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 3hk2_1_B DATA FIRST_RESID 4 DATA SEQUENCE LGKTEVFLNR FALRPLNPEE LRPWRLEVVL DPPPGREEVY PLLAQVARRA DATA SEQUENCE GGVTVRMGDG LASWSPPEVL VLEGTLARMG QTYAYRLYPK GRRPLDPKDP DATA SEQUENCE GERSVLSALA RRLLQERLRR LEGVWVEGLA VYRREHARGP GWRVLGGAVL DATA SEQUENCE DLWVSDSGAF LLEVDPAYRI LCEMSLEAWL AQGHPLPKRV RNAYDRRTWE DATA SEQUENCE LLRLGEEDPK ELPLPXXXSL LDYHASKGRL QGREGGRVAW VADPKDPRKP DATA SEQUENCE IPHLTGLLVP VLTLEXXXXX XXXXXXSLPW EERRRRTREI ASWIGRRLGL DATA SEQUENCE GTPEAVRAQA YRLSIPKLMG RRAVSKPADA LRVGFYRAQE TALALLRLDG DATA SEQUENCE AQGWPEFLRR ALLRAFGASG ASLRLHTLHA HPSQGLAFRE ALRKAKEEGV DATA SEQUENCE QAVLVLTPPM AWEDRNRLKA LLLREGLPSQ ILNVPLREEE RHRWENALLG DATA SEQUENCE LLAKAGLQVV ALSGAYPAEL AVGFNAGGRE SFRFGGAACA VGGDGGHLLW DATA SEQUENCE TLPEAQAGER IPQEVVWDLL EETLWAFRRK AGRLPSRVLL LRDGRVPQDE DATA SEQUENCE FALALEALAR EGIAYDLVSV RKSGGGRVYP VQGRLADGLY VPLEDKTFLL DATA SEQUENCE LTVHRXXRGT PRPLKLVHEA GDTPLEALAH QIFHLTRLYP ASGFAFPRLP DATA SEQUENCE APLHLADRLV KEVGRLGIRH LKEVDREKLF FV 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.915 176.870 0.075 0.000 1.165 4 L CA 0.000 54.880 54.840 0.067 0.000 0.813 4 L CB 0.000 42.098 42.059 0.065 0.000 0.961 5 G N 0.500 109.321 108.800 0.035 0.000 2.630 5 G HA2 0.468 4.448 3.960 0.033 0.000 0.236 5 G HA3 0.468 4.448 3.960 0.033 0.000 0.236 5 G C 0.090 174.943 174.900 -0.077 0.000 1.248 5 G CA 0.254 45.347 45.100 -0.012 0.000 0.844 5 G HN 0.873 nan 8.290 nan 0.000 0.588 6 K N -0.419 119.877 120.400 -0.173 0.000 2.098 6 K HA 0.640 4.980 4.320 0.033 0.000 0.244 6 K C -0.179 176.261 176.600 -0.266 0.000 1.014 6 K CA -0.187 55.871 56.287 -0.382 0.000 0.917 6 K CB 1.250 33.514 32.500 -0.394 0.000 1.072 6 K HN 0.546 nan 8.250 nan 0.000 0.477 7 T N 0.137 114.503 114.554 -0.313 0.000 2.749 7 T HA 0.180 4.550 4.350 0.033 0.000 0.310 7 T C -1.443 173.127 174.700 -0.217 0.000 1.496 7 T CA -0.890 61.087 62.100 -0.204 0.000 1.006 7 T CB 1.735 70.512 68.868 -0.152 0.000 1.457 7 T HN 0.416 nan 8.240 nan 0.000 0.497 8 E N 1.143 121.235 120.200 -0.181 0.000 2.183 8 E HA 0.654 5.024 4.350 0.033 0.000 0.271 8 E C -0.761 175.710 176.600 -0.215 0.000 0.919 8 E CA -0.770 55.505 56.400 -0.209 0.000 0.781 8 E CB 1.978 31.543 29.700 -0.225 0.000 1.140 8 E HN 0.520 nan 8.360 nan 0.000 0.402 9 V N -0.326 119.455 119.914 -0.222 0.000 3.001 9 V HA 0.580 4.720 4.120 0.033 0.000 0.314 9 V C -0.742 175.210 176.094 -0.238 0.000 1.099 9 V CA -1.016 61.178 62.300 -0.175 0.000 0.989 9 V CB 1.231 33.004 31.823 -0.083 0.000 1.040 9 V HN 0.438 nan 8.190 nan 0.000 0.434 10 F N 2.180 122.155 119.950 0.043 0.000 2.411 10 F HA 0.637 5.184 4.527 0.033 0.000 0.350 10 F C 0.356 176.180 175.800 0.039 0.000 1.114 10 F CA -0.489 57.541 58.000 0.050 0.000 1.135 10 F CB 1.171 40.248 39.000 0.128 0.000 1.120 10 F HN 0.333 nan 8.300 nan 0.000 0.495 11 L N 2.928 124.241 121.223 0.149 0.000 2.357 11 L HA 0.246 4.606 4.340 0.033 0.000 0.273 11 L C 0.777 177.659 176.870 0.019 0.000 1.080 11 L CA -0.772 54.104 54.840 0.061 0.000 0.803 11 L CB 0.956 43.028 42.059 0.021 0.000 1.174 11 L HN 0.631 nan 8.230 nan 0.000 0.443 12 N N 1.000 119.738 118.700 0.063 0.000 2.581 12 N HA 0.021 4.782 4.740 0.033 0.000 0.230 12 N C -0.186 175.305 175.510 -0.032 0.000 1.310 12 N CA -0.062 53.036 53.050 0.079 0.000 0.886 12 N CB 0.043 38.670 38.487 0.232 0.000 1.205 12 N HN 0.505 nan 8.380 nan 0.000 0.488 13 R N -0.405 119.964 120.500 -0.218 0.000 2.856 13 R HA 0.571 4.931 4.340 0.033 0.000 0.258 13 R C -1.083 174.895 176.300 -0.536 0.000 1.066 13 R CA -0.740 55.267 56.100 -0.154 0.000 1.045 13 R CB 1.035 31.332 30.300 -0.004 0.000 1.178 13 R HN 0.064 nan 8.270 nan 0.000 0.499 14 F N -0.153 119.779 119.950 -0.029 0.000 2.588 14 F HA 0.430 4.976 4.527 0.032 0.000 0.314 14 F C -0.175 175.593 175.800 -0.052 0.000 1.134 14 F CA -0.948 57.043 58.000 -0.016 0.000 0.961 14 F CB 1.971 40.959 39.000 -0.020 0.000 1.239 14 F HN 0.579 nan 8.300 nan 0.000 0.448 15 A N 4.294 127.196 122.820 0.136 0.000 2.401 15 A HA 0.784 5.124 4.320 0.033 0.000 0.259 15 A C -0.619 177.020 177.584 0.091 0.000 1.103 15 A CA -0.050 52.031 52.037 0.074 0.000 0.789 15 A CB 0.389 19.424 19.000 0.060 0.000 1.035 15 A HN 0.816 nan 8.150 nan 0.000 0.491 16 L N 0.850 122.119 121.223 0.077 0.000 2.170 16 L HA 0.571 4.931 4.340 0.033 0.000 0.247 16 L C 0.706 177.642 176.870 0.110 0.000 1.078 16 L CA -1.325 53.565 54.840 0.083 0.000 0.936 16 L CB 1.212 43.314 42.059 0.072 0.000 1.528 16 L HN 0.983 nan 8.230 nan 0.000 0.455 17 R N 0.435 121.007 120.500 0.120 0.000 2.694 17 R HA 0.268 4.628 4.340 0.033 0.000 0.268 17 R C -2.598 173.800 176.300 0.162 0.000 1.061 17 R CA -1.204 54.965 56.100 0.116 0.000 1.133 17 R CB -0.551 29.799 30.300 0.084 0.000 1.020 17 R HN 0.125 nan 8.270 nan 0.000 0.475 18 P HA -0.031 nan 4.420 nan 0.000 0.268 18 P C -0.608 176.716 177.300 0.040 0.000 1.205 18 P CA -0.220 62.900 63.100 0.033 0.000 0.771 18 P CB 0.347 32.053 31.700 0.011 0.000 0.858 19 L N 2.922 124.098 121.223 -0.078 0.000 2.499 19 L HA 0.045 4.406 4.340 0.033 0.000 0.281 19 L C 1.229 178.058 176.870 -0.068 0.000 1.234 19 L CA 0.820 55.588 54.840 -0.120 0.000 0.839 19 L CB -0.545 41.369 42.059 -0.243 0.000 1.104 19 L HN 0.494 nan 8.230 nan 0.000 0.500 20 N N 1.684 120.332 118.700 -0.088 0.000 2.476 20 N HA 0.412 5.172 4.740 0.033 0.000 0.276 20 N C -2.290 173.168 175.510 -0.086 0.000 1.204 20 N CA -1.616 51.389 53.050 -0.074 0.000 0.974 20 N CB 0.096 38.542 38.487 -0.069 0.000 1.204 20 N HN 0.226 nan 8.380 nan 0.000 0.543 21 P HA -0.158 nan 4.420 nan 0.000 0.219 21 P C 0.437 177.685 177.300 -0.086 0.000 1.144 21 P CA 1.304 64.367 63.100 -0.062 0.000 0.806 21 P CB 0.172 31.845 31.700 -0.046 0.000 0.771 22 E N -0.845 119.294 120.200 -0.102 0.000 2.276 22 E HA -0.031 4.339 4.350 0.033 0.000 0.193 22 E C 1.680 178.183 176.600 -0.162 0.000 0.983 22 E CA 0.599 56.920 56.400 -0.131 0.000 0.861 22 E CB -0.071 29.596 29.700 -0.055 0.000 0.817 22 E HN 0.452 nan 8.360 nan 0.000 0.485 23 E N 0.582 120.647 120.200 -0.225 0.000 2.230 23 E HA 0.036 4.406 4.350 0.033 0.000 0.192 23 E C 1.381 178.039 176.600 0.095 0.000 0.987 23 E CA 0.195 56.379 56.400 -0.361 0.000 0.841 23 E CB 0.180 29.474 29.700 -0.678 0.000 0.783 23 E HN 0.113 nan 8.360 nan 0.000 0.481 24 L N 0.697 121.925 121.223 0.010 0.000 2.682 24 L HA 0.162 4.522 4.340 0.033 0.000 0.240 24 L C 0.652 177.540 176.870 0.030 0.000 1.178 24 L CA 0.180 55.047 54.840 0.044 0.000 0.970 24 L CB -0.004 42.049 42.059 -0.010 0.000 1.179 24 L HN -0.078 nan 8.230 nan 0.000 0.435 25 R N 0.355 120.876 120.500 0.036 0.000 3.124 25 R HA 0.223 4.583 4.340 0.033 0.000 0.212 25 R C -2.836 173.397 176.300 -0.111 0.000 1.677 25 R CA -1.101 54.964 56.100 -0.058 0.000 1.186 25 R CB 0.989 31.203 30.300 -0.144 0.000 1.571 25 R HN -0.150 nan 8.270 nan 0.000 0.583 26 P HA 0.025 nan 4.420 nan 0.000 0.272 26 P C -0.353 176.956 177.300 0.015 0.000 1.230 26 P CA -0.164 63.041 63.100 0.175 0.000 0.788 26 P CB 0.490 32.293 31.700 0.172 0.000 0.949 27 W N 1.464 122.843 121.300 0.132 0.000 2.184 27 W HA 0.307 4.987 4.660 0.033 0.000 0.338 27 W C 0.908 177.466 176.519 0.064 0.000 1.257 27 W CA 0.144 57.542 57.345 0.088 0.000 1.243 27 W CB 0.627 30.138 29.460 0.085 0.000 1.122 27 W HN 0.292 nan 8.180 nan 0.000 0.585 28 R N 2.107 122.755 120.500 0.247 0.000 2.711 28 R HA 0.706 5.066 4.340 0.033 0.000 0.284 28 R C -1.485 174.910 176.300 0.157 0.000 0.968 28 R CA -0.546 55.647 56.100 0.155 0.000 0.924 28 R CB 1.159 31.516 30.300 0.094 0.000 1.162 28 R HN 0.527 nan 8.270 nan 0.000 0.465 29 L N 1.920 123.217 121.223 0.122 0.000 2.422 29 L HA 0.445 4.805 4.340 0.033 0.000 0.264 29 L C -0.617 176.318 176.870 0.108 0.000 0.984 29 L CA -0.734 54.181 54.840 0.125 0.000 0.819 29 L CB 2.180 44.305 42.059 0.109 0.000 1.330 29 L HN 0.636 nan 8.230 nan 0.000 0.410 30 E N 2.092 122.377 120.200 0.142 0.000 2.081 30 E HA 0.387 4.757 4.350 0.033 0.000 0.276 30 E C -0.986 175.713 176.600 0.165 0.000 0.950 30 E CA -0.641 55.830 56.400 0.118 0.000 0.776 30 E CB 1.574 31.325 29.700 0.084 0.000 1.094 30 E HN 0.374 nan 8.360 nan 0.000 0.402 31 V N 3.679 123.657 119.914 0.107 0.000 2.963 31 V HA 0.103 4.243 4.120 0.033 0.000 0.306 31 V C 0.146 176.324 176.094 0.140 0.000 1.077 31 V CA -0.184 62.186 62.300 0.117 0.000 1.124 31 V CB 1.410 33.258 31.823 0.041 0.000 0.987 31 V HN 0.476 nan 8.190 nan 0.000 0.487 32 V N 5.227 125.254 119.914 0.188 0.000 2.555 32 V HA 0.348 4.488 4.120 0.033 0.000 0.283 32 V C -0.410 175.782 176.094 0.163 0.000 1.020 32 V CA -0.309 62.091 62.300 0.166 0.000 0.883 32 V CB 1.231 33.196 31.823 0.237 0.000 1.030 32 V HN 0.639 nan 8.190 nan 0.000 0.448 33 L N 1.937 123.230 121.223 0.118 0.000 2.379 33 L HA 0.632 4.992 4.340 0.033 0.000 0.269 33 L C 1.488 178.441 176.870 0.138 0.000 1.084 33 L CA 0.575 55.499 54.840 0.139 0.000 0.802 33 L CB 0.738 42.849 42.059 0.087 0.000 1.175 33 L HN 0.701 nan 8.230 nan 0.000 0.448 34 D N 1.380 121.880 120.400 0.166 0.000 2.096 34 D HA 0.055 4.715 4.640 0.033 0.000 0.214 34 D C -1.003 175.369 176.300 0.120 0.000 0.974 34 D CA 1.044 55.115 54.000 0.118 0.000 0.890 34 D CB -1.903 38.955 40.800 0.095 0.000 1.016 34 D HN 0.569 nan 8.370 nan 0.000 0.447 35 P HA 0.366 nan 4.420 nan 0.000 0.250 35 P C -2.455 174.952 177.300 0.178 0.000 1.198 35 P CA -0.602 62.577 63.100 0.132 0.000 1.118 35 P CB -1.149 30.607 31.700 0.094 0.000 1.208 36 P HA -0.073 nan 4.420 nan 0.000 0.260 36 P C -2.132 175.217 177.300 0.082 0.000 1.147 36 P CA 0.019 63.163 63.100 0.074 0.000 0.758 36 P CB -0.780 30.947 31.700 0.044 0.000 0.744 37 P HA 0.007 nan 4.420 nan 0.000 0.266 37 P C 0.731 178.035 177.300 0.007 0.000 1.193 37 P CA 0.441 63.536 63.100 -0.009 0.000 0.770 37 P CB 0.437 32.080 31.700 -0.095 0.000 0.836 38 G N 1.846 110.659 108.800 0.022 0.000 2.614 38 G HA2 -0.023 3.957 3.960 0.033 0.000 0.239 38 G HA3 -0.023 3.957 3.960 0.033 0.000 0.239 38 G C 0.793 175.675 174.900 -0.029 0.000 1.240 38 G CA -0.481 44.629 45.100 0.018 0.000 0.842 38 G HN 0.432 nan 8.290 nan 0.000 0.584 39 R N 0.318 120.806 120.500 -0.019 0.000 2.193 39 R HA 0.081 4.441 4.340 0.033 0.000 0.213 39 R C 2.349 178.626 176.300 -0.038 0.000 1.055 39 R CA 1.330 57.409 56.100 -0.037 0.000 0.995 39 R CB 0.224 30.514 30.300 -0.016 0.000 0.893 39 R HN 0.687 nan 8.270 nan 0.000 0.459 40 E N 1.140 121.331 120.200 -0.015 0.000 2.498 40 E HA -0.027 4.343 4.350 0.033 0.000 0.203 40 E C 0.925 177.529 176.600 0.007 0.000 1.013 40 E CA 0.144 56.549 56.400 0.009 0.000 0.927 40 E CB 0.063 29.778 29.700 0.024 0.000 1.012 40 E HN 0.672 nan 8.360 nan 0.000 0.482 41 E N -0.711 119.470 120.200 -0.031 0.000 2.526 41 E HA 0.186 4.556 4.350 0.033 0.000 0.208 41 E C 1.342 177.872 176.600 -0.116 0.000 0.997 41 E CA 0.211 56.587 56.400 -0.042 0.000 0.961 41 E CB 0.564 30.251 29.700 -0.021 0.000 1.030 41 E HN 0.150 nan 8.360 nan 0.000 0.483 42 V N 0.860 120.658 119.914 -0.194 0.000 2.867 42 V HA -0.212 3.928 4.120 0.033 0.000 0.260 42 V C 1.034 176.934 176.094 -0.324 0.000 1.099 42 V CA 1.554 63.671 62.300 -0.305 0.000 1.122 42 V CB -0.589 30.992 31.823 -0.404 0.000 0.708 42 V HN 0.317 nan 8.190 nan 0.000 0.490 43 Y N -0.113 120.152 120.300 -0.058 0.000 2.301 43 Y HA 0.133 4.704 4.550 0.034 