.561 7.622 8.370 -0.009 0.182 0.420 99 L N -1.918 119.260 121.223 -0.076 0.000 2.264 99 L HA 0.252 nan 4.340 nan 0.000 0.289 99 L C -0.384 176.416 176.870 -0.117 0.000 1.044 99 L CA -0.416 54.286 54.840 -0.230 0.000 0.807 99 L CB 0.315 42.241 42.059 -0.222 0.000 1.192 99 L HN -0.319 7.876 8.230 -0.059 0.000 0.425 100 F N -1.723 118.210 119.950 -0.029 0.000 2.789 100 F HA 0.343 nan 4.527 nan 0.000 0.320 100 F C -1.262 174.551 175.800 0.022 0.000 1.079 100 F CA -1.401 56.605 58.000 0.011 0.000 1.205 100 F CB 1.432 40.449 39.000 0.028 0.000 1.046 100 F HN 0.172 7.797 8.300 -1.125 0.000 0.586 101 A N 0.507 123.208 122.820 -0.197 0.000 2.287 101 A HA 0.391 nan 4.320 nan 0.000 0.317 101 A C -2.571 174.936 177.584 -0.129 0.000 1.220 101 A CA -1.334 50.666 52.037 -0.061 0.000 0.835 101 A CB 1.052 19.999 19.000 -0.089 0.000 1.180 101 A HN 0.024 7.788 8.150 -0.643 0.000 0.500 102 N N 3.689 122.357 118.700 -0.054 0.000 2.444 102 N HA 0.653 nan 4.740 nan 0.000 0.262 102 N C -1.825 173.637 175.510 -0.080 0.000 0.974 102 N CA -1.371 51.631 53.050 -0.079 0.000 0.933 102 N CB 2.044 40.517 38.487 -0.024 0.000 1.137 102 N HN 0.652 8.929 8.380 0.008 0.108 0.498 103 L N 6.475 127.622 121.223 -0.127 0.000 2.257 103 L HA 0.474 nan 4.340 nan 0.000 0.290 103 L C -1.234 175.586 176.870 -0.083 0.000 1.044 103 L CA -0.054 54.715 54.840 -0.119 0.000 0.810 103 L CB 0.483 42.420 42.059 -0.203 0.000 1.193 103 L HN 1.153 9.172 8.230 -0.169 0.109 0.425 104 R N 4.380 124.849 120.500 -0.052 0.000 2.358 104 R HA 0.550 nan 4.340 nan 0.000 0.309 104 R C -2.806 173.480 176.300 -0.023 0.000 1.026 104 R CA -3.269 52.812 56.100 -0.031 0.000 0.909 104 R CB 1.511 31.797 30.300 -0.023 0.000 1.153 104 R HN 0.818 9.058 8.270 -0.050 0.000 0.515 105 P HA 0.556 nan 4.420 nan 0.000 0.290 105 P C -1.929 175.358 177.300 -0.022 0.000 1.276 105 P CA -1.063 62.033 63.100 -0.006 0.000 0.808 105 P CB 0.785 32.499 31.700 0.024 0.000 0.966 106 A N 4.777 127.574 122.820 -0.039 0.000 2.323 106 A HA 0.378 nan 4.320 nan 0.000 0.305 106 A C -2.293 175.227 177.584 -0.107 0.000 1.275 106 A CA -0.882 51.118 52.037 -0.061 0.000 0.804 106 A CB 2.021 20.999 19.000 -0.038 0.000 1.152 106 A HN 0.823 8.953 8.150 -0.032 0.000 0.487 107 K N 3.932 124.205 120.400 -0.211 0.000 2.397 107 K HA 0.505 nan 4.320 nan 0.000 0.253 107 K C -1.531 174.765 176.600 -0.506 0.000 0.932 107 K CA -1.276 54.802 56.287 -0.348 0.000 0.795 107 K CB 3.337 35.560 32.500 -0.461 0.000 1.159 107 K HN 0.120 8.238 8.250 -0.221 0.000 0.424 108 V N 7.267 126.978 119.914 -0.339 0.000 2.334 108 V HA 0.129 nan 4.120 nan 0.000 0.267 108 V C -0.849 175.112 176.094 -0.222 0.000 1.040 108 V CA -0.612 61.542 62.300 -0.244 0.000 0.866 108 V CB 0.003 31.771 31.823 -0.092 0.000 1.019 108 V HN 0.173 8.223 8.190 -0.233 0.000 0.468 109 F N 8.230 128.193 119.950 0.022 0.000 2.529 109 F HA 0.133 nan 4.527 nan 0.000 0.365 109 F C -1.326 174.481 175.800 0.011 0.000 1.102 109 F CA -3.011 54.999 58.000 0.016 0.000 1.271 109 F CB -0.510 38.499 39.000 0.016 0.000 1.120 109 F HN -0.078 8.067 8.300 -0.257 0.000 0.579 110 P HA -0.275 nan 4.420 nan 0.000 0.262 110 P C -0.529 176.829 177.300 0.096 0.000 1.182 110 P CA 1.474 64.640 63.100 0.109 0.000 0.761 110 P CB -0.337 31.416 31.700 0.088 0.000 0.795 111 G N 3.451 112.291 108.800 0.067 0.000 2.241 111 G HA2 -0.351 nan 3.960 nan 0.000 0.244 111 G HA3 -0.351 nan 3.960 nan 0.000 0.244 111 G C 0.140 175.078 174.900 0.062 0.000 0.998 111 G CA 0.428 45.560 45.100 0.053 0.000 0.621 111 G HN 0.194 8.899 8.290 0.057 -0.380 0.519 112 L N -0.178 121.098 121.223 0.088 0.000 2.667 112 L HA 0.213 nan 4.340 nan 0.000 0.232 112 L C 1.237 178.144 176.870 0.062 0.000 1.138 112 L CA -0.441 54.453 54.840 0.090 0.000 0.921 112 L CB -0.951 41.198 42.059 0.150 0.000 1.180 112 L HN 0.139 8.241 8.230 0.108 0.193 0.487 113 E N 0.877 121.105 120.200 0.047 0.000 2.130 113 E HA -0.382 nan 4.350 nan 0.000 0.196 113 E C 2.277 178.894 176.600 0.027 0.000 0.998 113 E CA 3.912 60.330 56.400 0.030 0.000 0.806 113 E CB -1.022 28.692 29.700 0.023 0.000 0.738 113 E HN 0.442 8.762 8.360 0.051 0.070 0.459 114 R N -1.107 119.411 120.500 0.030 0.000 2.139 114 R HA -0.287 nan 4.340 nan 0.000 0.243 114 R C 1.818 178.133 176.300 0.026 0.000 1.145 114 R CA 2.480 58.595 56.100 0.026 0.000 0.976 114 R CB -0.551 29.765 30.300 0.027 0.000 0.866 114 R HN 0.006 8.282 8.270 0.033 0.014 0.449 115 L N -2.383 118.860 121.223 0.032 0.000 2.217 115 L HA -0.122 nan 4.340 nan 0.000 0.211 115 L C 0.910 177.794 176.870 0.024 0.000 1.107 115 L CA 0.833 55.692 54.840 0.031 0.000 0.783 115 L CB 0.046 42.130 42.059 0.043 0.000 0.919 115 L HN -0.448 7.667 8.230 0.039 0.138 0.442 116 S N -0.257 115.455 115.700 0.020 0.000 2.572 116 S HA 0.034 nan 4.470 nan 0.000 0.279 116 S C -0.461 174.147 174.600 0.013 0.000 1.341 116 S CA -1.691 56.518 58.200 0.014 0.000 1.043 116 S CB 0.943 64.149 63.200 0.010 0.000 0.887 116 S HN -0.562 7.618 8.310 0.022 0.144 0.516 117 P HA 0.110 nan 4.420 nan 0.000 0.236 117 P C -1.087 176.219 177.300 0.011 0.000 1.177 117 P CA 0.369 63.475 63.100 0.010 0.000 0.773 117 P CB 0.382 32.087 31.700 0.009 0.000 0.878 118 L N 0.422 121.652 121.223 0.011 0.000 2.379 118 L HA 0.145 nan 4.340 nan 0.000 0.269 118 L C 0.178 177.055 176.870 0.012 0.000 1.084 118 L CA -1.306 53.541 54.840 0.012 0.000 0.802 118 L CB 0.608 42.675 42.059 0.014 0.000 1.175 118 L HN -0.695 7.481 8.230 0.011 0.061 0.448 119 K N 1.948 122.355 120.400 0.011 0.000 2.484 119 K HA -0.077 nan 4.320 nan 0.000 0.280 119 K C 1.212 177.818 176.600 0.009 0.000 1.013 119 K CA 0.561 56.853 56.287 0.010 0.000 1.029 119 K CB 0.379 32.884 32.500 0.009 0.000 0.902 119 K HN 0.236 8.493 8.250 0.012 0.000 0.481 120 E N 5.311 125.517 120.200 0.010 0.000 2.147 120 E HA -0.477 nan 4.350 nan 0.000 0.199 120 E C 1.704 178.308 176.600 0.007 0.000 1.005 120 E CA 3.782 60.188 56.400 0.010 0.000 0.810 120 E CB -0.595 29.112 29.700 0.011 0.000 0.736 120 E HN 0.725 9.091 8.360 0.010 0.000 0.460 121 E N -2.776 117.427 120.200 0.005 0.000 2.153 121 E HA -0.237 nan 4.350 nan 0.000 0.194 121 E C 2.034 178.634 176.600 -0.000 0.000 0.988 121 E CA 2.446 58.847 56.400 0.002 0.000 0.811 121 E CB -1.022 28.678 29.700 0.000 0.000 0.746 121 E HN 0.489 8.824 8.360 0.006 0.029 0.466 122 I N -5.894 114.678 120.570 0.004 0.000 3.427 122 I HA 0.121 nan 4.170 nan 0.000 0.288 122 I C 0.144 176.265 176.117 0.007 0.000 1.249 122 I CA 1.219 62.522 61.300 0.005 0.000 1.421 122 I CB 0.038 38.045 38.000 0.012 0.000 1.086 122 I HN -0.158 7.924 8.210 0.006 0.131 0.448 123 A N -0.579 122.245 122.820 0.006 0.000 2.030 123 A HA -0.077 nan 4.320 nan 0.000 0.215 123 A C -0.118 177.464 177.584 -0.002 0.000 1.164 123 A CA 0.363 52.402 52.037 0.004 0.000 0.697 123 A CB 0.436 19.438 19.000 0.004 0.000 0.827 123 A HN -0.699 7.354 8.150 0.007 0.100 0.457 124 R N 0.031 120.531 120.500 0.000 0.000 2.504 124 R HA -0.383 nan 4.340 nan 0.000 0.291 124 R C 0.662 176.959 176.300 -0.005 0.000 0.974 124 R CA 1.765 57.866 56.100 0.001 0.000 1.077 124 R CB -0.176 30.126 30.300 0.003 0.000 0.926 124 R HN -0.510 7.761 8.270 0.003 0.000 0.407 125 G N 4.197 112.994 108.800 -0.006 0.000 2.159 125 G HA2 -0.482 nan 3.960 nan 0.000 0.256 125 G HA3 -0.482 nan 3.960 nan 0.000 0.256 125 G C -0.862 174.029 174.900 -0.015 0.000 0.977 125 G CA -0.111 44.984 45.100 -0.008 0.000 0.652 125 G HN 0.521 8.810 8.290 -0.003 0.000 0.531 126 V N 1.207 121.108 119.914 -0.022 0.000 2.585 126 V HA -0.145 nan 4.120 nan 0.000 0.296 126 V C -1.206 174.862 176.094 -0.044 0.000 1.035 126 V CA 1.165 63.454 62.300 -0.019 0.000 1.084 126 V CB 0.010 31.824 31.823 -0.016 0.000 0.953 126 V HN -0.656 7.470 8.190 -0.024 0.050 0.483 127 D N 7.008 127.398 120.400 -0.016 0.000 3.118 127 D HA 0.104 nan 4.640 nan 0.000 0.259 127 D C -2.229 174.078 176.300 0.013 0.000 1.292 127 D CA 0.183 54.169 54.000 -0.024 0.000 0.784 127 D CB 1.400 42.193 40.800 -0.011 0.000 1.413 127 D HN 0.203 8.582 8.370 0.014 0.000 0.583 128 V N 2.407 122.330 119.914 0.015 0.000 2.532 128 V HA 0.918 nan 4.120 nan 0.000 0.295 128 V C -2.968 173.126 176.094 0.001 0.000 1.041 128 V CA -2.164 60.156 62.300 0.033 0.000 0.926 128 V CB 3.443 35.304 31.823 0.063 0.000 0.992 128 V HN 0.047 8.234 8.190 -0.005 0.000 0.457 129 L N 8.980 130.199 121.223 -0.006 0.000 2.345 129 L HA 0.779 nan 4.340 nan 0.000 0.274 129 L C -2.174 174.670 176.870 -0.043 0.000 0.999 129 L CA -1.272 53.557 54.840 -0.018 0.000 0.849 129 L CB 2.803 44.860 42.059 -0.003 0.000 1.220 129 L HN 0.736 8.964 8.230 -0.004 0.000 0.422 130 I N 8.777 129.319 120.570 -0.046 0.000 2.371 