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 2whw_1_A DATA FIRST_RESID 12 DATA SEQUENCE PPVLDLGALG QDFAADPYPT YARLRAEGPA HRVRTPEGNE VWLVVGYDRA DATA SEQUENCE RAVLADPRFS KDWRNSTTPL TEAEAALNHN MLESDPPRHT RLRKLVAREF DATA SEQUENCE TMRRVELLRP RVQEIVDGLV DAMLAAPDGR ADLMESLAWP LPITVISELL DATA SEQUENCE GVPEPDRAAF RVWTDAFVFP DDPAQAQTAM AEMSGYLSRL IDSKRGQDGE DATA SEQUENCE DLLSALVRTS DEDGSRLTSE ELLGMAHILL VAGHETTVNL IANGMYALLS DATA SEQUENCE HPDQLAALRA DMTLLDGAVE EMLRYEGPVE SATYRFPVEP VDLDGTVIPA DATA SEQUENCE GDTVLVVLAD AHRTPERFPD PHRFDIRRDT AGHLAFGHGI HFCIGAPLAR DATA SEQUENCE LEARIAVRAL LERCPDLALD VSPGELVWYP NPMIRGLKAL PIRWRR 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.299 177.300 -0.001 0.000 1.155 12 P CA 0.000 63.114 63.100 0.022 0.000 0.800 12 P CB 0.000 31.729 31.700 0.049 0.000 0.726 13 P HA 0.488 nan 4.420 nan 0.000 0.274 13 P C 0.062 177.331 177.300 -0.051 0.000 1.237 13 P CA -0.116 62.966 63.100 -0.030 0.000 0.793 13 P CB 0.622 32.307 31.700 -0.025 0.000 0.977 14 V N 2.252 122.118 119.914 -0.079 0.000 2.485 14 V HA -0.053 4.067 4.120 0.000 0.000 0.287 14 V C 0.862 176.904 176.094 -0.087 0.000 1.022 14 V CA -0.286 61.950 62.300 -0.108 0.000 1.067 14 V CB 0.198 31.944 31.823 -0.127 0.000 0.967 14 V HN 0.447 nan 8.190 nan 0.000 0.479 15 L N 5.140 126.311 121.223 -0.087 0.000 2.367 15 L HA 0.360 4.700 4.340 0.000 0.000 0.275 15 L C 0.199 176.994 176.870 -0.125 0.000 1.129 15 L CA 0.389 55.171 54.840 -0.097 0.000 0.839 15 L CB 0.886 42.888 42.059 -0.096 0.000 1.133 15 L HN 0.656 nan 8.230 nan 0.000 0.453 16 D N 4.682 125.005 120.400 -0.128 0.000 2.396 16 D HA 0.149 4.789 4.640 0.000 0.000 0.225 16 D C 0.896 177.073 176.300 -0.205 0.000 1.121 16 D CA -0.073 53.846 54.000 -0.135 0.000 0.853 16 D CB 0.971 41.714 40.800 -0.095 0.000 1.043 16 D HN 0.630 nan 8.370 nan 0.000 0.500 17 L N 2.877 123.941 121.223 -0.265 0.000 2.240 17 L HA 0.068 4.408 4.340 0.000 0.000 0.211 17 L C 2.421 179.103 176.870 -0.313 0.000 1.106 17 L CA 0.728 55.276 54.840 -0.487 0.000 0.793 17 L CB -0.146 41.568 42.059 -0.574 0.000 0.927 17 L HN 0.453 nan 8.230 nan 0.000 0.446 18 G N 0.270 108.983 108.800 -0.145 0.000 2.442 18 G HA2 -0.271 3.689 3.960 0.000 0.000 0.219 18 G HA3 -0.271 3.689 3.960 0.000 0.000 0.219 18 G C 1.623 176.491 174.900 -0.053 0.000 1.141 18 G CA 0.711 45.778 45.100 -0.056 0.000 0.763 18 G HN 0.451 nan 8.290 nan 0.000 0.554 19 A N -0.312 122.460 122.820 -0.080 0.000 2.259 19 A HA 0.245 4.565 4.320 0.000 0.000 0.212 19 A C 2.068 179.618 177.584 -0.057 0.000 1.178 19 A CA 0.722 52.722 52.037 -0.061 0.000 0.734 19 A CB -0.185 18.775 19.000 -0.067 0.000 0.774 19 A HN 0.301 nan 8.150 nan 0.000 0.481 20 L N -1.209 119.975 121.223 -0.065 0.000 2.202 20 L HA 0.141 4.481 4.340 0.000 0.000 0.205 20 L C 2.518 179.402 176.870 0.023 0.000 1.083 20 L CA 1.504 56.322 54.840 -0.037 0.000 0.790 20 L CB -1.302 40.701 42.059 -0.093 0.000 0.942 20 L HN 0.354 nan 8.230 nan 0.000 0.452 21 G N -1.619 107.207 108.800 0.043 0.000 2.575 21 G HA2 -0.182 3.778 3.960 0.000 0.000 0.215 21 G HA3 -0.182 3.778 3.960 0.000 0.000 0.215 21 G C 1.349 176.342 174.900 0.155 0.000 1.262 21 G CA 1.449 46.589 45.100 0.067 0.000 0.807 21 G HN 0.374 nan 8.290 nan 0.000 0.567 22 Q N -2.860 117.036 119.800 0.161 0.000 1.733 22 Q HA 0.048 4.388 4.340 0.000 0.000 0.148 22 Q C 1.069 177.096 176.000 0.045 0.000 0.586 22 Q CA 1.079 56.933 55.803 0.086 0.000 0.906 22 Q CB -0.872 27.901 28.738 0.058 0.000 0.999 22 Q HN 0.270 nan 8.270 nan 0.000 0.234 23 D N -0.562 119.855 120.400 0.028 0.000 4.522 23 D HA -0.302 4.338 4.640 0.000 0.000 0.302 23 D C 1.007 177.309 176.300 0.003 0.000 0.484 23 D CA 2.871 56.884 54.000 0.022 0.000 1.355 23 D CB -1.444 39.377 40.800 0.036 0.000 0.790 23 D HN 0.305 nan 8.370 nan 0.000 0.336 24 F N 0.388 120.277 119.950 -0.102 0.000 2.234 24 F HA 0.120 4.647 4.527 -0.000 0.000 0.299 24 F C 2.010 177.701 175.800 -0.182 0.000 1.087 24 F CA 1.953 59.854 58.000 -0.165 0.000 1.340 24 F CB -0.337 38.571 39.000 -0.154 0.000 1.031 24 F HN 0.136 nan 8.300 nan 0.000 0.500 25 A N 0.113 122.820 122.820 -0.188 0.000 2.014 25 A HA 0.141 4.461 4.320 0.000 0.000 0.218 25 A C 2.323 179.720 177.584 -0.311 0.000 1.163 25 A CA 1.184 53.073 52.037 -0.246 0.000 0.652 25 A CB -1.273 17.741 19.000 0.023 0.000 0.808 25 A HN 0.450 nan 8.150 nan 0.000 0.449 26 A N -1.052 121.629 122.820 -0.231 0.000 1.930 26 A HA 0.109 4.429 4.320 0.000 0.000 0.215 26 A C 0.846 178.113 177.584 -0.529 0.000 1.176 26 A CA 1.570 53.420 52.037 -0.313 0.000 0.632 26 A CB -0.018 18.984 19.000 0.003 0.000 0.819 26 A HN 0.369 nan 8.150 nan 0.000 0.445 27 D N -2.105 118.045 120.400 -0.417 0.000 2.472 27 D HA 0.242 4.882 4.640 0.000 0.000 0.248 27 D C -2.256 173.756 176.300 -0.481 0.000 1.271 27 D CA -1.253 52.538 54.000 -0.349 0.000 0.888 27 D CB 1.201 41.926 40.800 -0.125 0.000 1.337 27 D HN 0.035 nan 8.370 nan 0.000 0.526 28 P HA -0.086 nan 4.420 nan 0.000 0.229 28 P C 1.082 177.923 177.300 -0.765 0.000 1.160 28 P CA 0.464 62.873 63.100 -1.152 0.000 0.777 28 P CB 0.197 30.995 31.700 -1.503 0.000 0.814 29 Y N 1.360 121.516 120.300 -0.239 0.000 2.114 29 Y HA -0.134 4.416 4.550 -0.000 0.000 0.282 29 Y C -0.099 175.806 175.900 0.010 0.000 1.165 29 Y CA 1.641 59.733 58.100 -0.014 0.000 1.148 29 Y CB -2.618 35.859 38.460 0.028 0.000 0.972 29 Y HN 0.170 nan 8.280 nan 0.000 0.504 30 P HA -0.086 nan 4.420 nan 0.000 0.219 30 P C 1.420 178.741 177.300 0.036 0.000 1.150 30 P CA 1.832 64.972 63.100 0.067 0.000 0.814 30 P CB -0.112 31.602 31.700 0.024 0.000 0.787 31 T N -1.159 113.377 114.554 -0.030 0.000 2.684 31 T HA -0.198 4.152 4.350 0.000 0.000 0.267 31 T C 1.643 176.342 174.700 -0.002 0.000 1.036 31 T CA 1.548 63.619 62.100 -0.048 0.000 1.148 31 T CB -1.164 67.680 68.868 -0.041 0.000 0.863 31 T HN 0.197 nan 8.240 nan 0.000 0.436 32 Y N 1.097 121.449 120.300 0.086 0.000 2.200 32 Y HA 0.000 4.550 4.550 0.000 0.000 0.290 32 Y C 2.901 178.828 175.900 0.044 0.000 1.137 32 Y CA 0.327 58.460 58.100 0.054 0.000 1.163 32 Y CB -0.377 38.127 38.460 0.073 0.000 0.988 32 Y HN 0.191 nan 8.280 nan 0.000 0.518 33 A N 0.644 123.612 122.820 0.246 0.000 1.902 33 A HA -0.249 4.071 4.320 0.000 0.000 0.217 33 A C 2.196 179.844 177.584 0.107 0.000 1.181 33 A CA 1.843 53.987 52.037 0.178 0.000 0.623 33 A CB -0.780 18.337 19.000 0.195 0.000 0.818 33 A HN 0.431 nan 8.150 nan 0.000 0.443 34 R N -0.203 120.341 120.500 0.074 0.000 2.083 34 R HA -0.141 4.199 4.340 0.000 0.000 0.237 34 R C 2.033 178.325 176.300 -0.014 0.000 1.137 34 R CA 1.841 57.959 56.100 0.030 0.000 0.951 34 R CB -0.519 29.787 30.300 0.010 0.000 0.851 34 R HN 0.536 nan 8.270 nan 0.000 0.434 35 L N 0.274 121.449 121.223 -0.080 0.000 2.043 35 L HA -0.216 4.124 4.340 0.000 0.000 0.212 35 L C 2.959 179.755 176.870 -0.125 0.000 1.075 35 L CA 1.664 56.308 54.840 -0.327 0.000 0.752 35 L CB -0.598 41.125 42.059 -0.560 0.000 0.891 35 L HN 0.292 nan 8.230 nan 0.000 0.432 36 R N 0.377 120.894 120.500 0.028 0.000 2.115 36 R HA -0.134 4.206 4.340 0.000 0.000 0.230 36 R C 2.298 178.668 176.300 0.117 0.000 1.111 36 R CA 1.179 57.346 56.100 0.112 0.000 0.976 36 R CB -0.154 30.216 30.300 0.117 0.000 0.870 36 R HN 0.364 nan 8.270 nan 0.000 0.445 37 A N 1.022 123.896 122.820 0.090 0.000 1.940 37 A HA -0.192 4.128 4.320 0.000 0.000 0.219 37 A C 1.844 179.489 177.584 0.102 0.000 1.176 37 A CA 1.614 53.702 52.037 0.085 0.000 0.631 37 A CB -0.307 18.734 19.000 0.069 0.000 0.814 37 A HN 0.457 nan 8.150 nan 0.000 0.446 38 E N -1.403 118.876 120.200 0.131 0.000 2.152 38 E HA 0.307 4.657 4.350 0.000 0.000 0.192 38 E C 1.011 177.727 176.600 0.193 0.000 0.983 38 E CA 0.603 57.108 56.400 0.174 0.000 0.818 38 E CB 0.018 29.861 29.700 0.238 0.000 0.758 38 E HN 0.673 nan 8.360 nan 0.000 0.467 39 G N -0.932 108.026 108.800 0.264 0.000 2.341 39 G HA2 -0.024 3.936 3.960 0.000 0.000 0.293 39 G HA3 -0.024 3.936 3.960 0.000 0.000 0.293 39 G C -2.535 172.515 174.900 0.249 0.000 1.298 39 G CA -0.579 44.628 45.100 0.177 0.000 0.868 39 G HN -0.221 nan 8.290 nan 0.000 0.540 40 P HA 0.279 nan 4.420 nan 0.000 0.225 40 P C 0.570 177.930 177.300 0.100 0.000 1.156 40 P CA 1.585 64.742 63.100 0.096 0.000 0.787 40 P CB 0.514 32.230 31.700 0.027 0.000 0.802 41 A N 0.173 122.956 122.820 -0.062 0.000 2.374 41 A HA 0.677 4.997 4.320 0.000 0.000 0.305 41 A C -0.950 176.505 177.584 -0.215 0.000 1.053 41 A CA -0.511 51.521 52.037 -0.008 0.000 0.726 41 A CB 1.045 20.030 19.000 -0.024 0.000 1.229 41 A HN 0.081 nan 8.150 nan 0.000 0.431 42 H N 1.542 120.863 119.070 0.417 0.000 2.947 42 H HA 0.290 4.846 4.556 0.000 0.000 0.354 42 H C -0.758 174.556 175.328 -0.023 0.000 1.085 42 H CA -0.692 55.486 56.048 0.217 0.000 1.253 42 H CB 1.685 31.514 29.762 0.111 0.000 1.757 42 H HN 0.700 nan 8.280 nan 0.000 0.523 43 R N 1.960 122.267 120.500 -0.323 0.000 2.347 43 R HA 0.336 4.676 4.340 0.000 0.000 0.304 43 R C 0.111 176.253 176.300 -0.263 0.000 1.072 43 R CA -0.315 55.393 56.100 -0.652 0.000 0.980 43 R CB 0.851 30.690 30.300 -0.768 0.000 0.986 43 R HN 0.425 nan 8.270 nan 0.000 0.448 44 V N 0.324 120.107 119.914 -0.219 0.000 3.158 44 V HA 0.659 4.779 4.120 0.000 0.000 0.311 44 V C -0.845 175.171 176.094 -0.131 0.000 1.181 44 V CA -1.205 61.018 62.300 -0.129 0.000 1.054 44 V CB 2.236 34.023 31.823 -0.060 0.000 1.085 44 V HN 0.768 nan 8.190 nan 0.000 0.446 45 R N 1.294 121.731 120.500 -0.105 0.000 2.476 45 R HA 0.595 4.936 4.340 0.000 0.000 0.305 45 R C -0.120 176.146 176.300 -0.057 0.000 0.965 45 R CA 0.191 56.245 56.100 -0.076 0.000 0.867 45 R CB 1.785 32.042 30.300 -0.072 0.000 1.176 45 R HN 1.175 nan 8.270 nan 0.000 0.447 46 T N 1.588 116.137 114.554 -0.009 0.000 2.813 46 T HA 0.229 4.579 4.350 0.000 0.000 0.297 46 T C -1.766 172.951 174.700 0.030 0.000 1.036 46 T CA -1.424 60.696 62.100 0.032 0.000 1.044 46 T CB 1.106 70.032 68.868 0.097 0.000 0.993 46 T HN 0.370 nan 8.240 nan 0.000 0.535 47 P HA -0.019 nan 4.420 nan 0.000 0.217 47 P C 1.540 178.880 177.300 0.068 0.000 1.148 47 P CA 1.888 65.024 63.100 0.061 0.000 0.828 47 P CB -0.275 31.497 31.700 0.120 0.000 0.783 48 E N -0.908 119.346 120.200 0.089 0.000 2.481 48 E HA 0.256 4.606 4.350 0.000 0.000 0.195 48 E C 1.430 178.071 176.600 0.068 0.000 1.047 48 E CA 0.801 57.253 56.400 0.086 0.000 0.867 48 E CB -1.297 28.469 29.700 0.110 0.000 0.858 48 E HN 0.301 nan 8.360 nan 0.000 0.513 49 G N 0.061 108.893 108.800 0.053 0.000 2.138 49 G HA2 -0.194 3.766 3.960 0.000 0.000 0.193 49 G HA3 -0.194 3.766 3.960 0.000 0.000 0.193 49 G C -0.021 174.901 174.900 0.037 0.000 0.998 49 G CA -0.063 45.057 45.100 0.034 0.000 0.668 49 G HN 0.517 nan 8.290 nan 0.000 0.516 50 N N 1.213 119.944 118.700 0.052 0.000 2.455 50 N HA 0.450 5.190 4.740 0.000 0.000 0.280 50 N C -0.308 175.204 175.510 0.003 0.000 1.055 50 N CA -0.520 52.562 53.050 0.055 0.000 0.961 50 N CB 0.829 39.384 38.487 0.113 0.000 1.121 50 N HN 0.246 nan 8.380 nan 0.000 0.476 51 E N 1.977 122.165 120.200 -0.020 0.000 2.152 51 E HA 0.225 4.575 4.350 0.000 0.000 0.285 51 E C -0.306 176.227 176.600 -0.111 0.000 1.043 51 E CA -0.409 55.941 56.400 -0.084 0.000 0.839 51 E CB 1.021 30.663 29.700 -0.097 0.000 1.069 51 E HN 0.341 nan 8.360 nan 0.000 0.399 52 V N -0.396 119.425 119.914 -0.155 0.000 3.160 52 V HA 0.586 4.706 4.120 0.000 0.000 0.310 52 V C -1.256 174.723 176.094 -0.193 0.000 1.181 52 V CA -1.306 60.912 62.300 -0.136 0.000 1.047 52 V CB 1.355 33.104 31.823 -0.124 0.000 1.068 52 V HN 0.536 nan 8.190 nan 0.000 0.441 53 W N 0.904 122.173 121.300 -0.051 0.000 2.438 53 W HA 0.776 5.437 4.660 0.000 0.000 0.324 53 W C -0.307 176.204 176.519 -0.013 0.000 1.119 53 W CA -0.533 56.803 57.345 -0.014 0.000 1.221 53 W CB 1.273 30.729 29.460 -0.008 0.000 1.253 53 W HN 0.494 nan 8.180 nan 0.000 0.555 54 L N 3.530 124.922 121.223 0.281 0.000 2.295 54 L HA 0.502 4.842 4.340 0.000 0.000 0.285 54 L C -0.386 176.596 176.870 0.187 0.000 1.035 54 L CA -1.146 53.802 54.840 0.180 0.000 0.806 54 L CB 0.991 43.155 42.059 0.175 0.000 1.214 54 L HN 0.049 nan 8.230 nan 0.000 0.426 55 V N 4.500 124.448 119.914 0.058 0.000 2.370 55 V HA 0.401 4.521 4.120 0.000 0.000 0.283 55 V C 0.138 176.220 176.094 -0.019 0.000 1.023 55 V CA -0.512 61.796 62.300 0.014 0.000 0.857 55 V CB 1.909 33.672 31.823 -0.099 0.000 0.985 55 V HN 0.558 nan 8.190 nan 0.000 0.443 56 V N 1.915 121.854 119.914 0.041 0.000 3.046 56 V HA 1.111 5.231 4.120 0.000 0.000 0.316 56 V C 0.146 176.258 176.094 0.030 0.000 1.104 56 V CA -0.404 61.903 62.300 0.011 0.000 1.006 56 V CB 1.324 33.184 31.823 0.061 0.000 1.058 56 V HN 1.658 nan 8.190 nan 0.000 0.440 57 G N 0.242 109.067 108.800 0.040 0.000 3.209 57 G HA2 -0.198 3.762 3.960 0.000 0.000 0.686 57 G HA3 -0.198 3.762 3.960 0.000 0.000 0.686 57 G C -0.617 174.324 174.900 0.068 0.000 1.065 57 G CA 0.237 45.385 45.100 0.080 0.000 0.812 57 G HN 1.888 nan 8.290 nan 0.000 0.573 58 Y N 1.645 121.961 120.300 0.026 0.000 2.053 58 Y HA -0.197 4.353 4.550 0.000 0.000 0.277 58 Y C 2.429 178.326 175.900 -0.005 0.000 1.159 58 Y CA 2.743 60.859 58.100 0.028 0.000 1.125 58 Y CB 0.054 38.553 38.460 0.065 0.000 0.969 58 Y HN 0.619 nan 8.280 nan 0.000 0.492 59 D N -0.367 120.103 120.400 0.117 0.000 2.117 59 D HA -0.170 4.470 4.640 0.000 0.000 0.197 59 D C 2.241 178.485 176.300 -0.094 0.000 0.987 59 D CA 1.446 55.464 54.000 0.031 0.000 0.829 59 D CB -0.282 40.575 40.800 0.095 0.000 0.961 59 D HN 0.217 nan 8.370 nan 0.000 0.460 60 R N 0.823 121.281 120.500 -0.070 0.000 2.093 60 R HA 0.100 4.440 4.340 0.000 0.000 0.224 60 R C 1.937 178.140 176.300 -0.160 0.000 1.101 60 R CA 1.332 57.378 56.100 -0.090 0.000 0.979 60 R CB -0.595 29.674 30.300 -0.051 0.000 0.877 60 R HN 0.055 nan 8.270 nan 0.000 0.441 61 