0.000 0.295 43 Y C 0.059 175.925 175.900 -0.057 0.000 1.126 43 Y CA 0.228 58.296 58.100 -0.052 0.000 1.154 43 Y CB -1.911 36.526 38.460 -0.039 0.000 1.075 43 Y HN 0.324 nan 8.280 nan 0.000 0.534 44 P HA -0.142 nan 4.420 nan 0.000 0.222 44 P C 1.653 178.944 177.300 -0.015 0.000 1.147 44 P CA 1.416 64.537 63.100 0.035 0.000 0.790 44 P CB 0.114 31.829 31.700 0.025 0.000 0.780 45 L N -2.050 119.135 121.223 -0.062 0.000 2.286 45 L HA 0.100 4.460 4.340 0.033 0.000 0.203 45 L C 1.997 178.790 176.870 -0.129 0.000 1.068 45 L CA 0.557 55.317 54.840 -0.133 0.000 0.811 45 L CB -0.615 41.288 42.059 -0.260 0.000 0.989 45 L HN -0.196 nan 8.230 nan 0.000 0.467 46 L N 0.440 121.597 121.223 -0.109 0.000 2.131 46 L HA -0.095 4.265 4.340 0.033 0.000 0.210 46 L C 2.500 179.334 176.870 -0.060 0.000 1.092 46 L CA 1.942 56.729 54.840 -0.090 0.000 0.759 46 L CB -0.653 41.365 42.059 -0.069 0.000 0.903 46 L HN 0.324 nan 8.230 nan 0.000 0.435 47 A N -1.584 121.220 122.820 -0.026 0.000 2.014 47 A HA -0.212 4.128 4.320 0.033 0.000 0.218 47 A C 2.247 179.801 177.584 -0.050 0.000 1.163 47 A CA 1.360 53.383 52.037 -0.024 0.000 0.652 47 A CB -0.448 18.554 19.000 0.002 0.000 0.808 47 A HN 0.572 nan 8.150 nan 0.000 0.449 48 Q N -0.365 119.396 119.800 -0.064 0.000 2.123 48 Q HA -0.072 4.288 4.340 0.033 0.000 0.199 48 Q C 1.738 177.662 176.000 -0.128 0.000 0.966 48 Q CA 1.588 57.348 55.803 -0.072 0.000 0.845 48 Q CB -0.108 28.597 28.738 -0.055 0.000 0.907 48 Q HN 0.377 nan 8.270 nan 0.000 0.439 49 V N 0.747 120.550 119.914 -0.186 0.000 2.453 49 V HA -0.201 3.939 4.120 0.033 0.000 0.247 49 V C 2.313 178.239 176.094 -0.281 0.000 1.048 49 V CA 1.535 63.630 62.300 -0.343 0.000 1.049 49 V CB -0.965 30.639 31.823 -0.365 0.000 0.672 49 V HN 0.507 nan 8.190 nan 0.000 0.457 50 A N 0.162 122.885 122.820 -0.160 0.000 1.940 50 A HA -0.255 4.085 4.320 0.033 0.000 0.219 50 A C 2.398 179.928 177.584 -0.090 0.000 1.176 50 A CA 1.973 53.946 52.037 -0.107 0.000 0.631 50 A CB -0.475 18.485 19.000 -0.067 0.000 0.814 50 A HN 0.518 nan 8.150 nan 0.000 0.446 51 R N -1.227 119.224 120.500 -0.083 0.000 2.066 51 R HA -0.024 4.336 4.340 0.033 0.000 0.232 51 R C 2.245 178.511 176.300 -0.058 0.000 1.131 51 R CA 1.052 57.121 56.100 -0.052 0.000 0.955 51 R CB -0.292 29.988 30.300 -0.035 0.000 0.851 51 R HN 0.302 nan 8.270 nan 0.000 0.432 52 R N 0.555 120.993 120.500 -0.104 0.000 2.193 52 R HA -0.033 4.327 4.340 0.033 0.000 0.229 52 R C 1.979 178.246 176.300 -0.055 0.000 1.110 52 R CA 1.085 57.137 56.100 -0.080 0.000 0.988 52 R CB -0.461 29.753 30.300 -0.143 0.000 0.871 52 R HN 0.244 nan 8.270 nan 0.000 0.458 53 A N 0.516 123.272 122.820 -0.107 0.000 1.969 53 A HA 0.148 4.489 4.320 0.033 0.000 0.218 53 A C 1.095 178.683 177.584 0.006 0.000 1.169 53 A CA 1.316 53.328 52.037 -0.043 0.000 0.635 53 A CB -0.329 18.634 19.000 -0.062 0.000 0.810 53 A HN 0.463 nan 8.150 nan 0.000 0.445 54 G N -3.089 105.711 108.800 -0.000 0.000 2.757 54 G HA2 0.417 4.397 3.960 0.033 0.000 0.638 54 G HA3 0.417 4.397 3.960 0.033 0.000 0.638 54 G C 0.925 175.834 174.900 0.016 0.000 1.344 54 G CA 0.049 45.156 45.100 0.013 0.000 0.855 54 G HN 2.410 nan 8.290 nan 0.000 0.537 55 G N -2.252 106.563 108.800 0.024 0.000 2.692 55 G HA2 0.164 4.144 3.960 0.033 0.000 0.248 55 G HA3 0.164 4.144 3.960 0.033 0.000 0.248 55 G C 0.237 175.176 174.900 0.064 0.000 1.340 55 G CA 0.483 45.609 45.100 0.043 0.000 0.896 55 G HN 2.031 nan 8.290 nan 0.000 0.570 56 V N 1.605 121.588 119.914 0.114 0.000 2.353 56 V HA 0.612 4.753 4.120 0.033 0.000 0.264 56 V C 0.786 176.924 176.094 0.073 0.000 1.049 56 V CA 0.943 63.317 62.300 0.123 0.000 0.896 56 V CB 0.615 32.587 31.823 0.249 0.000 1.025 56 V HN 1.409 nan 8.190 nan 0.000 0.475 57 T N 4.675 119.233 114.554 0.007 0.000 3.032 57 T HA 0.661 5.031 4.350 0.033 0.000 0.312 57 T C -0.783 173.883 174.700 -0.057 0.000 1.078 57 T CA -0.259 61.824 62.100 -0.028 0.000 1.028 57 T CB 1.554 70.424 68.868 0.003 0.000 1.091 57 T HN 0.658 nan 8.240 nan 0.000 0.457 58 V N 2.359 122.221 119.914 -0.087 0.000 3.204 58 V HA 0.757 4.897 4.120 0.033 0.000 0.316 58 V C 0.159 176.220 176.094 -0.054 0.000 1.160 58 V CA -1.548 60.706 62.300 -0.077 0.000 1.044 58 V CB 1.614 33.372 31.823 -0.108 0.000 1.136 58 V HN 1.099 nan 8.190 nan 0.000 0.455 59 R N 1.242 121.719 120.500 -0.037 0.000 2.340 59 R HA 0.585 4.945 4.340 0.033 0.000 0.300 59 R C -0.718 175.575 176.300 -0.011 0.000 1.069 59 R CA -0.410 55.682 56.100 -0.013 0.000 0.984 59 R CB 0.768 31.077 30.300 0.015 0.000 1.003 59 R HN 0.951 nan 8.270 nan 0.000 0.459 60 M N 6.066 125.666 119.600 0.000 0.000 1.987 60 M HA 0.215 4.715 4.480 0.033 0.000 0.298 60 M C 0.173 176.485 176.300 0.021 0.000 0.892 60 M CA 0.344 55.645 55.300 0.003 0.000 0.885 60 M CB 1.199 33.796 32.600 -0.005 0.000 1.469 60 M HN 1.000 nan 8.290 nan 0.000 0.389 61 G N 3.813 112.635 108.800 0.036 0.000 2.574 61 G HA2 -0.349 3.631 3.960 0.033 0.000 0.301 61 G HA3 -0.349 3.631 3.960 0.033 0.000 0.301 61 G C -0.310 174.625 174.900 0.059 0.000 1.166 61 G CA 0.697 45.828 45.100 0.053 0.000 0.971 61 G HN 0.801 nan 8.290 nan 0.000 0.542 62 D N 1.287 121.703 120.400 0.026 0.000 2.593 62 D HA 0.541 5.201 4.640 0.033 0.000 0.241 62 D C 0.687 176.987 176.300 0.001 0.000 1.257 62 D CA 0.806 54.804 54.000 -0.003 0.000 0.828 62 D CB 0.595 41.380 40.800 -0.025 0.000 1.049 62 D HN 0.853 nan 8.370 nan 0.000 0.490 63 G N -0.297 108.511 108.800 0.014 0.000 2.921 63 G HA2 0.602 4.582 3.960 0.033 0.000 0.291 63 G HA3 0.602 4.582 3.960 0.033 0.000 0.291 63 G C -1.579 173.332 174.900 0.018 0.000 1.370 63 G CA -0.774 44.339 45.100 0.023 0.000 0.847 63 G HN 0.007 nan 8.290 nan 0.000 0.532 64 L N 0.405 121.644 121.223 0.026 0.000 2.331 64 L HA 0.770 5.130 4.340 0.033 0.000 0.275 64 L C 0.548 177.437 176.870 0.033 0.000 1.022 64 L CA -1.283 53.566 54.840 0.016 0.000 0.812 64 L CB 1.058 43.123 42.059 0.008 0.000 1.257 64 L HN 0.718 nan 8.230 nan 0.000 0.435 65 A N 1.607 124.430 122.820 0.006 0.000 2.276 65 A HA 0.677 5.017 4.320 0.033 0.000 0.316 65 A C -0.074 177.518 177.584 0.014 0.000 1.229 65 A CA -0.303 51.741 52.037 0.012 0.000 0.851 65 A CB 1.017 19.985 19.000 -0.054 0.000 1.165 65 A HN 0.631 nan 8.150 nan 0.000 0.513 66 S N 1.336 117.118 115.700 0.137 0.000 2.526 66 S HA 0.524 5.014 4.470 0.033 0.000 0.293 66 S C -0.676 174.197 174.600 0.455 0.000 1.092 66 S CA -0.381 57.935 58.200 0.193 0.000 0.980 66 S CB 0.464 63.768 63.200 0.173 0.000 1.048 66 S HN 0.673 nan 8.310 nan 0.000 0.483 67 W N 2.900 124.353 121.300 0.255 0.000 3.391 67 W HA 0.423 5.103 4.660 0.033 0.000 0.372 67 W C 0.075 176.761 176.519 0.278 0.000 1.171 67 W CA -0.806 56.738 57.345 0.332 0.000 1.862 67 W CB -0.862 28.732 29.460 0.222 0.000 1.048 67 W HN 0.453 nan 8.180 nan 0.000 0.726 68 S N 0.104 115.970 115.700 0.276 0.000 2.571 68 S HA 0.400 4.890 4.470 0.033 0.000 0.284 68 S C -2.591 171.577 174.600 -0.719 0.000 1.128 68 S CA -1.163 56.938 58.200 -0.165 0.000 0.970 68 S CB 2.530 65.695 63.200 -0.057 0.000 1.039 68 S HN -0.329 nan 8.310 nan 0.000 0.485 69 P HA 0.118 nan 4.420 nan 0.000 0.264 69 P C -1.992 174.928 177.300 -0.633 0.000 1.183 69 P CA -0.890 61.372 63.100 -1.397 0.000 0.763 69 P CB 0.036 31.246 31.700 -0.817 0.000 0.807 70 P HA -0.209 nan 4.420 nan 0.000 0.216 70 P C 1.122 178.332 177.300 -0.150 0.000 1.150 70 P CA 1.518 64.500 63.100 -0.197 0.000 0.843 70 P CB -0.037 31.607 31.700 -0.093 0.000 0.787 71 E N -0.586 119.519 120.200 -0.158 0.000 2.171 71 E HA -0.132 4.238 4.350 0.033 0.000 0.197 71 E C 1.328 177.872 176.600 -0.093 0.000 0.997 71 E CA 1.173 57.512 56.400 -0.103 0.000 0.810 71 E CB -0.973 28.675 29.700 -0.087 0.000 0.738 71 E HN 0.257 nan 8.360 nan 0.000 0.467 72 V N -1.347 118.495 119.914 -0.121 0.000 3.063 72 V HA 0.345 4.485 4.120 0.033 0.000 0.379 72 V C 0.050 176.101 176.094 -0.070 0.000 1.310 72 V CA -0.317 61.931 62.300 -0.086 0.000 1.333 72 V CB -0.753 31.018 31.823 -0.086 0.000 1.331 72 V HN -0.027 nan 8.190 nan 0.000 0.527 73 L N -0.075 121.111 121.223 -0.062 0.000 2.333 73 L HA 0.562 4.922 4.340 0.033 0.000 0.269 73 L C 0.022 176.893 176.870 0.002 0.000 1.010 73 L CA -1.131 53.693 54.840 -0.026 0.000 0.818 73 L CB 2.568 44.611 42.059 -0.027 0.000 1.306 73 L HN -0.010 nan 8.230 nan 0.000 0.430 74 V N 4.152 124.089 119.914 0.039 0.000 2.157 74 V HA 0.004 4.144 4.120 0.033 0.000 0.241 74 V C 1.352 177.533 176.094 0.145 0.000 1.349 74 V CA 0.133 62.478 62.300 0.076 0.000 1.319 74 V CB -0.551 31.340 31.823 0.112 0.000 1.421 74 V HN 0.628 nan 8.190 nan 0.000 0.501 75 L N 1.549 122.813 121.223 0.067 0.000 2.376 75 L HA 0.090 4.451 4.340 0.033 0.000 0.219 75 L C 0.829 177.718 176.870 0.031 0.000 1.133 75 L CA 1.094 55.979 54.840 0.075 0.000 0.816 75 L CB -0.152 41.884 42.059 -0.037 0.000 0.933 75 L HN 0.584 nan 8.230 nan 0.000 0.449 76 E N -0.385 119.754 120.200 -0.100 0.000 2.234 76 E HA 0.630 5.000 4.350 0.033 0.000 0.266 76 E C -0.232 176.059 176.600 -0.516 0.000 0.877 76 E CA -0.384 55.804 56.400 -0.354 0.000 0.758 76 E CB 2.301 31.865 29.700 -0.228 0.000 1.170 76 E HN 0.096 nan 8.360 nan 0.000 0.415 77 G N 0.920 109.066 108.800 -1.089 0.000 2.634 77 G HA2 0.586 4.566 3.960 0.033 0.000 0.309 77 G HA3 0.586 4.566 3.960 0.033 0.000 0.309 77 G C -0.860 173.738 174.900 -0.504 0.000 1.299 77 G CA -0.348 44.346 45.100 -0.677 0.000 0.798 77 G HN 0.477 nan 8.290 nan 0.000 0.490 78 T N -2.722 111.783 114.554 -0.082 0.000 2.888 78 T HA 0.783 5.153 4.350 0.033 0.000 0.288 78 T C -1.618 173.216 174.700 0.224 0.000 1.063 78 T CA -0.842 61.298 62.100 0.067 0.000 1.010 78 T CB 2.117 71.006 68.868 0.034 0.000 1.214 78 T HN 1.203 nan 8.240 nan 0.000 0.533 79 L N 0.842 122.201 121.223 0.227 0.000 2.543 79 L HA 0.760 5.120 4.340 0.033 0.000 0.265 79 L C -1.127 175.888 176.870 0.242 0.000 0.945 79 L CA -0.905 54.085 54.840 0.250 0.000 0.869 79 L CB 1.515 43.755 42.059 0.301 0.000 1.294 79 L HN 1.189 nan 8.230 nan 0.000 0.405 80 A N 3.833 126.758 122.820 0.174 0.000 2.293 80 A HA 0.937 5.277 4.320 0.033 0.000 0.312 80 A C -0.190 177.491 177.584 0.161 0.000 1.309 80 A CA -0.126 51.993 52.037 0.137 0.000 0.839 80 A CB 0.528 19.573 19.000 0.075 0.000 1.155 80 A HN 0.897 nan 8.150 nan 0.000 0.501 81 R N 1.605 122.254 120.500 0.247 0.000 2.513 81 R HA 0.802 5.162 4.340 0.033 0.000 0.301 81 R C 0.557 176.966 176.300 0.182 0.000 0.968 81 R CA 0.218 56.450 56.100 0.220 0.000 0.872 81 R CB 0.115 30.560 30.300 0.241 0.000 1.177 81 R HN 2.600 nan 8.270 nan 0.000 0.444 82 M N 0.228 119.892 119.600 0.106 0.000 2.393 82 M HA -0.019 4.481 4.480 0.033 0.000 0.201 82 M C 1.768 178.100 176.300 0.055 0.000 0.403 82 M CA 2.558 57.903 55.300 0.075 0.000 0.471 82 M CB -2.495 30.154 32.600 0.081 0.000 1.669 82 M HN 3.009 nan 8.290 nan 0.000 0.864 83 G N -2.093 106.732 108.800 0.042 0.000 2.308 83 G HA2 -0.066 3.914 3.960 0.033 0.000 0.221 83 G HA3 -0.066 3.914 3.960 0.033 0.000 0.221 83 G C 0.075 174.955 174.900 -0.034 0.000 1.032 83 G CA 0.909 46.015 45.100 0.010 0.000 0.623 83 G HN 2.120 nan 8.290 nan 0.000 0.506 84 Q N 1.015 120.768 119.800 -0.078 0.000 2.259 84 Q HA 0.628 4.988 4.340 0.033 0.000 0.246 84 Q C -0.593 175.214 176.000 -0.321 0.000 0.920 84 Q CA 0.216 55.864 55.803 -0.259 0.000 0.895 84 Q CB 0.865 29.333 28.738 -0.450 