130 I HA 0.285 nan 4.170 nan 0.000 0.290 130 I C -1.350 174.739 176.117 -0.047 0.000 1.028 130 I CA -0.295 60.971 61.300 -0.056 0.000 1.345 130 I CB 0.570 38.538 38.000 -0.053 0.000 1.407 130 I HN 0.481 8.668 8.210 -0.038 0.000 0.501 131 V N 8.428 128.316 119.914 -0.044 0.000 2.334 131 V HA 0.500 nan 4.120 nan 0.000 0.281 131 V C -2.050 174.053 176.094 0.015 0.000 1.016 131 V CA -1.636 60.649 62.300 -0.025 0.000 0.832 131 V CB 0.004 31.806 31.823 -0.034 0.000 0.999 131 V HN 1.192 9.240 8.190 -0.054 0.110 0.439 132 R N 7.332 127.847 120.500 0.025 0.000 2.532 132 R HA 0.609 nan 4.340 nan 0.000 0.295 132 R C -1.581 174.787 176.300 0.112 0.000 0.968 132 R CA -1.919 54.214 56.100 0.055 0.000 0.916 132 R CB 3.619 33.940 30.300 0.034 0.000 1.124 132 R HN 0.977 9.144 8.270 0.004 0.106 0.463 133 E N 5.115 125.414 120.200 0.165 0.000 2.324 133 E HA -0.065 nan 4.350 nan 0.000 0.271 133 E C -0.868 175.875 176.600 0.239 0.000 1.028 133 E CA 0.699 57.255 56.400 0.260 0.000 0.890 133 E CB 0.178 30.090 29.700 0.354 0.000 1.004 133 E HN -0.225 8.210 8.360 0.126 0.000 0.431 134 L N 5.236 126.608 121.223 0.248 0.000 2.286 134 L HA 0.064 nan 4.340 nan 0.000 0.203 134 L C 1.268 178.325 176.870 0.312 0.000 1.068 134 L CA 1.332 56.315 54.840 0.240 0.000 0.811 134 L CB 0.829 42.974 42.059 0.142 0.000 0.989 134 L HN 0.810 9.097 8.230 0.269 0.105 0.467 135 T N -5.948 108.755 114.554 0.247 0.000 2.904 135 T HA -0.033 nan 4.350 nan 0.000 0.267 135 T C 0.532 175.333 174.700 0.168 0.000 1.059 135 T CA 1.219 63.385 62.100 0.109 0.000 1.137 135 T CB 0.475 69.391 68.868 0.081 0.000 0.879 135 T HN -0.495 8.063 8.240 0.273 -0.155 0.467 136 G N 1.070 110.046 108.800 0.293 0.000 3.135 136 G HA2 0.446 nan 3.960 nan 0.000 0.159 136 G HA3 0.446 nan 3.960 nan 0.000 0.159 136 G C -1.330 173.558 174.900 -0.020 0.000 1.244 136 G CA -1.565 43.632 45.100 0.161 0.000 0.965 136 G HN -0.521 8.464 8.290 0.337 -0.493 0.599 137 G N -0.571 107.865 108.800 -0.607 0.000 2.660 137 G HA2 -0.324 nan 3.960 nan 0.000 0.215 137 G HA3 -0.324 nan 3.960 nan 0.000 0.215 137 G C 0.528 175.217 174.900 -0.352 0.000 1.345 137 G CA -0.321 44.397 45.100 -0.637 0.000 0.877 137 G HN -0.673 7.111 8.290 -0.845 0.000 0.549 138 I N 1.726 122.095 120.570 -0.334 0.000 2.614 138 I HA -0.268 nan 4.170 nan 0.000 0.258 138 I C 1.327 177.372 176.117 -0.119 0.000 1.189 138 I CA 2.181 63.362 61.300 -0.197 0.000 1.462 138 I CB 0.069 37.968 38.000 -0.169 0.000 1.092 138 I HN 0.093 8.238 8.210 -0.408 -0.180 0.442 139 Y N -1.519 118.540 120.300 -0.401 0.000 2.224 139 Y HA -0.264 nan 4.550 nan 0.000 0.289 139 Y C 1.256 176.640 175.900 -0.859 0.000 1.146 139 Y CA 1.569 59.245 58.100 -0.708 0.000 1.182 139 Y CB -0.495 37.344 38.460 -1.035 0.000 0.983 139 Y HN 0.003 8.018 8.280 -0.374 0.041 0.524 140 F N -4.238 115.756 119.950 0.073 0.000 2.724 140 F HA 0.212 nan 4.527 nan 0.000 0.310 140 F C 0.420 176.203 175.800 -0.028 0.000 1.107 140 F CA -1.108 56.900 58.000 0.012 0.000 1.218 140 F CB 0.313 39.319 39.000 0.009 0.000 1.042 140 F HN -0.780 7.397 8.300 -0.175 0.018 0.540 141 G N 1.036 109.858 108.800 0.038 0.000 2.442 141 G HA2 -0.108 nan 3.960 nan 0.000 0.249 141 G HA3 -0.108 nan 3.960 nan 0.000 0.249 141 G C -1.725 173.192 174.900 0.030 0.000 1.263 141 G CA -0.011 45.091 45.100 0.004 0.000 0.846 141 G HN -0.775 7.308 8.290 -0.032 0.188 0.555 142 E N 0.701 120.923 120.200 0.037 0.000 2.238 142 E HA 0.419 nan 4.350 nan 0.000 0.267 142 E C -1.323 175.320 176.600 0.071 0.000 0.887 142 E CA -2.809 53.628 56.400 0.062 0.000 0.769 142 E CB 2.311 32.044 29.700 0.055 0.000 1.187 142 E HN -0.021 8.352 8.360 0.020 0.000 0.416 143 P HA 0.610 nan 4.420 nan 0.000 0.276 143 P C -1.753 175.708 177.300 0.269 0.000 1.261 143 P CA -0.440 62.785 63.100 0.210 0.000 0.800 143 P CB 1.362 33.219 31.700 0.262 0.000 1.066 144 R N -4.113 116.500 120.500 0.189 0.000 2.752 144 R HA 0.806 nan 4.340 nan 0.000 0.271 144 R C -1.145 174.802 176.300 -0.589 0.000 1.026 144 R CA -1.403 54.566 56.100 -0.218 0.000 0.901 144 R CB 3.162 33.372 30.300 -0.150 0.000 1.243 144 R HN 0.059 8.462 8.270 0.222 0.000 0.463 145 G N -1.889 106.220 108.800 -1.152 0.000 2.361 145 G HA2 -0.065 nan 3.960 nan 0.000 0.305 145 G HA3 -0.065 nan 3.960 nan 0.000 0.305 145 G C -3.323 170.672 174.900 -1.508 0.000 1.367 145 G CA -0.016 44.415 45.100 -1.116 0.000 0.951 145 G HN 0.073 7.704 8.290 -1.099 0.000 0.615 146 M N -2.531 116.580 119.600 -0.815 0.000 2.683 146 M HA 0.895 nan 4.480 nan 0.000 0.274 146 M C -1.884 174.350 176.300 -0.110 0.000 1.272 146 M CA -1.308 53.724 55.300 -0.447 0.000 0.833 146 M CB 4.434 36.881 32.600 -0.256 0.000 1.708 146 M HN -0.031 7.952 8.290 -0.513 0.000 0.463 147 S N -0.358 115.365 115.700 0.038 0.000 2.973 147 S HA 0.339 nan 4.470 nan 0.000 0.317 147 S C -0.641 173.992 174.600 0.055 0.000 1.196 147 S CA -0.389 57.864 58.200 0.088 0.000 0.894 147 S CB 2.227 65.537 63.200 0.184 0.000 1.292 147 S HN 0.726 9.058 8.310 0.037 0.000 0.614 148 E N 0.336 120.569 120.200 0.054 0.000 2.285 148 E HA -0.063 nan 4.350 nan 0.000 0.194 148 E C -0.605 176.020 176.600 0.042 0.000 0.997 148 E CA 0.646 57.067 56.400 0.036 0.000 0.845 148 E CB 0.084 29.801 29.700 0.028 0.000 0.782 148 E HN 0.550 8.947 8.360 0.062 0.000 0.491 149 A N -1.698 121.160 122.820 0.062 0.000 2.140 149 A HA 0.066 nan 4.320 nan 0.000 0.209 149 A C -0.752 176.881 177.584 0.081 0.000 1.181 149 A CA 0.485 52.559 52.037 0.060 0.000 0.824 149 A CB 1.097 20.128 19.000 0.053 0.000 0.879 149 A HN -0.038 8.127 8.150 0.078 0.032 0.480 150 E N -4.365 115.912 120.200 0.128 0.000 2.435 150 E HA 0.185 nan 4.350 nan 0.000 0.277 150 E C -2.726 174.008 176.600 0.223 0.000 1.106 150 E CA -0.767 55.734 56.400 0.169 0.000 0.868 150 E CB 1.752 31.569 29.700 0.194 0.000 1.454 150 E HN -0.485 7.960 8.360 0.143 0.000 0.452 151 A N -1.249 121.709 122.820 0.229 0.000 2.594 151 A HA 0.776 nan 4.320 nan 0.000 0.291 151 A C -2.247 175.484 177.584 0.246 0.000 1.105 151 A CA -0.775 51.289 52.037 0.045 0.000 0.694 151 A CB 2.485 21.422 19.000 -0.105 0.000 1.291 151 A HN 0.078 8.360 8.150 0.221 0.000 0.410 152 W N -1.113 120.181 121.300 -0.010 0.000 3.137 152 W HA 0.271 nan 4.660 nan 0.000 0.324 152 W C -3.096 173.414 176.519 -0.015 0.000 1.253 152 W CA -1.032 56.306 57.345 -0.012 0.000 1.183 152 W CB 1.640 31.093 29.460 -0.012 0.000 1.424 152 W HN 0.907 8.580 8.180 -0.844 0.000 0.566 153 N N -0.924 117.838 118.700 0.103 0.000 2.396 153 N HA 0.184 nan 4.740 nan 0.000 0.275 153 N C -1.828 173.729 175.510 0.077 0.000 1.218 153 N CA -0.186 52.877 53.050 0.022 0.000 0.812 153 N CB 3.976 42.442 38.487 -0.035 0.000 1.592 153 N HN -0.136 8.360 8.380 0.194 0.000 0.480 154 T N 1.574 116.154 114.554 0.043 0.000 2.786 154 T HA 0.167 nan 4.350 nan 0.000 0.283 154 T C -1.250 173.422 174.700 -0.047 0.000 0.992 154 T CA -0.513 61.600 62.100 0.021 0.000 0.954 154 T CB 1.446 70.338 68.868 0.040 0.000 0.934 154 T HN -0.044 8.208 8.240 0.021 0.000 0.440 155 E N 6.009 126.173 120.200 -0.060 0.000 2.089 155 E HA 0.026 nan 4.350 nan 0.000 0.284 155 E C -1.510 175.031 176.600 -0.099 0.000 1.023 155 E CA -0.708 55.621 56.400 -0.118 0.000 0.819 155 E CB 0.747 30.387 29.700 -0.100 0.000 1.076 155 E HN 0.277 8.620 8.360 -0.030 0.000 0.396 156 R N 5.586 125.976 120.500 -0.184 0.000 2.673 156 R HA 0.309 nan 4.340 nan 0.000 0.281 156 R C -2.019 174.136 176.300 -0.242 0.000 0.991 156 R CA -0.514 55.505 56.100 -0.137 0.000 0.896 156 R CB 3.037 33.275 30.300 -0.103 0.000 1.201 156 R HN 0.025 8.123 8.270 -0.285 0.000 0.457 157 Y N 0.506 120.821 120.300 0.025 0.000 2.504 157 Y HA 0.422 nan 4.550 nan 0.000 0.344 157 Y C -0.980 174.987 175.900 0.111 0.000 1.023 157 Y CA -1.117 57.068 58.100 0.143 0.000 1.020 157 Y CB 2.985 41.644 38.460 0.333 0.000 1.282 157 Y HN -0.039 8.268 8.280 0.044 0.000 0.454 158 S N 2.594 118.535 115.700 0.402 0.000 2.638 158 S HA 0.428 nan 4.470 nan 0.000 0.298 158 S C -0.093 174.776 174.600 0.449 0.000 1.111 158 S CA -1.304 57.082 58.200 0.310 0.000 1.027 158 S CB 3.204 66.497 63.200 0.155 0.000 1.064 158 S HN 0.559 9.414 8.310 0.464 -0.267 0.525 159 K N 2.205 122.876 120.400 0.452 0.000 2.044 159 K HA -0.191 nan 4.320 nan 0.000 0.210 159 K C -0.257 176.357 176.600 0.022 0.000 1.049 159 K CA 5.065 61.468 56.287 0.192 0.000 0.927 159 K CB -1.598 30.994 32.500 0.153 0.000 0.713 159 K HN 0.706 9.233 8.250 0.462 0.000 0.443 160 P HA -0.195 nan 4.420 nan 0.000 0.216 160 P C 1.621 178.867 177.300 -0.089 0.000 1.153 160 P CA 2.992 66.064 63.100 -0.045 0.000 0.848 160 P CB -0.339 31.344 31.700 -0.029 0.000 0.787 161 E N -1.465 118.737 120.200 0.004 