A N 0.723 123.430 122.820 -0.189 0.000 1.883 61 A HA -0.201 4.119 4.320 0.000 0.000 0.217 61 A C 2.228 179.664 177.584 -0.247 0.000 1.186 61 A CA 1.729 53.629 52.037 -0.228 0.000 0.624 61 A CB -0.636 18.226 19.000 -0.230 0.000 0.822 61 A HN 0.405 nan 8.150 nan 0.000 0.444 62 R N -0.395 119.899 120.500 -0.343 0.000 2.083 62 R HA -0.119 4.221 4.340 0.000 0.000 0.237 62 R C 2.310 178.563 176.300 -0.079 0.000 1.137 62 R CA 1.686 57.616 56.100 -0.283 0.000 0.951 62 R CB -0.483 29.511 30.300 -0.509 0.000 0.851 62 R HN 0.422 nan 8.270 nan 0.000 0.434 63 A N 0.255 123.012 122.820 -0.104 0.000 1.902 63 A HA -0.109 4.211 4.320 0.000 0.000 0.217 63 A C 2.306 179.832 177.584 -0.096 0.000 1.181 63 A CA 1.692 53.701 52.037 -0.047 0.000 0.623 63 A CB -0.623 18.348 19.000 -0.048 0.000 0.818 63 A HN 0.250 nan 8.150 nan 0.000 0.443 64 V N 0.235 120.017 119.914 -0.221 0.000 2.343 64 V HA -0.274 3.846 4.120 0.000 0.000 0.247 64 V C 2.558 178.462 176.094 -0.316 0.000 1.051 64 V CA 1.911 63.941 62.300 -0.450 0.000 1.036 64 V CB -0.829 30.580 31.823 -0.689 0.000 0.654 64 V HN 0.583 nan 8.190 nan 0.000 0.451 65 L N 0.181 121.298 121.223 -0.177 0.000 2.051 65 L HA -0.250 4.090 4.340 0.000 0.000 0.214 65 L C 2.335 179.183 176.870 -0.036 0.000 1.076 65 L CA 1.997 56.794 54.840 -0.072 0.000 0.758 65 L CB -0.593 41.484 42.059 0.030 0.000 0.890 65 L HN 0.418 nan 8.230 nan 0.000 0.433 66 A N -1.980 120.827 122.820 -0.022 0.000 2.308 66 A HA -0.010 4.310 4.320 0.000 0.000 0.217 66 A C 0.517 178.092 177.584 -0.014 0.000 1.216 66 A CA -0.184 51.809 52.037 -0.073 0.000 0.864 66 A CB -0.188 18.717 19.000 -0.157 0.000 0.902 66 A HN 0.250 nan 8.150 nan 0.000 0.499 67 D N 1.057 121.469 120.400 0.019 0.000 2.336 67 D HA 0.188 4.828 4.640 0.000 0.000 0.249 67 D C -1.715 174.670 176.300 0.143 0.000 1.213 67 D CA -2.008 52.050 54.000 0.097 0.000 0.870 67 D CB 1.316 42.215 40.800 0.163 0.000 1.076 67 D HN 0.091 nan 8.370 nan 0.000 0.483 68 P HA -0.018 nan 4.420 nan 0.000 0.239 68 P C 0.833 178.163 177.300 0.051 0.000 1.184 68 P CA 0.300 63.438 63.100 0.064 0.000 0.760 68 P CB 0.272 31.987 31.700 0.026 0.000 0.884 69 R N -1.057 119.476 120.500 0.055 0.000 2.235 69 R HA 0.048 4.388 4.340 0.000 0.000 0.213 69 R C 0.259 176.415 176.300 -0.240 0.000 1.059 69 R CA 0.571 56.616 56.100 -0.092 0.000 0.997 69 R CB -0.309 29.899 30.300 -0.154 0.000 0.884 69 R HN 0.206 nan 8.270 nan 0.000 0.462 70 F N 0.620 120.538 119.950 -0.053 0.000 2.303 70 F HA 0.229 4.756 4.527 0.000 0.000 0.368 70 F C 0.529 176.291 175.800 -0.063 0.000 1.105 70 F CA -0.572 57.383 58.000 -0.075 0.000 1.153 70 F CB 1.282 40.218 39.000 -0.108 0.000 1.362 70 F HN -0.200 nan 8.300 nan 0.000 0.511 71 S N 2.192 117.936 115.700 0.074 0.000 2.585 71 S HA 0.225 4.695 4.470 0.000 0.000 0.273 71 S C 1.130 175.754 174.600 0.040 0.000 1.339 71 S CA -0.423 57.827 58.200 0.084 0.000 1.028 71 S CB 0.751 64.023 63.200 0.121 0.000 0.906 71 S HN 0.699 nan 8.310 nan 0.000 0.528 72 K N 1.051 121.475 120.400 0.041 0.000 2.358 72 K HA 0.129 4.449 4.320 0.000 0.000 0.197 72 K C -0.316 176.369 176.600 0.143 0.000 1.025 72 K CA -0.155 56.116 56.287 -0.028 0.000 1.104 72 K CB 0.245 32.637 32.500 -0.180 0.000 0.855 72 K HN 0.534 nan 8.250 nan 0.000 0.531 73 D N -0.372 120.144 120.400 0.193 0.000 2.277 73 D HA -0.007 4.633 4.640 0.000 0.000 0.249 73 D C 0.255 176.643 176.300 0.147 0.000 1.134 73 D CA -0.362 53.750 54.000 0.186 0.000 0.863 73 D CB 0.577 41.455 40.800 0.130 0.000 1.143 73 D HN 0.012 nan 8.370 nan 0.000 0.458 74 W N 3.181 124.504 121.300 0.037 0.000 2.538 74 W HA 0.004 4.664 4.660 0.000 0.000 0.254 74 W C 2.130 178.511 176.519 -0.230 0.000 1.249 74 W CA -0.034 57.197 57.345 -0.190 0.000 1.253 74 W CB -0.095 29.296 29.460 -0.116 0.000 1.130 74 W HN 0.395 nan 8.180 nan 0.000 0.618 75 R N 0.088 120.624 120.500 0.060 0.000 2.241 75 R HA -0.104 4.236 4.340 0.000 0.000 0.224 75 R C 1.205 177.473 176.300 -0.053 0.000 1.101 75 R CA 0.915 57.019 56.100 0.008 0.000 0.995 75 R CB -0.314 29.999 30.300 0.022 0.000 0.870 75 R HN 0.180 nan 8.270 nan 0.000 0.463 76 N N -0.126 118.508 118.700 -0.109 0.000 2.280 76 N HA -0.015 4.725 4.740 0.000 0.000 0.192 76 N C 0.057 175.422 175.510 -0.242 0.000 1.109 76 N CA 0.229 53.213 53.050 -0.111 0.000 0.855 76 N CB 0.744 39.227 38.487 -0.007 0.000 0.974 76 N HN -0.017 nan 8.380 nan 0.000 0.482 77 S N -0.208 115.175 115.700 -0.529 0.000 2.617 77 S HA 0.258 4.728 4.470 0.000 0.000 0.283 77 S C 1.227 175.665 174.600 -0.269 0.000 1.189 77 S CA -0.500 57.254 58.200 -0.743 0.000 1.036 77 S CB 1.056 63.196 63.200 -1.768 0.000 1.014 77 S HN 0.286 nan 8.310 nan 0.000 0.522 78 T N 0.463 114.935 114.554 -0.138 0.000 3.107 78 T HA 0.182 4.532 4.350 0.000 0.000 0.249 78 T C 0.482 175.195 174.700 0.021 0.000 1.096 78 T CA -0.138 61.942 62.100 -0.034 0.000 1.012 78 T CB -0.481 68.386 68.868 -0.000 0.000 0.977 78 T HN 0.524 nan 8.240 nan 0.000 0.527 79 T N 5.111 119.700 114.554 0.057 0.000 2.794 79 T HA 0.404 4.754 4.350 0.000 0.000 0.296 79 T C -2.447 172.363 174.700 0.183 0.000 0.949 79 T CA -1.079 61.126 62.100 0.175 0.000 1.101 79 T CB 0.908 69.984 68.868 0.347 0.000 0.905 79 T HN 0.198 nan 8.240 nan 0.000 0.516 80 P HA 0.258 nan 4.420 nan 0.000 0.268 80 P C -0.737 176.561 177.300 -0.004 0.000 1.205 80 P CA -0.293 62.834 63.100 0.046 0.000 0.771 80 P CB 0.478 32.193 31.700 0.025 0.000 0.858 81 L N 2.077 123.240 121.223 -0.100 0.000 2.325 81 L HA 0.406 4.746 4.340 0.000 0.000 0.278 81 L C 1.332 178.109 176.870 -0.155 0.000 1.023 81 L CA -0.711 53.993 54.840 -0.226 0.000 0.811 81 L CB 1.516 43.352 42.059 -0.373 0.000 1.249 81 L HN 0.421 nan 8.230 nan 0.000 0.431 82 T N -2.418 112.041 114.554 -0.158 0.000 2.788 82 T HA 0.060 4.410 4.350 0.000 0.000 0.287 82 T C 0.895 175.506 174.700 -0.149 0.000 1.007 82 T CA -0.417 61.607 62.100 -0.127 0.000 1.005 82 T CB 1.240 70.038 68.868 -0.117 0.000 1.012 82 T HN 0.762 nan 8.240 nan 0.000 0.530 83 E N 0.381 120.509 120.200 -0.120 0.000 2.110 83 E HA -0.105 4.245 4.350 0.000 0.000 0.193 83 E C 2.295 178.806 176.600 -0.149 0.000 0.988 83 E CA 1.041 57.370 56.400 -0.117 0.000 0.804 83 E CB -0.556 29.090 29.700 -0.091 0.000 0.745 83 E HN 0.802 nan 8.360 nan 0.000 0.458 84 A N 0.820 123.540 122.820 -0.166 0.000 1.930 84 A HA -0.185 4.135 4.320 0.000 0.000 0.217 84 A C 1.862 179.286 177.584 -0.268 0.000 1.175 84 A CA 1.477 53.388 52.037 -0.210 0.000 0.627 84 A CB -0.376 18.498 19.000 -0.210 0.000 0.815 84 A HN 0.285 nan 8.150 nan 0.000 0.443 85 E N -0.103 119.935 120.200 -0.270 0.000 2.072 85 E HA -0.050 4.300 4.350 0.000 0.000 0.191 85 E C 2.224 178.625 176.600 -0.332 0.000 0.985 85 E CA 0.974 57.173 56.400 -0.334 0.000 0.801 85 E CB -0.282 29.201 29.700 -0.362 0.000 0.750 85 E HN 0.591 nan 8.360 nan 0.000 0.452 86 A N 1.195 123.851 122.820 -0.274 0.000 2.015 86 A HA -0.016 4.304 4.320 0.000 0.000 0.219 86 A C 2.282 179.795 177.584 -0.119 0.000 1.163 86 A CA 1.360 53.266 52.037 -0.219 0.000 0.646 86 A CB -0.422 18.484 19.000 -0.158 0.000 0.806 86 A HN 0.272 nan 8.150 nan 0.000 0.448 87 A N -0.931 121.804 122.820 -0.142 0.000 2.119 87 A HA 0.254 4.574 4.320 0.000 0.000 0.217 87 A C 1.710 179.233 177.584 -0.101 0.000 1.153 87 A CA 0.945 52.922 52.037 -0.101 0.000 0.692 87 A CB -0.278 18.639 19.000 -0.139 0.000 0.799 87 A HN 0.443 nan 8.150 nan 0.000 0.458 88 L N -0.024 121.087 121.223 -0.186 0.000 2.693 88 L HA 0.094 4.434 4.340 0.000 0.000 0.235 88 L C 1.340 178.150 176.870 -0.100 0.000 1.127 88 L CA 0.161 54.856 54.840 -0.242 0.000 0.914 88 L CB 0.086 41.785 42.059 -0.600 0.000 1.193 88 L HN 0.492 nan 8.230 nan 0.000 0.502 89 N N -1.787 116.877 118.700 -0.060 0.000 2.270 89 N HA -0.093 4.647 4.740 0.000 0.000 0.198 89 N C 0.528 176.028 175.510 -0.018 0.000 1.117 89 N CA 0.061 53.089 53.050 -0.038 0.000 0.845 89 N CB -0.253 38.132 38.487 -0.169 0.000 0.980 89 N HN 0.270 nan 8.380 nan 0.000 0.486 90 H N 0.912 120.002 119.070 0.034 0.000 2.799 90 H HA 0.154 4.710 4.556 0.000 0.000 0.225 90 H C -0.382 174.998 175.328 0.086 0.000 1.904 90 H CA -0.190 55.895 56.048 0.062 0.000 1.344 90 H CB -0.444 29.337 29.762 0.032 0.000 1.744 90 H HN 0.540 nan 8.280 nan 0.000 0.542 91 N N -0.412 118.387 118.700 0.166 0.000 2.571 91 N HA 0.093 4.833 4.740 0.000 0.000 0.273 91 N C 1.094 176.706 175.510 0.171 0.000 1.340 91 N CA -0.942 52.207 53.050 0.164 0.000 0.789 91 N CB 0.842 39.437 38.487 0.179 0.000 1.514 91 N HN 0.087 nan 8.380 nan 0.000 0.499 92 M N -1.045 118.649 119.600 0.156 0.000 2.296 92 M HA 0.086 4.566 4.480 0.000 0.000 0.265 92 M C 0.868 177.404 176.300 0.394 0.000 1.064 92 M CA 1.252 56.675 55.300 0.206 0.000 1.109 92 M CB -0.307 32.330 32.600 0.061 0.000 1.396 92 M HN 0.474 nan 8.290 nan 0.000 0.430 93 L N 1.566 122.953 121.223 0.274 0.000 2.291 93 L HA 0.057 4.397 4.340 0.000 0.000 0.214 93 L C 0.855 177.783 176.870 0.097 0.000 1.120 93 L CA 1.664 56.622 54.840 0.196 0.000 0.799 93 L CB -0.359 41.764 42.059 0.108 0.000 0.925 93 L HN 0.377 nan 8.230 nan 0.000 0.446 94 E N -0.390 119.921 120.200 0.185 0.000 2.542 94 E HA 0.260 4.610 4.350 0.000 0.000 0.224 94 E C -0.318 176.413 176.600 0.218 0.000 1.110 94 E CA -0.013 56.516 56.400 0.216 0.000 1.350 94 E CB 0.124 30.023 29.700 0.333 0.000 1.302 94 E HN 0.431 nan 8.360 nan 0.000 0.435 95 S N -0.612 115.230 115.700 0.238 0.000 2.565 95 S HA 0.447 4.917 4.470 0.000 0.000 0.269 95 S C -1.249 173.526 174.600 0.292 0.000 1.153 95 S CA -1.137 57.205 58.200 0.237 0.000 0.835 95 S CB 2.223 65.565 63.200 0.236 0.000 1.122 95 S HN -0.099 nan 8.310 nan 0.000 0.462 96 D N 1.064 121.591 120.400 0.211 0.000 2.384 96 D HA 0.640 5.280 4.640 0.000 0.000 0.250 96 D C -2.815 173.584 176.300 0.165 0.000 1.029 96 D CA -1.586 52.515 54.000 0.168 0.000 0.990 96 D CB 0.875 41.743 40.800 0.113 0.000 1.175 96 D HN 0.286 nan 8.370 nan 0.000 0.532 97 P HA 0.069 nan 4.420 nan 0.000 0.266 97 P C -1.629 175.720 177.300 0.082 0.000 1.195 97 P CA -0.616 62.547 63.100 0.106 0.000 0.768 97 P CB 0.164 31.902 31.700 0.063 0.000 0.838 98 P HA 0.073 nan 4.420 nan 0.000 0.245 98 P C 1.374 178.723 177.300 0.082 0.000 1.203 98 P CA 0.559 63.702 63.100 0.072 0.000 0.792 98 P CB 0.397 32.127 31.700 0.050 0.000 0.997 99 R N 0.160 120.718 120.500 0.096 0.000 2.081 99 R HA -0.195 4.146 4.340 0.000 0.000 0.235 99 R C 2.647 179.005 176.300 0.097 0.000 1.131 99 R CA 1.348 57.505 56.100 0.095 0.000 0.960 99 R CB -0.917 29.449 30.300 0.110 0.000 0.856 99 R HN 0.217 nan 8.270 nan 0.000 0.436 100 H N -0.104 119.002 119.070 0.060 0.000 2.352 100 H HA -0.094 4.462 4.556 0.000 0.000 0.299 100 H C 1.254 176.593 175.328 0.018 0.000 1.097 100 H CA 2.164 58.243 56.048 0.051 0.000 1.311 100 H CB -0.070 29.704 29.762 0.020 0.000 1.377 100 H HN 0.241 nan 8.280 nan 0.000 0.504 101 T N 1.068 115.633 114.554 0.018 0.000 2.708 101 T HA -0.164 4.186 4.350 0.000 0.000 0.266 101 T C 2.171 176.828 174.700 -0.071 0.000 1.037 101 T CA 1.676 63.764 62.100 -0.020 0.000 1.146 101 T CB -0.210 68.693 68.868 0.058 0.000 0.865 101 T HN 0.395 nan 8.240 nan 0.000 0.435 102 R N 0.823 121.306 120.500 -0.029 0.000 2.066 102 R HA 0.035 4.375 4.340 0.000 0.000 0.232 102 R C 2.387 178.667 176.300 -0.034 0.000 1.131 102 R CA 1.111 57.202 56.100 -0.015 0.000 0.955 102 R CB -0.458 29.849 30.300 0.013 0.000 0.851 102 R HN 0.347 nan 8.270 nan 0.000 0.432 103 L N 0.170 121.362 121.223 -0.053 0.000 2.056 103 L HA -0.100 4.240 4.340 0.000 0.000 0.207 103 L C 2.920 179.747 176.870 -0.071 0.000 1.078 103 L CA 1.530 56.346 54.840 -0.039 0.000 0.749 103 L CB -0.432 41.618 42.059 -0.016 0.000 0.901 103 L HN 0.258 nan 8.230 nan 0.000 0.433 104 R N 0.617 121.008 120.500 -0.182 0.000 2.092 104 R HA -0.137 4.203 4.340 0.000 0.000 0.231 104 R C 2.262 178.527 176.300 -0.058 0.000 1.119 104 R CA 1.165 57.168 56.100 -0.162 0.000 0.970 104 R CB 0.034 30.142 30.300 -0.320 0.000 0.864 104 R HN 0.201 nan 8.270 nan 0.000 0.440 105 K N 0.048 120.416 120.400 -0.054 0.000 2.211 105 K HA -0.126 4.194 4.320 0.000 0.000 0.204 105 K C 1.732 178.340 176.600 0.013 0.000 1.047 105 K CA 0.789 57.070 56.287 -0.009 0.000 0.935 105 K CB -0.031 32.463 32.500 -0.009 0.000 0.728 105 K HN 0.115 nan 8.250 nan 0.000 0.452 106 L N 0.072 121.303 121.223 0.013 0.000 2.131 106 L HA -0.132 4.208 4.340 0.000 0.000 0.210 106 L C 1.982 178.886 176.870 0.057 0.000 1.092 106 L CA 1.599 56.457 54.840 0.030 0.000 0.759 106 L CB -0.460 41.617 42.059 0.030 0.000 0.903 106 L HN 0.092 nan 8.230 nan 0.000 0.435 107 V N -5.796 114.171 119.914 0.088 0.000 3.432 107 V HA 0.433 4.553 4.120 0.000 0.000 0.298 107 V C 2.123 178.354 176.094 0.229 0.000 1.464 107 V CA 0.375 62.778 62.300 0.172 0.000 1.046 107 V CB -0.452 31.540 31.823 0.281 0.000 0.887 107 V HN 0.100 nan 8.190 nan 0.000 0.441 108 A N 1.647 124.553 122.820 0.143 0.000 1.948 108 A HA -0.218 4.102 4.320 0.000 0.000 0.220 108 A C 2.368 180.042 177.584 0.149 0.000 1.177 108 A CA 2.416 54.545 52.037 0.153 0.000 0.636 108 A CB -0.558 18.490 19.000 0.080 0.000 0.815 108 A HN 0.567 nan 8.150 nan 0.000 0.449 109 R N -0.581 119.968 120.500 0.081 0.000 2.115 109 R HA -0.071 4.269 4.340 0.000 0.000 0.230 109 R C 1.708 177.993 176.300 -0.025 0.000 1.111 109 R CA 1.094 57.212 56.100 0.029 0.000 0.976 109 R CB -0.181 30.123 30.300 0.008 0.000 0.870 109 R HN 0.531 nan 8.270 nan 0.000 0.445 110 E N -0.202 119.948 120.200 -0.083 0.000 2.265 110 E HA -0.147 4.204 4.350 0.000 0.000 0.196 110 E C 0.772 177.035 176.600 -0.562 0.000 0.996 110 E CA 1.095 57.283 56.400 -0.353 0.000 0.832 110 E CB 0.062 29.440 29.700 -0.537 0.000 0.756 110 E HN 0.375 nan 8.360 nan 0.000 0.491 111 F N 0.418 120.369 119.950 0.000 0.000 2.724 111 F HA 0.071 4.598 4.527 0.000 0.000 0.310 111 