0.000 1.220 84 Q HN 0.145 nan 8.270 nan 0.000 0.439 85 T N 4.167 118.526 114.554 -0.326 0.000 2.853 85 T HA 0.331 4.701 4.350 0.033 0.000 0.317 85 T C -1.326 173.249 174.700 -0.208 0.000 1.059 85 T CA -0.232 61.762 62.100 -0.176 0.000 0.954 85 T CB -0.194 68.631 68.868 -0.071 0.000 0.994 85 T HN 0.348 nan 8.240 nan 0.000 0.479 86 Y N 1.123 121.451 120.300 0.047 0.000 2.320 86 Y HA 0.593 5.163 4.550 0.033 0.000 0.324 86 Y C 0.546 176.490 175.900 0.073 0.000 1.190 86 Y CA -1.409 56.726 58.100 0.057 0.000 1.215 86 Y CB 0.895 39.396 38.460 0.067 0.000 1.221 86 Y HN 0.592 nan 8.280 nan 0.000 0.486 87 A N 3.375 126.317 122.820 0.205 0.000 2.328 87 A HA 0.519 4.859 4.320 0.033 0.000 0.318 87 A C -1.050 176.594 177.584 0.100 0.000 1.347 87 A CA -0.754 51.339 52.037 0.094 0.000 0.842 87 A CB -0.685 18.325 19.000 0.016 0.000 1.148 87 A HN 0.714 nan 8.150 nan 0.000 0.499 88 Y N 0.883 121.224 120.300 0.069 0.000 2.295 88 Y HA 0.812 5.382 4.550 0.034 0.000 0.331 88 Y C 0.128 176.048 175.900 0.033 0.000 1.311 88 Y CA -1.142 56.989 58.100 0.052 0.000 1.430 88 Y CB 0.619 39.099 38.460 0.033 0.000 1.339 88 Y HN 0.644 nan 8.280 nan 0.000 0.552 89 R N 2.152 122.775 120.500 0.206 0.000 2.515 89 R HA 0.482 4.842 4.340 0.033 0.000 0.278 89 R C -2.533 173.847 176.300 0.132 0.000 1.107 89 R CA -0.473 55.658 56.100 0.051 0.000 0.945 89 R CB 0.787 31.082 30.300 -0.009 0.000 1.219 89 R HN 0.931 nan 8.270 nan 0.000 0.434 90 L N 5.008 126.259 121.223 0.047 0.000 2.295 90 L HA 0.526 4.886 4.340 0.033 0.000 0.285 90 L C -0.758 176.047 176.870 -0.109 0.000 1.035 90 L CA -0.932 53.951 54.840 0.071 0.000 0.806 90 L CB 1.084 43.205 42.059 0.103 0.000 1.214 90 L HN 0.628 nan 8.230 nan 0.000 0.426 91 Y N 2.839 123.180 120.300 0.067 0.000 2.352 91 Y HA 0.394 4.964 4.550 0.033 0.000 0.339 91 Y C -2.141 173.797 175.900 0.063 0.000 0.992 91 Y CA -2.593 55.541 58.100 0.056 0.000 1.100 91 Y CB 1.555 40.043 38.460 0.047 0.000 1.192 91 Y HN 0.399 nan 8.280 nan 0.000 0.458 92 P HA 0.168 nan 4.420 nan 0.000 0.276 92 P C -0.461 176.942 177.300 0.171 0.000 1.230 92 P CA -0.457 62.743 63.100 0.167 0.000 0.776 92 P CB 0.775 32.558 31.700 0.138 0.000 0.888 93 K N 2.936 123.430 120.400 0.157 0.000 3.237 93 K HA 0.365 4.705 4.320 0.033 0.000 0.197 93 K C 0.881 177.549 176.600 0.114 0.000 1.133 93 K CA -0.212 56.147 56.287 0.119 0.000 0.944 93 K CB 0.350 32.907 32.500 0.095 0.000 0.952 93 K HN 0.805 nan 8.250 nan 0.000 0.515 94 G N 1.913 110.797 108.800 0.139 0.000 2.574 94 G HA2 -0.349 3.631 3.960 0.033 0.000 0.295 94 G HA3 -0.349 3.631 3.960 0.033 0.000 0.295 94 G C -0.393 174.561 174.900 0.090 0.000 1.300 94 G CA -0.143 45.030 45.100 0.122 0.000 0.944 94 G HN 0.486 nan 8.290 nan 0.000 0.551 95 R N -0.650 119.837 120.500 -0.022 0.000 2.892 95 R HA 0.782 5.142 4.340 0.033 0.000 0.265 95 R C 0.134 176.390 176.300 -0.074 0.000 1.025 95 R CA -0.855 55.174 56.100 -0.120 0.000 0.982 95 R CB 1.981 32.053 30.300 -0.381 0.000 1.185 95 R HN 0.776 nan 8.270 nan 0.000 0.484 96 R N 1.656 122.115 120.500 -0.070 0.000 2.531 96 R HA 0.334 4.695 4.340 0.033 0.000 0.293 96 R C -2.910 173.370 176.300 -0.034 0.000 1.124 96 R CA -1.731 54.347 56.100 -0.036 0.000 0.945 96 R CB 1.837 32.133 30.300 -0.007 0.000 1.195 96 R HN 0.338 nan 8.270 nan 0.000 0.433 97 P HA 0.077 nan 4.420 nan 0.000 0.268 97 P C -1.112 176.185 177.300 -0.005 0.000 1.205 97 P CA -0.301 62.784 63.100 -0.025 0.000 0.771 97 P CB 0.573 32.256 31.700 -0.028 0.000 0.858 98 L N 2.896 124.125 121.223 0.010 0.000 2.362 98 L HA 0.432 4.792 4.340 0.033 0.000 0.271 98 L C -0.028 176.849 176.870 0.012 0.000 1.002 98 L CA -0.141 54.708 54.840 0.015 0.000 0.818 98 L CB 1.552 43.629 42.059 0.030 0.000 1.298 98 L HN 0.236 nan 8.230 nan 0.000 0.420 99 D N 3.695 124.099 120.400 0.007 0.000 2.460 99 D HA 0.358 5.018 4.640 0.033 0.000 0.232 99 D C -1.888 174.416 176.300 0.008 0.000 1.079 99 D CA -2.006 51.996 54.000 0.005 0.000 0.864 99 D CB 1.963 42.764 40.800 0.001 0.000 1.048 99 D HN 0.162 nan 8.370 nan 0.000 0.523 100 P HA -0.207 nan 4.420 nan 0.000 0.217 100 P C 1.157 178.466 177.300 0.016 0.000 1.148 100 P CA 1.074 64.183 63.100 0.015 0.000 0.834 100 P CB 0.482 32.187 31.700 0.008 0.000 0.783 101 K N -0.126 120.280 120.400 0.010 0.000 1.991 101 K HA -0.117 4.223 4.320 0.033 0.000 0.212 101 K C 0.808 177.412 176.600 0.007 0.000 1.049 101 K CA 0.981 57.273 56.287 0.009 0.000 0.932 101 K CB -1.516 30.987 32.500 0.004 0.000 0.717 101 K HN 0.149 nan 8.250 nan 0.000 0.441 102 D N 1.012 121.414 120.400 0.004 0.000 2.356 102 D HA -0.009 4.651 4.640 0.033 0.000 0.272 102 D C -1.931 174.370 176.300 0.001 0.000 1.337 102 D CA -1.636 52.365 54.000 0.001 0.000 0.970 102 D CB 0.920 41.719 40.800 -0.001 0.000 1.092 102 D HN -0.068 nan 8.370 nan 0.000 0.516 103 P HA -0.049 nan 4.420 nan 0.000 0.226 103 P C 1.185 178.479 177.300 -0.011 0.000 1.146 103 P CA 0.760 63.857 63.100 -0.005 0.000 0.773 103 P CB 0.264 31.957 31.700 -0.012 0.000 0.772 104 G N 0.214 109.008 108.800 -0.011 0.000 2.404 104 G HA2 -0.195 3.785 3.960 0.033 0.000 0.214 104 G HA3 -0.195 3.785 3.960 0.033 0.000 0.214 104 G C 1.415 176.308 174.900 -0.011 0.000 1.189 104 G CA 0.375 45.467 45.100 -0.013 0.000 0.789 104 G HN 0.256 nan 8.290 nan 0.000 0.533 105 E N -0.104 120.092 120.200 -0.006 0.000 2.208 105 E HA -0.035 4.335 4.350 0.033 0.000 0.193 105 E C 2.431 179.031 176.600 -0.000 0.000 0.988 105 E CA 0.303 56.701 56.400 -0.004 0.000 0.828 105 E CB -0.030 29.670 29.700 0.001 0.000 0.763 105 E HN 0.387 nan 8.360 nan 0.000 0.478 106 R N 1.154 121.657 120.500 0.005 0.000 2.193 106 R HA -0.128 4.232 4.340 0.033 0.000 0.229 106 R C 2.389 178.696 176.300 0.012 0.000 1.110 106 R CA 1.521 57.631 56.100 0.017 0.000 0.988 106 R CB -0.261 30.055 30.300 0.027 0.000 0.871 106 R HN 0.166 nan 8.270 nan 0.000 0.458 107 S N 0.136 115.832 115.700 -0.007 0.000 2.382 107 S HA -0.088 4.402 4.470 0.033 0.000 0.228 107 S C 1.952 176.537 174.600 -0.026 0.000 1.027 107 S CA 1.657 59.844 58.200 -0.020 0.000 0.991 107 S CB -0.258 62.923 63.200 -0.032 0.000 0.823 107 S HN 0.146 nan 8.310 nan 0.000 0.469 108 V N 1.401 121.294 119.914 -0.034 0.000 2.346 108 V HA -0.079 4.062 4.120 0.033 0.000 0.244 108 V C 2.348 178.378 176.094 -0.107 0.000 1.037 108 V CA 1.150 63.410 62.300 -0.067 0.000 1.029 108 V CB -0.633 31.153 31.823 -0.061 0.000 0.663 108 V HN 0.618 nan 8.190 nan 0.000 0.454 109 L N 0.079 121.266 121.223 -0.059 0.000 2.127 109 L HA -0.172 4.189 4.340 0.033 0.000 0.211 109 L C 2.397 179.253 176.870 -0.024 0.000 1.089 109 L CA 1.586 56.400 54.840 -0.044 0.000 0.757 109 L CB -0.585 41.506 42.059 0.053 0.000 0.899 109 L HN 0.323 nan 8.230 nan 0.000 0.434 110 S N -0.550 115.170 115.700 0.033 0.000 2.470 110 S HA 0.077 4.568 4.470 0.033 0.000 0.225 110 S C 2.132 176.770 174.600 0.062 0.000 1.006 110 S CA 0.666 58.940 58.200 0.123 0.000 0.934 110 S CB 0.146 63.462 63.200 0.193 0.000 0.778 110 S HN 0.458 nan 8.310 nan 0.000 0.517 111 A N 1.977 124.779 122.820 -0.031 0.000 1.873 111 A HA 0.048 4.388 4.320 0.033 0.000 0.215 111 A C 2.025 179.542 177.584 -0.112 0.000 1.186 111 A CA 1.028 53.030 52.037 -0.058 0.000 0.616 111 A CB -0.736 18.214 19.000 -0.083 0.000 0.823 111 A HN 0.428 nan 8.150 nan 0.000 0.442 112 L N -0.493 120.559 121.223 -0.285 0.000 2.042 112 L HA -0.213 4.147 4.340 0.033 0.000 0.210 112 L C 3.087 179.832 176.870 -0.209 0.000 1.076 112 L CA 1.126 55.657 54.840 -0.514 0.000 0.749 112 L CB -0.630 40.571 42.059 -1.429 0.000 0.893 112 L HN 0.424 nan 8.230 nan 0.000 0.432 113 A N 0.091 122.916 122.820 0.009 0.000 1.948 113 A HA -0.256 4.084 4.320 0.033 0.000 0.220 113 A C 2.422 180.163 177.584 0.262 0.000 1.177 113 A CA 1.892 54.177 52.037 0.414 0.000 0.636 113 A CB -0.527 18.762 19.000 0.483 0.000 0.815 113 A HN 0.352 nan 8.150 nan 0.000 0.449 114 R N -1.375 119.218 120.500 0.154 0.000 2.066 114 R HA -0.067 4.293 4.340 0.033 0.000 0.232 114 R C 2.496 178.849 176.300 0.089 0.000 1.131 114 R CA 1.072 57.243 56.100 0.120 0.000 0.955 114 R CB -0.304 30.049 30.300 0.089 0.000 0.851 114 R HN 0.327 nan 8.270 nan 0.000 0.432 115 R N 1.174 121.711 120.500 0.060 0.000 2.148 115 R HA -0.201 4.159 4.340 0.033 0.000 0.230 115 R C 2.217 178.578 176.300 0.101 0.000 1.120 115 R CA 1.285 57.420 56.100 0.059 0.000 0.902 115 R CB -1.480 28.837 30.300 0.028 0.000 0.839 115 R HN 0.240 nan 8.270 nan 0.000 0.431 116 L N 1.339 122.665 121.223 0.172 0.000 2.064 116 L HA -0.285 4.075 4.340 0.033 0.000 0.234 116 L C 2.274 179.203 176.870 0.099 0.000 1.103 116 L CA 2.224 57.185 54.840 0.203 0.000 0.824 116 L CB -1.316 40.961 42.059 0.364 0.000 0.919 116 L HN 0.305 nan 8.230 nan 0.000 0.447 117 L N 0.624 121.898 121.223 0.086 0.000 1.971 117 L HA -0.296 4.064 4.340 0.033 0.000 0.215 117 L C 2.952 179.844 176.870 0.037 0.000 1.072 117 L CA 2.862 57.726 54.840 0.040 0.000 0.758 117 L CB -1.048 41.042 42.059 0.052 0.000 0.889 117 L HN 0.717 nan 8.230 nan 0.000 0.433 118 Q N -2.043 117.786 119.800 0.048 0.000 2.167 118 Q HA -0.182 4.178 4.340 0.033 0.000 0.202 118 Q C 1.722 177.747 176.000 0.041 0.000 0.970 118 Q CA 1.449 57.275 55.803 0.039 0.000 0.855 118 Q CB -0.515 28.247 28.738 0.039 0.000 0.911 118 Q HN 0.480 nan 8.270 nan 0.000 0.438 119 E N 1.244 121.474 120.200 0.049 0.000 2.208 119 E HA -0.051 4.319 4.350 0.033 0.000 0.193 119 E C 1.805 178.430 176.600 0.042 0.000 0.988 119 E CA 0.767 57.196 56.400 0.048 0.000 0.828 119 E CB 0.025 29.762 29.700 0.061 0.000 0.763 119 E HN 0.451 nan 8.360 nan 0.000 0.478 120 R N -0.116 120.407 120.500 0.038 0.000 2.276 120 R HA 0.181 4.541 4.340 0.033 0.000 0.196 120 R C 2.170 178.490 176.300 0.034 0.000 0.961 120 R CA 0.090 56.206 56.100 0.027 0.000 1.024 120 R CB 0.140 30.445 30.300 0.008 0.000 0.940 120 R HN 0.134 nan 8.270 nan 0.000 0.480 121 L N -0.270 120.975 121.223 0.036 0.000 2.209 121 L HA 0.022 4.382 4.340 0.033 0.000 0.207 121 L C 2.582 179.482 176.870 0.049 0.000 1.094 121 L CA 0.658 55.525 54.840 0.044 0.000 0.790 121 L CB -0.254 41.821 42.059 0.026 0.000 0.932 121 L HN 0.091 nan 8.230 nan 0.000 0.447 122 R N 1.608 122.134 120.500 0.043 0.000 2.091 122 R HA -0.144 4.216 4.340 0.033 0.000 0.238 122 R C 1.121 177.446 176.300 0.042 0.000 1.136 122 R CA 1.195 57.321 56.100 0.043 0.000 0.959 122 R CB 0.003 30.326 30.300 0.038 0.000 0.856 122 R HN 0.335 nan 8.270 nan 0.000 0.437 123 R N 1.139 121.662 120.500 0.038 0.000 3.657 123 R HA 0.272 4.632 4.340 0.033 0.000 0.220 123 R C -1.059 175.263 176.300 0.037 0.000 1.548 123 R CA -0.061 56.059 56.100 0.033 0.000 1.465 123 R CB 0.059 30.372 30.300 0.023 0.000 1.330 123 R HN 0.099 nan 8.270 nan 0.000 0.707 124 L N 1.276 122.530 121.223 0.051 0.000 2.526 124 L HA 0.341 4.701 4.340 0.033 0.000 0.263 124 L C -0.847 176.066 176.870 0.072 0.000 0.943 124 L CA -1.075 53.804 54.840 0.065 0.000 0.859 124 L CB 2.908 45.033 42.059 0.110 0.000 1.313 124 L HN 0.294 nan 8.230 nan 0.000 0.406 125 E N 1.145 121.380 120.200 0.059 0.000 2.301 125 E HA 0.553 4.923 4.350 0.033 0.000 0.275 125 E C 0.425 177.074 176.600 0.082 0.000 1.030 125 E CA 0.685 57.118 56.400 0.056 0.000 0.852 125 E CB 1.441 31.160 29.700 0.032 0.000 1.060 125 E HN 0.728 nan 8.360 nan 0.000 0.401 126 G N 0.763 109.611 108.800 0.079 0.000 2.401 126 G HA2 0.124 4.104 