0.000 2.058 161 E HA -0.393 nan 4.350 nan 0.000 0.194 161 E C 2.617 179.188 176.600 -0.049 0.000 0.997 161 E CA 3.273 59.696 56.400 0.038 0.000 0.801 161 E CB -0.225 29.646 29.700 0.285 0.000 0.746 161 E HN -0.697 7.708 8.360 0.076 0.000 0.450 162 V N -0.852 118.992 119.914 -0.117 0.000 2.379 162 V HA -0.346 nan 4.120 nan 0.000 0.245 162 V C 2.058 177.906 176.094 -0.410 0.000 1.044 162 V CA 4.148 66.177 62.300 -0.452 0.000 1.036 162 V CB -0.807 30.614 31.823 -0.671 0.000 0.664 162 V HN -0.448 7.735 8.190 -0.011 0.000 0.453 163 E N -0.770 119.263 120.200 -0.279 0.000 2.077 163 E HA -0.401 nan 4.350 nan 0.000 0.193 163 E C 2.566 179.068 176.600 -0.163 0.000 0.989 163 E CA 3.642 59.919 56.400 -0.205 0.000 0.800 163 E CB -0.439 29.169 29.700 -0.153 0.000 0.746 163 E HN -0.050 8.172 8.360 -0.229 0.000 0.452 164 R N -1.577 118.774 120.500 -0.248 0.000 2.080 164 R HA -0.318 nan 4.340 nan 0.000 0.236 164 R C 2.583 178.833 176.300 -0.083 0.000 1.137 164 R CA 3.466 59.359 56.100 -0.346 0.000 0.943 164 R CB -0.147 29.534 30.300 -1.030 0.000 0.846 164 R HN -0.210 7.892 8.270 -0.280 0.000 0.431 165 V N -4.673 115.208 119.914 -0.054 0.000 2.358 165 V HA -0.195 nan 4.120 nan 0.000 0.246 165 V C 1.526 177.647 176.094 0.045 0.000 1.047 165 V CA 3.109 65.493 62.300 0.141 0.000 1.035 165 V CB -1.119 30.812 31.823 0.181 0.000 0.658 165 V HN -0.760 7.323 8.190 -0.177 0.000 0.452 166 A N 0.560 123.343 122.820 -0.063 0.000 1.908 166 A HA -0.386 nan 4.320 nan 0.000 0.218 166 A C 1.688 179.358 177.584 0.143 0.000 1.181 166 A CA 3.337 55.356 52.037 -0.030 0.000 0.627 166 A CB -0.804 18.164 19.000 -0.053 0.000 0.818 166 A HN 0.162 8.220 8.150 -0.153 0.000 0.445 167 R N -1.718 118.866 120.500 0.140 0.000 2.083 167 R HA -0.347 nan 4.340 nan 0.000 0.237 167 R C 2.290 178.651 176.300 0.102 0.000 1.137 167 R CA 3.520 59.722 56.100 0.170 0.000 0.951 167 R CB 0.066 30.457 30.300 0.150 0.000 0.851 167 R HN -0.222 8.085 8.270 0.062 0.000 0.434 168 V N -0.939 119.041 119.914 0.111 0.000 2.287 168 V HA -0.426 nan 4.120 nan 0.000 0.248 168 V C 1.782 177.867 176.094 -0.014 0.000 1.053 168 V CA 3.987 66.335 62.300 0.080 0.000 1.027 168 V CB -0.839 31.056 31.823 0.121 0.000 0.646 168 V HN -0.456 7.823 8.190 0.147 0.000 0.447 169 A N -0.192 122.579 122.820 -0.081 0.000 1.883 169 A HA -0.320 nan 4.320 nan 0.000 0.217 169 A C 1.887 179.274 177.584 -0.328 0.000 1.186 169 A CA 3.306 55.211 52.037 -0.220 0.000 0.624 169 A CB -0.807 17.998 19.000 -0.324 0.000 0.822 169 A HN -0.085 8.040 8.150 -0.042 0.000 0.444 170 F N -2.577 117.186 119.950 -0.311 0.000 2.146 170 F HA -0.392 nan 4.527 nan 0.000 0.298 170 F C 2.328 177.875 175.800 -0.422 0.000 1.096 170 F CA 4.323 62.006 58.000 -0.529 0.000 1.275 170 F CB -0.269 38.002 39.000 -1.215 0.000 1.008 170 F HN -0.204 7.951 8.300 -0.242 0.000 0.480 171 E N -0.296 119.824 120.200 -0.132 0.000 2.110 171 E HA -0.353 nan 4.350 nan 0.000 0.193 171 E C 2.563 179.179 176.600 0.028 0.000 0.988 171 E CA 3.023 59.433 56.400 0.016 0.000 0.804 171 E CB -0.185 29.563 29.700 0.081 0.000 0.745 171 E HN -0.340 7.872 8.360 -0.124 0.073 0.458 172 L N -0.999 120.223 121.223 -0.001 0.000 2.005 172 L HA -0.279 nan 4.340 nan 0.000 0.207 172 L C 2.456 179.331 176.870 0.008 0.000 1.072 172 L CA 2.577 57.430 54.840 0.022 0.000 0.744 172 L CB -0.950 41.115 42.059 0.009 0.000 0.895 172 L HN 0.040 8.251 8.230 -0.033 0.000 0.433 173 A N -1.044 121.754 122.820 -0.037 0.000 1.917 173 A HA -0.416 nan 4.320 nan 0.000 0.219 173 A C 2.254 179.858 177.584 0.032 0.000 1.182 173 A CA 3.086 55.110 52.037 -0.022 0.000 0.633 173 A CB -0.809 18.148 19.000 -0.072 0.000 0.819 173 A HN 0.089 8.186 8.150 -0.087 0.000 0.448 174 R N -2.565 117.967 120.500 0.054 0.000 2.105 174 R HA -0.274 nan 4.340 nan 0.000 0.239 174 R C 2.035 178.374 176.300 0.064 0.000 1.135 174 R CA 2.666 58.817 56.100 0.085 0.000 0.967 174 R CB 0.070 30.446 30.300 0.127 0.000 0.861 174 R HN -0.264 8.021 8.270 0.039 0.009 0.442 175 K N -4.888 115.543 120.400 0.052 0.000 2.444 175 K HA -0.019 nan 4.320 nan 0.000 0.193 175 K C 0.028 176.648 176.600 0.033 0.000 1.024 175 K CA 0.814 57.124 56.287 0.038 0.000 1.077 175 K CB 0.155 32.672 32.500 0.029 0.000 0.833 175 K HN -0.418 7.757 8.250 0.050 0.106 0.517 176 R N -2.412 118.111 120.500 0.037 0.000 2.328 176 R HA 0.144 nan 4.340 nan 0.000 0.114 176 R C 0.411 176.735 176.300 0.041 0.000 1.543 176 R CA -0.805 55.317 56.100 0.036 0.000 1.352 176 R CB 1.855 32.175 30.300 0.033 0.000 1.142 176 R HN -0.360 7.697 8.270 0.040 0.237 0.443 177 R N -1.680 118.848 120.500 0.047 0.000 2.633 177 R HA 0.288 nan 4.340 nan 0.000 0.348 177 R C -0.711 175.635 176.300 0.078 0.000 1.100 177 R CA -0.605 55.529 56.100 0.056 0.000 1.068 177 R CB 0.484 30.817 30.300 0.056 0.000 1.351 177 R HN -0.084 8.603 8.270 0.045 -0.390 0.575 178 K N -3.550 116.896 120.400 0.076 0.000 3.012 178 K HA -0.438 nan 4.320 nan 0.000 0.259 178 K C -1.854 174.836 176.600 0.149 0.000 0.989 178 K CA 1.276 57.622 56.287 0.097 0.000 0.728 178 K CB -2.375 30.180 32.500 0.091 0.000 1.260 178 K HN 0.036 8.246 8.250 0.061 0.077 0.480 179 H N -2.941 116.133 119.070 0.008 0.000 2.759 179 H HA 0.685 nan 4.556 nan 0.000 0.354 179 H C -2.781 172.526 175.328 -0.035 0.000 1.074 179 H CA -0.940 55.108 56.048 -0.001 0.000 1.226 179 H CB 2.973 32.736 29.762 0.002 0.000 1.648 179 H HN -0.738 7.807 8.280 0.104 -0.202 0.529 180 V N 6.400 126.048 119.914 -0.444 0.000 2.656 180 V HA 0.613 nan 4.120 nan 0.000 0.307 180 V C -2.033 173.758 176.094 -0.505 0.000 1.051 180 V CA -1.121 60.860 62.300 -0.531 0.000 0.893 180 V CB 3.519 35.005 31.823 -0.562 0.000 0.999 180 V HN 0.902 9.034 8.190 -0.097 0.000 0.426 181 V N 5.965 125.634 119.914 -0.407 0.000 2.407 181 V HA 0.516 nan 4.120 nan 0.000 0.291 181 V C -1.724 174.272 176.094 -0.163 0.000 1.018 181 V CA -1.754 60.420 62.300 -0.211 0.000 0.842 181 V CB 2.051 33.816 31.823 -0.096 0.000 0.996 181 V HN 0.576 8.530 8.190 -0.393 0.000 0.426 182 S N 6.267 121.900 115.700 -0.112 0.000 2.475 182 S HA 0.728 nan 4.470 nan 0.000 0.281 182 S C -1.400 173.275 174.600 0.125 0.000 1.198 182 S CA -1.405 56.846 58.200 0.085 0.000 1.063 182 S CB 1.304 64.636 63.200 0.220 0.000 0.972 182 S HN 0.706 8.899 8.310 -0.195 0.000 0.486 183 V N 6.515 126.471 119.914 0.070 0.000 2.398 183 V HA 0.628 nan 4.120 nan 0.000 0.286 183 V C -1.136 174.919 176.094 -0.064 0.000 1.026 183 V CA -1.272 61.015 62.300 -0.021 0.000 0.868 183 V CB 0.504 32.263 31.823 -0.106 0.000 0.982 183 V HN 0.608 8.846 8.190 0.080 0.000 0.443 184 D N 6.866 127.288 120.400 0.036 0.000 2.958 184 D HA 0.339 nan 4.640 nan 0.000 0.306 184 D C -2.277 174.173 176.300 0.251 0.000 1.226 184 D CA -0.570 53.495 54.000 0.108 0.000 1.032 184 D CB 3.277 44.168 40.800 0.152 0.000 1.400 184 D HN 0.573 8.979 8.370 0.060 0.000 0.587 185 K N -1.735 118.850 120.400 0.309 0.000 3.320 185 K HA 0.331 nan 4.320 nan 0.000 0.194 185 K C 0.003 176.702 176.600 0.165 0.000 1.085 185 K CA -1.724 54.698 56.287 0.224 0.000 0.901 185 K CB -0.718 31.907 32.500 0.208 0.000 0.765 185 K HN 0.137 8.555 8.250 0.279 0.000 0.480 186 A N 0.202 123.204 122.820 0.302 0.000 2.024 186 A HA -0.285 nan 4.320 nan 0.000 0.220 186 A C 0.154 177.802 177.584 0.106 0.000 1.164 186 A CA 2.863 55.046 52.037 0.242 0.000 0.643 186 A CB -0.554 18.627 19.000 0.303 0.000 0.806 186 A HN 0.034 8.780 8.150 0.470 -0.314 0.451 187 N N -5.380 113.250 118.700 -0.117 0.000 2.550 187 N HA -0.115 nan 4.740 nan 0.000 0.186 187 N C -0.057 175.362 175.510 -0.151 0.000 1.110 187 N CA 1.350 54.263 53.050 -0.228 0.000 0.912 187 N CB -0.251 37.872 38.487 -0.605 0.000 0.968 187 N HN -0.129 8.016 8.380 -0.332 0.035 0.448 188 V N -3.708 116.143 119.914 -0.104 0.000 3.305 188 V HA 0.145 nan 4.120 nan 0.000 0.247 188 V C -0.456 175.639 176.094 0.002 0.000 1.426 188 V CA 1.142 63.410 62.300 -0.054 0.000 1.162 188 V CB 2.038 33.820 31.823 -0.069 0.000 0.961 188 V HN -0.479 7.599 8.190 -0.087 0.060 0.449 189 L N -1.587 119.657 121.223 0.036 0.000 2.334 189 L HA 0.378 nan 4.340 nan 0.000 0.276 189 L C 0.353 177.280 176.870 0.095 0.000 1.014 189 L CA -1.116 53.763 54.840 0.066 0.000 0.815 189 L CB 1.882 43.992 42.059 0.086 0.000 1.268 189 L HN -0.047 8.205 8.230 0.036 0.000 0.428 190 E N 3.282 123.532 120.200 0.084 0.000 2.085 190 E HA -0.347 nan 4.350 nan 0.000 0.194 190 E C 1.835 178.538 176.600 0.171 0.000 0.994 190 E CA 3.687 60.149 56.400 0.103 0.000 0.801 190 E CB -0.516 29.219 29.700 0.059 0.000 0.743 190 E HN 0.627 9.024 8.360 0.062 0.000 0.453 191 V N -1.237 118.776 119.914 0.166 0.000 2.407 191 V HA -0.282 nan 4.120 nan 