F C 1.064 176.863 175.800 -0.002 0.000 1.107 111 F CA -0.431 57.567 58.000 -0.003 0.000 1.218 111 F CB 0.327 39.326 39.000 -0.002 0.000 1.042 111 F HN -0.218 nan 8.300 nan 0.000 0.540 112 T N -2.380 112.237 114.554 0.106 0.000 2.748 112 T HA 0.003 4.353 4.350 0.000 0.000 0.304 112 T C 1.502 176.233 174.700 0.052 0.000 1.041 112 T CA -0.464 61.681 62.100 0.076 0.000 1.033 112 T CB 0.991 69.884 68.868 0.041 0.000 0.995 112 T HN 0.247 nan 8.240 nan 0.000 0.536 113 M N 0.706 120.332 119.600 0.043 0.000 2.117 113 M HA -0.092 4.388 4.480 0.000 0.000 0.262 113 M C 2.703 179.013 176.300 0.016 0.000 1.065 113 M CA 1.878 57.197 55.300 0.032 0.000 1.114 113 M CB -0.274 32.344 32.600 0.030 0.000 1.361 113 M HN 0.833 nan 8.290 nan 0.000 0.408 114 R N -0.496 120.010 120.500 0.011 0.000 2.092 114 R HA -0.179 4.162 4.340 0.000 0.000 0.231 114 R C 2.051 178.344 176.300 -0.011 0.000 1.119 114 R CA 1.658 57.758 56.100 0.001 0.000 0.970 114 R CB -0.561 29.739 30.300 0.000 0.000 0.864 114 R HN 0.182 nan 8.270 nan 0.000 0.440 115 R N 1.036 121.524 120.500 -0.020 0.000 2.073 115 R HA 0.024 4.364 4.340 0.000 0.000 0.229 115 R C 2.091 178.358 176.300 -0.056 0.000 1.120 115 R CA 1.319 57.390 56.100 -0.049 0.000 0.967 115 R CB -0.526 29.728 30.300 -0.077 0.000 0.862 115 R HN 0.151 nan 8.270 nan 0.000 0.436 116 V N 0.847 120.739 119.914 -0.037 0.000 2.490 116 V HA -0.173 3.947 4.120 0.000 0.000 0.250 116 V C 2.081 178.168 176.094 -0.012 0.000 1.061 116 V CA 1.995 64.280 62.300 -0.024 0.000 1.064 116 V CB -0.446 31.389 31.823 0.019 0.000 0.670 116 V HN 0.367 nan 8.190 nan 0.000 0.461 117 E N 0.507 120.704 120.200 -0.006 0.000 2.160 117 E HA -0.196 4.154 4.350 0.000 0.000 0.195 117 E C 1.944 178.538 176.600 -0.010 0.000 0.991 117 E CA 1.321 57.720 56.400 -0.002 0.000 0.810 117 E CB -0.422 29.279 29.700 0.002 0.000 0.742 117 E HN 0.609 nan 8.360 nan 0.000 0.466 118 L N -0.063 121.148 121.223 -0.019 0.000 2.265 118 L HA -0.135 4.205 4.340 0.000 0.000 0.215 118 L C 1.986 178.841 176.870 -0.024 0.000 1.117 118 L CA 0.587 55.413 54.840 -0.023 0.000 0.782 118 L CB -0.408 41.632 42.059 -0.031 0.000 0.914 118 L HN 0.189 nan 8.230 nan 0.000 0.441 119 L N -0.538 120.669 121.223 -0.026 0.000 2.552 119 L HA -0.052 4.288 4.340 0.000 0.000 0.227 119 L C 2.650 179.511 176.870 -0.014 0.000 1.146 119 L CA 0.239 55.065 54.840 -0.024 0.000 0.858 119 L CB -0.512 41.531 42.059 -0.027 0.000 0.969 119 L HN 0.272 nan 8.230 nan 0.000 0.451 120 R N 1.408 121.902 120.500 -0.009 0.000 2.083 120 R HA -0.166 4.174 4.340 0.000 0.000 0.237 120 R C -0.464 175.833 176.300 -0.006 0.000 1.137 120 R CA 1.722 57.820 56.100 -0.004 0.000 0.951 120 R CB -1.152 29.148 30.300 0.000 0.000 0.851 120 R HN 0.181 nan 8.270 nan 0.000 0.434 121 P HA -0.155 nan 4.420 nan 0.000 0.216 121 P C 0.786 178.080 177.300 -0.010 0.000 1.150 121 P CA 1.419 64.514 63.100 -0.009 0.000 0.837 121 P CB -0.095 31.600 31.700 -0.009 0.000 0.786 122 R N -0.263 120.230 120.500 -0.012 0.000 2.093 122 R HA -0.030 4.310 4.340 0.000 0.000 0.224 122 R C 1.837 178.129 176.300 -0.014 0.000 1.101 122 R CA 1.310 57.402 56.100 -0.014 0.000 0.979 122 R CB -1.414 28.876 30.300 -0.017 0.000 0.877 122 R HN -0.041 nan 8.270 nan 0.000 0.441 123 V N 0.934 120.840 119.914 -0.013 0.000 2.343 123 V HA -0.230 3.890 4.120 0.000 0.000 0.247 123 V C 2.339 178.426 176.094 -0.011 0.000 1.051 123 V CA 2.101 64.394 62.300 -0.012 0.000 1.036 123 V CB -0.659 31.160 31.823 -0.006 0.000 0.654 123 V HN 0.379 nan 8.190 nan 0.000 0.451 124 Q N 0.685 120.480 119.800 -0.009 0.000 2.096 124 Q HA -0.263 4.078 4.340 0.000 0.000 0.204 124 Q C 2.209 178.201 176.000 -0.013 0.000 0.982 124 Q CA 2.423 58.220 55.803 -0.009 0.000 0.850 124 Q CB -0.400 28.334 28.738 -0.007 0.000 0.901 124 Q HN 0.747 nan 8.270 nan 0.000 0.422 125 E N -0.498 119.695 120.200 -0.012 0.000 2.085 125 E HA -0.201 4.149 4.350 0.000 0.000 0.194 125 E C 1.880 178.472 176.600 -0.015 0.000 0.994 125 E CA 1.446 57.838 56.400 -0.013 0.000 0.801 125 E CB -0.236 29.457 29.700 -0.011 0.000 0.743 125 E HN 0.541 nan 8.360 nan 0.000 0.453 126 I N 0.356 120.916 120.570 -0.016 0.000 2.226 126 I HA -0.252 3.918 4.170 0.000 0.000 0.245 126 I C 2.384 178.489 176.117 -0.020 0.000 1.100 126 I CA 0.680 61.969 61.300 -0.018 0.000 1.374 126 I CB -0.143 37.843 38.000 -0.023 0.000 1.057 126 I HN 0.082 nan 8.210 nan 0.000 0.413 127 V N 0.732 120.634 119.914 -0.020 0.000 2.295 127 V HA -0.299 3.821 4.120 0.000 0.000 0.246 127 V C 2.082 178.159 176.094 -0.028 0.000 1.049 127 V CA 2.048 64.335 62.300 -0.022 0.000 1.024 127 V CB -0.653 31.158 31.823 -0.018 0.000 0.648 127 V HN 0.385 nan 8.190 nan 0.000 0.447 128 D N 0.618 121.002 120.400 -0.026 0.000 2.158 128 D HA -0.143 4.497 4.640 0.000 0.000 0.197 128 D C 2.122 178.404 176.300 -0.030 0.000 0.995 128 D CA 1.728 55.711 54.000 -0.030 0.000 0.846 128 D CB -0.515 40.272 40.800 -0.023 0.000 0.941 128 D HN 0.499 nan 8.370 nan 0.000 0.456 129 G N -0.102 108.684 108.800 -0.023 0.000 2.453 129 G HA2 -0.076 3.884 3.960 0.000 0.000 0.215 129 G HA3 -0.076 3.884 3.960 0.000 0.000 0.215 129 G C 1.737 176.626 174.900 -0.018 0.000 1.147 129 G CA -0.042 45.047 45.100 -0.018 0.000 0.802 129 G HN 0.242 nan 8.290 nan 0.000 0.535 130 L N 0.317 121.528 121.223 -0.020 0.000 2.156 130 L HA -0.009 4.331 4.340 0.000 0.000 0.208 130 L C 2.843 179.693 176.870 -0.034 0.000 1.095 130 L CA 0.264 55.095 54.840 -0.016 0.000 0.770 130 L CB -0.243 41.810 42.059 -0.010 0.000 0.914 130 L HN 0.069 nan 8.230 nan 0.000 0.439 131 V N -0.592 119.288 119.914 -0.057 0.000 2.407 131 V HA -0.217 3.903 4.120 0.000 0.000 0.245 131 V C 2.061 178.091 176.094 -0.106 0.000 1.041 131 V CA 1.479 63.717 62.300 -0.104 0.000 1.040 131 V CB -0.407 31.347 31.823 -0.115 0.000 0.671 131 V HN 0.366 nan 8.190 nan 0.000 0.455 132 D N 1.067 121.426 120.400 -0.067 0.000 2.127 132 D HA -0.235 4.405 4.640 0.000 0.000 0.190 132 D C 2.213 178.495 176.300 -0.029 0.000 1.000 132 D CA 2.107 56.079 54.000 -0.046 0.000 0.839 132 D CB -0.485 40.300 40.800 -0.026 0.000 0.955 132 D HN 0.427 nan 8.370 nan 0.000 0.446 133 A N 0.461 123.272 122.820 -0.015 0.000 1.972 133 A HA -0.164 4.156 4.320 0.000 0.000 0.219 133 A C 2.195 179.792 177.584 0.021 0.000 1.169 133 A CA 1.745 53.787 52.037 0.008 0.000 0.635 133 A CB -0.595 18.412 19.000 0.013 0.000 0.810 133 A HN 0.287 nan 8.150 nan 0.000 0.446 134 M N -0.696 118.897 119.600 -0.010 0.000 2.156 134 M HA -0.001 4.479 4.480 0.000 0.000 0.264 134 M C 1.600 177.930 176.300 0.051 0.000 1.067 134 M CA 1.457 56.764 55.300 0.013 0.000 1.131 134 M CB -0.171 32.383 32.600 -0.077 0.000 1.368 134 M HN 0.381 nan 8.290 nan 0.000 0.416 135 L N 0.069 121.246 121.223 -0.077 0.000 2.465 135 L HA -0.021 4.319 4.340 0.000 0.000 0.224 135 L C 2.416 179.386 176.870 0.166 0.000 1.145 135 L CA 0.437 55.259 54.840 -0.030 0.000 0.834 135 L CB -0.706 41.245 42.059 -0.181 0.000 0.944 135 L HN 0.359 nan 8.230 nan 0.000 0.451 136 A N 0.445 123.334 122.820 0.115 0.000 2.209 136 A HA 0.185 4.505 4.320 0.000 0.000 0.212 136 A C 1.425 179.092 177.584 0.138 0.000 1.158 136 A CA 0.525 52.628 52.037 0.110 0.000 0.742 136 A CB -0.464 18.575 19.000 0.065 0.000 0.790 136 A HN 0.290 nan 8.150 nan 0.000 0.472 137 A N 0.915 123.861 122.820 0.209 0.000 2.566 137 A HA 0.376 4.696 4.320 0.000 0.000 0.245 137 A C -0.646 176.999 177.584 0.102 0.000 1.056 137 A CA -0.409 51.725 52.037 0.163 0.000 0.757 137 A CB 0.038 19.167 19.000 0.214 0.000 0.979 137 A HN 0.309 nan 8.150 nan 0.000 0.508 138 P HA -0.095 nan 4.420 nan 0.000 0.217 138 P C 0.652 177.929 177.300 -0.038 0.000 1.154 138 P CA 1.323 64.431 63.100 0.014 0.000 0.841 138 P CB -0.020 31.683 31.700 0.005 0.000 0.788 139 D N -0.818 119.535 120.400 -0.077 0.000 2.378 139 D HA 0.016 4.656 4.640 0.000 0.000 0.227 139 D C 1.407 177.529 176.300 -0.296 0.000 1.012 139 D CA 0.873 54.786 54.000 -0.145 0.000 0.905 139 D CB -1.238 39.485 40.800 -0.129 0.000 0.895 139 D HN 0.280 nan 8.370 nan 0.000 0.532 140 G N 0.344 108.911 108.800 -0.388 0.000 2.160 140 G HA2 -0.332 3.628 3.960 0.000 0.000 0.251 140 G HA3 -0.332 3.628 3.960 0.000 0.000 0.251 140 G C 0.037 173.985 174.900 -1.586 0.000 1.008 140 G CA 0.130 44.614 45.100 -1.027 0.000 0.724 140 G HN 0.513 nan 8.290 nan 0.000 0.514 141 R N -0.421 119.579 120.500 -0.834 0.000 2.711 141 R HA 0.862 5.202 4.340 0.000 0.000 0.284 141 R C -0.030 176.190 176.300 -0.133 0.000 0.968 141 R CA -0.028 55.773 56.100 -0.498 0.000 0.924 141 R CB 2.131 32.276 30.300 -0.258 0.000 1.162 141 R HN 0.845 nan 8.270 nan 0.000 0.465 142 A N 0.910 123.772 122.820 0.071 0.000 2.599 142 A HA 0.312 4.632 4.320 0.000 0.000 0.290 142 A C -1.841 175.802 177.584 0.099 0.000 1.101 142 A CA -0.796 51.333 52.037 0.154 0.000 0.674 142 A CB 1.801 20.984 19.000 0.304 0.000 1.277 142 A HN 0.654 nan 8.150 nan 0.000 0.419 143 D N 0.718 121.155 120.400 0.062 0.000 2.347 143 D HA 0.295 4.935 4.640 0.000 0.000 0.235 143 D C 0.845 177.180 176.300 0.057 0.000 1.149 143 D CA -0.411 53.608 54.000 0.032 0.000 0.850 143 D CB 0.981 41.777 40.800 -0.007 0.000 1.061 143 D HN 0.394 nan 8.370 nan 0.000 0.487 144 L N 4.421 125.680 121.223 0.061 0.000 2.261 144 L HA -0.111 4.229 4.340 0.000 0.000 0.216 144 L C 1.768 178.677 176.870 0.064 0.000 1.114 144 L CA 1.632 56.512 54.840 0.067 0.000 0.777 144 L CB -0.283 41.815 42.059 0.064 0.000 0.910 144 L HN 0.604 nan 8.230 nan 0.000 0.440 145 M N -1.358 118.273 119.600 0.053 0.000 2.134 145 M HA -0.143 4.337 4.480 0.000 0.000 0.262 145 M C 2.193 178.566 176.300 0.122 0.000 1.076 145 M CA 1.699 57.050 55.300 0.086 0.000 1.143 145 M CB -0.503 32.127 32.600 0.050 0.000 1.346 145 M HN 0.274 nan 8.290 nan 0.000 0.421 146 E N 0.380 120.625 120.200 0.074 0.000 2.118 146 E HA -0.166 4.184 4.350 0.000 0.000 0.195 146 E C 1.714 178.373 176.600 0.099 0.000 0.992 146 E CA 1.643 58.090 56.400 0.078 0.000 0.804 146 E CB 0.177 29.895 29.700 0.030 0.000 0.741 146 E HN 0.336 nan 8.360 nan 0.000 0.458 147 S N -0.625 115.125 115.700 0.082 0.000 2.458 147 S HA 0.045 4.515 4.470 0.000 0.000 0.223 147 S C 1.346 175.980 174.600 0.058 0.000 1.019 147 S CA 0.656 58.897 58.200 0.069 0.000 0.937 147 S CB 0.303 63.542 63.200 0.065 0.000 0.788 147 S HN 0.313 nan 8.310 nan 0.000 0.511 148 L N -0.486 120.777 121.223 0.067 0.000 2.249 148 L HA 0.546 4.886 4.340 0.000 0.000 0.204 148 L C 1.823 178.725 176.870 0.053 0.000 1.135 148 L CA 0.934 55.800 54.840 0.043 0.000 1.070 148 L CB -1.002 41.067 42.059 0.017 0.000 2.194 148 L HN 0.036 nan 8.230 nan 0.000 0.504 149 A N 0.060 122.930 122.820 0.082 0.000 1.877 149 A HA -0.214 4.106 4.320 0.000 0.000 0.216 149 A C 2.126 179.774 177.584 0.106 0.000 1.186 149 A CA 1.970 54.061 52.037 0.090 0.000 0.620 149 A CB -1.286 17.783 19.000 0.115 0.000 0.822 149 A HN 0.742 nan 8.150 nan 0.000 0.443 150 W N 1.571 122.881 121.300 0.016 0.000 2.418 150 W HA -0.082 4.578 4.660 0.000 0.000 0.319 150 W C -1.069 175.437 176.519 -0.021 0.000 1.183 150 W CA 2.244 59.593 57.345 0.007 0.000 1.327 150 W CB -1.127 28.344 29.460 0.018 0.000 1.163 150 W HN 0.290 nan 8.180 nan 0.000 0.479 151 P HA -0.227 nan 4.420 nan 0.000 0.216 151 P C 2.002 179.201 177.300 -0.167 0.000 1.150 151 P CA 1.598 64.663 63.100 -0.059 0.000 0.837 151 P CB -0.491 31.249 31.700 0.066 0.000 0.786 152 L N 1.121 122.274 121.223 -0.117 0.000 1.971 152 L HA -0.082 4.258 4.340 0.000 0.000 0.215 152 L C -0.766 176.001 176.870 -0.171 0.000 1.072 152 L CA 3.036 57.809 54.840 -0.112 0.000 0.758 152 L CB -2.377 39.646 42.059 -0.060 0.000 0.889 152 L HN -0.006 nan 8.230 nan 0.000 0.433 153 P HA -0.082 nan 4.420 nan 0.000 0.217 153 P C 2.124 179.218 177.300 -0.345 0.000 1.151 153 P CA 1.545 64.498 63.100 -0.246 0.000 0.828 153 P CB -0.060 31.475 31.700 -0.275 0.000 0.788 154 I N -0.883 119.338 120.570 -0.582 0.000 2.151 154 I HA -0.280 3.891 4.170 0.000 0.000 0.243 154 I C 1.998 177.946 176.117 -0.282 0.000 1.080 154 I CA 1.874 62.799 61.300 -0.625 0.000 1.339 154 I CB -1.199 36.346 38.000 -0.759 0.000 1.039 154 I HN 0.018 nan 8.210 nan 0.000 0.409 155 T N 0.416 114.851 114.554 -0.199 0.000 2.777 155 T HA -0.105 4.245 4.350 0.000 0.000 0.266 155 T C 2.014 176.670 174.700 -0.073 0.000 1.040 155 T CA 1.188 63.229 62.100 -0.098 0.000 1.141 155 T CB -0.304 68.523 68.868 -0.069 0.000 0.868 155 T HN 0.108 nan 8.240 nan 0.000 0.444 156 V N 1.118 120.983 119.914 -0.081 0.000 2.295 156 V HA -0.110 4.010 4.120 0.000 0.000 0.246 156 V C 2.328 178.406 176.094 -0.026 0.000 1.049 156 V CA 1.358 63.630 62.300 -0.046 0.000 1.024 156 V CB -0.504 31.297 31.823 -0.037 0.000 0.648 156 V HN 0.359 nan 8.190 nan 0.000 0.447 157 I N -0.388 120.163 120.570 -0.031 0.000 2.500 157 I HA -0.115 4.056 4.170 0.000 0.000 0.252 157 I C 2.464 178.595 176.117 0.024 0.000 1.142 157 I CA 1.268 62.582 61.300 0.023 0.000 1.451 157 I CB -0.181 37.849 38.000 0.050 0.000 1.093 157 I HN 0.161 nan 8.210 nan 0.000 0.430 158 S N 0.258 115.957 115.700 -0.001 0.000 2.370 158 S HA -0.214 4.256 4.470 0.000 0.000 0.226 158 S C 1.884 176.485 174.600 0.002 0.000 1.033 158 S CA 1.667 59.870 58.200 0.004 0.000 1.011 158 S CB -0.306 62.895 63.200 0.002 0.000 0.852 158 S HN 0.547 nan 8.310 nan 0.000 0.457 159 E N 0.194 120.391 120.200 -0.006 0.000 2.112 159 E HA -0.020 4.330 4.350 0.000 0.000 0.190 159 E C 1.915 178.509 176.600 -0.010 0.000 0.979 159 E CA 0.360 56.755 56.400 -0.008 0.000 0.814 159 E CB -0.087 29.605 29.700 -0.014 0.000 0.762 159 E HN 0.184 nan 8.360 nan 0.000 0.460 160 L N 0.852 122.069 121.223 -0.009 0.000 2.017 160 L HA -0.175 4.165 4.340 0.000 0.000 0.208 160 L C 2.033 178.900 176.870 -0.005 0.000 1.073 160 L CA 1.568 56.397 54.840 -0.018 0.000 0.745 160 L CB -0.520 41.535 42.059 -0.007 0.000 0.894 160 L HN 0.229 nan 8.230 nan 0.000 0.432 161 L N -0.949 120.284 121.223 0.017 0.000 2.341 161 L HA 0.145 4.485 4.340 0.000 0.000 0.214 161 L C 1.227 178.102 176.870 0.008 0.000 1.115 161 L CA 1.305 56.159 54.840 0.023 0.000 0.820 161 L CB -1.193 40.887 42.059 0.034 0.000 0.944 161 L HN 0.583 nan 8.230 nan 0.000 0.452 162 G N 0.405 109.208 108.800 0.005 0.000 2.270 162 G HA2 -0.196 3.764 3.960 0.000 0.000 0.224 162 G HA3 -0.196 3.764 3.960 0.000 0.000 0.224 162 G C -0.051 174.860 174.900 0.018 0.000 1.079 162 G CA 0.026 45.131 45.100 0.007 0.000 0.807 162 G HN 0.078 nan 8.290 nan 0.000 0.492 163 V N 1.649 121.574 119.914 0.018 0.000 2.385 163 V HA 0.372 4.492 4.120 0.000 0.000 0.269 163 V C -1.317 174.814 176.094 0.061 0.000 1.043 163 V CA -1.444 60.883 62.300 0.046 0.000 0.906 163 V CB 1.349 33.167 31.823 -0.009 0.000 0.995 163 V HN 0.212 nan 8.190 nan 0.000 0.467 164 P HA 0.059 nan 4.420 nan 0.000 0.268 164 P C 0.833 178.172 177.300 0.066 0.000 1.205 164 P CA -0.041 63.103 63.100 0.072 0.000 0.771 164 P CB 0.760 32.513 31.700 0.089 0.000 0.858 165 E N 5.673 125.901 120.200 0.047 0.000 2.086 165 E HA -0.221 4.129 4.350 0.000 0.000 0.200 165 E C -0.975 175.651 176.600 0.043 0.000 1.012 165 E CA 2.412 58.837 56.400 0.041 0.000 0.812 165 E CB -2.121 27.598 29.700 0.031 0.000 0.743 165 E HN 0.363 nan 8.360 nan 0.000 0.453 166 P HA -0.068 nan 4.420 nan 0.000 0.221 166 P C 0.301 177.617 177.300 0.027 0.000 1.145 166 P CA 1.487 64.608 63.100 0.036 0.000 0.795 166 P CB -0.040 31.686 31.700 0.044 0.000 0.775 167 D N -1.252 119.173 120.400 0.042 0.000 2.323 167 D HA 0.005 4.646 4.640 0.000 0.000 0.209 167 D C 1.905 178.180 176.300 -0.042 0.000 0.973 167 D CA 0.486 54.479 54.000 -0.011 0.000 0.874 167 D CB -0.251 40.596 40.800 0.078 0.000 0.930 167 D HN 0.190 nan 8.370 nan 0.000 0.521 168 R N 0.682 121.205 120.500 0.037 0.000 2.115 168 R HA 0.060 4.400 4.340 0.000 0.000 0.230 168 R C 2.157 178.538 176.300 0.135 0.000 1.111 168 R CA 1.081 57.255 56.100 0.124 0.000 0.976 168 R CB -0.130 30.249 30.300 0.131 0.000 0.870 168 R HN 0.064 nan 8.270 nan 0.000 0.445 169 A N 1.576 124.417 122.820 0.035 0.000 1.873 169 A HA -0.077 4.243 4.320 0.000 0.000 0.215 169 A C 2.419 179.919 177.584 -0.141 0.000 1.186 169 A CA 1.552 53.584 52.037 -0.008 0.000 0.616 169 A CB -0.708 18.273 19.000 -0.033 0.000 0.823 169 A HN 0.360 nan 8.150 nan 0.000 0.442 170 A N -1.093 121.564 122.820 -0.272 0.000 1.883 170 A HA -0.130 4.190 4.320 0.000 0.000 0.217 170 A C 2.041 179.120 177.584 -0.843 0.000 1.186 170 A CA 1.764 53.417 52.037 -0.639 0.000 0.624 170 A CB -0.876 17.694 19.000 -0.716 0.000 0.822 170 A HN 0.599 nan 8.150 nan 0.000 0.444 171 F N 0.499 120.110 119.950 -0.564 0.000 2.115 171 F HA -0.240 4.287 4.527 0.000 0.000 0.300 171 F C 2.484 178.262 175.800 -0.037 0.000 1.092 171 F CA 2.249 60.128 58.000 -0.202 0.000 1.245 171 F CB -0.206 38.782 39.000 -0.020 0.000 0.995 171 F HN 0.213 nan 8.300 nan 0.000 0.481 172 R N 0.076 120.645 120.500 0.115 0.000 2.081 172 R HA -0.138 4.202 4.340 0.000 0.000 0.235 172 R C 2.132 178.366 176.300 -0.110 0.000 1.131 172 R CA 1.891 58.118 56.100 0.212 0.000 0.960 172 R CB -0.676 29.815 30.300 0.318 0.000 0.856 172 R HN 0.273 nan 8.270 nan 0.000 0.436 173 V N 0.383 120.141 119.914 -0.259 0.000 2.287 173 V HA -0.288 3.832 4.120 0.000 0.000 0.248 173 V C 2.333 178.317 176.094 -0.184 0.000 1.053 173 V CA 1.839 63.974 62.300 -0.276 0.000 1.027 173 V CB -0.730 30.893 31.823 -0.333 0.000 0.646 173 V HN 0.417 nan 8.190 nan 0.000 0.447 174 W N 0.874 122.072 121.300 -0.170 0.000 2.329 174 W HA -0.200 4.460 4.660 0.000 0.000 0.324 174 W C 2.972 179.304 176.519 -0.312 0.000 1.222 174 W CA 2.433 59.696 57.345 -0.137 0.000 1.270 174 W CB -1.898 27.476 29.460 -0.143 0.000 1.167 174 W HN 0.495 nan 8.180 nan 0.000 0.467 175 T N -1.634 112.764 114.554 -0.260 0.000 2.946 175 T HA -0.174 4.176 4.350 0.000 0.000 0.271 175 T C 1.191 175.538 174.700 -0.588 0.000 1.104 175 T CA 1.876 63.581 62.100 -0.658 0.000 1.114 175 T CB -0.245 68.371 68.868 -0.421 0.000 0.867 175 T HN -0.116 nan 8.240 nan 0.000 0.513 176 D N 1.505 121.711 120.400 -0.323 0.000 2.149 176 D HA 0.251 4.891 4.640 0.000 0.000 0.206 176 D C 2.484 178.656 176.300 -0.212 0.000 0.967 176 D CA 1.266 55.130 54.000 -0.226 0.000 0.848 176 D CB -0.758 39.938 40.800 -0.172 0.000 0.998 176 D HN 0.537 nan 8.370 nan 0.000 0.474 177 A N 0.317 123.057 122.820 -0.135 0.000 2.131 177 A HA -0.150 4.170 4.320 0.000 0.000 0.220 177 A C 1.586 179.215 177.584 0.074 0.000 1.158 177 A CA 1.399 53.445 52.037 0.015 0.000 0.665 177 A CB -0.753 18.326 19.000 0.132 0.000 0.795 177 A HN 0.431 nan 8.150 nan 0.000 0.460 178 F N -4.538 115.410 119.950 -0.003 0.000 2.831 178 F HA 0.379 4.906 4.527 0.000 0.000 0.334 178 F C 1.206 176.961 175.800 -0.074 0.000 1.071 178 F CA -0.070 57.916 58.000 -0.024 0.000 1.172 178 F CB -0.125 38.861 39.000 -0.024 0.000 1.054 178 F HN -0.122 nan 8.300 nan 0.000 0.572 179 V N 0.299 119.926 119.914 -0.479 0.000 2.407 179 V HA -0.019 4.101 4.120 0.000 0.000 0.245 179 V C 0.229 176.012 176.094 -0.519 0.000 1.041 179 V CA 1.476 63.474 62.300 -0.503 0.000 1.040 179 V CB -0.429 30.955 31.823 -0.731 0.000 0.671 179 V HN 0.270 nan 8.190 nan 0.000 0.455 180 F N -0.181 119.650 119.950 -0.198 0.000 2.449 180 F HA 0.370 4.897 4.527 0.000 0.000 0.329 180 F C -1.496 174.235 175.800 -0.114 0.000 1.245 180 F CA -1.804 56.072 58.000 -0.207 0.000 1.193 180 F CB 0.604 39.311 39.000 -0.488 0.000 1.425 180 F HN 0.126 nan 8.300 nan 0.000 0.544 181 P HA -0.087 nan 4.420 nan 0.000 0.199 181 P C 1.142 178.497 177.300 0.093 0.000 1.085 181 P CA 2.864 66.024 63.100 0.101 0.000 0.924 181 P CB 0.002 31.765 31.700 0.104 0.000 0.736 182 D N -3.478 116.979 120.400 0.095 0.000 2.330 182 D HA -0.119 4.521 4.640 0.000 0.000 0.168 182 D C -0.174 176.164 176.300 0.064 0.000 0.992 182 D CA 1.188 55.235 54.000 0.079 0.000 1.025 182 D CB -2.511 38.332 40.800 0.071 0.000 1.089 182 D HN 0.540 nan 8.370 nan 0.000 0.487 183 D N -2.300 118.139 120.400 0.064 0.000 2.861 183 D HA 0.466 5.106 4.640 0.000 0.000 0.216 183 D C -2.529 173.805 176.300 0.056 0.000 1.323 183 D CA -1.140 52.892 54.000 0.053 0.000 0.917 183 D CB 1.252 42.078 40.800 0.044 0.000 1.582 183 D HN 0.120 nan 8.370 nan 0.000 0.576 184 P HA -0.097 nan 4.420 nan 0.000 0.215 184 P C 1.443 178.763 177.300 0.034 0.000 1.153 184 P CA 2.108 65.236 63.100 0.046 0.000 0.853 184 P CB 0.267 31.990 31.700 0.039 0.000 0.788 185 A N -0.125 122.712 122.820 0.028 0.000 1.972 185 A HA -0.256 4.064 4.320 0.000 0.000 0.219 185 A C 2.372 179.973 177.584 0.027 0.000 1.169 185 A CA 1.617 53.665 52.037 0.019 0.000 0.635 185 A CB -1.305 17.705 19.000 0.016 0.000 0.810 185 A HN 0.225 nan 8.150 nan 0.000 0.446 186 Q N -0.184 119.643 119.800 0.045 0.000 2.050 186 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 186 Q C 2.184 178.236 176.000 0.086 0.000 0.980 186 Q CA 1.754 57.596 55.803 0.065 0.000 0.840 186 Q CB -0.391 28.389 28.738 0.070 0.000 0.898 186 Q HN 0.553 nan 8.270 nan 0.000 0.424 187 A N 0.999 123.874 122.820 0.092 0.000 1.883 187 A HA -0.245 4.075 4.320 0.000 0.000 0.217 187 A C 2.088 179.697 177.584 0.043 0.000 1.186 187 A CA 1.680 53.795 52.037 0.131 0.000 0.624 187 A CB -0.606 18.470 19.000 0.127 0.000 0.822 187 A HN 0.468 nan 8.150 nan 0.000 0.444 188 Q N -0.492 119.301 119.800 -0.011 0.000 2.020 188 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 188 Q C 2.282 178.225 176.000 -0.094 0.000 0.982 188 Q CA 2.148 57.906 55.803 -0.076 0.000 0.838 188 Q CB -1.364 27.339 28.738 -0.059 0.000 0.899 188 Q HN 0.684 nan 8.270 nan 0.000 0.423 189 T N 1.696 116.224 114.554 -0.043 0.000 2.665 189 T HA -0.182 4.168 4.350 0.000 0.000 0.268 189 T C 1.864 176.515 174.700 -0.081 0.000 1.035 189 T CA 1.771 63.846 62.100 -0.042 0.000 1.151 189 T CB -0.345 68.533 68.868 0.017 0.000 0.862 189 T HN 0.451 nan 8.240 nan 0.000 0.438 190 A N 1.067 123.883 122.820 -0.006 0.000 1.898 190 A HA -0.005 4.315 4.320 0.000 0.000 0.216 190 A C 2.370 179.799 177.584 -0.258 0.000 1.181 190 A CA 1.449 53.485 52.037 -0.003 0.000 0.620 190 A CB -0.657 18.553 19.000 0.350 0.000 0.819 190 A HN 0.444 nan 8.150 nan 0.000 0.442 191 M N -0.642 118.783 119.600 -0.292 0.000 2.086 191 M HA -0.165 4.315 4.480 0.000 0.000 0.261 191 M C 2.575 178.625 176.300 -0.416 0.000 1.067 191 M CA 1.450 56.434 55.300 -0.526 0.000 1.116 191 M CB -0.426 31.832 32.600 -0.570 0.000 1.348 191 M HN 0.501 nan 8.290 nan 0.000 0.407 192 A N 0.280 122.911 122.820 -0.316 0.000 1.908 192 A HA -0.214 4.106 4.320 0.000 0.000 0.218 192 A C 1.882 179.271 177.584 -0.324 0.000 1.181 192 A CA 1.984 53.862 52.037 -0.264 0.000 0.627 192 A CB -0.756 18.135 19.000 -0.182 0.000 0.818 192 A HN 0.555 nan 8.150 nan 0.000 0.445 193 E N -1.225 118.699 120.200 -0.460 0.000 2.106 193 E HA -0.168 4.182 4.350 0.000 0.000 0.192 193 E C 2.042 178.048 176.600 -0.991 0.000 0.984 193 E CA 1.290 57.279 56.400 -0.685 0.000 0.806 193 E CB -0.225 28.987 29.700 -0.813 0.000 0.750 193 E HN 0.735 nan 8.360 nan 0.000 0.458 194 M N 0.523 119.495 119.600 -1.046 0.000 2.117 194 M HA -0.186 4.294 4.480 0.000 0.000 0.262 194 M C 2.395 178.611 176.300 -0.140 0.000 1.065 194 M CA 1.549 56.510 55.300 -0.565 0.000 1.114 194 M CB -0.010 32.456 32.600 -0.224 0.000 1.361 194 M HN 0.037 nan 8.290 nan 0.000 0.408 195 S N -0.135 115.432 115.700 -0.222 0.000 2.368 195 S HA -0.067 4.403 4.470 0.000 0.000 0.224 195 S C 1.998 176.539 174.600 -0.099 0.000 1.029 195 S CA 1.538 59.654 58.200 -0.140 0.000 0.988 195 S CB -1.022 62.056 63.200 -0.204 0.000 0.838 195 S HN 0.681 nan 8.310 nan 0.000 0.462 196 G N -0.003 108.717 108.800 -0.133 0.000 2.446 196 G HA2 -0.253 3.707 3.960 0.000 0.000 0.217 196 G HA3 -0.253 3.707 3.960 0.000 0.000 0.217 196 G C 1.328 176.220 174.900 -0.014 0.000 1.168 196 G CA 1.116 46.171 45.100 -0.075 0.000 0.771 196 G HN 0.651 nan 8.290 nan 0.000 0.551 197 Y N 1.156 121.422 120.300 -0.057 0.000 2.128 197 Y HA -0.104 4.446 4.550 0.000 0.000 0.284 197 Y C 2.554 178.526 175.900 0.120 0.000 1.154 197 Y CA 1.609 59.771 58.100 0.104 0.000 1.149 197 Y CB -0.307 38.336 38.460 0.304 0.000 0.976 197 Y HN 0.125 nan 8.280 nan 0.000 0.505 198 L N -1.071 120.120 121.223 -0.053 0.000 2.056 198 L HA -0.212 4.128 4.340 0.000 0.000 0.207 198 L C 2.549 179.328 176.870 -0.151 0.000 1.078 198 L CA 1.413 56.193 54.840 -0.100 0.000 0.749 198 L CB -0.727 41.406 42.059 0.123 0.000 0.901 198 L HN 0.155 nan 8.230 nan 0.000 0.433 199 S N -0.260 115.379 115.700 -0.102 0.000 2.359 199 S HA -0.197 4.273 4.470 0.000 0.000 0.224 199 S C 2.047 176.577 174.600 -0.117 0.000 1.035 199 S CA 1.338 59.483 58.200 -0.092 0.000 1.018 199 S CB -0.215 62.943 63.200 -0.070 0.000 0.876 199 S HN 0.365 nan 8.310 nan 0.000 0.448 200 R N 0.227 120.638 120.500 -0.150 0.000 2.075 200 R HA 0.013 4.353 4.340 0.000 0.000 0.232 200 R C 2.329 178.516 176.300 -0.190 0.000 1.126 200 R CA 0.940 56.958 56.100 -0.136 0.000 0.963 200 R CB -0.555 29.688 30.300 -0.094 0.000 0.858 200 R HN 0.262 nan 8.270 nan 0.000 0.435 201 L N 1.328 122.333 121.223 -0.364 0.000 2.012 201 L HA -0.178 4.162 4.340 0.000 0.000 0.210 201 L C 1.978 178.756 176.870 -0.154 0.000 1.073 201 L CA 1.674 56.328 54.840 -0.311 0.000 0.748 201 L CB -0.359 41.418 42.059 -0.471 0.000 0.891 201 L HN 0.128 nan 8.230 nan 0.000 0.431 202 I N -0.487 120.003 120.570 -0.133 0.000 2.163 202 I HA -0.313 3.857 4.170 0.000 0.000 0.243 202 I C 2.053 178.135 176.117 -0.058 0.000 1.085 202 I CA 1.565 62.821 61.300 -0.074 0.000 1.347 202 I CB -0.417 37.548 38.000 -0.058 0.000 1.044 202 I HN 0.297 nan 8.210 nan 0.000 0.408 203 D N 0.104 120.466 120.400 -0.063 0.000 2.144 203 D HA -0.165 4.475 4.640 0.000 0.000 0.199 203 D C 2.377 178.655 176.300 -0.036 0.000 0.984 203 D CA 1.713 55.687 54.000 -0.044 0.000 0.834 203 D CB -0.267 40.507 40.800 -0.043 0.000 0.955 203 D HN 0.351 nan 8.370 nan 0.000 0.465 204 S N 0.150 115.823 115.700 -0.044 0.000 2.442 204 S HA -0.129 4.341 4.470 0.000 0.000 0.236 204 S C 1.653 176.240 174.600 -0.021 0.000 1.007 204 S CA 0.723 58.906 58.200 -0.028 0.000 0.965 204 S CB -0.054 63.129 63.200 -0.028 0.000 0.773 204 S HN 0.037 nan 8.310 nan 0.000 0.504 205 K N 1.257 121.642 120.400 -0.026 0.000 2.228 205 K HA 0.152 4.472 4.320 0.000 0.000 0.202 205 K C 0.705 177.297 176.600 -0.014 0.000 1.051 205 K CA 0.224 56.501 56.287 -0.017 0.000 0.960 205 K CB -0.341 32.148 32.500 -0.019 0.000 0.743 205 K HN 0.489 nan 8.250 nan 0.000 0.458 206 R N 0.718 121.208 120.500 -0.016 0.000 2.502 206 R HA 0.024 4.364 4.340 0.000 0.000 0.292 206 R C 0.879 177.174 176.300 -0.009 0.000 0.998 206 R CA 0.902 56.995 56.100 -0.013 0.000 1.056 206 R CB -0.229 30.063 30.300 -0.014 0.000 0.939 206 R HN 0.455 nan 8.270 nan 0.000 0.411 207 G N 2.332 111.127 108.800 -0.008 0.000 2.155 207 G HA2 -0.279 3.681 3.960 0.000 0.000 0.257 207 G HA3 -0.279 3.681 3.960 0.000 0.000 0.257 207 G C 0.658 175.555 174.900 -0.004 0.000 0.983 207 G CA 0.077 45.174 45.100 -0.006 0.000 0.676 207 G HN 0.594 nan 8.290 nan 0.000 0.528 208 Q N 0.250 120.047 119.800 -0.005 0.000 2.360 208 Q HA 0.144 4.484 4.340 0.000 0.000 0.202 208 Q C 0.781 176.779 176.000 -0.003 0.000 0.915 208 Q CA 0.677 56.479 55.803 -0.003 0.000 0.943 208 Q CB 0.242 28.978 28.738 -0.002 0.000 1.064 208 Q HN 0.640 nan 8.270 nan 0.000 0.511 209 D N 0.443 120.840 120.400 -0.004 0.000 2.811 209 D HA -0.149 4.491 4.640 0.000 0.000 0.231 209 D C 0.459 176.756 176.300 -0.005 0.000 1.157 209 D CA 1.354 55.351 54.000 -0.005 0.000 0.716 209 D CB -1.635 39.162 40.800 -0.004 0.000 1.077 209 D HN 0.371 nan 8.370 nan 0.000 0.428 210 G N -0.128 108.669 108.800 -0.005 0.000 2.569 210 G HA2 0.265 4.226 3.960 0.000 0.000 0.249 210 G HA3 0.265 4.226 3.960 0.000 0.000 0.249 210 G C 0.803 175.698 174.900 -0.008 0.000 1.216 210 G CA -0.220 44.877 45.100 -0.006 0.000 0.845 210 G HN -0.022 nan 8.290 nan 0.000 0.568 211 E N -0.254 119.940 120.200 -0.010 0.000 2.526 211 E HA 0.067 4.417 4.350 0.000 0.000 0.208 211 E C 0.376 176.965 176.600 -0.019 0.000 0.997 211 E CA -0.061 56.330 56.400 -0.014 0.000 0.961 211 E CB 0.358 30.049 29.700 -0.015 0.000 1.030 211 E HN 0.801 nan 8.360 nan 0.000 0.483 212 D N -0.600 119.791 120.400 -0.015 0.000 2.371 212 D HA -0.027 4.613 4.640 0.000 0.000 0.242 212 D C 1.328 177.618 176.300 -0.017 0.000 1.218 212 D CA -0.509 53.480 54.000 -0.018 0.000 0.945 212 D CB 1.038 41.832 40.800 -0.010 0.000 1.137 212 D HN -0.162 nan 8.370 nan 0.000 0.464 213 L N 0.599 121.811 121.223 -0.018 0.000 2.046 213 L HA -0.051 4.289 4.340 0.000 0.000 0.208 213 L C 1.770 178.646 176.870 0.010 0.000 1.077 213 L CA 1.448 56.283 54.840 -0.009 0.000 0.747 213 L CB -0.978 41.076 42.059 -0.008 0.000 0.896 213 L HN 0.654 nan 8.230 nan 0.000 0.432 214 L N -1.064 120.167 121.223 0.013 0.000 2.046 214 L HA -0.144 4.196 4.340 0.000 0.000 0.208 214 L C 2.505 179.377 176.870 0.003 0.000 1.077 214 L CA 1.953 56.801 54.840 0.013 0.000 0.747 214 L CB -0.895 41.168 42.059 0.007 0.000 0.896 214 L HN 0.287 nan 8.230 nan 0.000 0.432 215 S N -0.227 115.472 115.700 -0.002 0.000 2.370 215 S HA -0.192 4.278 4.470 0.000 0.000 0.226 215 S C 2.091 176.689 174.600 -0.003 0.000 1.033 215 S CA 1.178 59.375 58.200 -0.005 0.000 1.011 215 S CB -0.609 62.587 63.200 -0.007 0.000 0.852 215 S HN 0.669 nan 8.310 nan 0.000 0.457 216 A N 1.236 124.054 122.820 -0.003 0.000 1.902 216 A HA 0.010 4.330 4.320 0.000 0.000 0.217 216 A C 2.118 179.705 177.584 0.004 0.000 1.181 216 A CA 1.114 53.150 52.037 -0.002 0.000 0.623 216 A CB -0.659 18.337 19.000 -0.006 0.000 0.818 216 A HN 0.454 nan 8.150 nan 0.000 0.443 217 L N -0.575 120.654 121.223 0.011 0.000 2.093 217 L HA -0.134 4.206 4.340 0.000 0.000 0.208 217 L C 2.525 179.400 176.870 0.009 0.000 1.085 217 L CA 0.840 55.690 54.840 0.017 0.000 0.755 217 L CB -0.492 41.584 42.059 0.029 0.000 0.904 217 L HN 0.246 nan 8.230 nan 0.000 0.435 218 V N -0.043 119.873 119.914 0.003 0.000 2.287 218 V HA -0.314 3.806 4.120 0.000 0.000 0.248 218 V C 2.623 178.715 176.094 -0.003 0.000 1.053 218 V CA 1.825 64.123 62.300 -0.003 0.000 1.027 218 V CB -0.653 31.165 31.823 -0.009 0.000 0.646 218 V HN 0.427 nan 8.190 nan 0.000 0.447 219 R N -0.364 120.134 120.500 -0.003 0.000 2.083 219 R HA -0.155 4.185 4.340 0.000 0.000 0.237 219 R C 2.438 178.738 176.300 -0.001 0.000 1.137 219 R CA 1.968 58.067 56.100 -0.003 0.000 0.951 219 R CB -0.873 29.425 30.300 -0.003 0.000 0.851 219 R HN 0.509 nan 8.270 nan 0.000 0.434 220 T N 0.336 114.892 114.554 0.002 0.000 2.635 220 T HA -0.223 4.127 4.350 0.000 0.000 0.267 220 T C 1.939 176.641 174.700 0.003 0.000 1.040 220 T CA 1.972 64.074 62.100 0.004 0.000 1.156 220 T CB -0.342 68.531 68.868 0.009 0.000 0.863 220 T HN 0.261 nan 8.240 nan 0.000 0.430 221 S N 0.553 116.255 115.700 0.003 0.000 2.368 221 S HA -0.148 4.322 4.470 0.000 0.000 0.225 221 S C 1.700 176.298 174.600 -0.004 0.000 1.030 221 S CA 1.358 59.558 58.200 -0.001 0.000 0.999 221 S CB -0.506 62.692 63.200 -0.002 0.000 0.844 221 S HN 0.378 nan 8.310 nan 0.000 0.459 222 D N 0.936 121.333 120.400 -0.005 0.000 2.224 222 D HA 0.000 4.640 4.640 0.000 0.000 0.205 222 D C 1.939 178.236 176.300 -0.005 0.000 0.965 222 D CA 0.770 54.765 54.000 -0.007 0.000 0.852 222 D CB -0.259 40.536 40.800 -0.008 0.000 0.947 222 D HN 0.605 nan 8.370 nan 0.000 0.494 223 E N -0.210 119.988 120.200 -0.003 0.000 2.152 223 E HA -0.056 4.294 4.350 0.000 0.000 0.192 223 E C 0.105 176.704 176.600 -0.001 0.000 0.983 223 E CA 0.656 57.054 56.400 -0.002 0.000 0.818 223 E CB 0.413 30.112 29.700 -0.001 0.000 0.758 223 E HN 0.014 nan 8.360 nan 0.000 0.467 224 D N -1.372 119.028 120.400 -0.001 0.000 2.312 224 D HA 0.081 4.722 4.640 0.000 0.000 0.229 224 D C 0.297 176.597 176.300 0.000 0.000 1.337 224 D CA -0.140 53.860 54.000 0.000 0.000 0.964 224 D CB 0.926 41.727 40.800 0.002 0.000 1.456 224 D HN 0.055 nan 8.370 nan 0.000 0.547 225 G N 1.205 110.004 108.800 -0.002 0.000 2.598 225 G HA2 -0.143 3.817 3.960 0.000 0.000 0.215 225 G HA3 -0.143 3.817 3.960 0.000 0.000 0.215 225 G C 1.303 176.203 174.900 -0.001 0.000 1.131 225 G CA 1.008 46.105 45.100 -0.005 0.000 0.785 225 G HN 0.463 nan 8.290 nan 0.000 0.539 226 S N 0.084 115.786 115.700 0.003 0.000 2.496 226 S HA 0.083 4.553 4.470 0.000 0.000 0.224 226 S C 2.115 176.723 174.600 0.012 0.000 0.996 226 S CA 0.066 58.271 58.200 0.008 0.000 0.927 226 S CB -0.088 63.117 63.200 0.009 0.000 0.774 226 S HN 0.423 nan 8.310 nan 0.000 0.524 227 R N -0.082 120.425 120.500 0.010 0.000 2.119 227 R HA 0.316 4.656 4.340 0.000 0.000 0.222 227 R C -0.407 175.902 176.300 0.016 0.000 1.088 227 R CA 0.591 56.699 56.100 0.013 0.000 0.984 227 R CB -0.162 30.144 30.300 0.010 0.000 0.884 227 R HN 0.387 nan 8.270 nan 0.000 0.447 228 L N 1.135 122.366 121.223 0.013 0.000 2.676 228 L HA 0.148 4.489 4.340 0.000 0.000 0.262 228 L C -0.344 176.529 176.870 0.005 0.000 0.965 228 L CA -0.366 54.483 54.840 0.016 0.000 0.920 228 L CB 1.580 43.649 42.059 0.017 0.000 1.260 228 L HN 0.065 nan 8.230 nan 0.000 0.422 229 T N 0.066 114.620 114.554 0.000 0.000 2.766 229 T HA 0.297 4.647 4.350 0.000 0.000 0.295 229 T C 1.330 176.008 174.700 -0.037 0.000 1.024 229 T CA 0.152 62.238 62.100 -0.024 0.000 1.018 229 T CB 0.993 69.835 68.868 -0.043 0.000 1.002 229 T HN 0.770 nan 8.240 nan 0.000 0.532 230 S N 0.346 116.014 115.700 -0.053 0.000 2.402 230 S HA -0.113 4.357 4.470 0.000 0.000 0.229 230 S C 1.582 176.138 174.600 -0.074 0.000 1.021 230 S CA 0.842 59.010 58.200 -0.053 0.000 0.974 230 S CB -0.658 62.510 63.200 -0.052 0.000 0.800 230 S HN 0.800 nan 8.310 nan 0.000 0.484 231 E N 1.844 121.964 120.200 -0.133 0.000 2.110 231 E HA -0.065 4.285 4.350 0.000 0.000 0.193 231 E C 2.073 178.618 176.600 -0.092 0.000 0.988 231 E CA 1.524 57.804 56.400 -0.200 0.000 0.804 231 E CB -0.329 29.076 29.700 -0.492 0.000 0.745 231 E HN 0.743 nan 8.360 nan 0.000 0.458 232 E N 0.009 120.183 120.200 -0.043 0.000 2.107 232 E HA -0.120 4.230 4.350 0.000 0.000 0.191 232 E C 1.945 178.578 176.600 0.054 0.000 0.982 232 E CA 0.478 56.913 56.400 0.059 0.000 0.809 232 E CB -0.066 29.674 29.700 0.067 0.000 0.756 232 E HN 0.111 nan 8.360 nan 0.000 0.459 233 L N 1.095 122.332 121.223 0.023 0.000 2.017 233 L HA -0.152 4.188 4.340 0.000 0.000 0.208 233 L C 2.177 179.069 176.870 0.037 0.000 1.073 233 L CA 1.412 56.269 54.840 0.027 0.000 0.745 233 L CB -0.498 41.565 42.059 0.006 0.000 0.894 233 L HN 0.140 nan 8.230 nan 0.000 0.432 234 L N 0.013 121.248 121.223 0.020 0.000 2.046 234 L HA -0.004 4.336 4.340 0.000 0.000 0.208 234 L C 2.319 179.243 176.870 0.088 0.000 1.077 234 L CA 2.105 56.965 54.840 0.034 0.000 0.747 234 L CB -1.412 40.643 42.059 -0.008 0.000 0.896 234 L HN 0.320 nan 8.230 nan 0.000 0.432 235 G N -0.725 108.131 108.800 0.093 0.000 2.432 235 G HA2 -0.334 3.626 3.960 0.000 0.000 0.219 235 G HA3 -0.334 3.626 3.960 0.000 0.000 0.219 235 G C 1.544 176.556 174.900 0.185 0.000 1.135 235 G CA 1.047 46.239 45.100 0.154 0.000 0.767 235 G HN 0.443 nan 8.290 nan 0.000 0.550 236 M N 1.386 121.067 119.600 0.135 0.000 2.156 236 M HA 0.312 4.792 4.480 0.000 0.000 0.264 236 M C 2.640 179.015 176.300 0.123 0.000 1.067 236 M CA 1.627 56.997 55.300 0.116 0.000 1.131 236 M CB -0.352 32.302 32.600 0.090 0.000 1.368 236 M HN 0.177 nan 8.290 nan 0.000 0.416 237 A N -0.727 122.168 122.820 0.125 0.000 1.902 237 A HA -0.226 4.094 4.320 0.000 0.000 0.217 237 A C 2.333 180.027 177.584 0.182 0.000 1.181 237 A CA 1.975 54.087 52.037 0.124 0.000 0.623 237 A CB -1.433 17.626 19.000 0.098 0.000 0.818 237 A HN 0.794 nan 8.150 nan 0.000 0.443 238 H N -0.580 118.569 119.070 0.131 0.000 2.293 238 H HA -0.070 4.487 4.556 0.000 0.000 0.300 238 H C 2.037 177.471 175.328 0.177 0.000 1.082 238 H CA 1.862 58.020 56.048 0.184 0.000 1.308 238 H CB -0.215 29.626 29.762 0.131 0.000 1.375 238 H HN 0.408 nan 8.280 nan 0.000 0.495 239 I N 0.838 121.416 120.570 0.013 0.000 2.286 239 I HA -0.255 3.915 4.170 0.000 0.000 0.248 239 I C 2.305 178.402 176.117 -0.034 0.000 1.115 239 I CA 0.814 62.072 61.300 -0.070 0.000 1.392 239 I CB -0.058 37.979 38.000 0.062 0.000 1.065 239 I HN 0.304 nan 8.210 nan 0.000 0.418 240 L N -0.082 121.157 121.223 0.027 0.000 2.109 240 L HA -0.192 4.148 4.340 0.000 0.000 0.207 240 L C 2.428 179.347 176.870 0.082 0.000 1.086 240 L CA 0.946 55.810 54.840 0.040 0.000 0.760 240 L CB -0.373 41.746 42.059 0.101 0.000 0.910 240 L HN 0.238 nan 8.230 nan 0.000 0.437 241 L N -0.538 120.749 121.223 0.106 0.000 2.072 241 L HA -0.140 4.200 4.340 0.000 0.000 0.205 241 L C 2.544 179.562 176.870 0.246 0.000 1.079 241 L CA 1.058 56.011 54.840 0.189 0.000 0.752 241 L CB -0.516 41.637 42.059 0.158 0.000 0.906 241 L HN 0.212 nan 8.230 nan 0.000 0.436 242 V N -3.315 116.652 119.914 0.088 0.000 2.719 242 V HA 0.007 4.128 4.120 0.000 0.000 0.252 242 V C 2.484 178.624 176.094 0.076 0.000 1.065 242 V CA 1.212 63.546 62.300 0.056 0.000 1.086 242 V CB -0.882 30.906 31.823 -0.059 0.000 0.700 242 V HN 0.262 nan 8.190 nan 0.000 0.467 243 A N 1.639 124.480 122.820 0.036 0.000 1.898 243 A HA 0.068 4.388 4.320 0.000 0.000 0.216 243 A C 2.360 179.980 177.584 0.060 0.000 1.181 243 A CA 1.788 53.846 52.037 0.035 0.000 0.620 243 A CB -1.494 17.505 19.000 -0.003 0.000 0.819 243 A HN 0.726 nan 8.150 nan 0.000 0.442 244 G N -2.027 106.826 108.800 0.089 0.000 2.498 244 G HA2 -0.164 3.796 3.960 0.000 0.000 0.219 244 G HA3 -0.164 3.796 3.960 0.000 0.000 0.219 244 G C 1.274 176.158 174.900 -0.026 0.000 1.119 244 G CA 1.254 46.391 45.100 0.062 0.000 0.766 244 G HN 0.683 nan 8.290 nan 0.000 0.552 245 H N -0.656 118.371 119.070 -0.070 0.000 2.547 245 H HA 0.243 4.799 4.556 0.000 0.000 0.272 245 H C 1.375 176.634 175.328 -0.115 0.000 0.971 245 H CA 0.799 56.726 56.048 -0.201 0.000 1.245 245 H CB 0.711 30.521 29.762 0.079 0.000 1.440 245 H HN 0.270 nan 8.280 nan 0.000 0.540 246 E N -0.671 119.602 120.200 0.122 0.000 2.846 246 E HA 0.107 4.457 4.350 0.000 0.000 0.211 246 E C 0.587 177.265 176.600 0.131 0.000 0.975 246 E CA 0.546 57.055 56.400 0.181 0.000 1.211 246 E CB 1.012 30.777 29.700 0.109 0.000 1.052 246 E HN 0.502 nan 8.360 nan 0.000 0.487 247 T N -3.062 111.549 114.554 0.096 0.000 3.272 247 T HA 0.009 4.359 4.350 0.000 0.000 0.247 247 T C 1.968 176.729 174.700 0.101 0.000 0.990 247 T CA 0.665 62.823 62.100 0.097 0.000 1.213 247 T CB -0.367 68.552 68.868 0.086 0.000 1.124 247 T HN -0.153 nan 8.240 nan 0.000 0.401 248 T N 2.869 117.469 114.554 0.077 0.000 2.803 248 T HA -0.058 4.292 4.350 0.000 0.000 0.269 248 T C 2.110 176.852 174.700 0.070 0.000 1.052 248 T CA 1.269 63.412 62.100 0.072 0.000 1.136 248 T CB -0.734 68.158 68.868 0.039 0.000 0.864 248 T HN 0.206 nan 8.240 nan 0.000 0.467 249 V N 2.775 122.729 119.914 0.067 0.000 2.282 249 V HA -0.238 3.882 4.120 0.000 0.000 0.249 249 V C 2.317 178.505 176.094 0.158 0.000 1.057 249 V CA 1.743 64.116 62.300 0.123 0.000 1.032 249 V CB -0.546 31.433 31.823 0.259 0.000 0.645 249 V HN 0.525 nan 8.190 nan 0.000 0.447 250 N N -0.415 118.392 118.700 0.178 0.000 2.416 250 N HA -0.011 4.729 4.740 0.000 0.000 0.177 250 N C 1.629 177.235 175.510 0.159 0.000 1.036 250 N CA 0.659 53.824 53.050 0.192 0.000 0.901 250 N CB -0.060 38.572 38.487 0.242 0.000 0.976 250 N HN 0.392 nan 8.380 nan 0.000 0.444 251 L N 1.531 122.829 121.223 0.125 0.000 2.027 251 L HA 0.040 4.380 4.340 0.000 0.000 0.206 251 L C 1.920 178.855 176.870 0.109 0.000 1.074 251 L CA 1.286 56.188 54.840 0.103 0.000 0.745 251 L CB -0.609 41.501 42.059 0.084 0.000 0.898 251 L HN -0.005 nan 8.230 nan 0.000 0.433 252 I N -0.327 120.303 120.570 0.100 0.000 2.226 252 I HA -0.299 3.871 4.170 0.000 0.000 0.245 252 I C 2.550 178.727 176.117 0.100 0.000 1.100 252 I CA 1.275 62.629 61.300 0.091 0.000 1.374 252 I CB -0.663 37.381 38.000 0.073 0.000 1.057 252 I HN 0.377 nan 8.210 nan 0.000 0.413 253 A N 0.930 123.816 122.820 0.109 0.000 1.854 253 A HA -0.162 4.158 4.320 0.000 0.000 0.214 253 A C 2.061 179.727 177.584 0.138 0.000 1.192 253 A CA 1.706 53.800 52.037 0.095 0.000 0.611 253 A CB -0.680 18.358 19.000 0.063 0.000 0.832 253 A HN 0.358 nan 8.150 nan 0.000 0.442 254 N N 0.469 119.280 118.700 0.185 0.000 2.104 254 N HA -0.114 4.626 4.740 0.000 0.000 0.190 254 N C 1.747 177.405 175.510 0.247 0.000 1.024 254 N CA 1.627 54.858 53.050 0.301 0.000 0.853 254 N CB -0.807 37.872 38.487 0.320 0.000 1.008 254 N HN 0.479 nan 8.380 nan 0.000 0.424 255 G N 0.421 109.316 108.800 0.159 0.000 2.403 255 G HA2 -0.154 3.806 3.960 0.000 0.000 0.216 255 G HA3 -0.154 3.806 3.960 0.000 0.000 0.216 255 G C 1.421 176.358 174.900 0.061 0.000 1.154 255 G CA 0.431 45.592 45.100 0.103 0.000 0.784 255 G HN 0.117 nan 8.290 nan 0.000 0.538 256 M N -0.361 119.296 119.600 0.095 0.000 2.229 256 M HA 0.059 4.539 4.480 0.000 0.000 0.264 256 M C 2.255 178.610 176.300 0.091 0.000 1.063 256 M CA 0.497 55.846 55.300 0.082 0.000 1.114 256 M CB -0.991 31.660 32.600 0.086 0.000 1.387 256 M HN 0.411 nan 8.290 nan 0.000 0.420 257 Y N 1.348 121.652 120.300 0.006 0.000 2.163 257 Y HA -0.092 4.458 4.550 -0.000 0.000 0.288 257 Y C 2.324 178.214 175.900 -0.017 0.000 1.136 257 Y CA 1.667 59.770 58.100 0.005 0.000 1.147 257 Y CB -0.679 37.799 38.460 0.030 0.000 0.987 257 Y HN 0.163 nan 8.280 nan 0.000 0.509 258 A N 0.288 122.909 122.820 -0.331 0.000 1.908 258 A HA -0.176 4.144 4.320 0.000 0.000 0.218 258 A C 2.180 179.437 