3.960 0.033 0.000 0.283 126 G HA3 0.124 4.104 3.960 0.033 0.000 0.283 126 G C -0.197 174.775 174.900 0.119 0.000 1.117 126 G CA 0.043 45.198 45.100 0.092 0.000 1.051 126 G HN 0.859 nan 8.290 nan 0.000 0.510 127 V N -2.811 117.166 119.914 0.104 0.000 3.189 127 V HA 0.993 5.133 4.120 0.033 0.000 0.302 127 V C -0.092 176.066 176.094 0.108 0.000 1.612 127 V CA -0.464 61.902 62.300 0.111 0.000 1.021 127 V CB 0.831 32.724 31.823 0.116 0.000 1.084 127 V HN 2.106 nan 8.190 nan 0.000 0.478 128 W N -1.097 120.288 121.300 0.142 0.000 3.127 128 W HA 0.676 5.356 4.660 0.033 0.000 0.330 128 W C -1.063 175.576 176.519 0.201 0.000 1.187 128 W CA -0.138 57.308 57.345 0.168 0.000 1.198 128 W CB 1.197 30.765 29.460 0.181 0.000 1.408 128 W HN 1.326 nan 8.180 nan 0.000 0.529 129 V N 1.215 121.221 119.914 0.154 0.000 2.575 129 V HA 0.421 4.561 4.120 0.033 0.000 0.281 129 V C 0.293 176.459 176.094 0.121 0.000 1.087 129 V CA -0.312 62.059 62.300 0.118 0.000 1.193 129 V CB -0.014 31.851 31.823 0.071 0.000 1.426 129 V HN 1.117 nan 8.190 nan 0.000 0.623 130 E N 1.453 121.768 120.200 0.193 0.000 1.774 130 E HA 0.526 4.896 4.350 0.033 0.000 0.265 130 E C 1.162 177.832 176.600 0.117 0.000 1.207 130 E CA 0.856 57.342 56.400 0.144 0.000 1.054 130 E CB -0.105 29.684 29.700 0.148 0.000 1.074 130 E HN 1.577 nan 8.360 nan 0.000 0.433 131 G N -0.849 107.995 108.800 0.073 0.000 2.499 131 G HA2 0.122 4.102 3.960 0.033 0.000 0.232 131 G HA3 0.122 4.102 3.960 0.033 0.000 0.232 131 G C 1.156 176.080 174.900 0.040 0.000 1.251 131 G CA 0.559 45.689 45.100 0.051 0.000 0.917 131 G HN 1.867 nan 8.290 nan 0.000 0.580 132 L N -0.591 120.650 121.223 0.029 0.000 2.777 132 L HA 0.784 5.144 4.340 0.033 0.000 0.244 132 L C 1.285 178.143 176.870 -0.019 0.000 1.235 132 L CA 1.604 56.455 54.840 0.017 0.000 1.062 132 L CB -1.440 40.639 42.059 0.033 0.000 1.340 132 L HN 2.451 nan 8.230 nan 0.000 0.439 133 A N -0.971 121.825 122.820 -0.039 0.000 2.386 133 A HA 0.821 5.161 4.320 0.033 0.000 0.311 133 A C -0.677 176.761 177.584 -0.243 0.000 1.068 133 A CA -0.602 51.335 52.037 -0.167 0.000 0.743 133 A CB 1.934 20.824 19.000 -0.184 0.000 1.258 133 A HN 0.483 nan 8.150 nan 0.000 0.429 134 V N 1.927 121.590 119.914 -0.419 0.000 2.555 134 V HA 0.471 4.611 4.120 0.033 0.000 0.302 134 V C -1.573 174.162 176.094 -0.597 0.000 1.038 134 V CA -0.313 61.778 62.300 -0.347 0.000 0.887 134 V CB 1.535 33.212 31.823 -0.243 0.000 0.991 134 V HN 0.763 nan 8.190 nan 0.000 0.434 135 Y N 4.672 124.922 120.300 -0.083 0.000 2.388 135 Y HA 0.658 5.227 4.550 0.031 0.000 0.328 135 Y C 0.802 176.655 175.900 -0.078 0.000 0.963 135 Y CA -0.376 57.674 58.100 -0.083 0.000 1.240 135 Y CB 1.163 39.602 38.460 -0.035 0.000 1.118 135 Y HN 0.709 nan 8.280 nan 0.000 0.484 136 R N 1.959 122.428 120.500 -0.052 0.000 1.950 136 R HA 0.455 4.815 4.340 0.033 0.000 0.197 136 R C 1.248 177.563 176.300 0.025 0.000 1.471 136 R CA 0.781 56.832 56.100 -0.081 0.000 1.156 136 R CB -0.907 29.185 30.300 -0.347 0.000 0.905 136 R HN 0.596 nan 8.270 nan 0.000 0.489 137 R N 2.145 122.651 120.500 0.011 0.000 2.309 137 R HA 0.520 4.880 4.340 0.033 0.000 0.331 137 R C 0.592 176.965 176.300 0.121 0.000 1.116 137 R CA 0.488 56.632 56.100 0.073 0.000 0.970 137 R CB -1.783 28.557 30.300 0.066 0.000 1.024 137 R HN 1.171 nan 8.270 nan 0.000 0.472 138 E N 0.577 120.848 120.200 0.118 0.000 2.565 138 E HA -0.092 4.278 4.350 0.033 0.000 0.268 138 E C 0.478 177.187 176.600 0.183 0.000 1.000 138 E CA 0.868 57.350 56.400 0.137 0.000 0.964 138 E CB 0.063 29.817 29.700 0.090 0.000 0.955 138 E HN 0.895 nan 8.360 nan 0.000 0.459 139 H N -0.244 118.880 119.070 0.091 0.000 2.855 139 H HA 0.516 5.092 4.556 0.034 0.000 0.259 139 H C 0.149 175.502 175.328 0.042 0.000 0.972 139 H CA 1.085 57.188 56.048 0.092 0.000 1.213 139 H CB 0.820 30.676 29.762 0.156 0.000 1.451 139 H HN 0.781 nan 8.280 nan 0.000 0.484 140 A N -0.137 122.717 122.820 0.057 0.000 2.427 140 A HA 0.544 4.884 4.320 0.033 0.000 0.298 140 A C 0.917 178.506 177.584 0.008 0.000 1.036 140 A CA 0.026 52.060 52.037 -0.004 0.000 0.701 140 A CB 1.001 20.014 19.000 0.021 0.000 1.250 140 A HN 0.418 nan 8.150 nan 0.000 0.412 141 R N 1.538 122.033 120.500 -0.009 0.000 2.090 141 R HA 0.434 4.794 4.340 0.033 0.000 0.228 141 R C 1.948 178.249 176.300 0.002 0.000 1.110 141 R CA 1.908 58.008 56.100 -0.001 0.000 0.973 141 R CB -1.484 28.812 30.300 -0.006 0.000 0.869 141 R HN 2.948 nan 8.270 nan 0.000 0.440 142 G N -2.234 106.565 108.800 -0.003 0.000 2.801 142 G HA2 0.159 4.139 3.960 0.033 0.000 0.244 142 G HA3 0.159 4.139 3.960 0.033 0.000 0.244 142 G C -1.266 173.634 174.900 0.001 0.000 1.385 142 G CA 0.439 45.539 45.100 -0.000 0.000 0.894 142 G HN 1.240 nan 8.290 nan 0.000 0.562 143 P HA 0.743 nan 4.420 nan 0.000 0.176 143 P C 0.549 177.852 177.300 0.004 0.000 1.858 143 P CA 1.402 64.504 63.100 0.003 0.000 1.339 143 P CB 0.256 31.958 31.700 0.002 0.000 1.627 144 G N -1.031 107.772 108.800 0.005 0.000 2.397 144 G HA2 0.011 3.991 3.960 0.033 0.000 0.211 144 G HA3 0.011 3.991 3.960 0.033 0.000 0.211 144 G C 0.526 175.429 174.900 0.005 0.000 1.077 144 G CA 0.633 45.736 45.100 0.006 0.000 0.649 144 G HN 1.240 nan 8.290 nan 0.000 0.511 145 W N 1.169 122.471 121.300 0.004 0.000 2.478 145 W HA 0.955 5.635 4.660 0.033 0.000 0.318 145 W C 0.096 176.617 176.519 0.004 0.000 1.062 145 W CA -0.078 57.268 57.345 0.002 0.000 1.210 145 W CB 0.376 29.836 29.460 0.001 0.000 1.325 145 W HN 1.235 nan 8.180 nan 0.000 0.496 146 R N 1.831 122.332 120.500 0.002 0.000 2.437 146 R HA 0.733 5.093 4.340 0.033 0.000 0.310 146 R C -1.071 175.234 176.300 0.009 0.000 0.955 146 R CA -0.516 55.590 56.100 0.009 0.000 0.851 146 R CB 1.148 31.453 30.300 0.009 0.000 1.161 146 R HN 1.197 nan 8.270 nan 0.000 0.446 147 V N 4.840 124.775 119.914 0.035 0.000 2.384 147 V HA 0.537 4.677 4.120 0.033 0.000 0.287 147 V C -0.168 176.002 176.094 0.127 0.000 1.020 147 V CA -0.612 61.721 62.300 0.054 0.000 0.850 147 V CB 1.313 33.166 31.823 0.050 0.000 0.987 147 V HN 0.767 nan 8.190 nan 0.000 0.436 148 L N 4.094 125.387 121.223 0.116 0.000 2.334 148 L HA 0.782 5.142 4.340 0.033 0.000 0.272 148 L C 0.951 178.021 176.870 0.332 0.000 1.020 148 L CA -0.452 54.499 54.840 0.184 0.000 0.812 148 L CB 1.462 43.566 42.059 0.076 0.000 1.264 148 L HN 0.686 nan 8.230 nan 0.000 0.439 149 G N -0.706 108.275 108.800 0.303 0.000 2.532 149 G HA2 0.722 4.702 3.960 0.033 0.000 0.291 149 G HA3 0.722 4.702 3.960 0.033 0.000 0.291 149 G C -0.072 174.863 174.900 0.058 0.000 1.349 149 G CA 0.117 45.293 45.100 0.126 0.000 1.038 149 G HN 0.982 nan 8.290 nan 0.000 0.518 150 G N -1.883 106.811 108.800 -0.176 0.000 2.295 150 G HA2 0.596 4.576 3.960 0.033 0.000 0.155 150 G HA3 0.596 4.576 3.960 0.033 0.000 0.155 150 G C -0.681 173.990 174.900 -0.382 0.000 1.307 150 G CA 0.585 45.522 45.100 -0.271 0.000 1.140 150 G HN 2.306 nan 8.290 nan 0.000 0.470 151 A N -1.951 120.575 122.820 -0.489 0.000 2.581 151 A HA 0.716 5.056 4.320 0.033 0.000 0.294 151 A C -1.260 176.091 177.584 -0.388 0.000 1.035 151 A CA 0.240 52.053 52.037 -0.373 0.000 0.684 151 A CB 1.025 19.855 19.000 -0.283 0.000 1.282 151 A HN 1.892 nan 8.150 nan 0.000 0.417 152 V N 1.959 121.732 119.914 -0.235 0.000 2.472 152 V HA 0.666 4.806 4.120 0.033 0.000 0.290 152 V C -0.061 175.985 176.094 -0.080 0.000 1.037 152 V CA -0.265 61.939 62.300 -0.160 0.000 0.908 152 V CB 1.073 32.849 31.823 -0.078 0.000 0.985 152 V HN 0.737 nan 8.190 nan 0.000 0.454 153 L N 3.209 124.400 121.223 -0.054 0.000 2.279 153 L HA 0.840 5.201 4.340 0.033 0.000 0.262 153 L C -0.915 175.993 176.870 0.065 0.000 1.019 153 L CA -0.643 54.197 54.840 0.000 0.000 0.823 153 L CB 2.185 44.223 42.059 -0.036 0.000 1.358 153 L HN 0.546 nan 8.230 nan 0.000 0.432 154 D N 0.756 121.232 120.400 0.127 0.000 2.609 154 D HA 0.551 5.211 4.640 0.033 0.000 0.239 154 D C -1.980 174.453 176.300 0.222 0.000 1.229 154 D CA -0.324 53.803 54.000 0.211 0.000 0.808 154 D CB 2.703 43.688 40.800 0.308 0.000 1.448 154 D HN 0.329 nan 8.370 nan 0.000 0.433 155 L N 3.721 125.110 121.223 0.277 0.000 2.611 155 L HA 0.496 4.856 4.340 0.033 0.000 0.263 155 L C -1.749 175.330 176.870 0.347 0.000 0.969 155 L CA -0.384 54.567 54.840 0.186 0.000 0.894 155 L CB 0.786 42.930 42.059 0.141 0.000 1.229 155 L HN 0.700 nan 8.230 nan 0.000 0.416 156 W N 5.189 126.598 121.300 0.182 0.000 3.164 156 W HA 0.849 5.528 4.660 0.032 0.000 0.325 156 W C -1.018 175.582 176.519 0.136 0.000 1.228 156 W CA -0.825 56.605 57.345 0.141 0.000 1.024 156 W CB 0.209 29.713 29.460 0.073 0.000 1.534 156 W HN 0.133 nan 8.180 nan 0.000 0.614 157 V N 1.151 121.235 119.914 0.283 0.000 3.438 157 V HA 0.726 4.866 4.120 0.033 0.000 0.298 157 V C 0.288 176.501 176.094 0.198 0.000 1.148 157 V CA -0.169 62.172 62.300 0.069 0.000 0.994 157 V CB 0.795 32.621 31.823 0.005 0.000 1.236 157 V HN 0.816 nan 8.190 nan 0.000 0.455 158 S N -1.494 114.260 115.700 0.090 0.000 2.840 158 S HA 0.361 4.851 4.470 0.033 0.000 0.307 158 S C 0.194 174.838 174.600 0.072 0.000 1.180 158 S CA -0.385 57.892 58.200 0.128 0.000 0.846 158 S CB 1.448 64.704 63.200 0.094 0.000 1.233 158 S HN 0.573 nan 8.310 nan 0.000 0.548 159 D N 1.925 122.365 120.400 0.067 0.000 2.097 159 D HA -0.073 4.588 4.640 0.033 0.000 0.195 159 D C 2.243 178.557 176.300 0.023 0.000 0.989 159 D CA 2.044 56.068 54.000 0.040 0.000 0.827 159 D CB -1.029 39.793 40.800 0.038 0.000 0.966 159 D HN 0.609 nan 8.370 nan 0.000 0.456 160 S N -0.280 115.432 115.700 0.020 0.000 2.382 160 S HA 0.091 4.581 4.470 0.033 0.000 0.228 160 S C 1.787 176.383 174.600 -0.006 0.000 1.027 160 S CA 0.965 59.169 58.200 0.007 0.000 0.991 160 S CB -0.364 62.842 63.200 0.009 0.000 0.823 160 S HN 0.510 nan 8.310 nan 0.000 0.469 161 G N 0.578 109.369 108.800 -0.016 0.000 2.455 161 G HA2 0.308 4.288 3.960 0.033 0.000 0.169 161 G HA3 0.308 4.288 3.960 0.033 0.000 0.169 161 G C -0.259 174.586 174.900 -0.092 0.000 1.074 161 G CA -0.333 44.737 45.100 -0.049 0.000 0.796 161 G HN 1.072 nan 8.290 nan 0.000 0.489 162 A N -0.274 122.493 122.820 -0.088 0.000 2.413 162 A HA 0.917 5.258 4.320 0.033 0.000 0.307 162 A C -0.152 177.352 177.584 -0.133 0.000 1.087 162 A CA -0.868 51.119 52.037 -0.083 0.000 0.750 162 A CB 1.164 20.162 19.000 -0.005 0.000 1.296 162 A HN 0.681 nan 8.150 nan 0.000 0.423 163 F N 0.118 120.055 119.950 -0.021 0.000 2.496 163 F HA 0.466 5.012 4.527 0.033 0.000 0.344 163 F C 0.389 176.080 175.800 -0.181 0.000 1.155 163 F CA 0.680 58.643 58.000 -0.061 0.000 1.302 163 F CB 0.664 39.646 39.000 -0.030 0.000 1.159 163 F HN 0.324 nan 8.300 nan 0.000 0.595 164 L N 3.521 124.638 121.223 -0.177 0.000 2.436 164 L HA 0.433 4.793 4.340 0.033 0.000 0.268 164 L C -1.435 175.073 176.870 -0.604 0.000 0.974 164 L CA -0.629 53.886 54.840 -0.541 0.000 0.826 164 L CB 2.058 43.443 42.059 -1.123 0.000 1.291 164 L HN 0.430 nan 8.230 nan 0.000 0.406 165 L N 4.486 125.510 121.223 -0.332 0.000 2.388 165 L HA 0.454 4.814 4.340 0.033 0.000 0.267 165 L C -0.540 176.337 176.870 0.012 0.000 0.995 165 L CA -0.163 54.601 54.840 -0.127 0.000 0.864 165 L CB 1.680 43.730 42.059 -0.016 0.000 1.216 165 L HN 0.732 nan 8.230 nan 0.000 0.430 166 E N 3.819 124.030 120.200 0.018 0.000 2.249 166 E HA 0.551 4.921 4.350 0.033 0.000 0.280 166 E C -1.645 175.070 176.600 0.192 0.000 1.016 166 E CA -0.518 56.004 56.400 0.203 0.000 0.830 166 E CB 1.779 31.726 29.700 0.412 0.000 1.081 166 E HN 0.440 nan 8.360 nan 0.000 0.395 167 V N 3.808 123.858 119.914 0.227 0.000 2.686 167 V HA 0.351 4.492 4.120 0.033 0.000 0.306 167 V C -1.206 174.971 176.094 0.138 0.000 1.065 167 V CA -0.810 61.580 62.300 0.150 0.000 0.894 167 V CB 2.154 34.080 31.823 0.171 0.000 1.004 167 V HN 0.785 nan 8.190 nan 0.000 0.424 168 D N 4.543 124.972 120.400 0.048 0.000 2.764 168 D HA 0.478 5.138 4.640 0.033 0.000 0.227 168 D C -2.946 173.327 176.300 -0.045 0.000 1.347 168 D CA -1.210 52.816 54.000 0.043 0.000 0.953 168 D CB 3.151 43.987 40.800 0.060 0.000 1.476 168 D HN 0.199 nan 8.370 nan 0.000 0.585 169 P HA 0.373 nan 4.420 nan 0.000 0.267 169 P C -1.061 176.114 177.300 -0.208 0.000 1.195 169 P CA 0.014 63.009 63.100 -0.174 0.000 0.773 169 P CB 0.847 32.460 31.700 -0.144 0.000 0.837 170 A N 1.346 123.947 122.820 -0.364 0.000 2.515 170 A HA 0.799 5.139 4.320 0.033 0.000 0.299 170 A C -1.936 175.351 177.584 -0.495 0.000 1.179 170 A CA -0.274 51.599 52.037 -0.272 0.000 0.656 170 A CB 0.865 19.799 19.000 -0.111 0.000 1.306 170 A HN 0.397 nan 8.150 nan 0.000 0.459 171 Y N -0.787 119.602 120.300 0.148 0.000 2.597 171 Y HA 0.726 5.296 4.550 0.033 0.000 0.340 171 Y C 0.063 176.033 175.900 0.117 0.000 1.097 171 Y CA -0.730 57.446 58.100 0.127 0.000 1.037 171 Y CB 1.735 40.184 38.460 -0.018 0.000 1.305 171 Y HN 0.641 nan 8.280 nan 0.000 0.463 172 R N 1.550 122.112 120.500 0.104 0.000 2.670 172 R HA 0.861 5.221 4.340 0.033 0.000 0.289 172 R C -1.073 175.191 176.300 -0.059 0.000 0.965 172 R CA -0.816 55.192 56.100 -0.154 0.000 0.899 172 R CB 1.486 31.410 30.300 -0.626 0.000 1.173 172 R HN 0.744 nan 8.270 nan 0.000 0.456 173 I N 2.349 122.885 120.570 -0.056 0.000 2.460 173 I HA 0.652 4.842 4.170 0.033 0.000 0.277 173 I C 0.047 176.135 176.117 -0.047 0.000 1.057 173 I CA -0.745 60.534 61.300 -0.035 0.000 1.179 173 I CB 0.926 38.916 38.000 -0.016 0.000 1.329 173 I HN 0.522 nan 8.210 nan 0.000 0.478 174 L N 3.154 124.345 121.223 -0.053 0.000 2.334 174 L HA 0.938 5.298 4.340 0.033 0.000 0.272 174 L C 0.270 177.124 176.870 -0.026 0.000 1.020 174 L CA -0.933 53.877 54.840 -0.050 0.000 0.812 174 L CB 0.904 42.921 42.059 -0.069 0.000 1.264 174 L HN 1.066 nan 8.230 nan 0.000 0.439 175 C N 0.634 119.923 119.300 -0.020 0.000 2.399 175 C HA 0.842 5.322 4.460 0.033 0.000 0.348 175 C C 1.070 176.057 174.990 -0.005 0.000 1.183 175 C CA 0.739 59.752 59.018 -0.008 0.000 2.023 175 C CB 1.409 29.147 27.740 -0.004 0.000 2.361 175 C HN 1.257 nan 8.230 nan 0.000 0.521 176 E N 1.246 121.447 120.200 0.001 0.000 2.876 176 E HA 0.570 4.940 4.350 0.033 0.000 0.208 176 E C -0.085 176.521 176.600 0.010 0.000 0.981 176 E CA 0.806 57.209 56.400 0.005 0.000 1.174 176 E CB 0.214 29.917 29.700 0.005 0.000 1.047 176 E HN 1.209 nan 8.360 nan 0.000 0.477 177 M N -0.886 118.721 119.600 0.011 0.000 3.022 177 M HA 0.888 5.388 4.480 0.033 0.000 0.289 177 M C 0.401 176.713 176.300 0.020 0.000 1.256 177 M CA 0.012 55.321 55.300 0.015 0.000 0.750 177 M CB 1.058 33.667 32.600 0.014 0.000 1.788 177 M HN 0.428 nan 8.290 nan 0.000 0.428 178 S N -1.054 114.660 115.700 0.023 0.000 2.718 178 S HA 0.792 5.283 4.470 0.033 0.000 0.300 178 S C 1.239 175.856 174.600 0.029 0.000 1.117 178 S CA 0.217 58.435 58.200 0.030 0.000 1.002 178 S CB 1.060 64.281 63.200 0.034 0.000 1.092 178 S HN 2.302 nan 8.310 nan 0.000 0.542 179 L N 0.916 122.161 121.223 0.036 0.000 2.275 179 L HA 0.267 4.627 4.340 0.033 0.000 0.215 179 L C 2.527 179.416 176.870 0.031 0.000 1.119 179 L CA 2.431 57.291 54.840 0.034 0.000 0.790 179 L CB -2.506 39.578 42.059 0.040 0.000 0.919 179 L HN 0.991 nan 8.230 nan 0.000 0.443 180 E N -0.843 119.376 120.200 0.031 0.000 2.166 180 E HA 0.324 4.694 4.350 0.033 0.000 0.192 180 E C 2.440 179.053 176.600 0.021 0.000 0.967 180 E CA 1.452 57.868 56.400 0.026 0.000 0.840 180 E CB -0.583 29.132 29.700 0.025 0.000 0.795 180 E HN 0.978 nan 8.360 nan 0.000 0.470 181 A N -0.354 122.478 122.820 0.022 0.000 1.897 181 A HA 0.198 4.538 4.320 0.033 0.000 0.215 181 A C 2.569 180.162 177.584 0.016 0.000 1.181 181 A CA 2.338 54.386 52.037 0.018 0.000 0.620 181 A CB -1.328 17.683 19.000 0.018 0.000 0.821 181 A HN 1.152 nan 8.150 nan 0.000 0.443 182 W N -0.707 120.603 121.300 0.017 0.000 2.418 182 W HA 0.262 4.942 4.660 0.033 0.000 0.292 182 W C 2.685 179.213 176.519 0.015 0.000 1.213 182 W CA 2.285 59.639 57.345 0.015 0.000 1.283 182 W CB -0.957 28.512 29.460 0.015 0.000 1.119 182 W HN 0.570 nan 8.180 nan 0.000 0.542 183 L N 0.713 121.947 121.223 0.018 0.000 2.156 183 L HA 0.392 4.752 4.340 0.033 0.000 0.208 183 L C 2.431 179.311 176.870 0.016 0.000 1.095 183 L CA 2.922 57.773 54.840 0.018 0.000 0.770 183 L CB -1.824 40.248 42.059 0.021 0.000 0.914 183 L HN 0.823 nan 8.230 nan 0.000 0.439 184 A N -0.895 121.934 122.820 0.015 0.000 2.066 184 A HA 0.112 4.452 4.320 0.033 0.000 0.218 184 A C 2.368 179.959 177.584 0.012 0.000 1.157 184 A CA 1.653 53.698 52.037 0.013 0.000 0.670 184 A CB -0.717 18.291 19.000 0.013 0.000 0.804 184 A HN 1.152 nan 8.150 nan 0.000 0.453 185 Q N -0.810 118.997 119.800 0.012 0.000 2.541 185 Q HA 0.342 4.702 4.340 0.033 0.000 0.215 185 Q C 1.313 177.318 176.000 0.009 0.000 0.977 185 Q CA 1.470 57.279 55.803 0.010 0.000 0.934 185 Q CB -1.247 27.497 28.738 0.010 0.000 0.988 185 Q HN 2.168 nan 8.270 nan 0.000 0.521 186 G N -2.347 106.460 108.800 0.010 0.000 2.842 186 G HA2 0.433 4.413 3.960 0.033 0.000 0.242 186 G HA3 0.433 4.413 3.960 0.033 0.000 0.242 186 G C -0.232 174.674 174.900 0.010 0.000 1.135 186 G CA 0.456 45.562 45.100 0.010 0.000 1.048 186 G HN 1.975 nan 8.290 nan 0.000 0.530 187 H N -0.856 118.221 119.070 0.012 0.000 2.996 187 H HA 0.878 5.454 4.556 0.033 0.000 0.368 187 H C -2.355 172.982 175.328 0.015 0.000 1.185 187 H CA -0.786 55.269 56.048 0.012 0.000 1.160 187 H CB 0.890 30.659 29.762 0.011 0.000 1.820 187 H HN 0.432 nan 8.280 nan 0.000 0.547 188 P HA 0.480 nan 4.420 nan 0.000 0.272 188 P C 0.357 177.669 177.300 0.020 0.000 1.254 188 P CA 0.165 63.276 63.100 0.018 0.000 0.795 188 P CB 0.154 31.864 31.700 0.017 0.000 1.022 189 L N 0.927 122.164 121.223 0.024 0.000 2.360 189 L HA 0.397 4.757 4.340 0.033 0.000 0.276 189 L C -1.572 175.314 176.870 0.027 0.000 1.121 189 L CA -1.421 53.436 54.840 0.028 0.000 0.845 189 L CB -1.674 40.404 42.059 0.033 0.000 1.143 189 L HN 0.396 nan 8.230 nan 0.000 0.452 190 P HA 0.532 nan 4.420 nan 0.000 0.272 190 P C 0.994 178.312 177.300 0.030 0.000 1.240 190 P CA 0.368 63.483 63.100 0.025 0.000 0.791 190 P CB 0.552 32.267 31.700 0.025 0.000 0.978 191 K N -0.172 120.244 120.400 0.026 0.000 2.202 191 K HA 0.297 4.637 4.320 0.033 0.000 0.201 191 K C 1.362 177.982 176.600 0.033 0.000 1.051 191 K CA 1.468 57.772 56.287 0.028 0.000 0.977 191 K CB -0.662 31.850 32.500 0.020 0.000 0.792 191 K HN 0.679 nan 8.250 nan 0.000 0.469 192 R N -0.271 120.245 120.500 0.025 0.000 2.664 192 R HA 0.789 5.149 4.340 0.033 0.000 0.286 192 R C -0.900 175.418 176.300 0.030 0.000 0.967 192 R CA -0.067 56.048 56.100 0.025 0.000 0.933 192 R CB 1.099 31.401 30.300 0.003 0.000 1.146 192 R HN 0.717 nan 8.270 nan 0.000 0.468 193 V N 1.317 121.258 119.914 0.046 0.000 2.610 193 V HA 0.753 4.893 4.120 0.033 0.000 0.288 193 V C -0.167 175.958 176.094 0.052 0.000 1.055 193 V CA -0.076 62.254 62.300 0.050 0.000 0.902 193 V CB 1.378 33.240 31.823 0.065 0.000 1.030 193 V HN 1.462 nan 8.190 nan 0.000 0.448 194 R N 4.194 124.693 120.500 -0.002 0.000 2.410 194 R HA 0.655 5.015 4.340 0.033 0.000 0.288 194 R C 0.181 176.456 176.300 -0.042 0.000 1.051 194 R CA -0.406 55.663 56.100 -0.053 0.000 1.021 194 R CB 0.184 30.437 30.300 -0.078 0.000 1.032 194 R HN 0.865 nan 8.270 nan 0.000 0.481 195 N N 0.512 119.151 118.700 -0.101 0.000 2.374 195 N HA 0.153 4.913 4.740 0.033 0.000 0.241 195 N C 1.052 176.465 175.510 -0.160 0.000 1.262 195 N CA 0.706 53.645 53.050 -0.185 0.000 0.880 195 N CB 1.247 39.419 38.487 -0.525 0.000 1.105 195 N HN 0.808 nan 8.380 nan 0.000 0.438 196 A N 1.071 123.860 122.820 -0.051 0.000 2.095 196 A HA -0.036 4.304 4.320 0.033 0.000 0.212 196 A C 1.125 178.759 177.584 0.082 0.000 1.162 196 A CA 0.518 52.588 52.037 0.055 0.000 0.753 196 A CB -0.490 18.600 19.000 0.149 0.000 0.840 196 A HN 0.789 nan 8.150 nan 0.000 0.468 197 Y N -2.762 117.582 120.300 0.075 0.000 2.458 197 Y HA 0.572 5.143 4.550 0.035 0.000 0.256 197 Y C 0.563 176.497 175.900 0.057 0.000 1.159 197 Y CA 0.078 58.216 58.100 0.063 0.000 1.261 197 Y CB -0.614 37.889 38.460 0.071 0.000 1.119 197 Y HN 0.243 nan 8.280 nan 0.000 0.524 198 D N 0.331 120.530 120.400 -0.335 0.000 2.867 198 D HA 0.722 5.382 4.640 0.033 0.000 0.308 198 D C 0.784 176.975 176.300 -0.182 0.000 1.202 198 D CA -0.239 53.628 54.000 -0.222 0.000 1.035 198 D CB 0.427 41.050 40.800 -0.295 0.000 1.427 198 D HN 0.150 nan 8.370 nan 0.000 0.570 199 R N -1.721 118.686 120.500 -0.156 0.000 2.509 199 R HA 0.681 5.041 4.340 0.033 0.000 0.297 199 R C 1.428 177.612 176.300 -0.193 0.000 0.951 199 R CA 1.300 57.315 56.100 -0.141 0.000 1.103 199 R CB -0.983 29.262 30.300 -0.092 0.000 1.283 199 R HN 1.202 nan 8.270 nan 0.000 0.534 200 R N 0.634 120.980 120.500 -0.257 0.000 2.590 200 R HA 0.539 4.899 4.340 0.033 0.000 0.274 200 R C 0.019 176.005 176.300 -0.523 0.000 1.061 200 R CA 0.771 56.634 56.100 -0.394 0.000 1.081 200 R CB -0.245 29.783 30.300 -0.452 0.000 0.984 200 R HN 0.456 nan 8.270 nan 0.000 0.448 201 T N 0.344 114.534 114.554 -0.606 0.000 2.924 201 T HA 0.739 5.109 4.350 0.033 0.000 0.291 201 T C -0.922 173.379 174.700 -0.665 0.000 1.045 201 T CA -0.304 61.495 62.100 -0.500 0.000 1.015 201 T CB 1.076 69.803 68.868 -0.235 0.000 1.103 201 T HN 0.720 nan 8.240 nan 0.000 0.496 202 W N -0.736 120.521 121.300 -0.072 0.000 3.031 202 W HA 0.564 5.243 4.660 0.032 0.000 0.337 202 W C -0.031 176.467 176.519 -0.036 0.000 1.187 202 W CA -1.000 56.313 57.345 -0.053 0.000 1.166 202 W CB 0.860 30.275 29.460 -0.074 0.000 1.437 202 W HN 0.725 nan 8.180 nan 0.000 0.551 203 E N 2.199 122.544 120.200 0.243 0.000 1.932 203 E HA 0.373 4.743 4.350 0.033 0.000 0.259 203 E C -0.712 175.964 176.600 0.126 0.000 1.099 203 E CA -0.857 55.623 56.400 0.134 0.000 0.970 203 E CB 0.272 30.028 29.700 0.094 0.000 1.143 203 E HN 0.492 nan 8.360 nan 0.000 0.441 204 L N 2.474 123.764 121.223 0.111 0.000 2.601 204 L HA 0.057 4.417 4.340 0.033 0.000 0.277 204 L C 0.962 177.880 176.870 0.079 0.000 1.219 204 L CA 0.454 55.348 54.840 0.089 0.000 0.915 204 L CB 0.285 42.385 42.059 0.067 0.000 1.160 204 L HN 0.661 nan 8.230 nan 0.000 0.494 205 L N 4.742 126.019 121.223 0.090 0.000 2.187 205 L HA 0.243 4.603 4.340 0.033 0.000 0.197 205 L C 0.941 177.857 176.870 0.076 0.000 1.090 205 L CA 0.429 55.316 54.840 0.077 0.000 0.781 205 L CB -0.201 41.904 42.059 0.078 0.000 0.956 205 L HN 0.760 nan 8.230 nan 0.000 0.463 206 R N -1.328 119.242 120.500 0.115 0.000 2.909 206 R HA 0.598 4.958 4.340 0.033 0.000 0.262 206 R C -1.364 175.026 176.300 0.151 0.000 1.095 206 R CA -0.972 55.196 56.100 0.114 0.000 0.965 206 R CB 1.234 31.590 30.300 0.093 0.000 1.300 206 R HN -0.164 nan 8.270 nan 0.000 0.442 207 L N 0.252 121.560 121.223 0.141 0.000 2.334 