0.000 0.248 191 V C 2.339 178.631 176.094 0.329 0.000 1.055 191 V CA 4.319 66.776 62.300 0.262 0.000 1.049 191 V CB -1.104 30.846 31.823 0.212 0.000 0.662 191 V HN 0.100 8.352 8.190 0.118 0.009 0.455 192 G N -1.037 107.908 108.800 0.241 0.000 2.421 192 G HA2 -0.337 nan 3.960 nan 0.000 0.216 192 G HA3 -0.337 nan 3.960 nan 0.000 0.216 192 G C 1.079 176.149 174.900 0.283 0.000 1.171 192 G CA 2.209 47.463 45.100 0.256 0.000 0.775 192 G HN -0.545 7.747 8.290 0.188 0.111 0.543 193 E N 3.082 123.421 120.200 0.232 0.000 2.038 193 E HA -0.415 nan 4.350 nan 0.000 0.195 193 E C 2.076 178.809 176.600 0.221 0.000 1.000 193 E CA 2.753 59.268 56.400 0.192 0.000 0.803 193 E CB -0.187 29.608 29.700 0.158 0.000 0.750 193 E HN -0.437 8.045 8.360 0.204 0.000 0.448 194 F N 0.980 121.004 119.950 0.124 0.000 2.126 194 F HA -0.387 nan 4.527 nan 0.000 0.299 194 F C 1.248 177.120 175.800 0.119 0.000 1.096 194 F CA 3.261 61.326 58.000 0.108 0.000 1.255 194 F CB 0.343 39.416 39.000 0.120 0.000 0.997 194 F HN 0.169 8.607 8.300 0.409 0.107 0.479 195 W N -0.973 120.348 121.300 0.034 0.000 2.354 195 W HA -0.480 nan 4.660 nan 0.000 0.315 195 W C 1.501 177.964 176.519 -0.093 0.000 1.206 195 W CA 3.884 61.176 57.345 -0.090 0.000 1.290 195 W CB 0.111 29.556 29.460 -0.025 0.000 1.152 195 W HN 0.313 8.595 8.180 0.499 0.197 0.489 196 R N -0.661 119.977 120.500 0.230 0.000 2.096 196 R HA -0.543 nan 4.340 nan 0.000 0.240 196 R C 2.011 178.266 176.300 -0.074 0.000 1.139 196 R CA 3.951 60.093 56.100 0.070 0.000 0.952 196 R CB -0.246 30.011 30.300 -0.070 0.000 0.854 196 R HN 0.137 8.608 8.270 0.335 0.000 0.436 197 K N -1.925 118.414 120.400 -0.100 0.000 2.032 197 K HA -0.325 nan 4.320 nan 0.000 0.209 197 K C 2.334 178.818 176.600 -0.193 0.000 1.048 197 K CA 3.675 59.885 56.287 -0.128 0.000 0.927 197 K CB -0.150 32.280 32.500 -0.116 0.000 0.712 197 K HN -0.068 8.144 8.250 -0.051 0.008 0.441 198 T N 2.183 116.527 114.554 -0.350 0.000 2.777 198 T HA -0.170 nan 4.350 nan 0.000 0.266 198 T C 2.333 176.863 174.700 -0.282 0.000 1.040 198 T CA 4.504 66.368 62.100 -0.393 0.000 1.141 198 T CB -0.231 68.262 68.868 -0.625 0.000 0.868 198 T HN -0.492 7.488 8.240 -0.433 0.000 0.444 199 V N 2.051 121.792 119.914 -0.288 0.000 2.427 199 V HA -0.407 nan 4.120 nan 0.000 0.248 199 V C 1.527 177.666 176.094 0.075 0.000 1.051 199 V CA 4.360 66.597 62.300 -0.104 0.000 1.048 199 V CB -1.009 30.753 31.823 -0.102 0.000 0.666 199 V HN 0.095 8.057 8.190 -0.380 0.000 0.456 200 E N -0.331 119.925 120.200 0.093 0.000 2.038 200 E HA -0.484 nan 4.350 nan 0.000 0.195 200 E C 1.864 178.475 176.600 0.019 0.000 1.000 200 E CA 3.598 60.077 56.400 0.132 0.000 0.803 200 E CB -0.239 29.515 29.700 0.090 0.000 0.750 200 E HN -0.064 8.311 8.360 0.045 0.012 0.448 201 E N -1.414 118.760 120.200 -0.043 0.000 2.051 201 E HA -0.263 nan 4.350 nan 0.000 0.192 201 E C 2.780 179.320 176.600 -0.100 0.000 0.991 201 E CA 3.034 59.390 56.400 -0.073 0.000 0.799 201 E CB 0.077 29.720 29.700 -0.095 0.000 0.748 201 E HN -0.568 7.754 8.360 -0.063 0.000 0.449 202 V N -0.163 119.684 119.914 -0.111 0.000 2.490 202 V HA -0.267 nan 4.120 nan 0.000 0.250 202 V C 2.459 178.350 176.094 -0.339 0.000 1.061 202 V CA 3.252 65.465 62.300 -0.144 0.000 1.064 202 V CB -0.878 30.904 31.823 -0.068 0.000 0.670 202 V HN -0.008 8.054 8.190 -0.100 0.068 0.461 203 G N -2.120 106.449 108.800 -0.385 0.000 2.471 203 G HA2 -0.265 nan 3.960 nan 0.000 0.219 203 G HA3 -0.265 nan 3.960 nan 0.000 0.219 203 G C 1.082 175.815 174.900 -0.279 0.000 1.125 203 G CA 1.594 46.323 45.100 -0.618 0.000 0.775 203 G HN 0.540 8.521 8.290 -0.148 0.220 0.548 204 R N 0.884 121.283 120.500 -0.169 0.000 2.120 204 R HA -0.249 nan 4.340 nan 0.000 0.234 204 R C 1.751 177.953 176.300 -0.163 0.000 1.123 204 R CA 2.088 58.117 56.100 -0.119 0.000 0.975 204 R CB -0.187 30.060 30.300 -0.089 0.000 0.866 204 R HN -0.386 7.635 8.270 -0.154 0.157 0.446 205 G N -3.346 105.310 108.800 -0.240 0.000 2.679 205 G HA2 -0.105 nan 3.960 nan 0.000 0.212 205 G HA3 -0.105 nan 3.960 nan 0.000 0.212 205 G C -1.149 173.377 174.900 -0.622 0.000 1.137 205 G CA 0.459 45.315 45.100 -0.406 0.000 0.787 205 G HN -0.435 7.698 8.290 -0.224 0.023 0.534 206 Y N -1.566 118.580 120.300 -0.257 0.000 2.748 206 Y HA 0.312 nan 4.550 nan 0.000 0.359 206 Y C -1.858 173.986 175.900 -0.093 0.000 1.030 206 Y CA -3.425 54.574 58.100 -0.168 0.000 1.169 206 Y CB -0.258 38.075 38.460 -0.211 0.000 1.127 206 Y HN -0.373 7.620 8.280 -0.155 0.194 0.644 207 P HA -0.207 nan 4.420 nan 0.000 0.219 207 P C -0.572 176.764 177.300 0.059 0.000 1.146 207 P CA 2.054 65.167 63.100 0.021 0.000 0.808 207 P CB -0.203 31.489 31.700 -0.013 0.000 0.779 208 D N -4.971 115.480 120.400 0.086 0.000 2.349 208 D HA -0.107 nan 4.640 nan 0.000 0.215 208 D C -0.497 175.878 176.300 0.126 0.000 1.016 208 D CA -0.368 53.688 54.000 0.092 0.000 0.870 208 D CB -0.071 40.778 40.800 0.082 0.000 0.917 208 D HN 0.313 8.698 8.370 0.092 0.040 0.524 209 V N 1.691 121.715 119.914 0.183 0.000 2.383 209 V HA 0.089 nan 4.120 nan 0.000 0.275 209 V C -0.780 175.442 176.094 0.214 0.000 1.036 209 V CA -0.956 61.474 62.300 0.216 0.000 0.889 209 V CB 0.000 32.021 31.823 0.330 0.000 0.985 209 V HN -0.666 7.491 8.190 0.201 0.154 0.459 210 A N 8.651 131.582 122.820 0.185 0.000 2.396 210 A HA 0.285 nan 4.320 nan 0.000 0.279 210 A C -2.110 175.618 177.584 0.239 0.000 1.165 210 A CA -0.173 51.973 52.037 0.183 0.000 0.824 210 A CB 0.466 19.546 19.000 0.133 0.000 1.100 210 A HN 0.636 8.889 8.150 0.171 0.000 0.516 211 L N 3.524 124.853 121.223 0.178 0.000 2.325 211 L HA 0.635 nan 4.340 nan 0.000 0.279 211 L C -1.122 175.761 176.870 0.021 0.000 1.054 211 L CA -0.873 54.021 54.840 0.089 0.000 0.804 211 L CB 2.519 44.651 42.059 0.122 0.000 1.200 211 L HN 0.064 8.388 8.230 0.158 0.000 0.436 212 E N 5.285 125.438 120.200 -0.077 0.000 2.356 212 E HA 0.235 nan 4.350 nan 0.000 0.275 212 E C -2.356 174.110 176.600 -0.225 0.000 0.904 212 E CA -1.385 54.991 56.400 -0.039 0.000 0.757 212 E CB 3.851 33.668 29.700 0.195 0.000 1.232 212 E HN 0.582 8.854 8.360 -0.148 0.000 0.442 213 H N 2.474 121.571 119.070 0.045 0.000 2.492 213 H HA 0.786 nan 4.556 nan 0.000 0.345 213 H C -0.505 174.768 175.328 -0.093 0.000 1.136 213 H CA -0.682 55.359 56.048 -0.010 0.000 1.202 213 H CB 1.897 31.645 29.762 -0.023 0.000 1.524 213 H HN 0.258 8.593 8.280 0.092 0.000 0.506 214 Q N 1.105 120.891 119.800 -0.022 0.000 2.377 214 Q HA 0.315 nan 4.340 nan 0.000 0.279 214 Q C -2.154 173.723 176.000 -0.204 0.000 1.049 214 Q CA -1.608 54.108 55.803 -0.144 0.000 0.825 214 Q CB 4.413 33.143 28.738 -0.013 0.000 1.401 214 Q HN 0.549 8.840 8.270 0.035 0.000 0.404 215 Y N -0.098 120.195 120.300 -0.012 0.000 2.304 215 Y HA 0.171 nan 4.550 nan 0.000 0.327 215 Y C 0.744 176.527 175.900 -0.195 0.000 1.209 215 Y CA 0.075 58.125 58.100 -0.083 0.000 1.299 215 Y CB 0.372 38.789 38.460 -0.072 0.000 1.249 215 Y HN 0.030 8.105 8.280 -0.342 0.000 0.519 216 V N 3.232 123.045 119.914 -0.170 0.000 2.324 216 V HA -0.473 nan 4.120 nan 0.000 0.250 216 V C 0.485 176.393 176.094 -0.309 0.000 1.060 216 V CA 3.643 65.700 62.300 -0.405 0.000 1.042 216 V CB -0.249 30.966 31.823 -1.012 0.000 0.650 216 V HN 0.427 8.530 8.190 -0.144 0.000 0.450 217 D N -3.053 117.207 120.400 -0.233 0.000 2.264 217 D HA -0.264 nan 4.640 nan 0.000 0.208 217 D C 1.285 177.481 176.300 -0.174 0.000 0.966 217 D CA 3.097 56.988 54.000 -0.182 0.000 0.864 217 D CB -0.968 39.748 40.800 -0.139 0.000 0.933 217 D HN 0.215 8.463 8.370 -0.204 0.000 0.499 218 A N -0.333 122.383 122.820 -0.173 0.000 1.935 218 A HA -0.093 nan 4.320 nan 0.000 0.214 218 A C 2.197 179.440 177.584 -0.569 0.000 1.178 218 A CA 2.336 54.178 52.037 -0.325 0.000 0.640 218 A CB -0.286 18.596 19.000 -0.196 0.000 0.825 218 A HN -0.539 7.404 8.150 -0.105 0.144 0.447 219 M N -0.979 118.417 119.600 -0.339 0.000 2.159 219 M HA -0.298 nan 4.480 nan 0.000 0.263 219 M C 2.084 178.251 176.300 -0.223 0.000 1.063 219 M CA 1.136 56.270 55.300 -0.276 0.000 1.110 219 M CB -1.029 31.413 32.600 -0.263 0.000 1.374 219 M HN -0.117 8.024 8.290 -0.249 0.000 0.411 220 A N -0.751 121.943 122.820 -0.209 0.000 1.948 220 A HA -0.328 nan 4.320 nan 0.000 0.220 220 A C 1.853 179.379 177.584 -0.097 0.000 1.177 220 A CA 3.421 55.373 52.037 -0.143 0.000 0.636 220 A CB -0.992 17.925 19.000 -0.139 0.000 0.815 220 A HN -0.296 7.707 8.150 -0.231 0.008 0.449 221 M N -3.453 116.067 119.600 -0.134 0.000 2.160 221 M HA -0.286 nan 4.480 nan 0.000 0.264 221 M C 2.323 178.669 176.300 0.077 0.000 1.073 221 M CA 3.751 59.016 55.300 -0.057 0.000 1.142 221 M CB -0.051 32.489 32.600 -0.101 0.000 1.358 221 M HN -0.791 7.258 8.290 -0.219 0.109 0.422 222 H N -0.246 118.863 119.070 0.065 0.000 2.387 222 H HA -0.219 nan 4.556 nan 0.000 0.299 222 H C 2.960 178.427 175.328 0.232 0.000 1.099 222 H CA 2.345 58.506 56.048 0.188 0.000 1.315 222 H CB -0.490 29.460 29.762 0.315 0.000 1.380 222 H HN -0.155 7.913 8.280 -0.239 0.068 0.513 223 L N -2.550 118.791 121.223 0.197 0.000 2.265 223 L HA -0.238 nan 4.340 nan 0.000 0.215 223 L C 1.354 178.292 176.870 0.113 0.000 1.117 223 L CA 2.801 57.718 54.840 0.128 0.000 0.782 223 L CB -0.179 41.869 42.059 -0.019 0.000 0.914 223 L HN 0.400 8.573 8.230 0.077 0.103 0.441 224 V N -3.152 116.818 119.914 0.093 0.000 2.685 224 V HA -0.086 nan 4.120 nan 0.000 0.244 224 V C 0.947 177.086 176.094 0.076 0.000 1.054 224 V CA 1.911 64.250 62.300 0.064 0.000 1.076 224 V CB 0.224 32.068 31.823 0.036 0.000 0.725 224 V HN -0.560 7.538 8.190 0.094 0.149 0.467 225 R N -2.286 118.278 120.500 0.107 0.000 2.057 225 R HA -0.046 nan 4.340 nan 0.000 0.224 225 R C 0.722 177.066 176.300 0.072 0.000 1.136 225 R CA 2.030 58.183 56.100 0.088 0.000 0.968 225 R CB 1.134 31.500 30.300 0.109 0.000 0.863 225 R HN 0.030 8.384 8.270 0.140 0.000 0.433 226 S N -3.828 111.934 115.700 0.104 0.000 2.300 226 S HA 0.503 nan 4.470 nan 0.000 0.172 226 S C -1.208 173.430 174.600 0.064 0.000 1.484 226 S CA -2.884 55.333 58.200 0.028 0.000 1.265 226 S CB 0.041 63.197 63.200 -0.073 0.000 1.313 226 S HN -0.263 8.156 8.310 0.182 0.000 0.387 227 P HA -0.135 nan 4.420 nan 0.000 0.222 227 P C 0.568 177.948 177.300 0.134 0.000 1.147 227 P CA 1.777 65.023 63.100 0.243 0.000 0.790 227 P CB -0.205 31.584 31.700 0.149 0.000 0.780 228 A N -1.843 120.983 122.820 0.010 0.000 2.168 228 A HA -0.109 nan 4.320 nan 0.000 0.215 228 A C 1.090 178.613 177.584 -0.102 0.000 1.152 228 A CA 1.791 53.810 52.037 -0.030 0.000 0.716 228 A CB -0.730 18.249 19.000 -0.036 0.000 0.794 228 A HN 0.403 8.513 8.150 0.001 0.041 0.465 229 R N -3.741 116.599 120.500 -0.267 0.000 2.246 229 R HA -0.046 nan 4.340 nan 0.000 0.199 229 R C 0.444 176.532 176.300 -0.353 0.000 0.984 229 R CA 0.554 56.420 56.100 -0.390 0.000 1.015 229 R CB 0.406 30.365 30.300 -0.568 0.000 0.930 229 R HN -0.617 7.405 8.270 -0.320 0.056 0.475 230 F N -0.495 119.494 119.950 0.064 0.000 2.382 230 F HA 0.036 nan 4.527 nan 0.000 0.331 230 F C -0.284 175.550 175.800 0.057 0.000 1.121 230 F CA 0.202 58.256 58.000 0.090 0.000 1.183 230 F CB 0.696 39.713 39.000 0.027 0.000 1.207 230 F HN -0.851 7.301 8.300 -0.183 0.038 0.555 231 D N 1.045 121.577 120.400 0.221 0.000 3.051 231 D HA 0.233 nan 4.640 nan 0.000 0.216 231 D C -1.192 175.108 176.300 -0.000 0.000 1.454 231 D CA 0.136 54.188 54.000 0.086 0.000 1.400 231 D CB 2.109 42.959 40.800 0.083 0.000 0.975 231 D HN 0.103 8.594 8.370 0.202 0.000 0.212 232 V N -0.079 119.773 119.914 -0.103 0.000 2.427 232 V HA 0.494 nan 4.120 nan 0.000 0.286 232 V C -1.006 174.969 176.094 -0.198 0.000 1.034 232 V CA -0.574 61.643 62.300 -0.138 0.000 0.893 232 V CB 1.175 32.895 31.823 -0.172 0.000 0.982 232 V HN -0.435 7.656 8.190 -0.166 0.000 0.452 233 V N 7.307 127.128 119.914 -0.155 0.000 2.448 233 V HA 0.655 nan 4.120 nan 0.000 0.295 233 V C -2.012 174.009 176.094 -0.121 0.000 1.025 233 V CA -1.218 60.981 62.300 -0.169 0.000 0.859 233 V CB 1.812 33.528 31.823 -0.178 0.000 0.988 233 V HN 0.471 8.590 8.190 -0.118 0.000 0.431 234 V N 9.004 128.860 119.914 -0.096 0.000 2.495 234 V HA 0.887 nan 4.120 nan 0.000 0.298 234 V C -2.575 173.590 176.094 0.119 0.000 1.031 234 V CA -1.971 60.334 62.300 0.009 0.000 0.871 234 V CB 3.193 35.001 31.823 -0.025 0.000 0.988 234 V HN 0.696 8.814 8.190 -0.120 0.000 0.432 235 T N 8.415 123.036 114.554 0.111 0.000 2.693 235 T HA 0.625 nan 4.350 nan 0.000 0.304 235 T C -1.411 173.108 174.700 -0.301 0.000 1.471 235 T CA -0.940 61.075 62.100 -0.142 0.000 0.993 235 T CB 3.420 72.216 68.868 -0.120 0.000 1.554 235 T HN 0.131 8.438 8.240 0.112 0.000 0.496 236 G N -0.618 107.757 108.800 -0.709 0.000 2.588 236 G HA2 0.305 nan 3.960 nan 0.000 0.278 236 G HA3 0.305 nan 3.960 nan 0.000 0.278 236 G C -0.525 174.259 174.900 -0.192 0.000 1.307 236 G CA -0.662 44.135 45.100 -0.505 0.000 1.016 236 G HN 0.220 8.027 8.290 -0.804 0.000 0.503 237 N N 1.608 120.246 118.700 -0.103 0.000 1.997 237 N HA -0.344 nan 4.740 nan 0.000 0.198 237 N C 2.224 177.538 175.510 -0.326 0.000 1.063 237 N CA 3.521 56.461 53.050 -0.183 0.000 0.860 237 N CB -0.100 38.212 38.487 -0.292 0.000 1.063 237 N HN -0.160 8.261 8.380 0.068 0.000 0.424 238 I N -1.013 119.177 120.570 -0.633 0.000 2.286 238 I HA -0.339 nan 4.170 nan 0.000 0.248 238 I C 1.372 177.495 176.117 0.011 0.000 1.115 238 I CA 3.161 64.218 61.300 -0.406 0.000 1.392 238 I CB -0.004 37.716 38.000 -0.466 0.000 1.065 238 I HN 0.043 7.789 8.210 -0.773 0.000 0.418 239 F N -1.958 117.872 119.950 -0.200 0.000 2.171 239 F HA -0.228 nan 4.527 nan 0.000 0.300 239 F C 2.056 177.774 175.800 -0.136 0.000 1.090 239 F CA 1.279 59.179 58.000 -0.167 0.000 1.293 239 F CB -1.701 37.165 39.000 -0.224 0.000 1.013 239 F HN -0.233 7.901 8.300 -0.277 0.000 0.486 240 G N -0.876 107.960 108.800 0.060 0.000 2.408 240 G HA2 -0.375 nan 3.960 nan 0.000 0.217 240 G HA3 -0.375 nan 3.960 nan 0.000 0.217 240 G C 1.196 176.115 174.900 0.031 0.000 1.150 240 G CA 1.881 46.993 45.100 0.020 0.000 0.776 240 G HN 0.319 8.507 8.290 0.001 0.102 0.542 241 D N 2.976 123.411 120.400 0.058 0.000 2.078 241 D HA -0.208 nan 4.640 nan 0.000 0.193 241 D C 2.382 178.713 176.300 0.052 0.000 0.990 241 D CA 3.464 57.512 54.000 0.080 0.000 0.827 241 D CB -0.116 40.776 40.800 0.154 0.000 0.975 241 D HN -0.503 7.804 8.370 0.050 0.093 0.451 242 I N -0.094 120.510 120.570 0.056 0.000 2.118 242 I HA -0.554 nan 4.170 nan 0.000 0.241 242 I C 2.184 178.294 176.117 -0.011 0.000 1.070 242 I CA 4.092 65.406 61.300 0.024 0.000 1.327 242 I CB -0.068 37.943 38.000 0.019 0.000 1.034 242 I HN -0.307 7.953 8.210 0.083 0.000 0.405 243 L N -2.397 118.810 121.223 -0.027 0.000 2.046 243 L HA -0.437 nan 4.340 nan 0.000 0.208 243 L C 2.367 179.211 176.870 -0.043 0.000 1.077 243 L CA 3.398 58.203 54.840 -0.059 0.000 0.747 243 L CB -0.671 41.334 42.059 -0.090 0.000 0.896 243 L HN 0.246 8.471 8.230 -0.009 0.000 0.432 244 S N -0.626 115.060 115.700 -0.023 0.000 2.402 244 S HA -0.305 nan 4.470 nan 0.000 0.229 244 S C 2.497 177.091 174.600 -0.009 0.000 1.021 244 S CA 3.695 61.885 58.200 -0.017 0.000 0.974 244 S CB -0.709 62.486 63.200 -0.007 0.000 0.800 244 S HN 0.158 8.353 8.310 -0.011 0.109 0.484 245 D N 3.411 123.811 120.400 -0.001 0.000 2.149 245 D HA -0.119 nan 4.640 nan 0.000 0.201 245 D C 2.036 178.333 176.300 -0.005 0.000 0.972 245 D CA 2.930 56.931 54.000 0.003 0.000 0.835 245 D CB -0.209 40.597 40.800 0.010 0.000 0.966 245 D HN -0.065 8.306 8.370 0.003 0.000 0.476 246 L N -0.063 121.151 121.223 -0.014 0.000 1.989 246 L HA -0.293 nan 4.340 nan 0.000 0.211 246 L C 1.795 178.655 176.870 -0.016 0.000 1.071 246 L CA 2.946 57.775 54.840 -0.019 0.000 0.749 246 L CB -0.440 41.598 42.059 -0.035 0.000 0.890 246 L HN -0.177 8.043 8.230 -0.017 0.000 0.431 247 A N -3.207 119.600 122.820 -0.023 0.000 2.125 247 A HA -0.227 nan 4.320 nan 0.000 0.219 247 A C 1.733 179.309 177.584 -0.013 0.000 1.156 247 A CA 2.725 54.751 52.037 -0.018 0.000 0.671 247 A CB -1.160 17.823 19.000 -0.027 0.000 0.794 247 A HN 0.040 8.172 8.150 -0.030 0.000 0.459 248 S N -1.413 114.281 115.700 -0.009 0.000 2.382 248 S HA -0.221 nan 4.470 nan 0.000 0.228 248 S C 1.845 176.445 174.600 -0.000 0.000 1.027 248 S CA 3.458 61.656 58.200 -0.003 0.000 0.991 248 S CB 0.125 63.328 63.200 0.005 0.000 0.823 248 S HN -0.667 7.464 8.310 -0.009 0.173 0.469 249 V N -2.703 117.211 119.914 0.000 0.000 2.626 249 V HA -0.175 nan 4.120 nan 0.000 0.252 249 V C 0.979 177.073 176.094 0.001 0.000 1.067 249 V CA 2.749 65.050 62.300 0.003 0.000 1.081 249 V CB -0.662 31.163 31.823 0.003 0.000 0.686 249 V HN -0.633 7.543 8.190 -0.002 0.014 0.468 250 L N -1.127 120.095 121.223 -0.002 0.000 1.978 250 L HA -0.094 nan 4.340 nan 0.000 0.218 250 L C 0.517 177.380 176.870 -0.011 0.000 1.075 250 L CA 3.913 58.751 54.840 -0.004 0.000 0.767 250 L CB -3.125 38.932 42.059 -0.004 0.000 0.890 250 L HN -0.650 7.449 8.230 -0.004 0.128 0.434 251 P HA -0.066 nan 4.420 nan 0.000 0.223 251 P C 0.220 177.523 177.300 0.005 0.000 1.151 251 P CA 1.499 64.582 63.100 -0.028 0.000 0.787 251 P CB 0.259 31.924 31.700 -0.059 0.000 0.788 252 G N -3.635 105.170 108.800 0.009 0.000 3.154 252 G HA2 -0.110 nan 3.960 nan 0.000 0.114 252 G HA3 -0.110 nan 3.960 nan 0.000 0.114 252 G C -2.068 172.842 174.900 0.017 