177.584 -0.545 0.000 1.181 258 A CA 1.897 53.526 52.037 -0.679 0.000 0.627 258 A CB -1.171 17.144 19.000 -1.142 0.000 0.818 258 A HN 0.468 nan 8.150 nan 0.000 0.445 259 L N -0.482 120.570 121.223 -0.284 0.000 2.056 259 L HA -0.040 4.300 4.340 0.000 0.000 0.207 259 L C 2.356 179.220 176.870 -0.010 0.000 1.078 259 L CA 1.484 56.311 54.840 -0.023 0.000 0.749 259 L CB -0.843 41.256 42.059 0.068 0.000 0.901 259 L HN 0.395 nan 8.230 nan 0.000 0.433 260 L N -1.158 120.043 121.223 -0.036 0.000 2.376 260 L HA -0.083 4.257 4.340 0.000 0.000 0.219 260 L C 2.026 178.856 176.870 -0.068 0.000 1.133 260 L CA 1.030 55.865 54.840 -0.009 0.000 0.816 260 L CB -0.397 41.689 42.059 0.046 0.000 0.933 260 L HN 0.384 nan 8.230 nan 0.000 0.449 261 S N -3.047 112.529 115.700 -0.206 0.000 2.539 261 S HA 0.050 4.520 4.470 0.000 0.000 0.221 261 S C 0.391 174.665 174.600 -0.544 0.000 0.987 261 S CA -0.363 57.628 58.200 -0.349 0.000 0.929 261 S CB -0.135 62.739 63.200 -0.543 0.000 0.832 261 S HN 0.410 nan 8.310 nan 0.000 0.492 262 H N 1.380 120.364 119.070 -0.144 0.000 2.348 262 H HA 0.412 4.968 4.556 0.000 0.000 0.232 262 H C -2.392 172.937 175.328 0.002 0.000 1.419 262 H CA -1.634 54.383 56.048 -0.052 0.000 1.416 262 H CB 0.901 30.666 29.762 0.006 0.000 1.510 262 H HN 0.183 nan 8.280 nan 0.000 0.507 263 P HA -0.210 nan 4.420 nan 0.000 0.217 263 P C 1.350 178.682 177.300 0.053 0.000 1.148 263 P CA 1.367 64.490 63.100 0.037 0.000 0.828 263 P CB 0.381 32.087 31.700 0.011 0.000 0.783 264 D N -1.109 119.328 120.400 0.061 0.000 2.219 264 D HA -0.171 4.469 4.640 0.000 0.000 0.205 264 D C 1.574 177.904 176.300 0.050 0.000 0.970 264 D CA 1.046 55.074 54.000 0.047 0.000 0.851 264 D CB -0.647 40.177 40.800 0.041 0.000 0.943 264 D HN 0.182 nan 8.370 nan 0.000 0.488 265 Q N 0.024 119.880 119.800 0.093 0.000 2.096 265 Q HA 0.016 4.356 4.340 0.000 0.000 0.197 265 Q C 2.436 178.486 176.000 0.083 0.000 0.964 265 Q CA 0.193 56.041 55.803 0.074 0.000 0.838 265 Q CB -0.493 28.326 28.738 0.136 0.000 0.906 265 Q HN 0.286 nan 8.270 nan 0.000 0.444 266 L N 1.146 122.433 121.223 0.107 0.000 2.042 266 L HA -0.127 4.213 4.340 0.000 0.000 0.210 266 L C 2.106 179.006 176.870 0.049 0.000 1.076 266 L CA 2.177 57.065 54.840 0.080 0.000 0.749 266 L CB -0.867 41.234 42.059 0.070 0.000 0.893 266 L HN 0.134 nan 8.230 nan 0.000 0.432 267 A N -0.670 122.174 122.820 0.040 0.000 1.898 267 A HA -0.025 4.295 4.320 0.000 0.000 0.216 267 A C 2.455 180.049 177.584 0.018 0.000 1.181 267 A CA 1.610 53.663 52.037 0.027 0.000 0.620 267 A CB -1.134 17.879 19.000 0.023 0.000 0.819 267 A HN 0.567 nan 8.150 nan 0.000 0.442 268 A N -0.500 122.328 122.820 0.013 0.000 1.940 268 A HA -0.050 4.270 4.320 0.000 0.000 0.219 268 A C 2.125 179.708 177.584 -0.001 0.000 1.176 268 A CA 1.800 53.836 52.037 -0.002 0.000 0.631 268 A CB -0.533 18.456 19.000 -0.017 0.000 0.814 268 A HN 0.720 nan 8.150 nan 0.000 0.446 269 L N -0.391 120.837 121.223 0.008 0.000 2.072 269 L HA -0.019 4.321 4.340 0.000 0.000 0.205 269 L C 2.354 179.232 176.870 0.014 0.000 1.079 269 L CA 1.624 56.470 54.840 0.010 0.000 0.752 269 L CB -0.605 41.469 42.059 0.024 0.000 0.906 269 L HN 0.313 nan 8.230 nan 0.000 0.436 270 R N -0.188 120.324 120.500 0.019 0.000 2.096 270 R HA -0.163 4.177 4.340 0.000 0.000 0.240 270 R C 2.213 178.520 176.300 0.011 0.000 1.139 270 R CA 1.525 57.636 56.100 0.017 0.000 0.952 270 R CB -0.812 29.500 30.300 0.021 0.000 0.854 270 R HN 0.531 nan 8.270 nan 0.000 0.436 271 A N 0.526 123.351 122.820 0.009 0.000 1.972 271 A HA -0.140 4.180 4.320 0.000 0.000 0.219 271 A C 0.659 178.245 177.584 0.002 0.000 1.169 271 A CA 1.290 53.330 52.037 0.005 0.000 0.635 271 A CB 0.061 19.063 19.000 0.003 0.000 0.810 271 A HN 0.229 nan 8.150 nan 0.000 0.446 272 D N -1.217 119.184 120.400 0.001 0.000 2.364 272 D HA 0.301 4.941 4.640 0.000 0.000 0.251 272 D C 0.651 176.952 176.300 0.001 0.000 1.282 272 D CA -0.424 53.576 54.000 -0.000 0.000 0.927 272 D CB 0.247 41.044 40.800 -0.005 0.000 1.267 272 D HN 0.000 nan 8.370 nan 0.000 0.531 273 M N 1.008 120.610 119.600 0.004 0.000 2.629 273 M HA -0.066 4.414 4.480 0.000 0.000 0.257 273 M C 1.787 178.091 176.300 0.007 0.000 1.071 273 M CA 0.840 56.144 55.300 0.007 0.000 1.077 273 M CB -1.230 31.375 32.600 0.008 0.000 1.423 273 M HN 0.446 nan 8.290 nan 0.000 0.508 274 T N -2.549 112.008 114.554 0.004 0.000 3.072 274 T HA 0.002 4.352 4.350 0.000 0.000 0.266 274 T C 1.597 176.299 174.700 0.003 0.000 1.127 274 T CA 0.497 62.600 62.100 0.004 0.000 1.107 274 T CB -0.446 68.424 68.868 0.002 0.000 0.910 274 T HN 0.415 nan 8.240 nan 0.000 0.513 275 L N 0.077 121.299 121.223 -0.002 0.000 2.599 275 L HA 0.287 4.627 4.340 0.000 0.000 0.230 275 L C 2.190 179.058 176.870 -0.003 0.000 1.141 275 L CA -0.018 54.816 54.840 -0.010 0.000 0.877 275 L CB -0.518 41.527 42.059 -0.023 0.000 1.009 275 L HN 0.245 nan 8.230 nan 0.000 0.447 276 L N 0.023 121.252 121.223 0.010 0.000 1.994 276 L HA -0.210 4.131 4.340 0.000 0.000 0.208 276 L C 1.999 178.888 176.870 0.032 0.000 1.071 276 L CA 1.929 56.782 54.840 0.022 0.000 0.745 276 L CB -0.312 41.763 42.059 0.026 0.000 0.892 276 L HN 0.176 nan 8.230 nan 0.000 0.431 277 D N -0.111 120.310 120.400 0.035 0.000 2.116 277 D HA -0.176 4.464 4.640 0.000 0.000 0.193 277 D C 2.105 178.435 176.300 0.050 0.000 0.998 277 D CA 1.600 55.631 54.000 0.051 0.000 0.836 277 D CB -0.748 40.082 40.800 0.051 0.000 0.951 277 D HN 0.538 nan 8.370 nan 0.000 0.449 278 G N 0.364 109.179 108.800 0.026 0.000 2.422 278 G HA2 -0.116 3.844 3.960 0.000 0.000 0.218 278 G HA3 -0.116 3.844 3.960 0.000 0.000 0.218 278 G C 1.673 176.558 174.900 -0.024 0.000 1.140 278 G CA 1.050 46.154 45.100 0.007 0.000 0.775 278 G HN 0.403 nan 8.290 nan 0.000 0.545 279 A N 0.237 123.042 122.820 -0.024 0.000 1.898 279 A HA 0.100 4.420 4.320 0.000 0.000 0.216 279 A C 2.576 180.184 177.584 0.040 0.000 1.181 279 A CA 1.671 53.688 52.037 -0.032 0.000 0.620 279 A CB -0.548 18.454 19.000 0.004 0.000 0.819 279 A HN 0.231 nan 8.150 nan 0.000 0.442 280 V N 0.503 120.454 119.914 0.062 0.000 2.343 280 V HA -0.214 3.906 4.120 0.000 0.000 0.247 280 V C 2.501 178.634 176.094 0.064 0.000 1.051 280 V CA 2.075 64.426 62.300 0.084 0.000 1.036 280 V CB -0.730 31.150 31.823 0.096 0.000 0.654 280 V HN 0.520 nan 8.190 nan 0.000 0.451 281 E N 0.155 120.395 120.200 0.066 0.000 2.160 281 E HA -0.257 4.094 4.350 0.000 0.000 0.195 281 E C 2.174 178.730 176.600 -0.074 0.000 0.991 281 E CA 1.525 57.956 56.400 0.052 0.000 0.810 281 E CB -0.191 29.598 29.700 0.148 0.000 0.742 281 E HN 0.727 nan 8.360 nan 0.000 0.466 282 E N 0.344 120.512 120.200 -0.054 0.000 2.299 282 E HA -0.027 4.323 4.350 0.000 0.000 0.193 282 E C 1.925 178.581 176.600 0.092 0.000 0.998 282 E CA 0.496 56.839 56.400 -0.095 0.000 0.851 282 E CB -0.093 29.440 29.700 -0.278 0.000 0.795 282 E HN 0.188 nan 8.360 nan 0.000 0.492 283 M N -0.258 119.443 119.600 0.168 0.000 2.117 283 M HA -0.093 4.387 4.480 0.000 0.000 0.262 283 M C 2.015 178.334 176.300 0.031 0.000 1.065 283 M CA 1.253 56.680 55.300 0.213 0.000 1.114 283 M CB -0.242 32.459 32.600 0.168 0.000 1.361 283 M HN 0.144 nan 8.290 nan 0.000 0.408 284 L N -0.616 120.517 121.223 -0.151 0.000 2.056 284 L HA -0.177 4.163 4.340 0.000 0.000 0.207 284 L C 2.849 179.395 176.870 -0.540 0.000 1.078 284 L CA 1.133 55.745 54.840 -0.380 0.000 0.749 284 L CB -0.638 41.038 42.059 -0.638 0.000 0.901 284 L HN 0.308 nan 8.230 nan 0.000 0.433 285 R N -0.574 119.563 120.500 -0.605 0.000 2.062 285 R HA -0.211 4.129 4.340 0.000 0.000 0.229 285 R C 2.409 178.431 176.300 -0.464 0.000 1.128 285 R CA 1.787 57.398 56.100 -0.816 0.000 0.960 285 R CB -0.426 29.505 30.300 -0.614 0.000 0.855 285 R HN 0.299 nan 8.270 nan 0.000 0.432 286 Y N 0.423 120.558 120.300 -0.274 0.000 2.243 286 Y HA -0.010 4.540 4.550 -0.000 0.000 0.293 286 Y C 0.307 176.167 175.900 -0.066 0.000 1.124 286 Y CA 1.389 59.411 58.100 -0.130 0.000 1.159 286 Y CB 0.365 38.878 38.460 0.087 0.000 1.008 286 Y HN 0.077 nan 8.280 nan 0.000 0.527 287 E N 0.379 120.552 120.200 -0.046 0.000 3.832 287 E HA 0.282 4.632 4.350 0.000 0.000 0.250 287 E C -0.322 176.315 176.600 0.062 0.000 1.215 287 E CA -0.173 56.209 56.400 -0.031 0.000 1.179 287 E CB -0.027 29.688 29.700 0.025 0.000 1.270 287 E HN 0.430 nan 8.360 nan 0.000 0.405 288 G N 1.535 110.343 108.800 0.013 0.000 2.614 288 G HA2 0.099 4.059 3.960 0.000 0.000 0.239 288 G HA3 0.099 4.059 3.960 0.000 0.000 0.239 288 G C -1.333 173.602 174.900 0.060 0.000 1.240 288 G CA -0.893 44.200 45.100 -0.012 0.000 0.842 288 G HN 0.217 nan 8.290 nan 0.000 0.584 289 P HA -0.043 nan 4.420 nan 0.000 0.223 289 P C 0.469 177.825 177.300 0.095 0.000 1.151 289 P CA 0.471 63.639 63.100 0.114 0.000 0.787 289 P CB 0.193 31.956 31.700 0.106 0.000 0.788 290 V N 1.852 121.794 119.914 0.047 0.000 2.334 290 V HA 0.122 4.242 4.120 0.000 0.000 0.267 290 V C 1.796 177.909 176.094 0.032 0.000 1.040 290 V CA -0.010 62.314 62.300 0.039 0.000 0.866 290 V CB 0.837 32.669 31.823 0.015 0.000 1.019 290 V HN 0.047 nan 8.190 nan 0.000 0.468 291 E N 3.207 123.428 120.200 0.036 0.000 2.086 291 E HA 0.014 4.364 4.350 0.000 0.000 0.190 291 E C 0.397 176.966 176.600 -0.052 0.000 0.975 291 E CA 0.589 56.990 56.400 0.003 0.000 0.813 291 E CB 0.454 30.164 29.700 0.017 0.000 0.768 291 E HN 0.685 nan 8.360 nan 0.000 0.457 292 S N -0.225 115.465 115.700 -0.017 0.000 2.548 292 S HA 0.648 5.118 4.470 0.000 0.000 0.286 292 S C -0.601 173.997 174.600 -0.004 0.000 1.098 292 S CA -0.643 57.535 58.200 -0.036 0.000 0.930 292 S CB 1.855 65.056 63.200 0.001 0.000 1.070 292 S HN 0.396 nan 8.310 nan 0.000 0.480 293 A N 1.896 124.701 122.820 -0.026 0.000 2.310 293 A HA 0.653 4.973 4.320 0.000 0.000 0.260 293 A C 0.889 178.480 177.584 0.011 0.000 1.112 293 A CA -0.267 51.759 52.037 -0.019 0.000 0.804 293 A CB -0.407 18.562 19.000 -0.051 0.000 1.081 293 A HN 0.890 nan 8.150 nan 0.000 0.499 294 T N -1.985 112.562 114.554 -0.011 0.000 2.754 294 T HA 0.423 4.773 4.350 0.000 0.000 0.286 294 T C -0.101 174.612 174.700 0.022 0.000 0.997 294 T CA -0.294 61.809 62.100 0.006 0.000 0.982 294 T CB -0.005 68.836 68.868 -0.046 0.000 1.027 294 T HN 0.309 nan 8.240 nan 0.000 0.529 295 Y N 0.976 121.139 120.300 -0.229 0.000 2.597 295 Y HA 0.324 4.874 4.550 0.000 0.000 0.336 295 Y C 1.289 176.686 175.900 -0.839 0.000 1.216 295 Y CA -0.588 57.208 58.100 -0.506 0.000 1.463 295 Y CB -0.063 38.035 38.460 -0.604 0.000 1.303 295 Y HN 0.566 nan 8.280 nan 0.000 0.576 296 R N 2.430 122.503 120.500 -0.711 0.000 2.750 296 R HA 0.614 4.954 4.340 0.000 0.000 0.281 296 R C -1.740 174.082 176.300 -0.796 0.000 0.972 296 R CA -0.799 54.901 56.100 -0.666 0.000 0.912 296 R CB 1.650 31.836 30.300 -0.190 0.000 1.187 296 R HN 0.444 nan 8.270 nan 0.000 0.464 297 F N 2.108 122.027 119.950 -0.051 0.000 2.499 297 F HA 0.375 4.902 4.527 0.000 0.000 0.333 297 F C -2.095 173.613 175.800 -0.154 0.000 1.138 297 F CA -2.678 55.257 58.000 -0.108 0.000 0.945 297 F CB 1.859 40.761 39.000 -0.163 0.000 1.181 297 F HN 0.207 nan 8.300 nan 0.000 0.435 298 P HA -0.010 nan 4.420 nan 0.000 0.267 298 P C 0.946 178.133 177.300 -0.189 0.000 1.209 298 P CA -0.076 62.788 63.100 -0.393 0.000 0.763 298 P CB 1.056 32.449 31.700 -0.512 0.000 0.816 299 V N 1.317 121.122 119.914 -0.183 0.000 2.667 299 V HA -0.057 4.063 4.120 0.000 0.000 0.252 299 V C 0.724 176.753 176.094 -0.109 0.000 1.065 299 V CA 1.327 63.565 62.300 -0.103 0.000 1.083 299 V CB -0.959 30.822 31.823 -0.071 0.000 0.692 299 V HN 0.612 nan 8.190 nan 0.000 0.468 300 E N 0.291 120.398 120.200 -0.155 0.000 2.445 300 E HA 0.511 4.861 4.350 0.000 0.000 0.273 300 E C -3.267 173.230 176.600 -0.171 0.000 0.961 300 E CA -2.619 53.704 56.400 -0.128 0.000 0.807 300 E CB 1.749 31.383 29.700 -0.110 0.000 1.362 300 E HN 0.132 nan 8.360 nan 0.000 0.453 301 P HA 0.102 nan 4.420 nan 0.000 0.268 301 P C -0.878 176.307 177.300 -0.191 0.000 1.205 301 P CA -0.215 62.791 63.100 -0.158 0.000 0.771 301 P CB 0.730 32.367 31.700 -0.104 0.000 0.858 302 V N 3.325 123.093 119.914 -0.244 0.000 2.487 302 V HA 0.251 4.371 4.120 0.000 0.000 0.298 302 V C -0.209 175.786 176.094 -0.165 0.000 1.028 302 V CA -0.456 61.709 62.300 -0.225 0.000 0.860 302 V CB 1.809 33.420 31.823 -0.352 0.000 0.991 302 V HN 0.478 nan 8.190 nan 0.000 0.427 303 D N 5.165 125.502 120.400 -0.105 0.000 2.317 303 D HA 0.362 5.002 4.640 0.000 0.000 0.234 303 D C -0.676 175.589 176.300 -0.057 0.000 1.112 303 D CA -0.123 53.825 54.000 -0.085 0.000 0.840 303 D CB 1.159 41.923 40.800 -0.059 0.000 1.078 303 D HN 0.403 nan 8.370 nan 0.000 0.486 304 L N 3.898 125.077 121.223 -0.073 0.000 2.313 304 L HA 0.219 4.559 4.340 0.000 0.000 0.273 304 L C -0.197 176.649 176.870 -0.040 0.000 1.028 304 L CA -0.801 54.010 54.840 -0.047 0.000 0.871 304 L CB 0.941 42.964 42.059 -0.061 0.000 1.242 304 L HN 0.327 nan 8.230 nan 0.000 0.434 305 D N 3.521 123.908 120.400 -0.022 0.000 2.740 305 D HA -0.201 4.440 4.640 0.000 0.000 0.231 305 D C 1.294 177.586 176.300 -0.014 0.000 1.194 305 D CA 1.577 55.570 54.000 -0.012 0.000 0.673 305 D CB -0.648 40.151 40.800 -0.001 0.000 0.995 305 D HN 1.039 nan 8.370 nan 0.000 0.411 306 G N -1.126 107.662 108.800 -0.020 0.000 2.245 306 G HA2 -0.345 3.615 3.960 0.000 0.000 0.264 306 G HA3 -0.345 3.615 3.960 0.000 0.000 0.264 306 G C 0.596 175.482 174.900 -0.024 0.000 0.985 306 G CA 0.620 45.710 45.100 -0.018 0.000 0.625 306 G HN 0.578 nan 8.290 nan 0.000 0.536 307 T N 1.374 115.904 114.554 -0.042 0.000 2.743 307 T HA 0.524 4.874 4.350 0.000 0.000 0.293 307 T C 0.238 174.864 174.700 -0.123 0.000 0.945 307 T CA -0.195 61.873 62.100 -0.054 0.000 1.030 307 T CB 2.112 70.946 68.868 -0.056 0.000 0.912 307 T HN 0.358 nan 8.240 