207 L HA 0.641 5.001 4.340 0.033 0.000 0.273 207 L C 0.108 177.108 176.870 0.217 0.000 1.013 207 L CA -1.025 53.898 54.840 0.137 0.000 0.816 207 L CB 2.111 44.218 42.059 0.080 0.000 1.278 207 L HN 0.901 nan 8.230 nan 0.000 0.431 208 G N -0.111 108.795 108.800 0.176 0.000 2.347 208 G HA2 0.442 4.422 3.960 0.033 0.000 0.314 208 G HA3 0.442 4.422 3.960 0.033 0.000 0.314 208 G C 0.165 175.134 174.900 0.115 0.000 1.126 208 G CA -0.175 45.061 45.100 0.225 0.000 0.929 208 G HN 0.750 nan 8.290 nan 0.000 0.441 209 E N 0.771 121.055 120.200 0.140 0.000 2.773 209 E HA 0.510 4.880 4.350 0.033 0.000 0.302 209 E C 0.502 177.143 176.600 0.069 0.000 1.574 209 E CA 0.457 56.907 56.400 0.082 0.000 1.775 209 E CB -0.691 29.053 29.700 0.074 0.000 1.413 209 E HN 1.079 nan 8.360 nan 0.000 0.471 210 E N 0.300 120.526 120.200 0.043 0.000 2.393 210 E HA 0.527 4.897 4.350 0.033 0.000 0.273 210 E C -1.144 175.444 176.600 -0.020 0.000 0.918 210 E CA -0.629 55.781 56.400 0.017 0.000 0.773 210 E CB 1.216 30.928 29.700 0.021 0.000 1.275 210 E HN 0.264 nan 8.360 nan 0.000 0.451 211 D N 1.496 121.883 120.400 -0.022 0.000 2.312 211 D HA 0.464 5.124 4.640 0.033 0.000 0.252 211 D C -0.624 175.641 176.300 -0.058 0.000 1.150 211 D CA -0.786 53.194 54.000 -0.034 0.000 0.870 211 D CB 1.657 42.443 40.800 -0.024 0.000 1.153 211 D HN 0.336 nan 8.370 nan 0.000 0.457 212 P HA -0.212 nan 4.420 nan 0.000 0.216 212 P C 1.221 178.470 177.300 -0.085 0.000 1.150 212 P CA 2.633 65.677 63.100 -0.093 0.000 0.837 212 P CB -0.186 31.461 31.700 -0.089 0.000 0.786 213 K N -1.243 119.120 120.400 -0.063 0.000 2.076 213 K HA 0.212 4.552 4.320 0.033 0.000 0.204 213 K C 1.839 178.409 176.600 -0.049 0.000 1.051 213 K CA 2.023 58.277 56.287 -0.055 0.000 0.949 213 K CB -1.174 31.301 32.500 -0.042 0.000 0.726 213 K HN 0.532 nan 8.250 nan 0.000 0.443 214 E N -0.164 120.011 120.200 -0.042 0.000 2.423 214 E HA 0.591 4.962 4.350 0.033 0.000 0.198 214 E C 0.255 176.834 176.600 -0.035 0.000 1.038 214 E CA 0.284 56.664 56.400 -0.033 0.000 1.011 214 E CB -0.860 28.827 29.700 -0.022 0.000 1.118 214 E HN 0.914 nan 8.360 nan 0.000 0.451 215 L N -0.207 120.984 121.223 -0.054 0.000 2.265 215 L HA 0.946 5.306 4.340 0.033 0.000 0.289 215 L C -0.973 175.859 176.870 -0.063 0.000 1.033 215 L CA -1.609 53.194 54.840 -0.062 0.000 0.814 215 L CB 0.636 42.633 42.059 -0.104 0.000 1.203 215 L HN 0.280 nan 8.230 nan 0.000 0.423 216 P HA 0.413 nan 4.420 nan 0.000 0.264 216 P C -0.673 176.600 177.300 -0.045 0.000 1.183 216 P CA 0.420 63.504 63.100 -0.028 0.000 0.763 216 P CB 0.564 32.263 31.700 -0.002 0.000 0.807 217 L N 4.028 125.225 121.223 -0.042 0.000 2.325 217 L HA 0.649 5.009 4.340 0.033 0.000 0.281 217 L C 0.064 176.922 176.870 -0.021 0.000 1.004 217 L CA -0.991 53.819 54.840 -0.049 0.000 0.823 217 L CB 0.612 42.632 42.059 -0.065 0.000 1.236 217 L HN 0.658 nan 8.230 nan 0.000 0.415 223 L N 1.868 123.020 121.223 -0.118 0.000 2.043 223 L HA 0.245 4.605 4.340 0.033 0.000 0.212 223 L C 3.375 180.161 176.870 -0.140 0.000 1.075 223 L CA 3.526 58.274 54.840 -0.154 0.000 0.752 223 L CB -2.113 39.833 42.059 -0.190 0.000 0.891 223 L HN 2.039 nan 8.230 nan 0.000 0.432 224 L N -0.214 120.942 121.223 -0.112 0.000 2.042 224 L HA -0.085 4.276 4.340 0.033 0.000 0.210 224 L C 2.538 179.354 176.870 -0.089 0.000 1.076 224 L CA 3.681 58.463 54.840 -0.096 0.000 0.749 224 L CB -2.219 39.796 42.059 -0.074 0.000 0.893 224 L HN 0.745 nan 8.230 nan 0.000 0.432 225 D N -2.604 117.748 120.400 -0.079 0.000 2.162 225 D HA 0.010 4.670 4.640 0.033 0.000 0.203 225 D C 2.146 178.400 176.300 -0.075 0.000 0.967 225 D CA 2.055 56.014 54.000 -0.068 0.000 0.840 225 D CB -0.694 40.074 40.800 -0.054 0.000 0.972 225 D HN 1.076 nan 8.370 nan 0.000 0.482 226 Y N -0.902 119.346 120.300 -0.087 0.000 2.133 226 Y HA 0.148 4.719 4.550 0.033 0.000 0.287 226 Y C 2.903 178.737 175.900 -0.110 0.000 1.134 226 Y CA 3.009 61.057 58.100 -0.088 0.000 1.133 226 Y CB -1.539 36.868 38.460 -0.088 0.000 0.987 226 Y HN 0.820 nan 8.280 nan 0.000 0.502 227 H N -1.015 117.966 119.070 -0.149 0.000 2.502 227 H HA 0.393 4.969 4.556 0.033 0.000 0.283 227 H C 2.487 177.710 175.328 -0.176 0.000 1.015 227 H CA 1.517 57.447 56.048 -0.197 0.000 1.298 227 H CB -0.582 29.018 29.762 -0.269 0.000 1.411 227 H HN 0.838 nan 8.280 nan 0.000 0.556 228 A N 0.331 123.073 122.820 -0.131 0.000 1.970 228 A HA 0.298 4.638 4.320 0.033 0.000 0.216 228 A C 2.556 180.089 177.584 -0.085 0.000 1.170 228 A CA 1.389 53.364 52.037 -0.103 0.000 0.645 228 A CB -0.836 18.115 19.000 -0.082 0.000 0.816 228 A HN 0.896 nan 8.150 nan 0.000 0.447 229 S N -1.003 114.649 115.700 -0.079 0.000 2.803 229 S HA 0.415 4.905 4.470 0.033 0.000 0.228 229 S C 1.389 175.950 174.600 -0.064 0.000 0.953 229 S CA 1.093 59.256 58.200 -0.061 0.000 0.983 229 S CB -0.610 62.560 63.200 -0.051 0.000 0.784 229 S HN 0.687 nan 8.310 nan 0.000 0.498 230 K N -0.597 119.750 120.400 -0.088 0.000 2.425 230 K HA 0.588 4.928 4.320 0.033 0.000 0.201 230 K C 1.273 177.819 176.600 -0.089 0.000 1.128 230 K CA 0.809 57.042 56.287 -0.090 0.000 1.000 230 K CB -0.366 32.056 32.500 -0.130 0.000 0.961 230 K HN 1.469 nan 8.250 nan 0.000 0.555 231 G N -1.875 106.870 108.800 -0.093 0.000 2.192 231 G HA2 0.043 4.023 3.960 0.033 0.000 0.193 231 G HA3 0.043 4.023 3.960 0.033 0.000 0.193 231 G C 1.274 176.121 174.900 -0.088 0.000 0.999 231 G CA 0.841 45.898 45.100 -0.072 0.000 0.659 231 G HN 1.038 nan 8.290 nan 0.000 0.503 232 R N -0.330 120.083 120.500 -0.146 0.000 2.148 232 R HA 0.650 5.010 4.340 0.033 0.000 0.223 232 R C 3.110 179.356 176.300 -0.090 0.000 1.088 232 R CA 2.171 58.174 56.100 -0.162 0.000 0.985 232 R CB -1.397 28.716 30.300 -0.312 0.000 0.880 232 R HN 1.779 nan 8.270 nan 0.000 0.451 233 L N 0.088 121.260 121.223 -0.084 0.000 2.456 233 L HA 0.335 4.695 4.340 0.033 0.000 0.224 233 L C 1.996 178.845 176.870 -0.034 0.000 1.148 233 L CA 1.822 56.628 54.840 -0.057 0.000 0.825 233 L CB -2.196 39.828 42.059 -0.059 0.000 0.937 233 L HN 0.873 nan 8.230 nan 0.000 0.450 234 Q N -0.742 119.039 119.800 -0.031 0.000 2.293 234 Q HA 0.495 4.855 4.340 0.033 0.000 0.251 234 Q C 1.540 177.537 176.000 -0.004 0.000 0.930 234 Q CA 0.338 56.131 55.803 -0.016 0.000 0.893 234 Q CB 0.180 28.909 28.738 -0.015 0.000 1.215 234 Q HN 2.129 nan 8.270 nan 0.000 0.425 235 G N -1.089 107.711 108.800 0.000 0.000 2.186 235 G HA2 0.140 4.120 3.960 0.033 0.000 0.266 235 G HA3 0.140 4.120 3.960 0.033 0.000 0.266 235 G C 0.468 175.375 174.900 0.012 0.000 0.982 235 G CA 1.513 46.618 45.100 0.008 0.000 0.670 235 G HN 2.003 nan 8.290 nan 0.000 0.533 236 R N -2.136 118.368 120.500 0.008 0.000 2.752 236 R HA 1.016 5.376 4.340 0.033 0.000 0.271 236 R C -0.488 175.814 176.300 0.002 0.000 1.026 236 R CA 1.034 57.142 56.100 0.012 0.000 0.901 236 R CB 0.462 30.776 30.300 0.025 0.000 1.243 236 R HN 1.887 nan 8.270 nan 0.000 0.463 237 E N 0.098 120.302 120.200 0.005 0.000 2.402 237 E HA 0.567 4.937 4.350 0.033 0.000 0.244 237 E C 0.488 177.087 176.600 -0.002 0.000 0.945 237 E CA -0.589 55.809 56.400 -0.003 0.000 0.774 237 E CB 1.055 30.754 29.700 -0.001 0.000 1.296 237 E HN 1.899 nan 8.360 nan 0.000 0.414 238 G N 1.142 109.934 108.800 -0.014 0.000 2.224 238 G HA2 0.384 4.364 3.960 0.033 0.000 0.239 238 G HA3 0.384 4.364 3.960 0.033 0.000 0.239 238 G C 0.908 175.798 174.900 -0.016 0.000 1.240 238 G CA 0.538 45.627 45.100 -0.018 0.000 0.896 238 G HN 0.879 nan 8.290 nan 0.000 0.496 239 G N 1.270 110.067 108.800 -0.005 0.000 3.086 239 G HA2 0.651 4.631 3.960 0.033 0.000 0.159 239 G HA3 0.651 4.631 3.960 0.033 0.000 0.159 239 G C 0.685 175.573 174.900 -0.020 0.000 1.654 239 G CA 0.337 45.433 45.100 -0.005 0.000 1.078 239 G HN 0.989 nan 8.290 nan 0.000 0.558 240 R N -1.729 118.762 120.500 -0.015 0.000 2.549 240 R HA 0.757 5.117 4.340 0.033 0.000 0.259 240 R C 0.537 176.808 176.300 -0.049 0.000 1.095 240 R CA -0.144 55.940 56.100 -0.028 0.000 1.148 240 R CB -0.744 29.549 30.300 -0.011 0.000 1.181 240 R HN 1.631 nan 8.270 nan 0.000 0.571 241 V N -0.410 119.455 119.914 -0.081 0.000 2.673 241 V HA 0.534 4.674 4.120 0.033 0.000 0.303 241 V C 0.806 176.834 176.094 -0.110 0.000 1.046 241 V CA 0.369 62.577 62.300 -0.153 0.000 1.126 241 V CB 0.632 32.315 31.823 -0.233 0.000 0.934 241 V HN 1.508 nan 8.190 nan 0.000 0.487 242 A N 5.249 127.993 122.820 -0.126 0.000 2.709 242 A HA 0.538 4.878 4.320 0.033 0.000 0.332 242 A C -0.654 176.905 177.584 -0.041 0.000 1.241 242 A CA -0.503 51.514 52.037 -0.034 0.000 0.782 242 A CB -0.133 18.870 19.000 0.005 0.000 1.109 242 A HN 0.923 nan 8.150 nan 0.000 0.472 243 W N 2.539 123.824 121.300 -0.025 0.000 2.611 243 W HA 0.275 4.955 4.660 0.032 0.000 0.346 243 W C 0.196 176.683 176.519 -0.053 0.000 1.365 243 W CA 0.751 58.072 57.345 -0.040 0.000 1.313 243 W CB 0.386 29.832 29.460 -0.024 0.000 1.351 243 W HN 0.409 nan 8.180 nan 0.000 0.576 244 V N 3.372 123.373 119.914 0.145 0.000 3.103 244 V HA 0.888 5.028 4.120 0.033 0.000 0.318 244 V C 0.128 176.276 176.094 0.090 0.000 1.114 244 V CA -1.259 61.066 62.300 0.042 0.000 1.020 244 V CB 1.723 33.423 31.823 -0.204 0.000 1.085 244 V HN 0.474 nan 8.190 nan 0.000 0.446 245 A N 0.603 123.501 122.820 0.129 0.000 2.475 245 A HA 0.660 5.000 4.320 0.033 0.000 0.301 245 A C -0.912 176.855 177.584 0.305 0.000 1.059 245 A CA -0.543 51.595 52.037 0.168 0.000 0.710 245 A CB 1.433 20.506 19.000 0.122 0.000 1.288 245 A HN 0.808 nan 8.150 nan 0.000 0.408 246 D N 2.146 122.746 120.400 0.334 0.000 2.390 246 D HA 0.405 5.065 4.640 0.033 0.000 0.236 246 D C -0.635 175.780 176.300 0.191 0.000 1.189 246 D CA 0.145 54.374 54.000 0.381 0.000 0.887 246 D CB 1.089 42.055 40.800 0.277 0.000 1.198 246 D HN 0.279 nan 8.370 nan 0.000 0.444 247 P HA -0.033 nan 4.420 nan 0.000 0.222 247 P C 1.103 178.406 177.300 0.005 0.000 1.157 247 P CA 2.233 65.344 63.100 0.019 0.000 0.816 247 P CB -0.253 31.417 31.700 -0.051 0.000 0.813 248 K N -0.783 119.622 120.400 0.008 0.000 2.005 248 K HA 0.174 4.514 4.320 0.033 0.000 0.206 248 K C 1.319 177.931 176.600 0.021 0.000 1.044 248 K CA 1.702 57.991 56.287 0.003 0.000 0.942 248 K CB -1.418 31.083 32.500 0.002 0.000 0.727 248 K HN 0.507 nan 8.250 nan 0.000 0.439 249 D N 0.280 120.710 120.400 0.050 0.000 2.479 249 D HA 0.550 5.210 4.640 0.033 0.000 0.218 249 D C -0.921 175.416 176.300 0.062 0.000 1.131 249 D CA -0.659 53.373 54.000 0.054 0.000 0.916 249 D CB 0.666 41.506 40.800 0.067 0.000 1.022 249 D HN 0.402 nan 8.370 nan 0.000 0.515 250 P HA 0.087 nan 4.420 nan 0.000 0.233 250 P C 1.817 179.137 177.300 0.033 0.000 1.167 250 P CA 1.872 64.993 63.100 0.036 0.000 0.770 250 P CB -0.014 31.692 31.700 0.010 0.000 0.837 251 R N -0.567 119.950 120.500 0.029 0.000 2.064 251 R HA 0.364 4.724 4.340 0.033 0.000 0.221 251 R C 1.816 178.126 176.300 0.017 0.000 1.136 251 R CA 1.697 57.806 56.100 0.015 0.000 0.980 251 R CB -1.417 28.889 30.300 0.011 0.000 0.876 251 R HN 0.601 nan 8.270 nan 0.000 0.437 252 K N 3.121 123.544 120.400 0.039 0.000 2.349 252 K HA 0.482 4.822 4.320 0.033 0.000 0.289 252 K C -2.557 174.094 176.600 0.084 0.000 1.064 252 K CA -1.662 54.655 56.287 0.050 0.000 0.947 252 K CB 0.205 32.743 32.500 0.064 0.000 1.007 252 K HN 0.447 nan 8.250 nan 0.000 0.478 253 P HA 0.556 nan 4.420 nan 0.000 0.279 253 