0.000 2.421 252 G CA -0.354 44.756 45.100 0.018 0.000 1.271 252 G HN -0.867 7.299 8.290 0.004 0.127 0.371 253 S N 1.604 117.317 115.700 0.022 0.000 2.532 253 S HA 0.387 nan 4.470 nan 0.000 0.301 253 S C 0.502 175.118 174.600 0.027 0.000 1.083 253 S CA -0.803 57.409 58.200 0.020 0.000 1.025 253 S CB 2.552 65.762 63.200 0.016 0.000 1.056 253 S HN -0.189 8.138 8.310 0.029 0.000 0.494 254 L N 5.309 126.548 121.223 0.027 0.000 2.093 254 L HA -0.032 nan 4.340 nan 0.000 0.208 254 L C 1.339 178.245 176.870 0.059 0.000 1.085 254 L CA 2.472 57.334 54.840 0.035 0.000 0.755 254 L CB -0.378 41.700 42.059 0.032 0.000 0.904 254 L HN 0.702 8.945 8.230 0.022 0.000 0.435 255 G N -3.828 105.010 108.800 0.064 0.000 2.653 255 G HA2 -0.183 nan 3.960 nan 0.000 0.212 255 G HA3 -0.183 nan 3.960 nan 0.000 0.212 255 G C 0.483 175.456 174.900 0.121 0.000 1.138 255 G CA 1.254 46.418 45.100 0.107 0.000 0.782 255 G HN 0.356 8.672 8.290 0.043 0.000 0.535 256 L N -2.184 119.087 121.223 0.081 0.000 2.607 256 L HA 0.119 nan 4.340 nan 0.000 0.228 256 L C -0.353 176.575 176.870 0.097 0.000 1.123 256 L CA -0.587 54.304 54.840 0.085 0.000 0.890 256 L CB -0.129 41.976 42.059 0.076 0.000 1.103 256 L HN -0.842 7.346 8.230 0.063 0.080 0.468 257 L N -0.412 120.857 121.223 0.077 0.000 2.309 257 L HA 0.557 nan 4.340 nan 0.000 0.282 257 L C -1.943 174.951 176.870 0.039 0.000 1.036 257 L CA -2.628 52.246 54.840 0.058 0.000 0.806 257 L CB 0.695 42.774 42.059 0.034 0.000 1.220 257 L HN -0.380 7.834 8.230 0.076 0.062 0.429 258 P HA 0.759 nan 4.420 nan 0.000 0.284 258 P C -1.634 175.682 177.300 0.026 0.000 1.287 258 P CA -1.581 61.544 63.100 0.043 0.000 0.824 258 P CB 1.235 32.986 31.700 0.085 0.000 1.180 259 S N -2.610 113.106 115.700 0.026 0.000 2.588 259 S HA 0.357 nan 4.470 nan 0.000 0.269 259 S C -2.069 172.513 174.600 -0.029 0.000 1.157 259 S CA -0.844 57.347 58.200 -0.016 0.000 0.824 259 S CB 3.002 66.174 63.200 -0.047 0.000 1.126 259 S HN -0.336 8.003 8.310 0.049 0.000 0.464 260 A N -0.567 122.169 122.820 -0.141 0.000 2.449 260 A HA 0.678 nan 4.320 nan 0.000 0.302 260 A C -2.207 175.151 177.584 -0.376 0.000 1.048 260 A CA -0.693 51.130 52.037 -0.357 0.000 0.708 260 A CB 3.000 21.802 19.000 -0.331 0.000 1.274 260 A HN 0.218 8.283 8.150 -0.140 0.000 0.410 261 S N 1.977 117.390 115.700 -0.479 0.000 2.566 261 S HA 0.887 nan 4.470 nan 0.000 0.324 261 S C -1.601 172.735 174.600 -0.440 0.000 1.081 261 S CA -0.920 57.059 58.200 -0.368 0.000 1.105 261 S CB 0.919 63.941 63.200 -0.296 0.000 0.981 261 S HN 0.765 8.577 8.310 -0.652 0.107 0.464 262 L N 4.626 125.599 121.223 -0.415 0.000 2.334 262 L HA 0.573 nan 4.340 nan 0.000 0.272 262 L C -1.227 175.257 176.870 -0.642 0.000 1.020 262 L CA -1.578 53.000 54.840 -0.436 0.000 0.812 262 L CB 2.298 44.153 42.059 -0.339 0.000 1.264 262 L HN 0.675 8.682 8.230 -0.372 0.000 0.439 263 G N -0.065 108.391 108.800 -0.572 0.000 2.562 263 G HA2 0.174 nan 3.960 nan 0.000 0.190 263 G HA3 0.174 nan 3.960 nan 0.000 0.190 263 G C -0.713 174.047 174.900 -0.232 0.000 1.196 263 G CA 1.114 45.770 45.100 -0.741 0.000 0.986 263 G HN -0.340 7.722 8.290 -0.380 0.000 0.512 264 R N 0.762 121.239 120.500 -0.038 0.000 2.140 264 R HA 0.234 nan 4.340 nan 0.000 0.213 264 R C 1.240 177.531 176.300 -0.015 0.000 1.059 264 R CA 0.038 56.160 56.100 0.035 0.000 1.000 264 R CB 0.646 31.007 30.300 0.101 0.000 0.910 264 R HN 0.139 8.300 8.270 -0.011 0.103 0.455 265 G N -2.183 106.589 108.800 -0.046 0.000 2.582 265 G HA2 0.361 nan 3.960 nan 0.000 0.232 265 G HA3 0.361 nan 3.960 nan 0.000 0.232 265 G C -1.168 173.687 174.900 -0.075 0.000 1.458 265 G CA -0.770 44.301 45.100 -0.048 0.000 1.062 265 G HN -0.146 8.106 8.290 -0.063 0.000 0.566 266 T N 2.917 117.429 114.554 -0.071 0.000 2.834 266 T HA 0.110 nan 4.350 nan 0.000 0.298 266 T C -1.462 173.153 174.700 -0.141 0.000 0.966 266 T CA -0.710 61.345 62.100 -0.075 0.000 1.141 266 T CB -0.491 68.349 68.868 -0.047 0.000 0.905 266 T HN -0.522 7.947 8.240 -0.056 -0.263 0.535 267 P HA 0.083 nan 4.420 nan 0.000 0.276 267 P C -1.818 175.195 177.300 -0.478 0.000 1.230 267 P CA -0.384 62.503 63.100 -0.354 0.000 0.776 267 P CB 0.705 32.233 31.700 -0.285 0.000 0.888 268 V N 2.781 122.310 119.914 -0.642 0.000 2.435 268 V HA 0.678 nan 4.120 nan 0.000 0.290 268 V C -1.089 174.531 176.094 -0.789 0.000 1.030 268 V CA -0.705 61.284 62.300 -0.519 0.000 0.881 268 V CB 1.670 33.285 31.823 -0.346 0.000 0.983 268 V HN 0.061 7.883 8.190 -0.614 0.000 0.445 269 F N 5.731 125.623 119.950 -0.095 0.000 2.493 269 F HA 0.697 nan 4.527 nan 0.000 0.329 269 F C -1.967 173.786 175.800 -0.078 0.000 1.126 269 F CA -1.657 56.298 58.000 -0.076 0.000 0.937 269 F CB 2.642 41.619 39.000 -0.039 0.000 1.146 269 F HN 0.707 9.045 8.300 0.063 0.000 0.442 270 E N 0.861 121.085 120.200 0.039 0.000 2.412 270 E HA 0.487 nan 4.350 nan 0.000 0.279 270 E C -2.640 173.922 176.600 -0.062 0.000 0.984 270 E CA -3.109 53.278 56.400 -0.020 0.000 0.788 270 E CB 2.154 31.815 29.700 -0.066 0.000 1.277 270 E HN 0.037 8.408 8.360 0.018 0.000 0.455 271 P HA -0.095 nan 4.420 nan 0.000 0.275 271 P C -0.901 176.238 177.300 -0.268 0.000 1.228 271 P CA -0.229 62.705 63.100 -0.276 0.000 0.786 271 P CB 0.650 31.951 31.700 -0.664 0.000 0.927 272 V N 1.004 120.817 119.914 -0.168 0.000 3.129 272 V HA -0.156 nan 4.120 nan 0.000 0.259 272 V C 0.699 176.767 176.094 -0.043 0.000 1.116 272 V CA 1.451 63.704 62.300 -0.079 0.000 1.127 272 V CB -0.564 31.248 31.823 -0.018 0.000 0.742 272 V HN 0.523 8.641 8.190 -0.119 0.000 0.474 273 H N 0.280 119.362 119.070 0.020 0.000 2.660 273 H HA 0.013 nan 4.556 nan 0.000 0.374 273 H C 0.312 175.654 175.328 0.023 0.000 1.291 273 H CA -1.393 54.665 56.048 0.018 0.000 1.437 273 H CB -0.083 29.687 29.762 0.013 0.000 1.509 273 H HN -0.292 7.764 8.280 -0.291 0.049 0.614 274 G N -3.317 105.663 108.800 0.300 0.000 2.557 274 G HA2 0.221 nan 3.960 nan 0.000 0.292 274 G HA3 0.221 nan 3.960 nan 0.000 0.292 274 G C 0.364 175.417 174.900 0.256 0.000 1.237 274 G CA -1.227 43.997 45.100 0.206 0.000 0.978 274 G HN -0.053 8.379 8.290 0.236 0.000 0.498 275 S N 0.063 115.860 115.700 0.161 0.000 2.481 275 S HA -0.262 nan 4.470 nan 0.000 0.231 275 S C 0.498 175.149 174.600 0.084 0.000 0.996 275 S CA 1.425 59.711 58.200 0.143 0.000 0.942 275 S CB -0.098 63.185 63.200 0.139 0.000 0.768 275 S HN 0.450 8.839 8.310 0.131 0.000 0.520 276 A N 0.748 123.600 122.820 0.053 0.000 2.312 276 A HA -0.226 nan 4.320 nan 0.000 0.286 276 A C -0.775 176.827 177.584 0.029 0.000 1.425 276 A CA -0.272 51.775 52.037 0.015 0.000 0.748 276 A CB -1.865 17.109 19.000 -0.042 0.000 1.126 276 A HN 0.225 8.370 8.150 0.068 0.046 0.368 277 P HA -0.255 nan 4.420 nan 0.000 0.215 277 P C 0.745 178.063 177.300 0.030 0.000 1.157 277 P CA 2.186 65.320 63.100 0.058 0.000 0.874 277 P CB -0.541 31.200 31.700 0.067 0.000 0.790 278 D N -2.634 117.775 120.400 0.015 0.000 2.309 278 D HA -0.211 nan 4.640 nan 0.000 0.212 278 D C 0.878 177.179 176.300 0.002 0.000 0.968 278 D CA 2.546 56.548 54.000 0.004 0.000 0.882 278 D CB -0.768 40.031 40.800 -0.001 0.000 0.918 278 D HN 0.408 8.788 8.370 0.016 0.000 0.503 279 I N -1.856 118.715 120.570 0.001 0.000 3.976 279 I HA 0.033 nan 4.170 nan 0.000 0.337 279 I C -2.057 174.061 176.117 0.001 0.000 1.359 279 I CA -2.113 59.183 61.300 -0.005 0.000 1.098 279 I CB 0.546 38.534 38.000 -0.020 0.000 1.027 279 I HN -0.768 7.398 8.210 0.003 0.046 0.394 280 A N -0.704 122.125 122.820 0.015 0.000 2.462 280 A HA 0.011 nan 4.320 nan 0.000 0.243 280 A C 0.702 178.302 177.584 0.026 0.000 1.076 280 A CA 0.429 52.482 52.037 0.027 0.000 0.773 280 A CB -0.022 19.007 19.000 0.048 0.000 1.010 280 A HN -0.461 7.519 8.150 0.018 0.181 0.493 281 G N 1.097 109.915 108.800 0.029 0.000 2.179 281 G HA2 -0.387 nan 3.960 nan 0.000 0.257 281 G HA3 -0.387 nan 3.960 nan 0.000 0.257 281 G C -0.362 174.550 174.900 0.020 0.000 1.010 281 G CA 1.297 46.414 45.100 0.028 0.000 0.736 281 G HN 0.491 9.127 8.290 0.033 -0.326 0.513 282 K N -2.025 118.384 120.400 0.015 0.000 2.438 282 K HA 0.149 nan 4.320 nan 0.000 0.206 282 K C -0.061 176.545 176.600 0.010 0.000 1.081 282 K CA -0.874 55.420 56.287 0.011 0.000 1.053 282 K CB 0.634 33.137 32.500 0.005 0.000 0.908 282 K HN -0.497 7.731 8.250 0.013 0.030 0.556 283 G N -0.036 108.771 108.800 0.013 0.000 2.512 283 G HA2 -0.328 nan 3.960 nan 0.000 0.254 283 G HA3 -0.328 nan 3.960 nan 0.000 0.254 283 G C 0.424 175.325 174.900 0.001 0.000 1.199 283 G CA 0.267 45.376 45.100 0.014 0.000 0.941 283 G HN -0.619 7.827 8.290 0.015 -0.146 0.569 284 I N -2.214 118.356 120.570 -0.000 0.000 3.918 284 I HA -0.468 nan 