nan 0.000 0.483 308 V N 5.877 125.723 119.914 -0.112 0.000 2.394 308 V HA 0.421 4.542 4.120 0.000 0.000 0.282 308 V C 0.170 176.091 176.094 -0.289 0.000 1.031 308 V CA -0.743 61.463 62.300 -0.157 0.000 0.881 308 V CB 1.166 32.940 31.823 -0.081 0.000 0.982 308 V HN 0.774 nan 8.190 nan 0.000 0.451 309 I N 7.563 127.886 120.570 -0.412 0.000 2.321 309 I HA 0.358 4.529 4.170 0.000 0.000 0.291 309 I C -2.330 173.604 176.117 -0.306 0.000 0.998 309 I CA -2.014 58.911 61.300 -0.625 0.000 1.227 309 I CB 1.878 39.344 38.000 -0.890 0.000 1.368 309 I HN 0.425 nan 8.210 nan 0.000 0.466 310 P HA 0.091 nan 4.420 nan 0.000 0.272 310 P C -0.434 176.827 177.300 -0.066 0.000 1.223 310 P CA -0.379 62.693 63.100 -0.047 0.000 0.784 310 P CB 0.595 32.329 31.700 0.058 0.000 0.923 311 A N 2.385 125.165 122.820 -0.066 0.000 2.567 311 A HA 0.378 4.698 4.320 0.000 0.000 0.240 311 A C 1.575 179.147 177.584 -0.020 0.000 1.053 311 A CA 0.882 52.880 52.037 -0.066 0.000 0.755 311 A CB -1.599 17.365 19.000 -0.060 0.000 0.978 311 A HN 0.897 nan 8.150 nan 0.000 0.507 312 G N 2.151 110.948 108.800 -0.006 0.000 2.179 312 G HA2 -0.219 3.741 3.960 0.000 0.000 0.260 312 G HA3 -0.219 3.741 3.960 0.000 0.000 0.260 312 G C 0.036 174.994 174.900 0.097 0.000 0.977 312 G CA 0.510 45.621 45.100 0.018 0.000 0.641 312 G HN 0.872 nan 8.290 nan 0.000 0.533 313 D N 0.694 121.175 120.400 0.135 0.000 2.360 313 D HA 0.514 5.154 4.640 0.000 0.000 0.242 313 D C 0.759 177.223 176.300 0.274 0.000 1.184 313 D CA 0.522 54.658 54.000 0.226 0.000 0.930 313 D CB 0.632 41.650 40.800 0.364 0.000 1.161 313 D HN 0.045 nan 8.370 nan 0.000 0.447 314 T N 0.809 115.496 114.554 0.223 0.000 2.780 314 T HA 0.398 4.748 4.350 0.000 0.000 0.294 314 T C -0.272 174.437 174.700 0.016 0.000 0.949 314 T CA -0.466 61.641 62.100 0.011 0.000 1.074 314 T CB 0.587 69.311 68.868 -0.239 0.000 0.910 314 T HN -0.031 nan 8.240 nan 0.000 0.501 315 V N 5.553 125.401 119.914 -0.110 0.000 2.487 315 V HA 0.455 4.575 4.120 0.000 0.000 0.298 315 V C -0.276 175.753 176.094 -0.109 0.000 1.028 315 V CA -0.896 61.401 62.300 -0.006 0.000 0.860 315 V CB 1.649 33.503 31.823 0.051 0.000 0.991 315 V HN 0.714 nan 8.190 nan 0.000 0.427 316 L N 5.077 126.272 121.223 -0.046 0.000 2.287 316 L HA 0.560 4.900 4.340 0.000 0.000 0.287 316 L C -0.443 176.389 176.870 -0.062 0.000 1.022 316 L CA -0.786 54.029 54.840 -0.040 0.000 0.814 316 L CB 1.841 43.906 42.059 0.009 0.000 1.217 316 L HN 0.349 nan 8.230 nan 0.000 0.420 317 V N 4.393 124.246 119.914 -0.102 0.000 2.432 317 V HA 0.115 4.235 4.120 0.000 0.000 0.271 317 V C 0.438 176.445 176.094 -0.144 0.000 1.046 317 V CA -0.484 61.733 62.300 -0.138 0.000 0.945 317 V CB 1.698 33.420 31.823 -0.170 0.000 0.992 317 V HN 0.441 nan 8.190 nan 0.000 0.471 318 V N 7.333 127.133 119.914 -0.190 0.000 2.299 318 V HA 0.153 4.273 4.120 0.000 0.000 0.255 318 V C 1.312 177.244 176.094 -0.269 0.000 1.100 318 V CA -0.070 62.055 62.300 -0.292 0.000 0.938 318 V CB 0.266 31.767 31.823 -0.537 0.000 1.139 318 V HN 0.766 nan 8.190 nan 0.000 0.490 319 L N 3.235 124.323 121.223 -0.226 0.000 2.042 319 L HA -0.198 4.142 4.340 0.000 0.000 0.210 319 L C 2.705 179.380 176.870 -0.326 0.000 1.076 319 L CA 1.900 56.566 54.840 -0.289 0.000 0.749 319 L CB -0.654 41.291 42.059 -0.191 0.000 0.893 319 L HN 0.685 nan 8.230 nan 0.000 0.432 320 A N 0.134 122.867 122.820 -0.144 0.000 1.948 320 A HA -0.315 4.005 4.320 0.000 0.000 0.220 320 A C 1.979 179.644 177.584 0.136 0.000 1.177 320 A CA 2.420 54.501 52.037 0.074 0.000 0.636 320 A CB -0.648 18.411 19.000 0.098 0.000 0.815 320 A HN 0.521 nan 8.150 nan 0.000 0.449 321 D N -1.186 119.197 120.400 -0.028 0.000 2.213 321 D HA 0.189 4.829 4.640 0.000 0.000 0.205 321 D C 1.979 178.334 176.300 0.093 0.000 0.961 321 D CA 1.040 55.092 54.000 0.087 0.000 0.853 321 D CB -0.149 40.639 40.800 -0.019 0.000 0.967 321 D HN 0.305 nan 8.370 nan 0.000 0.496 322 A N -0.262 122.555 122.820 -0.006 0.000 1.908 322 A HA -0.216 4.105 4.320 0.000 0.000 0.218 322 A C 1.831 179.618 177.584 0.338 0.000 1.181 322 A CA 1.647 53.754 52.037 0.116 0.000 0.627 322 A CB -1.110 17.839 19.000 -0.085 0.000 0.818 322 A HN 0.500 nan 8.150 nan 0.000 0.445 323 H N -1.701 117.491 119.070 0.202 0.000 2.546 323 H HA 0.078 4.634 4.556 0.000 0.000 0.277 323 H C 1.104 176.413 175.328 -0.033 0.000 1.004 323 H CA 0.275 56.325 56.048 0.003 0.000 1.231 323 H CB 0.310 29.979 29.762 -0.155 0.000 1.382 323 H HN 0.180 nan 8.280 nan 0.000 0.580 324 R N 0.563 121.157 120.500 0.156 0.000 2.507 324 R HA 0.130 4.471 4.340 0.000 0.000 0.298 324 R C -0.140 176.207 176.300 0.079 0.000 0.999 324 R CA -0.003 56.111 56.100 0.023 0.000 1.082 324 R CB -0.107 30.196 30.300 0.004 0.000 1.246 324 R HN 0.043 nan 8.270 nan 0.000 0.553 325 T N 3.835 118.512 114.554 0.204 0.000 2.727 325 T HA 0.121 4.471 4.350 0.000 0.000 0.295 325 T C -1.548 173.208 174.700 0.093 0.000 0.915 325 T CA -1.214 60.978 62.100 0.154 0.000 1.066 325 T CB 1.610 70.599 68.868 0.201 0.000 0.891 325 T HN 0.039 nan 8.240 nan 0.000 0.516 326 P HA -0.034 nan 4.420 nan 0.000 0.219 326 P C 1.044 178.325 177.300 -0.031 0.000 1.150 326 P CA 0.828 63.931 63.100 0.003 0.000 0.814 326 P CB 0.392 32.092 31.700 0.001 0.000 0.787 327 E N -0.456 119.723 120.200 -0.036 0.000 2.209 327 E HA -0.189 4.161 4.350 0.000 0.000 0.196 327 E C 2.187 178.679 176.600 -0.180 0.000 0.993 327 E CA 1.151 57.506 56.400 -0.075 0.000 0.819 327 E CB -0.376 29.299 29.700 -0.042 0.000 0.745 327 E HN 0.057 nan 8.360 nan 0.000 0.477 328 R N -0.918 119.418 120.500 -0.274 0.000 2.167 328 R HA 0.207 4.547 4.340 0.000 0.000 0.201 328 R C -0.401 175.385 176.300 -0.855 0.000 1.024 328 R CA 0.483 56.197 56.100 -0.644 0.000 1.053 328 R CB 0.398 30.107 30.300 -0.985 0.000 0.987 328 R HN 0.044 nan 8.270 nan 0.000 0.493 329 F N 2.030 121.891 119.950 -0.148 0.000 2.443 329 F HA 0.475 5.002 4.527 0.000 0.000 0.369 329 F C -2.086 173.661 175.800 -0.089 0.000 1.090 329 F CA -2.715 55.221 58.000 -0.106 0.000 1.129 329 F CB 1.630 40.585 39.000 -0.074 0.000 1.367 329 F HN -0.133 nan 8.300 nan 0.000 0.465 330 P HA -0.033 nan 4.420 nan 0.000 0.267 330 P C 0.029 177.339 177.300 0.016 0.000 1.200 330 P CA 0.471 63.573 63.100 0.003 0.000 0.772 330 P CB 0.480 32.169 31.700 -0.018 0.000 0.855 331 D N 2.319 122.720 120.400 0.002 0.000 2.705 331 D HA -0.125 4.515 4.640 0.000 0.000 0.240 331 D C -1.227 175.061 176.300 -0.020 0.000 1.137 331 D CA 0.249 54.251 54.000 0.004 0.000 0.677 331 D CB -0.602 40.205 40.800 0.011 0.000 1.049 331 D HN 0.256 nan 8.370 nan 0.000 0.427 332 P HA -0.156 nan 4.420 nan 0.000 0.220 332 P C 1.122 178.318 177.300 -0.174 0.000 1.148 332 P CA 1.114 64.120 63.100 -0.157 0.000 0.803 332 P CB -0.032 31.503 31.700 -0.276 0.000 0.782 333 H N -1.237 117.873 119.070 0.065 0.000 2.547 333 H HA 0.121 4.677 4.556 0.000 0.000 0.266 333 H C 1.135 176.567 175.328 0.173 0.000 0.988 333 H CA 0.160 56.267 56.048 0.098 0.000 1.147 333 H CB -0.080 29.715 29.762 0.056 0.000 1.365 333 H HN 0.168 nan 8.280 nan 0.000 0.589 334 R N 0.930 121.520 120.500 0.150 0.000 2.298 334 R HA 0.059 4.399 4.340 0.000 0.000 0.310 334 R C -0.983 175.239 176.300 -0.131 0.000 1.068 334 R CA -0.514 55.603 56.100 0.029 0.000 0.957 334 R CB 0.094 30.391 30.300 -0.004 0.000 1.003 334 R HN -0.084 nan 8.270 nan 0.000 0.454 335 F N 5.303 124.857 119.950 -0.660 0.000 2.404 335 F HA 0.195 4.722 4.527 0.000 0.000 0.359 335 F C -0.790 174.694 175.800 -0.527 0.000 1.134 335 F CA -0.558 56.876 58.000 -0.942 0.000 1.160 335 F CB 0.628 38.534 39.000 -1.824 0.000 1.186 335 F HN 0.514 nan 8.300 nan 0.000 0.526 336 D N 6.824 126.759 120.400 -0.774 0.000 2.473 336 D HA 0.124 4.765 4.640 0.000 0.000 0.253 336 D C 0.962 176.888 176.300 -0.623 0.000 1.233 336 D CA -0.521 53.141 54.000 -0.565 0.000 0.908 336 D CB 0.639 41.269 40.800 -0.284 0.000 1.170 336 D HN 0.605 nan 8.370 nan 0.000 0.558 337 I N 0.812 120.984 120.570 -0.664 0.000 2.850 337 I HA -0.043 4.127 4.170 0.000 0.000 0.266 337 I C 1.160 177.132 176.117 -0.243 0.000 1.257 337 I CA 0.643 61.665 61.300 -0.464 0.000 1.465 337 I CB 0.053 37.843 38.000 -0.350 0.000 1.091 337 I HN 0.099 nan 8.210 nan 0.000 0.467 338 R N 1.209 121.589 120.500 -0.200 0.000 2.393 338 R HA 0.230 4.570 4.340 0.000 0.000 0.244 338 R C 0.873 177.116 176.300 -0.094 0.000 0.920 338 R CA -0.405 55.625 56.100 -0.117 0.000 1.076 338 R CB 0.009 30.254 30.300 -0.092 0.000 1.119 338 R HN 0.395 nan 8.270 nan 0.000 0.524 339 R N 1.852 122.280 120.500 -0.120 0.000 2.811 339 R HA -0.081 4.259 4.340 0.000 0.000 0.265 339 R C -0.493 175.799 176.300 -0.014 0.000 1.026 339 R CA 0.147 56.206 56.100 -0.067 0.000 1.142 339 R CB 0.388 30.634 30.300 -0.090 0.000 1.027 339 R HN -0.181 nan 8.270 nan 0.000 0.465 340 D N 1.468 121.881 120.400 0.022 0.000 2.336 340 D HA 0.019 4.659 4.640 0.000 0.000 0.249 340 D C 0.419 176.801 176.300 0.136 0.000 1.213 340 D CA -0.035 53.994 54.000 0.048 0.000 0.870 340 D CB 1.204 42.015 40.800 0.018 0.000 1.076 340 D HN 0.593 nan 8.370 nan 0.000 0.483 341 T N 0.773 115.418 114.554 0.152 0.000 3.069 341 T HA 0.374 4.724 4.350 0.000 0.000 0.252 341 T C 0.929 175.825 174.700 0.328 0.000 1.053 341 T CA -0.156 62.105 62.100 0.269 0.000 0.964 341 T CB 0.088 69.081 68.868 0.208 0.000 1.005 341 T HN 0.401 nan 8.240 nan 0.000 0.532 342 A N 0.895 123.825 122.820 0.183 0.000 2.567 342 A HA 0.502 4.822 4.320 0.000 0.000 0.240 342 A C 1.697 179.355 177.584 0.122 0.000 1.053 342 A CA 0.416 52.516 52.037 0.104 0.000 0.755 342 A CB -1.087 17.941 19.000 0.046 0.000 0.978 342 A HN 1.511 nan 8.150 nan 0.000 0.507 343 G N 1.486 110.338 108.800 0.086 0.000 2.175 343 G HA2 -0.232 3.728 3.960 0.000 0.000 0.244 343 G HA3 -0.232 3.728 3.960 0.000 0.000 0.244 343 G C 0.281 175.419 174.900 0.397 0.000 0.982 343 G CA 0.409 45.608 45.100 0.164 0.000 0.641 343 G HN 1.881 nan 8.290 nan 0.000 0.527 344 H N -0.143 119.208 119.070 0.468 0.000 2.757 344 H HA 0.435 4.991 4.556 0.000 0.000 0.370 344 H C 0.845 176.487 175.328 0.523 0.000 1.172 344 H CA 0.226 56.595 56.048 0.535 0.000 1.426 344 H CB 0.723 30.515 29.762 0.049 0.000 1.438 344 H HN 0.184 nan 8.280 nan 0.000 0.612 345 L N 1.903 123.679 121.223 0.921 0.000 2.872 345 L HA 0.231 4.571 4.340 0.000 0.000 0.245 345 L C 2.195 179.342 176.870 0.460 0.000 1.211 345 L CA 0.148 55.298 54.840 0.516 0.000 1.013 345 L CB 0.079 42.246 42.059 0.181 0.000 1.326 345 L HN 0.750 nan 8.230 nan 0.000 0.525 346 A N 0.410 123.587 122.820 0.594 0.000 1.978 346 A HA -0.115 4.205 4.320 0.000 0.000 0.220 346 A C 1.695 179.174 177.584 -0.174 0.000 1.170 346 A CA 1.558 53.642 52.037 0.078 0.000 0.636 346 A CB -0.482 18.289 19.000 -0.383 0.000 0.810 346 A HN 0.463 nan 8.150 nan 0.000 0.448 347 F N -0.864 119.174 119.950 0.147 0.000 2.641 347 F HA 0.414 4.941 4.527 0.000 0.000 0.302 347 F C 1.524 177.145 175.800 -0.298 0.000 1.098 347 F CA 0.381 58.245 58.000 -0.226 0.000 1.318 347 F CB 0.265 38.906 39.000 -0.599 0.000 1.035 347 F HN 0.504 nan 8.300 nan 0.000 0.551 348 G N 0.564 109.475 108.800 0.184 0.000 2.587 348 G HA2 -0.119 3.841 3.960 0.000 0.000 0.212 348 G HA3 -0.119 3.841 3.960 0.000 0.000 0.212 348 G C -1.491 173.725 174.900 0.528 0.000 1.327 348 G CA -0.523 44.718 45.100 0.236 0.000 0.898 348 G HN 0.533 nan 8.290 nan 0.000 0.551 349 H N -0.764 118.517 119.070 0.352 0.000 3.151 349 H HA 0.677 5.234 4.556 0.000 0.000 0.333 349 H C 0.385 175.827 175.328 0.190 0.000 1.093 349 H CA 1.898 58.126 56.048 0.300 0.000 1.342 349 H CB 1.029 30.874 29.762 0.138 0.000 1.983 349 H HN 2.711 nan 8.280 nan 0.000 0.503 350 G N 2.643 111.174 108.800 -0.449 0.000 2.472 350 G HA2 -0.189 3.771 3.960 0.000 0.000 0.205 350 G HA3 -0.189 3.771 3.960 0.000 0.000 0.205 350 G C 1.225 176.045 174.900 -0.133 0.000 1.270 350 G CA -0.009 44.852 45.100 -0.397 0.000 0.974 350 G HN 1.287 nan 8.290 nan 0.000 0.542 351 I N -2.389 118.071 120.570 -0.182 0.000 2.567 351 I HA 0.001 4.171 4.170 0.000 0.000 0.257 351 I C 1.599 177.543 176.117 -0.290 0.000 1.184 351 I CA 1.963 63.111 61.300 -0.252 0.000 1.451 351 I CB -0.310 37.427 38.000 -0.438 0.000 1.089 351 I HN 0.464 nan 8.210 nan 0.000 0.441 352 H N 0.580 119.630 119.070 -0.032 0.000 2.517 352 H HA 0.206 4.762 4.556 0.000 0.000 0.282 352 H C 0.099 175.504 175.328 0.128 0.000 1.023 352 H CA -0.511 55.572 56.048 0.058 0.000 1.169 352 H CB -0.182 29.574 29.762 -0.009 0.000 1.454 352 H HN 0.342 nan 8.280 nan 0.000 0.556 353 F N 2.026 122.032 119.950 0.093 0.000 2.629 353 F HA -0.069 4.458 4.527 0.000 0.000 0.377 353 F C 0.853 176.712 175.800 0.100 0.000 1.101 353 F CA -0.508 57.558 58.000 0.111 0.000 1.301 353 F CB 0.385 39.431 39.000 0.075 0.000 1.062 353 F HN 0.110 nan 8.300 nan 0.000 0.583 354 C N 8.980 127.936 119.300 -0.573 0.000 2.271 354 C HA -0.078 4.382 4.460 0.000 0.000 0.397 354 C C 1.965 176.799 174.990 -0.260 0.000 1.533 354 C CA -0.007 58.793 59.018 -0.362 0.000 1.433 354 C CB -1.953 25.574 27.740 -0.355 0.000 2.511 354 C HN 0.975 nan 8.230 nan 0.000 0.610 355 I N 4.663 125.139 120.570 -0.157 0.000 2.676 355 I HA 0.075 4.245 4.170 0.000 0.000 0.259 355 I C 1.994 177.953 176.117 -0.262 0.000 1.194 355 I CA 1.594 62.793 61.300 -0.168 0.000 1.473 355 I CB -0.096 37.769 38.000 -0.226 0.000 1.096 355 I HN 0.902 nan 8.210 nan 0.000 0.443 356 G N -0.360 108.257 108.800 -0.306 0.000 3.141 356 G HA2 0.129 4.089 3.960 0.000 0.000 0.218 356 G HA3 0.129 4.089 3.960 0.000 0.000 0.218 356 G C 1.515 176.304 174.900 -0.184 0.000 1.170 356 G CA 0.475 45.444 45.100 -0.218 0.000 0.769 356 G HN 0.461 nan 8.290 nan 0.000 0.546 357 A N 1.923 124.498 122.820 -0.409 0.000 1.902 357 A HA 0.049 4.369 4.320 0.000 0.000 0.217 357 A C 0.616 177.995 177.584 -0.341 0.000 1.181 