P C -0.615 176.886 177.300 0.335 0.000 1.252 253 P CA -0.560 62.665 63.100 0.208 0.000 0.811 253 P CB 0.731 32.498 31.700 0.111 0.000 1.035 254 I N 1.385 122.125 120.570 0.283 0.000 2.586 254 I HA 0.294 4.484 4.170 0.033 0.000 0.288 254 I C -2.569 173.455 176.117 -0.156 0.000 1.147 254 I CA -2.632 58.699 61.300 0.051 0.000 1.047 254 I CB 2.426 40.349 38.000 -0.130 0.000 1.244 254 I HN 0.116 nan 8.210 nan 0.000 0.429 255 P HA 0.217 nan 4.420 nan 0.000 0.271 255 P C -1.178 175.936 177.300 -0.311 0.000 1.233 255 P CA 0.117 62.840 63.100 -0.628 0.000 0.789 255 P CB 0.427 31.663 31.700 -0.773 0.000 0.951 256 H N -2.012 116.835 119.070 -0.372 0.000 3.005 256 H HA 0.535 5.112 4.556 0.035 0.000 0.311 256 H C -1.263 173.957 175.328 -0.180 0.000 1.366 256 H CA -0.740 55.154 56.048 -0.258 0.000 1.210 256 H CB 0.248 29.830 29.762 -0.300 0.000 1.894 256 H HN 0.271 nan 8.280 nan 0.000 0.520 257 L N 1.423 122.596 121.223 -0.083 0.000 2.326 257 L HA 0.391 4.751 4.340 0.033 0.000 0.278 257 L C 1.495 178.459 176.870 0.156 0.000 1.092 257 L CA 0.084 54.925 54.840 0.002 0.000 0.810 257 L CB 0.233 42.239 42.059 -0.088 0.000 1.153 257 L HN 0.962 nan 8.230 nan 0.000 0.439 258 T N -1.173 113.424 114.554 0.072 0.000 3.227 258 T HA 0.129 4.499 4.350 0.033 0.000 0.257 258 T C 1.433 176.176 174.700 0.072 0.000 1.162 258 T CA 1.162 63.305 62.100 0.072 0.000 1.051 258 T CB -0.321 68.570 68.868 0.038 0.000 0.953 258 T HN 1.210 nan 8.240 nan 0.000 0.535 259 G N 0.625 109.471 108.800 0.077 0.000 2.608 259 G HA2 0.350 4.330 3.960 0.033 0.000 0.210 259 G HA3 0.350 4.330 3.960 0.033 0.000 0.210 259 G C 1.431 176.399 174.900 0.113 0.000 1.139 259 G CA 0.341 45.482 45.100 0.069 0.000 0.812 259 G HN 0.707 nan 8.290 nan 0.000 0.529 260 L N 0.597 121.927 121.223 0.179 0.000 2.627 260 L HA 0.731 5.091 4.340 0.033 0.000 0.232 260 L C 0.563 177.628 176.870 0.325 0.000 1.150 260 L CA 0.208 55.233 54.840 0.308 0.000 0.917 260 L CB -1.013 41.286 42.059 0.400 0.000 1.104 260 L HN 0.163 nan 8.230 nan 0.000 0.445 261 L N -0.211 121.124 121.223 0.187 0.000 2.362 261 L HA 0.791 5.151 4.340 0.033 0.000 0.271 261 L C -0.899 176.011 176.870 0.067 0.000 1.002 261 L CA -1.122 53.776 54.840 0.098 0.000 0.818 261 L CB 2.176 44.264 42.059 0.049 0.000 1.298 261 L HN -0.011 nan 8.230 nan 0.000 0.420 262 V N 2.377 122.317 119.914 0.043 0.000 2.604 262 V HA 0.419 4.559 4.120 0.033 0.000 0.305 262 V C -2.397 173.709 176.094 0.020 0.000 1.043 262 V CA -1.974 60.343 62.300 0.029 0.000 0.888 262 V CB 1.988 33.823 31.823 0.020 0.000 0.995 262 V HN 0.578 nan 8.190 nan 0.000 0.429 263 P HA 0.295 nan 4.420 nan 0.000 0.276 263 P C -0.321 176.983 177.300 0.006 0.000 1.235 263 P CA 0.075 63.184 63.100 0.015 0.000 0.772 263 P CB 0.662 32.372 31.700 0.016 0.000 0.871 264 V N 3.504 123.420 119.914 0.003 0.000 2.267 264 V HA 0.448 4.588 4.120 0.033 0.000 0.254 264 V C 0.684 176.777 176.094 -0.003 0.000 1.144 264 V CA -0.514 61.782 62.300 -0.006 0.000 0.992 264 V CB -0.626 31.189 31.823 -0.013 0.000 1.199 264 V HN 0.546 nan 8.190 nan 0.000 0.493 265 L N 3.568 124.788 121.223 -0.004 0.000 2.426 265 L HA 0.914 5.274 4.340 0.033 0.000 0.271 265 L C 0.864 177.732 176.870 -0.004 0.000 1.169 265 L CA 0.793 55.632 54.840 -0.002 0.000 0.836 265 L CB -0.213 41.844 42.059 -0.003 0.000 1.112 265 L HN 1.219 nan 8.230 nan 0.000 0.465 266 T N 0.469 115.023 114.554 -0.001 0.000 3.482 266 T HA 0.561 4.931 4.350 0.033 0.000 0.195 266 T C 1.946 176.647 174.700 0.001 0.000 0.940 266 T CA 1.742 63.842 62.100 0.000 0.000 1.044 266 T CB -0.917 67.953 68.868 0.002 0.000 1.209 266 T HN 1.794 nan 8.240 nan 0.000 0.318 267 L N 1.266 122.491 121.223 0.005 0.000 1.970 267 L HA 0.480 4.840 4.340 0.033 0.000 0.212 267 L C 2.130 179.001 176.870 0.002 0.000 1.071 267 L CA 3.269 58.112 54.840 0.006 0.000 0.751 267 L CB -2.440 39.625 42.059 0.010 0.000 0.889 267 L HN 1.721 nan 8.230 nan 0.000 0.432 281 L N -1.357 119.952 121.223 0.142 0.000 2.556 281 L HA 1.039 5.399 4.340 0.033 0.000 0.257 281 L C -2.778 174.164 176.870 0.119 0.000 0.955 281 L CA -0.718 54.200 54.840 0.129 0.000 0.850 281 L CB 0.427 42.567 42.059 0.135 0.000 1.398 281 L HN 1.449 nan 8.230 nan 0.000 0.412 282 P HA 0.455 nan 4.420 nan 0.000 0.281 282 P C 0.725 178.097 177.300 0.120 0.000 1.264 282 P CA 0.436 63.588 63.100 0.087 0.000 0.824 282 P CB 0.852 32.548 31.700 -0.006 0.000 1.092 283 W N 0.623 121.986 121.300 0.104 0.000 2.467 283 W HA 0.021 4.698 4.660 0.028 0.000 0.275 283 W C 1.360 177.948 176.519 0.114 0.000 1.239 283 W CA 1.751 59.193 57.345 0.161 0.000 1.266 283 W CB -1.273 28.294 29.460 0.180 0.000 1.112 283 W HN 0.522 nan 8.180 nan 0.000 0.576 284 E N 2.038 121.750 120.200 -0.813 0.000 2.031 284 E HA -0.299 4.071 4.350 0.033 0.000 0.193 284 E C 1.872 178.274 176.600 -0.330 0.000 0.994 284 E CA 2.019 57.943 56.400 -0.793 0.000 0.800 284 E CB -1.158 28.105 29.700 -0.729 0.000 0.752 284 E HN 0.614 nan 8.360 nan 0.000 0.447 285 E N -0.403 119.677 120.200 -0.201 0.000 2.072 285 E HA -0.172 4.198 4.350 0.033 0.000 0.190 285 E C 2.410 178.968 176.600 -0.071 0.000 0.982 285 E CA 0.989 57.325 56.400 -0.107 0.000 0.803 285 E CB -0.073 29.597 29.700 -0.051 0.000 0.755 285 E HN 0.444 nan 8.360 nan 0.000 0.453 286 R N 0.863 121.362 120.500 -0.002 0.000 2.081 286 R HA -0.180 4.180 4.340 0.033 0.000 0.235 286 R C 2.604 178.846 176.300 -0.096 0.000 1.131 286 R CA 1.689 57.816 56.100 0.045 0.000 0.960 286 R CB -0.284 30.148 30.300 0.220 0.000 0.856 286 R HN 0.075 nan 8.270 nan 0.000 0.436 287 R N 0.851 121.187 120.500 -0.273 0.000 2.080 287 R HA -0.220 4.140 4.340 0.033 0.000 0.236 287 R C 2.360 178.454 176.300 -0.344 0.000 1.137 287 R CA 1.983 57.688 56.100 -0.658 0.000 0.943 287 R CB -0.515 29.450 30.300 -0.558 0.000 0.846 287 R HN 0.265 nan 8.270 nan 0.000 0.431 288 R N 0.334 120.700 120.500 -0.223 0.000 2.127 288 R HA -0.161 4.199 4.340 0.033 0.000 0.228 288 R C 2.373 178.598 176.300 -0.124 0.000 1.125 288 R CA 1.846 57.853 56.100 -0.155 0.000 0.904 288 R CB -0.456 29.771 30.300 -0.122 0.000 0.831 288 R HN 0.194 nan 8.270 nan 0.000 0.431 289 R N -0.175 120.264 120.500 -0.102 0.000 2.174 289 R HA -0.154 4.206 4.340 0.033 0.000 0.253 289 R C 2.188 178.425 176.300 -0.105 0.000 1.165 289 R CA 2.263 58.306 56.100 -0.095 0.000 0.984 289 R CB -0.789 29.460 30.300 -0.085 0.000 0.873 289 R HN 0.516 nan 8.270 nan 0.000 0.456 290 T N 0.123 114.626 114.554 -0.086 0.000 2.812 290 T HA -0.040 4.330 4.350 0.033 0.000 0.264 290 T C 1.881 176.563 174.700 -0.029 0.000 1.042 290 T CA 0.837 62.925 62.100 -0.020 0.000 1.140 290 T CB -0.071 68.838 68.868 0.069 0.000 0.870 290 T HN 0.314 nan 8.240 nan 0.000 0.445 291 R N 0.923 121.396 120.500 -0.045 0.000 2.096 291 R HA -0.063 4.297 4.340 0.033 0.000 0.235 291 R C 2.461 178.672 176.300 -0.149 0.000 1.127 291 R CA 1.254 57.314 56.100 -0.068 0.000 0.968 291 R CB -0.163 30.089 30.300 -0.080 0.000 0.861 291 R HN 0.582 nan 8.270 nan 0.000 0.440 292 E N 0.706 120.835 120.200 -0.118 0.000 2.001 292 E HA -0.172 4.198 4.350 0.033 0.000 0.195 292 E C 1.977 178.500 176.600 -0.128 0.000 1.002 292 E CA 1.194 57.538 56.400 -0.092 0.000 0.819 292 E CB -0.150 29.511 29.700 -0.066 0.000 0.769 292 E HN 0.192 nan 8.360 nan 0.000 0.454 293 I N 1.248 121.700 120.570 -0.197 0.000 2.479 293 I HA -0.282 3.908 4.170 0.033 0.000 0.258 293 I C 2.305 178.244 176.117 -0.297 0.000 1.165 293 I CA 1.276 62.392 61.300 -0.305 0.000 1.422 293 I CB -1.425 36.380 38.000 -0.325 0.000 1.087 293 I HN 0.074 nan 8.210 nan 0.000 0.441 294 A N 0.499 123.098 122.820 -0.367 0.000 1.903 294 A HA -0.052 4.288 4.320 0.033 0.000 0.213 294 A C 2.569 179.940 177.584 -0.355 0.000 1.185 294 A CA 1.313 53.005 52.037 -0.576 0.000 0.628 294 A CB -0.527 17.614 19.000 -1.431 0.000 0.830 294 A HN 0.381 nan 8.150 nan 0.000 0.446 295 S N -0.817 114.743 115.700 -0.233 0.000 2.368 295 S HA -0.171 4.319 4.470 0.033 0.000 0.225 295 S C 1.649 176.269 174.600 0.033 0.000 1.030 295 S CA 1.287 59.430 58.200 -0.095 0.000 0.999 295 S CB -0.473 62.692 63.200 -0.058 0.000 0.844 295 S HN 0.866 nan 8.310 nan 0.000 0.459 296 W N 3.392 124.601 121.300 -0.151 0.000 2.358 296 W HA -0.121 4.562 4.660 0.037 0.000 0.303 296 W C 2.325 178.774 176.519 -0.118 0.000 1.208 296 W CA 1.373 58.648 57.345 -0.115 0.000 1.274 296 W CB -1.172 28.227 29.460 -0.100 0.000 1.138 296 W HN 0.239 nan 8.180 nan 0.000 0.515 297 I N 1.809 122.654 120.570 0.459 0.000 2.226 297 I HA 0.011 4.201 4.170 0.033 0.000 0.245 297 I C 2.503 178.669 176.117 0.081 0.000 1.100 297 I CA 2.644 64.098 61.300 0.256 0.000 1.374 297 I CB -1.908 36.075 38.000 -0.028 0.000 1.057 297 I HN 0.187 nan 8.210 nan 0.000 0.413 298 G N 0.190 108.988 108.800 -0.003 0.000 2.442 298 G HA2 -0.280 3.700 3.960 0.033 0.000 0.219 298 G HA3 -0.280 3.700 3.960 0.033 0.000 0.219 298 G C 1.908 176.782 174.900 -0.043 0.000 1.141 298 G CA 1.065 46.134 45.100 -0.053 0.000 0.763 298 G HN 0.707 nan 8.290 nan 0.000 0.554 299 R N 0.534 121.015 120.500 -0.032 0.000 2.175 299 R HA 0.173 4.533 4.340 0.033 0.000 0.202 299 R C 1.893 178.150 176.300 -0.073 0.000 1.018 299 R CA 0.104 56.170 56.100 -0.057 0.000 1.029 299 R CB -0.330 29.929 30.300 -0.068 0.000 0.959 299 R HN 0.235 nan 8.270 nan 0.000 0.480 300 R N 0.628 121.085 120.500 -0.072 0.000 2.343 300 R HA 0.080 4.440 4.340 0.033 0.000 0.202 300 R C 0.558 176.837 176.300 -0.035 0.000 1.023 300 R CA 0.103 56.152 56.100 -0.086 0.000 1.084 300 R CB 0.185 30.408 30.300 -0.127 0.000 0.956 300 R HN 0.102 nan 8.270 nan 0.000 0.478 301 L N -1.742 119.455 121.223 -0.043 0.000 3.128 301 L HA 0.304 4.665 4.340 0.033 0.000 0.277 301 L C 0.781 177.598 176.870 -0.089 0.000 1.171 301 L CA 0.701 55.507 54.840 -0.057 0.000 1.008 301 L CB 0.713 42.733 42.059 -0.064 0.000 1.442 301 L HN 0.258 nan 8.230 nan 0.000 0.584 302 G N 0.903 109.655 108.800 -0.080 0.000 2.272 302 G HA2 -0.263 3.717 3.960 0.033 0.000 0.280 302 G HA3 -0.263 3.717 3.960 0.033 0.000 0.280 302 G C 0.661 175.498 174.900 -0.105 0.000 1.067 302 G CA 0.740 45.792 45.100 -0.080 0.000 0.902 302 G HN 0.349 nan 8.290 nan 0.000 0.500 303 L N -0.910 120.246 121.223 -0.110 0.000 2.920 303 L HA 0.509 4.869 4.340 0.033 0.000 0.257 303 L C 1.412 178.248 176.870 -0.057 0.000 1.150 303 L CA 0.377 55.138 54.840 -0.133 0.000 0.959 303 L CB 0.328 42.253 42.059 -0.223 0.000 1.321 303 L HN 1.260 nan 8.230 nan 0.000 0.555 304 G N 0.261 109.033 108.800 -0.046 0.000 2.498 304 G HA2 -0.178 3.802 3.960 0.033 0.000 0.651 304 G HA3 -0.178 3.802 3.960 0.033 0.000 0.651 304 G C -0.448 174.439 174.900 -0.021 0.000 1.284 304 G CA -0.802 44.285 45.100 -0.022 0.000 0.950 304 G HN -0.163 nan 8.290 nan 0.000 0.511 305 T N 3.174 117.724 114.554 -0.007 0.000 2.799 305 T HA 0.485 4.855 4.350 0.033 0.000 0.296 305 T C -2.046 172.664 174.700 0.016 0.000 0.947 305 T CA 0.042 62.140 62.100 -0.003 0.000 1.141 305 T CB 0.953 69.825 68.868 0.007 0.000 0.891 305 T HN 0.472 nan 8.240 nan 0.000 0.533 306 P HA 0.260 nan 4.420 nan 0.000 0.268 306 P C -0.378 177.022 177.300 0.167 0.000 1.282 306 P CA -0.270 62.853 63.100 0.038 0.000 0.880 306 P CB 0.265 31.863 31.700 -0.171 0.000 0.971 307 E N 2.939 123.254 120.200 0.192 0.000 2.105 307 E HA 0.410 4.780 4.350 0.033 0.000 0.285 307 E C -0.095 176.661 176.600 