4.170 nan 0.000 0.140 284 I C -1.371 174.718 176.117 -0.046 0.000 0.414 284 I CA 1.036 62.325 61.300 -0.018 0.000 1.224 284 I CB -0.685 37.304 38.000 -0.018 0.000 1.076 284 I HN 0.102 8.318 8.210 0.010 0.000 0.213 285 A N 0.024 122.815 122.820 -0.049 0.000 2.546 285 A HA -0.152 nan 4.320 nan 0.000 0.243 285 A C -0.997 176.522 177.584 -0.108 0.000 1.063 285 A CA 0.235 52.221 52.037 -0.085 0.000 0.757 285 A CB -0.074 18.885 19.000 -0.068 0.000 0.991 285 A HN -0.225 7.797 8.150 -0.030 0.110 0.503 286 N N 3.692 122.294 118.700 -0.163 0.000 2.401 286 N HA 0.096 nan 4.740 nan 0.000 0.255 286 N C -0.591 174.831 175.510 -0.146 0.000 1.110 286 N CA -2.787 50.123 53.050 -0.234 0.000 0.949 286 N CB 0.668 39.005 38.487 -0.250 0.000 1.110 286 N HN 0.243 8.520 8.380 -0.171 0.000 0.490 287 P HA 0.206 nan 4.420 nan 0.000 0.257 287 P C 0.008 177.352 177.300 0.073 0.000 1.281 287 P CA 0.301 63.423 63.100 0.036 0.000 0.826 287 P CB 0.277 32.032 31.700 0.091 0.000 1.237 288 T N 2.473 117.019 114.554 -0.013 0.000 2.665 288 T HA -0.310 nan 4.350 nan 0.000 0.268 288 T C 1.637 176.408 174.700 0.119 0.000 1.035 288 T CA 5.165 67.314 62.100 0.081 0.000 1.151 288 T CB -0.565 68.303 68.868 0.000 0.000 0.862 288 T HN 0.238 8.295 8.240 -0.172 0.080 0.438 289 A N -0.221 122.671 122.820 0.120 0.000 1.930 289 A HA -0.233 nan 4.320 nan 0.000 0.217 289 A C 1.536 179.168 177.584 0.080 0.000 1.175 289 A CA 2.954 55.056 52.037 0.109 0.000 0.627 289 A CB -0.903 18.171 19.000 0.122 0.000 0.815 289 A HN 0.292 8.516 8.150 0.123 0.000 0.443 290 A N -0.765 122.114 122.820 0.099 0.000 1.873 290 A HA -0.235 nan 4.320 nan 0.000 0.215 290 A C 2.219 179.843 177.584 0.067 0.000 1.186 290 A CA 2.767 54.849 52.037 0.075 0.000 0.616 290 A CB -0.745 18.314 19.000 0.098 0.000 0.823 290 A HN -0.708 7.417 8.150 0.137 0.107 0.442 291 I N -1.640 118.981 120.570 0.086 0.000 2.226 291 I HA -0.550 nan 4.170 nan 0.000 0.245 291 I C 2.027 178.183 176.117 0.063 0.000 1.100 291 I CA 4.207 65.551 61.300 0.073 0.000 1.374 291 I CB -0.170 37.895 38.000 0.107 0.000 1.057 291 I HN 0.046 8.321 8.210 0.107 0.000 0.413 292 L N -1.414 119.863 121.223 0.089 0.000 2.141 292 L HA -0.421 nan 4.340 nan 0.000 0.209 292 L C 2.450 179.370 176.870 0.084 0.000 1.094 292 L CA 3.271 58.171 54.840 0.099 0.000 0.763 292 L CB -0.799 41.345 42.059 0.142 0.000 0.908 292 L HN 0.212 8.505 8.230 0.105 0.000 0.437 293 S N -0.039 115.706 115.700 0.076 0.000 2.368 293 S HA -0.315 nan 4.470 nan 0.000 0.224 293 S C 1.957 176.561 174.600 0.007 0.000 1.029 293 S CA 3.898 62.152 58.200 0.090 0.000 0.988 293 S CB -0.492 62.764 63.200 0.094 0.000 0.838 293 S HN -0.100 8.150 8.310 0.073 0.105 0.462 294 A N 0.458 123.267 122.820 -0.018 0.000 1.969 294 A HA -0.189 nan 4.320 nan 0.000 0.218 294 A C 1.562 179.091 177.584 -0.092 0.000 1.169 294 A CA 2.877 54.866 52.037 -0.080 0.000 0.635 294 A CB -0.893 18.080 19.000 -0.046 0.000 0.810 294 A HN -0.267 7.807 8.150 0.015 0.085 0.445 295 A N -1.334 121.469 122.820 -0.028 0.000 1.930 295 A HA -0.274 nan 4.320 nan 0.000 0.217 295 A C 2.103 179.684 177.584 -0.006 0.000 1.175 295 A CA 2.963 54.996 52.037 -0.007 0.000 0.627 295 A CB -0.805 18.215 19.000 0.034 0.000 0.815 295 A HN -0.098 7.950 8.150 0.002 0.104 0.443 296 M N -1.331 118.280 119.600 0.018 0.000 2.159 296 M HA -0.433 nan 4.480 nan 0.000 0.263 296 M C 1.952 178.195 176.300 -0.096 0.000 1.063 296 M CA 3.941 59.321 55.300 0.132 0.000 1.110 296 M CB 0.062 32.814 32.600 0.255 0.000 1.374 296 M HN -0.073 8.147 8.290 0.028 0.086 0.411 297 M N 0.971 120.156 119.600 -0.692 0.000 2.080 297 M HA -0.398 nan 4.480 nan 0.000 0.260 297 M C 2.088 178.188 176.300 -0.333 0.000 1.068 297 M CA 4.102 58.636 55.300 -1.276 0.000 1.109 297 M CB -0.054 31.893 32.600 -1.088 0.000 1.342 297 M HN -0.208 7.686 8.290 -0.530 0.078 0.405 298 L N -1.773 119.398 121.223 -0.086 0.000 2.042 298 L HA -0.429 nan 4.340 nan 0.000 0.210 298 L C 1.867 178.767 176.870 0.050 0.000 1.076 298 L CA 3.158 58.056 54.840 0.096 0.000 0.749 298 L CB -1.244 40.826 42.059 0.020 0.000 0.893 298 L HN -0.245 7.898 8.230 -0.145 0.000 0.432 299 E N -1.412 118.765 120.200 -0.038 0.000 2.033 299 E HA -0.309 nan 4.350 nan 0.000 0.189 299 E C 2.988 179.460 176.600 -0.215 0.000 0.979 299 E CA 3.014 59.336 56.400 -0.130 0.000 0.802 299 E CB 0.162 29.742 29.700 -0.201 0.000 0.763 299 E HN -0.545 7.698 8.360 -0.041 0.092 0.449 300 H N -1.057 118.016 119.070 0.004 0.000 2.448 300 H HA -0.059 nan 4.556 nan 0.000 0.292 300 H C 1.329 176.646 175.328 -0.019 0.000 1.035 300 H CA 2.661 58.738 56.048 0.048 0.000 1.349 300 H CB 0.408 30.281 29.762 0.185 0.000 1.425 300 H HN 0.393 8.605 8.280 0.067 0.108 0.539 301 A N -2.601 120.175 122.820 -0.073 0.000 2.063 301 A HA 0.002 nan 4.320 nan 0.000 0.211 301 A C 0.175 177.289 177.584 -0.784 0.000 1.177 301 A CA 2.055 53.822 52.037 -0.451 0.000 0.759 301 A CB 0.799 19.392 19.000 -0.679 0.000 0.857 301 A HN -0.025 7.944 8.150 -0.122 0.108 0.468 302 F N -4.921 115.036 119.950 0.011 0.000 2.746 302 F HA 0.315 nan 4.527 nan 0.000 0.320 302 F C 0.464 176.255 175.800 -0.015 0.000 1.097 302 F CA -0.268 57.730 58.000 -0.004 0.000 1.195 302 F CB 0.705 39.691 39.000 -0.023 0.000 1.056 302 F HN -0.392 7.799 8.300 -0.182 0.000 0.562 303 G N -0.846 107.992 108.800 0.064 0.000 2.189 303 G HA2 -0.436 nan 3.960 nan 0.000 0.267 303 G HA3 -0.436 nan 3.960 nan 0.000 0.267 303 G C -0.091 174.825 174.900 0.026 0.000 0.975 303 G CA 0.844 45.958 45.100 0.023 0.000 0.644 303 G HN -0.517 7.696 8.290 0.005 0.080 0.537 304 L N 2.069 123.327 121.223 0.058 0.000 2.388 304 L HA 0.010 nan 4.340 nan 0.000 0.252 304 L C 0.675 177.546 176.870 0.001 0.000 1.357 304 L CA -0.812 54.046 54.840 0.031 0.000 1.214 304 L CB -2.895 39.185 42.059 0.036 0.000 1.392 304 L HN -0.130 8.098 8.230 0.113 0.071 0.432 305 V N 3.840 123.745 119.914 -0.014 0.000 2.255 305 V HA -0.545 nan 4.120 nan 0.000 0.247 305 V C 2.029 178.117 176.094 -0.010 0.000 1.051 305 V CA 4.909 67.193 62.300 -0.026 0.000 1.018 305 V CB -0.451 31.354 31.823 -0.030 0.000 0.641 305 V HN 0.296 8.434 8.190 -0.010 0.046 0.445 306 E N -1.294 118.904 120.200 -0.004 0.000 2.160 306 E HA -0.323 nan 4.350 nan 0.000 0.195 306 E C 2.633 179.231 176.600 -0.004 0.000 0.991 306 E CA 3.267 59.666 56.400 -0.001 0.000 0.810 306 E CB -0.719 28.980 29.700 -0.001 0.000 0.742 306 E HN 0.236 8.594 8.360 -0.004 0.000 0.466 307 L N -1.853 119.367 121.223 -0.006 0.000 2.109 307 L HA -0.265 nan 4.340 nan 0.000 0.207 307 L C 1.497 178.360 176.870 -0.010 0.000 1.086 307 L CA 2.338 57.172 54.840 -0.010 0.000 0.760 307 L CB -0.366 41.685 42.059 -0.013 0.000 0.910 307 L HN -0.722 7.486 8.230 -0.004 0.020 0.437 308 A N -0.327 122.489 122.820 -0.005 0.000 1.877 308 A HA -0.328 nan 4.320 nan 0.000 0.216 308 A C 2.141 179.731 177.584 0.009 0.000 1.186 308 A CA 3.320 55.358 52.037 0.002 0.000 0.620 308 A CB -0.821 18.181 19.000 0.004 0.000 0.822 308 A HN -0.151 7.907 8.150 -0.006 0.088 0.443 309 R N -2.652 117.854 120.500 0.011 0.000 2.096 309 R HA -0.303 nan 4.340 nan 0.000 0.235 309 R C 2.345 178.636 176.300 -0.016 0.000 1.127 309 R CA 2.059 58.167 56.100 0.015 0.000 0.968 309 R CB -0.650 29.661 30.300 0.018 0.000 0.861 309 R HN 0.095 8.369 8.270 0.007 0.000 0.440 310 K N 0.313 120.702 120.400 -0.018 0.000 2.026 310 K HA -0.220 nan 4.320 nan 0.000 0.208 310 K C 2.355 178.927 176.600 -0.047 0.000 1.048 310 K CA 3.490 59.759 56.287 -0.029 0.000 0.929 310 K CB -0.048 32.441 32.500 -0.020 0.000 0.713 310 K HN -0.361 7.783 8.250 -0.011 0.100 0.439 311 V N -2.568 117.322 119.914 -0.040 0.000 2.871 311 V HA -0.190 nan 4.120 nan 0.000 0.256 311 V C 1.480 177.521 176.094 -0.088 0.000 1.082 311 V CA 3.008 65.278 62.300 -0.049 0.000 1.105 311 V CB -0.825 30.982 31.823 -0.027 0.000 0.713 311 V HN -0.276 7.898 8.190 -0.027 0.000 0.473 312 E N 0.828 120.970 120.200 -0.098 0.000 2.072 312 E HA -0.421 nan 4.350 nan 0.000 0.191 312 E C 1.804 178.147 176.600 -0.428 0.000 0.985 312 E CA 3.530 59.804 56.400 -0.210 0.000 0.801 312 E CB -0.387 29.273 29.700 -0.067 0.000 0.750 312 E HN -0.141 8.071 8.360 -0.056 0.114 0.452 313 D N -0.541 119.693 120.400 -0.276 0.000 2.144 313 D HA -0.233 nan 4.640 nan 0.000 0.199 313 D C 1.779 177.907 176.300 -0.287 0.000 0.984 313 D CA 3.146 56.980 54.000 -0.277 0.000 0.834 313 D CB -0.064 40.649 40.800 -0.145 0.000 0.955 313 D HN -0.287 7.982 8.370 -0.168 0.000 0.465 314 A N -1.241 121.451 122.820 -0.213 0.000 1.902 314 A HA -0.228 nan 4.320 nan 0.000 0.217 314 A C 2.252 179.678 177.584 -0.264 0.000 1.181 314 A CA 3.239 55.156 52.037 -0.199 0.000 0.623 314 A CB -0.568 