357 A CA 1.514 53.057 52.037 -0.823 0.000 0.623 357 A CB -0.928 17.202 19.000 -1.450 0.000 0.818 357 A HN 0.334 nan 8.150 nan 0.000 0.443 358 P HA -0.142 nan 4.420 nan 0.000 0.216 358 P C 1.614 178.933 177.300 0.030 0.000 1.150 358 P CA 0.858 63.952 63.100 -0.010 0.000 0.837 358 P CB -0.023 31.702 31.700 0.040 0.000 0.786 359 L N -0.505 120.755 121.223 0.061 0.000 2.072 359 L HA -0.013 4.327 4.340 0.000 0.000 0.205 359 L C 2.206 179.120 176.870 0.073 0.000 1.079 359 L CA 1.878 56.771 54.840 0.089 0.000 0.752 359 L CB -1.519 40.642 42.059 0.170 0.000 0.906 359 L HN -0.138 nan 8.230 nan 0.000 0.436 360 A N -0.455 122.408 122.820 0.072 0.000 1.902 360 A HA -0.209 4.111 4.320 0.000 0.000 0.217 360 A C 2.432 180.106 177.584 0.149 0.000 1.181 360 A CA 1.756 53.870 52.037 0.128 0.000 0.623 360 A CB -0.514 18.625 19.000 0.233 0.000 0.818 360 A HN 0.480 nan 8.150 nan 0.000 0.443 361 R N -1.213 119.375 120.500 0.147 0.000 2.075 361 R HA -0.070 4.270 4.340 0.000 0.000 0.232 361 R C 2.151 178.511 176.300 0.100 0.000 1.126 361 R CA 1.342 57.535 56.100 0.155 0.000 0.963 361 R CB -0.523 29.867 30.300 0.150 0.000 0.858 361 R HN 0.509 nan 8.270 nan 0.000 0.435 362 L N 1.646 122.913 121.223 0.073 0.000 2.012 362 L HA -0.182 4.158 4.340 0.000 0.000 0.210 362 L C 1.743 178.641 176.870 0.047 0.000 1.073 362 L CA 1.885 56.757 54.840 0.052 0.000 0.748 362 L CB -0.308 41.775 42.059 0.040 0.000 0.891 362 L HN 0.121 nan 8.230 nan 0.000 0.431 363 E N -0.406 119.824 120.200 0.049 0.000 2.077 363 E HA -0.212 4.138 4.350 0.000 0.000 0.193 363 E C 2.141 178.767 176.600 0.044 0.000 0.989 363 E CA 1.199 57.621 56.400 0.036 0.000 0.800 363 E CB -0.333 29.384 29.700 0.028 0.000 0.746 363 E HN 0.685 nan 8.360 nan 0.000 0.452 364 A N 1.239 124.099 122.820 0.067 0.000 1.897 364 A HA -0.127 4.193 4.320 0.000 0.000 0.215 364 A C 2.043 179.665 177.584 0.063 0.000 1.181 364 A CA 1.017 53.097 52.037 0.072 0.000 0.620 364 A CB -0.269 18.791 19.000 0.099 0.000 0.821 364 A HN 0.044 nan 8.150 nan 0.000 0.443 365 R N -0.256 120.283 120.500 0.065 0.000 2.073 365 R HA -0.055 4.285 4.340 0.000 0.000 0.234 365 R C 1.976 178.299 176.300 0.038 0.000 1.134 365 R CA 1.698 57.831 56.100 0.055 0.000 0.952 365 R CB -0.514 29.820 30.300 0.056 0.000 0.850 365 R HN 0.548 nan 8.270 nan 0.000 0.433 366 I N 0.499 121.088 120.570 0.031 0.000 2.179 366 I HA -0.274 3.896 4.170 0.000 0.000 0.242 366 I C 2.580 178.704 176.117 0.012 0.000 1.088 366 I CA 1.357 62.667 61.300 0.017 0.000 1.357 366 I CB -0.490 37.517 38.000 0.012 0.000 1.051 366 I HN 0.236 nan 8.210 nan 0.000 0.409 367 A N 0.312 123.141 122.820 0.016 0.000 1.933 367 A HA -0.124 4.196 4.320 0.000 0.000 0.218 367 A C 2.417 180.009 177.584 0.013 0.000 1.175 367 A CA 1.512 53.555 52.037 0.010 0.000 0.628 367 A CB -0.810 18.200 19.000 0.016 0.000 0.814 367 A HN 0.253 nan 8.150 nan 0.000 0.444 368 V N 0.007 119.937 119.914 0.027 0.000 2.379 368 V HA -0.208 3.912 4.120 0.000 0.000 0.245 368 V C 2.651 178.758 176.094 0.021 0.000 1.044 368 V CA 2.164 64.484 62.300 0.033 0.000 1.036 368 V CB -0.747 31.107 31.823 0.051 0.000 0.664 368 V HN 0.718 nan 8.190 nan 0.000 0.453 369 R N 0.513 121.023 120.500 0.017 0.000 2.075 369 R HA -0.123 4.217 4.340 0.000 0.000 0.232 369 R C 2.265 178.562 176.300 -0.005 0.000 1.126 369 R CA 1.627 57.733 56.100 0.010 0.000 0.963 369 R CB -0.459 29.847 30.300 0.011 0.000 0.858 369 R HN 0.441 nan 8.270 nan 0.000 0.435 370 A N 1.366 124.179 122.820 -0.013 0.000 1.908 370 A HA -0.139 4.181 4.320 0.000 0.000 0.218 370 A C 2.220 179.774 177.584 -0.050 0.000 1.181 370 A CA 1.368 53.386 52.037 -0.032 0.000 0.627 370 A CB -0.588 18.391 19.000 -0.034 0.000 0.818 370 A HN 0.368 nan 8.150 nan 0.000 0.445 371 L N -0.681 120.518 121.223 -0.040 0.000 2.046 371 L HA -0.180 4.160 4.340 0.000 0.000 0.208 371 L C 2.572 179.418 176.870 -0.040 0.000 1.077 371 L CA 1.100 55.909 54.840 -0.053 0.000 0.747 371 L CB -0.488 41.558 42.059 -0.022 0.000 0.896 371 L HN 0.383 nan 8.230 nan 0.000 0.432 372 L N -0.793 120.423 121.223 -0.013 0.000 2.109 372 L HA -0.157 4.183 4.340 0.000 0.000 0.207 372 L C 2.391 179.255 176.870 -0.010 0.000 1.086 372 L CA 1.244 56.084 54.840 -0.000 0.000 0.760 372 L CB -0.438 41.630 42.059 0.014 0.000 0.910 372 L HN 0.310 nan 8.230 nan 0.000 0.437 373 E N -0.214 119.975 120.200 -0.019 0.000 2.216 373 E HA -0.097 4.253 4.350 0.000 0.000 0.192 373 E C 1.999 178.577 176.600 -0.036 0.000 0.988 373 E CA 0.568 56.956 56.400 -0.020 0.000 0.834 373 E CB 0.263 29.952 29.700 -0.018 0.000 0.772 373 E HN 0.387 nan 8.360 nan 0.000 0.479 374 R N -0.853 119.608 120.500 -0.065 0.000 2.373 374 R HA 0.206 4.546 4.340 0.000 0.000 0.221 374 R C -0.040 176.169 176.300 -0.152 0.000 0.893 374 R CA -0.062 55.978 56.100 -0.100 0.000 1.049 374 R CB 0.873 31.100 30.300 -0.122 0.000 1.119 374 R HN -0.005 nan 8.270 nan 0.000 0.535 375 C N 3.646 122.865 119.300 -0.135 0.000 2.250 375 C HA 0.362 4.822 4.460 0.000 0.000 0.319 375 C C -2.255 172.747 174.990 0.020 0.000 1.124 375 C CA -1.915 57.020 59.018 -0.140 0.000 1.527 375 C CB 0.802 28.444 27.740 -0.163 0.000 2.001 375 C HN 0.173 nan 8.230 nan 0.000 0.435 376 P HA 0.168 nan 4.420 nan 0.000 0.276 376 P C -0.171 177.217 177.300 0.147 0.000 1.235 376 P CA 0.724 63.880 63.100 0.093 0.000 0.772 376 P CB 0.535 32.289 31.700 0.090 0.000 0.871 377 D N -0.342 120.120 120.400 0.103 0.000 2.708 377 D HA -0.191 4.449 4.640 0.000 0.000 0.236 377 D C 0.374 176.755 176.300 0.135 0.000 1.146 377 D CA 0.515 54.574 54.000 0.098 0.000 0.662 377 D CB -1.443 39.402 40.800 0.074 0.000 1.059 377 D HN 0.309 nan 8.370 nan 0.000 0.428 378 L N 0.156 121.469 121.223 0.150 0.000 2.615 378 L HA 0.230 4.570 4.340 0.000 0.000 0.284 378 L C 0.372 177.317 176.870 0.124 0.000 1.237 378 L CA 0.541 55.486 54.840 0.176 0.000 0.905 378 L CB 0.274 42.406 42.059 0.121 0.000 1.149 378 L HN 0.293 nan 8.230 nan 0.000 0.499 379 A N 5.698 128.595 122.820 0.128 0.000 2.515 379 A HA 0.498 4.818 4.320 0.000 0.000 0.298 379 A C -0.970 176.658 177.584 0.074 0.000 1.059 379 A CA -0.770 51.314 52.037 0.077 0.000 0.698 379 A CB 0.997 20.023 19.000 0.044 0.000 1.289 379 A HN 0.760 nan 8.150 nan 0.000 0.404 380 L N 1.111 122.369 121.223 0.058 0.000 2.453 380 L HA 0.141 4.481 4.340 0.000 0.000 0.272 380 L C 0.059 176.944 176.870 0.023 0.000 1.182 380 L CA 0.381 55.254 54.840 0.055 0.000 0.858 380 L CB 0.922 43.024 42.059 0.073 0.000 1.120 380 L HN 0.958 nan 8.230 nan 0.000 0.474 381 D N 2.586 122.989 120.400 0.006 0.000 2.440 381 D HA 0.162 4.802 4.640 0.000 0.000 0.216 381 D C -0.295 175.986 176.300 -0.032 0.000 1.150 381 D CA 0.123 54.110 54.000 -0.022 0.000 0.832 381 D CB 0.392 41.170 40.800 -0.038 0.000 0.992 381 D HN 0.254 nan 8.370 nan 0.000 0.502 382 V N -2.563 117.336 119.914 -0.026 0.000 3.182 382 V HA 0.700 4.820 4.120 0.000 0.000 0.308 382 V C 0.011 176.097 176.094 -0.013 0.000 1.240 382 V CA -0.894 61.386 62.300 -0.034 0.000 1.063 382 V CB 1.198 32.985 31.823 -0.060 0.000 1.076 382 V HN 0.041 nan 8.190 nan 0.000 0.446 383 S N -0.095 115.598 115.700 -0.012 0.000 2.617 383 S HA 0.533 5.003 4.470 0.000 0.000 0.269 383 S C -1.791 172.822 174.600 0.022 0.000 1.292 383 S CA -0.861 57.345 58.200 0.009 0.000 1.010 383 S CB 1.024 64.227 63.200 0.004 0.000 0.944 383 S HN 0.682 nan 8.310 nan 0.000 0.536 384 P HA -0.032 nan 4.420 nan 0.000 0.216 384 P C 1.694 179.037 177.300 0.072 0.000 1.150 384 P CA 1.716 64.897 63.100 0.134 0.000 0.843 384 P CB -0.480 31.362 31.700 0.237 0.000 0.787 385 G N -0.172 108.661 108.800 0.055 0.000 2.479 385 G HA2 -0.242 3.718 3.960 0.000 0.000 0.220 385 G HA3 -0.242 3.718 3.960 0.000 0.000 0.220 385 G C 1.242 176.141 174.900 -0.001 0.000 1.115 385 G CA 0.505 45.627 45.100 0.037 0.000 0.757 385 G HN 0.342 nan 8.290 nan 0.000 0.560 386 E N -0.489 119.693 120.200 -0.031 0.000 2.481 386 E HA 0.190 4.540 4.350 0.000 0.000 0.195 386 E C 0.545 177.069 176.600 -0.127 0.000 1.047 386 E CA -0.454 55.906 56.400 -0.067 0.000 0.867 386 E CB 0.179 29.840 29.700 -0.066 0.000 0.858 386 E HN 0.340 nan 8.360 nan 0.000 0.513 387 L N 1.507 122.628 121.223 -0.169 0.000 2.439 387 L HA 0.160 4.500 4.340 0.000 0.000 0.269 387 L C 0.035 176.703 176.870 -0.336 0.000 1.179 387 L CA -0.451 54.187 54.840 -0.337 0.000 0.828 387 L CB 0.963 42.700 42.059 -0.537 0.000 1.106 387 L HN -0.050 nan 8.230 nan 0.000 0.467 388 V N 1.319 120.967 119.914 -0.444 0.000 2.495 388 V HA 0.457 4.577 4.120 0.000 0.000 0.298 388 V C -1.272 174.482 176.094 -0.568 0.000 1.031 388 V CA -0.507 61.566 62.300 -0.378 0.000 0.871 388 V CB 1.537 33.211 31.823 -0.248 0.000 0.988 388 V HN 0.637 nan 8.190 nan 0.000 0.432 389 W N 4.370 125.511 121.300 -0.264 0.000 2.417 389 W HA 0.593 5.253 4.660 -0.000 0.000 0.317 389 W C -0.158 176.219 176.519 -0.237 0.000 1.121 389 W CA -0.449 56.752 57.345 -0.240 0.000 1.208 389 W CB 0.772 30.144 29.460 -0.148 0.000 1.253 389 W HN 0.624 nan 8.180 nan 0.000 0.533 390 Y N 3.792 124.115 120.300 0.037 0.000 2.578 390 Y HA -0.043 4.507 4.550 0.000 0.000 0.339 390 Y C -0.930 175.039 175.900 0.114 0.000 1.231 390 Y CA -0.951 57.123 58.100 -0.044 0.000 1.461 390 Y CB 0.171 38.443 38.460 -0.314 0.000 1.323 390 Y HN 0.314 nan 8.280 nan 0.000 0.590 391 P HA -0.129 nan 4.420 nan 0.000 0.222 391 P C -0.163 177.299 177.300 0.270 0.000 1.153 391 P CA 0.636 63.884 63.100 0.246 0.000 0.798 391 P CB 0.120 31.945 31.700 0.208 0.000 0.796 392 N N 1.698 120.600 118.700 0.336 0.000 2.030 392 N HA -0.114 4.626 4.740 0.000 0.000 0.292 392 N C -1.313 174.339 175.510 0.236 0.000 1.315 392 N CA -0.039 53.182 53.050 0.285 0.000 0.810 392 N CB 0.487 39.160 38.487 0.308 0.000 1.048 392 N HN 0.121 nan 8.380 nan 0.000 0.492 393 P HA -0.020 nan 4.420 nan 0.000 0.249 393 P C 1.232 178.636 177.300 0.174 0.000 1.229 393 P CA 0.540 63.778 63.100 0.230 0.000 0.788 393 P CB 0.296 32.176 31.700 0.301 0.000 1.072 394 M N -0.786 118.904 119.600 0.151 0.000 2.394 394 M HA 0.153 4.633 4.480 0.000 0.000 0.266 394 M C 0.691 177.048 176.300 0.095 0.000 1.098 394 M CA 1.022 56.386 55.300 0.107 0.000 1.149 394 M CB 0.197 32.850 32.600 0.088 0.000 1.369 394 M HN -0.238 nan 8.290 nan 0.000 0.450 395 I N 0.311 120.962 120.570 0.135 0.000 2.404 395 I HA 0.279 4.450 4.170 0.000 0.000 0.293 395 I C -0.245 176.018 176.117 0.244 0.000 0.992 395 I CA -0.854 60.557 61.300 0.185 0.000 1.149 395 I CB 1.633 39.759 38.000 0.210 0.000 1.315 395 I HN -0.064 nan 8.210 nan 0.000 0.446 396 R N 4.489 125.126 120.500 0.228 0.000 2.233 396 R HA 0.659 4.999 4.340 0.000 0.000 0.334 396 R C -0.698 175.883 176.300 0.469 0.000 1.037 396 R CA -0.295 55.963 56.100 0.263 0.000 0.920 396 R CB 0.900 31.276 30.300 0.125 0.000 1.137 396 R HN 0.808 nan 8.270 nan 0.000 0.492 397 G N 3.597 112.763 108.800 0.610 0.000 2.746 397 G HA2 0.419 4.379 3.960 0.000 0.000 0.297 397 G HA3 0.419 4.379 3.960 0.000 0.000 0.297 397 G C -1.412 173.595 174.900 0.178 0.000 1.426 397 G CA -0.739 44.642 45.100 0.468 0.000 0.989 397 G HN 0.424 nan 8.290 nan 0.000 0.520 398 L N 1.219 122.314 121.223 -0.214 0.000 2.399 398 L HA 0.368 4.708 4.340 0.000 0.000 0.266 398 L C 1.575 178.120 176.870 -0.543 0.000 1.114 398 L CA -0.750 53.696 54.840 -0.657 0.000 0.804 398 L CB 1.713 43.320 42.059 -0.754 0.000 1.146 398 L HN 0.609 nan 8.230 nan 0.000 0.451 399 K N 1.402 121.335 120.400 -0.778 0.000 2.228 399 K HA 0.189 4.509 4.320 0.000 0.000 0.202 399 K C 0.161 176.535 176.600 -0.377 0.000 1.051 399 K CA 0.685 56.523 56.287 -0.749 0.000 0.960 399 K CB 0.259 32.282 32.500 -0.795 0.000 0.743 399 K HN 0.699 nan 8.250 nan 0.000 0.458 400 A N 0.615 123.218 122.820 -0.362 0.000 2.605 400 A HA 0.522 4.843 4.320 0.000 0.000 0.294 400 A C -2.128 175.304 177.584 -0.252 0.000 1.062 400 A CA -0.767 51.129 52.037 -0.236 0.000 0.682 400 A CB 1.333 20.212 19.000 -0.201 0.000 1.278 400 A HN 0.047 nan 8.150 nan 0.000 0.410 401 L N 1.978 123.107 121.223 -0.157 0.000 2.454 401 L HA 0.566 4.906 4.340 0.000 0.000 0.258 401 L C -2.835 174.002 176.870 -0.056 0.000 1.025 401 L CA -1.599 53.162 54.840 -0.132 0.000 0.901 401 L CB 1.559 43.565 42.059 -0.087 0.000 1.210 401 L HN 0.323 nan 8.230 nan 0.000 0.457 402 P HA 0.343 nan 4.420 nan 0.000 0.276 402 P C -0.719 176.587 177.300 0.009 0.000 1.253 402 P CA 0.161 63.243 63.100 -0.030 0.000 0.766 402 P CB 0.592 32.258 31.700 -0.058 0.000 0.845 403 I N 1.220 121.824 120.570 0.057 0.000 3.067 403 I HA 0.834 5.004 4.170 0.000 0.000 0.312 403 I C -0.257 175.908 176.117 0.079 0.000 1.073 403 I CA -1.504 59.859 61.300 0.105 0.000 1.016 403 I CB 2.663 40.778 38.000 0.192 0.000 1.227 403 I HN 0.257 nan 8.210 nan 0.000 0.456 404 R N 1.413 121.961 120.500 0.080 0.000 2.781 404 R HA 0.780 5.120 4.340 0.000 0.000 0.269 404 R C -2.242 174.115 176.300 0.095 0.000 1.025 404 R CA -0.740 55.273 56.100 -0.144 0.000 0.914 404 R CB 1.526 31.689 30.300 -0.229 0.000 1.236 404 R HN 0.963 nan 8.270 nan 0.000 0.465 405 W N -0.848 120.452 121.300 0.000 0.000 2.961 405 W HA 0.546 5.206 4.660 0.000 0.000 0.368 405 W C -1.240 175.280 176.519 0.001 0.000 1.213 405 W CA -1.472 55.874 57.345 0.003 0.000 1.173 405 W CB 0.882 30.345 29.460 0.005 0.000 1.487 405 W HN 0.545 nan 8.180 nan 0.000 0.585 406 R N 1.717 122.362 120.500 0.241 0.000 2.288 406 R HA 0.582 4.922 4.340 0.000 0.000 0.330 406 R C 0.463 176.900 176.300 0.229 0.000 1.069 406 R CA 0.180 56.360 56.100 0.133 0.000 0.941 406 R CB 0.198 30.569 30.300 0.118 0.000 0.998 406 R HN 0.756 nan 8.270 nan 0.000 0.452 407 R N 0.000 120.549 120.500 0.082 0.000 2.786 407 R HA 0.000 4.340 4.340 0.000 0.000 0.208 407 R CA 0.000 56.178 56.100 0.129 0.000 0.921 407 R CB 0.000 30.344 30.300 0.074 0.000 0.687 407 R HN 0.000 nan 8.270 nan 0.000 0.535