18.385 19.000 -0.079 0.000 0.818 314 A HN -0.414 7.558 8.150 -0.163 0.080 0.443 315 V N -4.814 114.971 119.914 -0.216 0.000 2.548 315 V HA -0.267 nan 4.120 nan 0.000 0.249 315 V C 1.567 177.569 176.094 -0.154 0.000 1.055 315 V CA 2.631 64.851 62.300 -0.133 0.000 1.065 315 V CB -1.356 30.480 31.823 0.022 0.000 0.681 315 V HN -0.311 7.756 8.190 -0.205 0.000 0.462 316 A N 0.907 123.525 122.820 -0.337 0.000 1.877 316 A HA -0.320 nan 4.320 nan 0.000 0.216 316 A C 2.022 179.487 177.584 -0.197 0.000 1.186 316 A CA 3.457 55.311 52.037 -0.306 0.000 0.620 316 A CB -0.713 17.979 19.000 -0.513 0.000 0.822 316 A HN -0.089 7.715 8.150 -0.447 0.078 0.443 317 K N -1.981 118.229 120.400 -0.317 0.000 2.026 317 K HA -0.343 nan 4.320 nan 0.000 0.208 317 K C 2.157 178.574 176.600 -0.305 0.000 1.048 317 K CA 3.199 59.250 56.287 -0.394 0.000 0.929 317 K CB -0.065 31.921 32.500 -0.857 0.000 0.713 317 K HN -0.111 7.917 8.250 -0.370 0.000 0.439 318 A N -0.283 122.337 122.820 -0.335 0.000 1.908 318 A HA -0.213 nan 4.320 nan 0.000 0.218 318 A C 2.521 180.086 177.584 -0.032 0.000 1.181 318 A CA 3.002 54.844 52.037 -0.324 0.000 0.627 318 A CB -0.916 17.605 19.000 -0.798 0.000 0.818 318 A HN -0.183 7.669 8.150 -0.389 0.065 0.445 319 L N -2.965 118.356 121.223 0.163 0.000 2.131 319 L HA -0.397 nan 4.340 nan 0.000 0.210 319 L C 2.009 178.969 176.870 0.150 0.000 1.092 319 L CA 2.798 57.819 54.840 0.302 0.000 0.759 319 L CB -0.254 41.944 42.059 0.231 0.000 0.903 319 L HN 0.021 8.294 8.230 0.073 0.000 0.435 320 L N -1.544 119.718 121.223 0.065 0.000 2.023 320 L HA -0.326 nan 4.340 nan 0.000 0.205 320 L C 1.709 178.605 176.870 0.043 0.000 1.073 320 L CA 2.536 57.401 54.840 0.041 0.000 0.745 320 L CB 0.230 42.292 42.059 0.004 0.000 0.900 320 L HN -0.516 7.627 8.230 0.023 0.100 0.435 321 E N -2.708 117.508 120.200 0.026 0.000 2.028 321 E HA -0.141 nan 4.350 nan 0.000 0.190 321 E C 0.689 177.324 176.600 0.058 0.000 0.984 321 E CA 1.907 58.329 56.400 0.038 0.000 0.800 321 E CB 0.859 30.585 29.700 0.044 0.000 0.758 321 E HN -0.049 8.306 8.360 -0.007 0.000 0.448 322 T N -3.815 110.784 114.554 0.077 0.000 3.427 322 T HA 0.403 nan 4.350 nan 0.000 0.306 322 T C -2.400 172.454 174.700 0.257 0.000 1.733 322 T CA -2.991 59.184 62.100 0.125 0.000 1.599 322 T CB -0.123 68.801 68.868 0.092 0.000 0.964 322 T HN -0.193 7.971 8.240 0.052 0.107 0.701 323 P HA 0.185 nan 4.420 nan 0.000 0.265 323 P C -1.809 175.560 177.300 0.115 0.000 1.193 323 P CA -1.526 61.681 63.100 0.178 0.000 0.765 323 P CB -0.521 31.239 31.700 0.101 0.000 0.823 324 P HA 0.230 nan 4.420 nan 0.000 0.274 324 P C -0.390 176.889 177.300 -0.035 0.000 1.246 324 P CA -1.947 61.119 63.100 -0.057 0.000 0.795 324 P CB -0.684 30.863 31.700 -0.254 0.000 1.006 325 P HA -0.268 nan 4.420 nan 0.000 0.216 325 P C 0.730 178.014 177.300 -0.028 0.000 1.157 325 P CA 3.094 66.182 63.100 -0.021 0.000 0.880 325 P CB -0.062 31.625 31.700 -0.022 0.000 0.791 326 D N -4.337 116.034 120.400 -0.048 0.000 2.403 326 D HA -0.215 nan 4.640 nan 0.000 0.227 326 D C 0.288 176.570 176.300 -0.030 0.000 0.995 326 D CA 2.003 55.977 54.000 -0.043 0.000 0.928 326 D CB -1.061 39.702 40.800 -0.062 0.000 0.887 326 D HN 0.312 8.641 8.370 -0.067 0.000 0.529 327 L N -2.491 118.717 121.223 -0.024 0.000 3.267 327 L HA 0.267 nan 4.340 nan 0.000 0.289 327 L C -0.173 176.701 176.870 0.007 0.000 1.260 327 L CA -0.583 54.254 54.840 -0.005 0.000 1.034 327 L CB 0.472 42.531 42.059 -0.001 0.000 1.413 327 L HN -0.364 7.648 8.230 -0.029 0.201 0.594 328 G N -0.016 108.786 108.800 0.003 0.000 2.422 328 G HA2 -0.310 nan 3.960 nan 0.000 0.290 328 G HA3 -0.310 nan 3.960 nan 0.000 0.290 328 G C -0.958 173.952 174.900 0.018 0.000 1.059 328 G CA -0.015 45.091 45.100 0.010 0.000 1.242 328 G HN -0.012 8.121 8.290 -0.004 0.153 0.520 329 G N -1.216 107.594 108.800 0.017 0.000 2.749 329 G HA2 0.449 nan 3.960 nan 0.000 0.300 329 G HA3 0.449 nan 3.960 nan 0.000 0.300 329 G C -1.783 173.132 174.900 0.027 0.000 1.352 329 G CA 0.062 45.180 45.100 0.030 0.000 0.789 329 G HN -0.818 7.477 8.290 0.009 0.000 0.509 330 S N -0.745 114.978 115.700 0.038 0.000 2.593 330 S HA 0.107 nan 4.470 nan 0.000 0.235 330 S C -0.053 174.574 174.600 0.046 0.000 1.059 330 S CA -0.019 58.202 58.200 0.034 0.000 0.953 330 S CB 1.760 64.979 63.200 0.030 0.000 0.897 330 S HN 0.201 8.541 8.310 0.050 0.000 0.507 331 A N 4.591 127.455 122.820 0.073 0.000 2.526 331 A HA -0.076 nan 4.320 nan 0.000 0.267 331 A C -0.240 177.400 177.584 0.094 0.000 1.095 331 A CA 0.908 53.008 52.037 0.105 0.000 0.775 331 A CB 0.009 19.114 19.000 0.176 0.000 1.036 331 A HN -0.842 7.356 8.150 0.080 0.000 0.510 332 G N 2.621 111.465 108.800 0.074 0.000 2.535 332 G HA2 0.054 nan 3.960 nan 0.000 0.282 332 G HA3 0.054 nan 3.960 nan 0.000 0.282 332 G C -0.002 174.948 174.900 0.083 0.000 1.350 332 G CA -1.378 43.753 45.100 0.051 0.000 1.039 332 G HN -0.261 8.070 8.290 0.069 0.000 0.509 333 T N 1.779 116.366 114.554 0.056 0.000 2.597 333 T HA -0.553 nan 4.350 nan 0.000 0.267 333 T C 2.158 176.929 174.700 0.118 0.000 1.053 333 T CA 4.790 66.936 62.100 0.078 0.000 1.165 333 T CB -0.359 68.537 68.868 0.047 0.000 0.863 333 T HN 0.615 8.963 8.240 0.030 -0.089 0.427 334 E N 1.128 121.378 120.200 0.084 0.000 2.110 334 E HA -0.353 nan 4.350 nan 0.000 0.193 334 E C 1.387 178.036 176.600 0.081 0.000 0.988 334 E CA 3.736 60.180 56.400 0.074 0.000 0.804 334 E CB -0.804 28.926 29.700 0.050 0.000 0.745 334 E HN 0.293 8.692 8.360 0.066 0.000 0.458 335 A N -0.034 122.842 122.820 0.093 0.000 1.858 335 A HA -0.227 nan 4.320 nan 0.000 0.216 335 A C 1.912 179.563 177.584 0.111 0.000 1.190 335 A CA 2.548 54.637 52.037 0.087 0.000 0.617 335 A CB -0.713 18.341 19.000 0.089 0.000 0.827 335 A HN -0.390 7.815 8.150 0.092 0.000 0.443 336 F N -1.397 118.565 119.950 0.019 0.000 2.069 336 F HA -0.482 nan 4.527 nan 0.000 0.298 336 F C 1.746 177.562 175.800 0.026 0.000 1.113 336 F CA 4.105 62.119 58.000 0.024 0.000 1.214 336 F CB 0.273 39.286 39.000 0.021 0.000 0.978 336 F HN 0.249 8.726 8.300 0.295 0.000 0.474 337 T N 1.285 115.948 114.554 0.183 0.000 2.737 337 T HA -0.515 nan 4.350 nan 0.000 0.269 337 T C 1.713 176.397 174.700 -0.027 0.000 1.040 337 T CA 5.002 67.146 62.100 0.074 0.000 1.142 337 T CB -0.932 68.001 68.868 0.108 0.000 0.861 337 T HN -0.161 8.250 8.240 0.285 0.000 0.456 338 A N 1.035 123.845 122.820 -0.017 0.000 1.883 338 A HA -0.335 nan 4.320 nan 0.000 0.217 338 A C 1.729 179.266 177.584 -0.079 0.000 1.186 338 A CA 3.402 55.417 52.037 -0.036 0.000 0.624 338 A CB -0.941 18.048 19.000 -0.018 0.000 0.822 338 A HN -0.209 7.849 8.150 0.021 0.104 0.444 339 T N 1.799 116.283 114.554 -0.117 0.000 2.684 339 T HA -0.386 nan 4.350 nan 0.000 0.267 339 T C 2.105 176.768 174.700 -0.062 0.000 1.036 339 T CA 4.620 66.650 62.100 -0.117 0.000 1.148 339 T CB -0.450 68.317 68.868 -0.169 0.000 0.863 339 T HN -0.504 7.595 8.240 -0.117 0.072 0.436 340 V N 2.120 121.915 119.914 -0.197 0.000 2.255 340 V HA -0.388 nan 4.120 nan 0.000 0.247 340 V C 2.278 178.348 176.094 -0.039 0.000 1.051 340 V CA 4.164 66.381 62.300 -0.138 0.000 1.018 340 V CB -0.985 30.729 31.823 -0.182 0.000 0.641 340 V HN -0.200 7.795 8.190 -0.324 0.000 0.445 341 L N -2.080 119.110 121.223 -0.055 0.000 2.079 341 L HA -0.401 nan 4.340 nan 0.000 0.210 341 L C 2.609 179.440 176.870 -0.065 0.000 1.081 341 L CA 2.976 57.789 54.840 -0.044 0.000 0.752 341 L CB -0.718 41.318 42.059 -0.038 0.000 0.896 341 L HN 0.217 8.405 8.230 -0.069 0.000 0.433 342 R N -1.129 119.305 120.500 -0.111 0.000 2.127 342 R HA -0.343 nan 4.340 nan 0.000 0.238 342 R C 2.302 178.432 176.300 -0.284 0.000 1.134 342 R CA 3.050 59.024 56.100 -0.210 0.000 0.975 342 R CB -0.241 29.885 30.300 -0.290 0.000 0.865 342 R HN 0.261 8.266 8.270 -0.100 0.204 0.447 343 H N -3.003 116.014 119.070 -0.087 0.000 2.553 343 H HA -0.009 nan 4.556 nan 0.000 0.265 343 H C 0.866 176.152 175.328 -0.070 0.000 0.964 343 H CA 1.077 57.077 56.048 -0.081 0.000 1.156 343 H CB 0.444 30.145 29.762 -0.102 0.000 1.411 343 H HN -0.434 7.691 8.280 -0.019 0.144 0.558 344 L N -1.803 119.430 121.223 0.018 0.000 2.551 344 L HA -0.100 nan 4.340 nan 0.000 0.228 344 L C -0.578 176.284 176.870 -0.014 0.000 1.153 344 L CA -0.096 54.742 54.840 -0.003 0.000 0.851 344 L CB -0.910 41.139 42.059 -0.017 0.000 0.959 344 L HN -0.431 7.596 8.230 -0.008 0.199 0.451 345 A N 0.000 122.805 122.820 -0.025 0.000 2.254 345 A HA 0.000 nan 4.320 nan 0.000 0.244 345 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 345 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 345 A HN 0.000 8.057 8.150 -0.035 0.072 0.486