0.260 0.000 1.055 307 E CA -0.543 55.976 56.400 0.198 0.000 0.843 307 E CB 0.257 30.031 29.700 0.122 0.000 1.067 307 E HN 0.376 nan 8.360 nan 0.000 0.398 308 A N 4.626 127.623 122.820 0.294 0.000 2.496 308 A HA 0.146 4.486 4.320 0.033 0.000 0.278 308 A C 0.372 178.038 177.584 0.136 0.000 1.137 308 A CA -0.185 51.929 52.037 0.127 0.000 0.805 308 A CB -0.295 18.797 19.000 0.154 0.000 1.077 308 A HN 0.608 nan 8.150 nan 0.000 0.513 309 V N 2.801 122.714 119.914 -0.002 0.000 2.901 309 V HA 0.538 4.678 4.120 0.033 0.000 0.307 309 V C 0.519 176.624 176.094 0.019 0.000 1.084 309 V CA 0.905 63.214 62.300 0.014 0.000 1.184 309 V CB 0.440 32.257 31.823 -0.010 0.000 0.941 309 V HN 1.433 nan 8.190 nan 0.000 0.493 310 R N 3.622 124.095 120.500 -0.045 0.000 2.807 310 R HA 0.956 5.316 4.340 0.033 0.000 0.276 310 R C -0.296 175.941 176.300 -0.105 0.000 0.979 310 R CA -0.372 55.638 56.100 -0.150 0.000 0.928 310 R CB 1.639 31.779 30.300 -0.266 0.000 1.191 310 R HN 2.319 nan 8.270 nan 0.000 0.471 311 A N 0.774 123.520 122.820 -0.123 0.000 2.527 311 A HA 0.680 5.020 4.320 0.033 0.000 0.293 311 A C -1.290 176.220 177.584 -0.123 0.000 1.117 311 A CA -0.701 51.281 52.037 -0.092 0.000 0.723 311 A CB 1.720 20.686 19.000 -0.057 0.000 1.313 311 A HN 0.762 nan 8.150 nan 0.000 0.411 312 Q N 0.501 120.237 119.800 -0.107 0.000 2.288 312 Q HA 0.612 4.972 4.340 0.033 0.000 0.258 312 Q C 0.074 175.981 176.000 -0.155 0.000 0.957 312 Q CA 0.359 56.063 55.803 -0.165 0.000 0.919 312 Q CB 1.360 30.010 28.738 -0.147 0.000 1.185 312 Q HN 0.949 nan 8.270 nan 0.000 0.408 313 A N 2.591 125.270 122.820 -0.236 0.000 2.282 313 A HA 0.825 5.166 4.320 0.033 0.000 0.324 313 A C -1.345 176.084 177.584 -0.259 0.000 1.119 313 A CA -0.640 51.318 52.037 -0.131 0.000 0.880 313 A CB 0.988 19.922 19.000 -0.109 0.000 1.294 313 A HN 0.711 nan 8.150 nan 0.000 0.493 314 Y N -1.084 119.173 120.300 -0.072 0.000 2.307 314 Y HA 0.512 5.082 4.550 0.033 0.000 0.323 314 Y C 0.771 176.671 175.900 0.000 0.000 1.100 314 Y CA -0.588 57.510 58.100 -0.004 0.000 1.140 314 Y CB 1.234 39.747 38.460 0.089 0.000 1.159 314 Y HN 0.915 nan 8.280 nan 0.000 0.436 315 R N 3.940 124.488 120.500 0.079 0.000 2.457 315 R HA 0.311 4.671 4.340 0.033 0.000 0.335 315 R C -0.382 175.965 176.300 0.078 0.000 1.003 315 R CA -0.077 56.044 56.100 0.034 0.000 1.003 315 R CB -1.005 29.301 30.300 0.010 0.000 0.950 315 R HN 0.778 nan 8.270 nan 0.000 0.428 316 L N 2.211 123.460 121.223 0.043 0.000 2.461 316 L HA 0.160 4.520 4.340 0.033 0.000 0.272 316 L C 1.210 178.226 176.870 0.244 0.000 1.197 316 L CA -0.155 54.766 54.840 0.135 0.000 0.836 316 L CB 1.308 43.442 42.059 0.125 0.000 1.105 316 L HN 0.905 nan 8.230 nan 0.000 0.477 317 S N 3.140 119.023 115.700 0.304 0.000 2.515 317 S HA 0.213 4.703 4.470 0.033 0.000 0.285 317 S C 0.055 174.918 174.600 0.438 0.000 1.265 317 S CA -0.740 57.644 58.200 0.308 0.000 1.079 317 S CB -0.168 63.171 63.200 0.232 0.000 0.877 317 S HN 0.379 nan 8.310 nan 0.000 0.493 318 I N 4.385 125.109 120.570 0.255 0.000 2.948 318 I HA 0.042 4.232 4.170 0.033 0.000 0.303 318 I C -1.826 174.216 176.117 -0.124 0.000 1.224 318 I CA -1.127 60.234 61.300 0.101 0.000 1.442 318 I CB -0.002 38.036 38.000 0.064 0.000 1.328 318 I HN 0.493 nan 8.210 nan 0.000 0.578 319 P HA 0.237 nan 4.420 nan 0.000 0.281 319 P C -0.792 176.361 177.300 -0.246 0.000 1.249 319 P CA -0.506 62.158 63.100 -0.726 0.000 0.810 319 P CB 0.582 31.635 31.700 -1.080 0.000 1.008 320 K N 3.006 123.358 120.400 -0.081 0.000 2.244 320 K HA 0.261 4.601 4.320 0.033 0.000 0.263 320 K C -0.053 176.531 176.600 -0.027 0.000 1.103 320 K CA -0.380 55.894 56.287 -0.022 0.000 0.966 320 K CB -0.923 31.598 32.500 0.036 0.000 1.429 320 K HN 0.498 nan 8.250 nan 0.000 0.434 321 L N 2.073 123.266 121.223 -0.049 0.000 2.410 321 L HA 0.393 4.753 4.340 0.033 0.000 0.273 321 L C -0.024 176.856 176.870 0.017 0.000 1.152 321 L CA -0.467 54.356 54.840 -0.030 0.000 0.855 321 L CB 1.228 43.284 42.059 -0.004 0.000 1.129 321 L HN 0.728 nan 8.230 nan 0.000 0.463 322 M N 3.184 122.802 119.600 0.029 0.000 2.134 322 M HA 0.401 4.901 4.480 0.033 0.000 0.310 322 M C 0.297 176.694 176.300 0.162 0.000 0.966 322 M CA -0.334 55.032 55.300 0.111 0.000 0.922 322 M CB 1.477 34.197 32.600 0.200 0.000 1.537 322 M HN 0.500 nan 8.290 nan 0.000 0.424 323 G N 2.530 111.407 108.800 0.129 0.000 3.048 323 G HA2 0.088 4.068 3.960 0.033 0.000 0.151 323 G HA3 0.088 4.068 3.960 0.033 0.000 0.151 323 G C 0.714 175.710 174.900 0.160 0.000 1.803 323 G CA 0.179 45.361 45.100 0.137 0.000 1.047 323 G HN 0.643 nan 8.290 nan 0.000 0.513 324 R N -0.037 120.487 120.500 0.041 0.000 2.057 324 R HA 0.222 4.582 4.340 0.033 0.000 0.224 324 R C 1.832 178.132 176.300 0.000 0.000 1.136 324 R CA 1.528 57.620 56.100 -0.012 0.000 0.968 324 R CB -0.984 29.275 30.300 -0.069 0.000 0.863 324 R HN 0.530 nan 8.270 nan 0.000 0.433 325 R N 0.460 120.958 120.500 -0.004 0.000 2.573 325 R HA 0.786 5.146 4.340 0.033 0.000 0.272 325 R C 0.018 176.334 176.300 0.027 0.000 1.009 325 R CA -0.141 55.964 56.100 0.007 0.000 1.059 325 R CB -0.299 29.995 30.300 -0.010 0.000 1.112 325 R HN 0.519 nan 8.270 nan 0.000 0.517 326 A N 0.356 123.195 122.820 0.032 0.000 2.547 326 A HA 0.480 4.820 4.320 0.033 0.000 0.233 326 A C 0.625 178.223 177.584 0.025 0.000 1.067 326 A CA 0.693 52.751 52.037 0.036 0.000 0.763 326 A CB -0.219 18.799 19.000 0.031 0.000 1.007 326 A HN 2.101 nan 8.150 nan 0.000 0.506 327 V N -1.460 118.471 119.914 0.028 0.000 3.159 327 V HA 0.748 4.888 4.120 0.033 0.000 0.308 327 V C 0.531 176.646 176.094 0.035 0.000 1.190 327 V CA 0.109 62.422 62.300 0.022 0.000 1.037 327 V CB 1.369 33.202 31.823 0.017 0.000 1.060 327 V HN 1.426 nan 8.190 nan 0.000 0.437 328 S N -0.142 115.580 115.700 0.037 0.000 2.497 328 S HA 0.306 4.796 4.470 0.033 0.000 0.218 328 S C 0.406 175.081 174.600 0.125 0.000 1.023 328 S CA 0.411 58.656 58.200 0.074 0.000 0.913 328 S CB -0.251 62.985 63.200 0.060 0.000 0.800 328 S HN 1.115 nan 8.310 nan 0.000 0.505 329 K N -0.247 120.171 120.400 0.029 0.000 2.527 329 K HA 0.515 4.855 4.320 0.033 0.000 0.260 329 K C -3.164 173.367 176.600 -0.115 0.000 0.937 329 K CA -2.008 54.230 56.287 -0.081 0.000 0.826 329 K CB 1.416 33.774 32.500 -0.238 0.000 1.359 329 K HN -0.297 nan 8.250 nan 0.000 0.434 330 P HA -0.181 nan 4.420 nan 0.000 0.219 330 P C 1.118 178.323 177.300 -0.159 0.000 1.146 330 P CA 1.672 64.716 63.100 -0.094 0.000 0.808 330 P CB 0.050 31.701 31.700 -0.083 0.000 0.779 331 A N 0.021 122.625 122.820 -0.360 0.000 2.032 331 A HA -0.237 4.103 4.320 0.033 0.000 0.221 331 A C 1.915 179.365 177.584 -0.223 0.000 1.165 331 A CA 1.984 53.753 52.037 -0.448 0.000 0.645 331 A CB -1.301 17.026 19.000 -1.122 0.000 0.807 331 A HN 0.107 nan 8.150 nan 0.000 0.453 332 D N -0.105 120.193 120.400 -0.170 0.000 2.224 332 D HA 0.026 4.686 4.640 0.033 0.000 0.205 332 D C 2.101 178.363 176.300 -0.064 0.000 0.965 332 D CA 1.141 55.085 54.000 -0.093 0.000 0.852 332 D CB -0.323 40.438 40.800 -0.064 0.000 0.947 332 D HN 0.447 nan 8.370 nan 0.000 0.494 333 A N 0.591 123.390 122.820 -0.035 0.000 2.131 333 A HA -0.112 4.228 4.320 0.033 0.000 0.220 333 A C 2.172 179.673 177.584 -0.138 0.000 1.158 333 A CA 0.614 52.635 52.037 -0.028 0.000 0.665 333 A CB -0.660 18.429 19.000 0.149 0.000 0.795 333 A HN 0.250 nan 8.150 nan 0.000 0.460 334 L N -0.966 120.234 121.223 -0.039 0.000 2.456 334 L HA -0.119 4.241 4.340 0.033 0.000 0.224 334 L C 2.494 179.314 176.870 -0.084 0.000 1.148 334 L CA 1.270 56.096 54.840 -0.023 0.000 0.825 334 L CB -0.252 41.852 42.059 0.075 0.000 0.937 334 L HN 0.610 nan 8.230 nan 0.000 0.450 335 R N -2.770 117.668 120.500 -0.103 0.000 2.507 335 R HA 0.131 4.491 4.340 0.033 0.000 0.230 335 R C 1.556 177.787 176.300 -0.116 0.000 0.897 335 R CA 0.103 56.152 56.100 -0.084 0.000 1.006 335 R CB -0.002 30.278 30.300 -0.035 0.000 1.341 335 R HN 0.016 nan 8.270 nan 0.000 0.604 336 V N 1.256 121.089 119.914 -0.134 0.000 3.052 336 V HA 0.222 4.362 4.120 0.033 0.000 0.254 336 V C 0.937 176.917 176.094 -0.190 0.000 1.100 336 V CA 1.224 63.451 62.300 -0.122 0.000 1.112 336 V CB -0.034 31.743 31.823 -0.076 0.000 0.738 336 V HN 0.702 nan 8.190 nan 0.000 0.469 337 G N -0.037 108.557 108.800 -0.344 0.000 2.650 337 G HA2 -0.101 3.880 3.960 0.033 0.000 0.686 337 G HA3 -0.101 3.880 3.960 0.033 0.000 0.686 337 G C -0.732 173.911 174.900 -0.427 0.000 1.205 337 G CA -0.926 43.859 45.100 -0.525 0.000 0.781 337 G HN 0.058 nan 8.290 nan 0.000 0.648 338 F N 0.599 120.475 119.950 -0.124 0.000 2.382 338 F HA 0.469 5.016 4.527 0.033 0.000 0.331 338 F C 1.591 177.387 175.800 -0.007 0.000 1.121 338 F CA -0.306 57.647 58.000 -0.078 0.000 1.183 338 F CB 0.513 39.423 39.000 -0.151 0.000 1.207 338 F HN 0.627 nan 8.300 nan 0.000 0.555 339 Y N 1.455 121.832 120.300 0.129 0.000 2.207 339 Y HA -0.106 4.465 4.550 0.034 0.000 0.287 339 Y C 1.201 177.134 175.900 0.056 0.000 1.156 339 Y CA 1.517 59.654 58.100 0.062 0.000 1.182 339 Y CB 0.177 38.669 38.460 0.052 0.000 0.979 339 Y HN 0.522 nan 8.280 nan 0.000 0.521 340 R N 0.728 121.336 120.500 0.179 0.000 2.985 340 R HA 0.513 4.873 4.340 0.033 0.000 0.259 340 R C -1.598 174.752 176.300 0.084 0.000 1.815 340 R CA -0.081 56.056 56.100 0.062 0.000 1.278 340 R CB 0.295 30.653 30.300 0.097 0.000 1.403 340 R HN 0.170 nan 8.270 nan 0.000 0.534 341 A N 1.816 124.688 122.820 0.088 0.000 2.316 341 A HA 0.684 5.024 4.320 0.033 0.000 0.284 341 A C 0.002 177.639 177.584 0.089 0.000 1.115 341 A CA 0.032 52.122 52.037 0.088 0.000 0.812 341 A CB 1.203 20.267 19.000 0.106 0.000 1.064 341 A HN 0.829 nan 8.150 nan 0.000 0.489 342 Q N 0.097 119.972 119.800 0.125 0.000 2.962 342 Q HA 0.628 4.988 4.340 0.033 0.000 0.282 342 Q C -0.262 175.846 176.000 0.181 0.000 1.058 342 Q CA -0.277 55.593 55.803 0.113 0.000 0.854 342 Q CB 0.190 28.965 28.738 0.062 0.000 1.441 342 Q HN 0.909 nan 8.270 nan 0.000 0.497 343 E N 0.870 121.138 120.200 0.113 0.000 2.257 343 E HA 0.382 4.752 4.350 0.033 0.000 0.278 343 E C -0.848 175.796 176.600 0.074 0.000 1.049 343 E CA 0.322 56.778 56.400 0.094 0.000 0.876 343 E CB 0.511 30.239 29.700 0.046 0.000 1.035 343 E HN 0.667 nan 8.360 nan 0.000 0.419 344 T N 1.653 116.233 114.554 0.043 0.000 2.971 344 T HA 0.624 4.994 4.350 0.033 0.000 0.304 344 T C -1.296 173.350 174.700 -0.091 0.000 1.038 344 T CA -0.600 61.503 62.100 0.005 0.000 1.007 344 T CB 1.347 70.285 68.868 0.117 0.000 1.055 344 T HN 0.379 nan 8.240 nan 0.000 0.451 345 A N 4.544 127.341 122.820 -0.039 0.000 2.288 345 A HA 0.776 5.116 4.320 0.033 0.000 0.320 345 A C -1.133 176.446 177.584 -0.007 0.000 1.217 345 A CA -0.673 51.358 52.037 -0.010 0.000 0.840 345 A CB 0.530 19.531 19.000 0.002 0.000 1.179 345 A HN 0.691 nan 8.150 nan 0.000 0.504 346 L N 2.100 123.356 121.223 0.055 0.000 2.333 346 L HA 0.696 5.056 4.340 0.033 0.000 0.280 346 L C 0.536 177.580 176.870 0.291 0.000 1.004 346 L CA -0.233 54.690 54.840 0.138 0.000 0.820 346 L CB 1.299 43.464 42.059 0.176 0.000 1.247 346 L HN 0.816 nan 8.230 nan 0.000 0.416 347 A N 3.422 126.349 122.820 0.178 0.000 2.295 347 A HA 0.799 5.139 4.320 0.033 0.000 0.318 347 A C -0.912 176.687 177.584 0.026 0.000 1.134 347 A CA -0.459 51.675 52.037 0.163 0.000 0.827 347 A CB 1.068 20.073 19.000 0.008 0.000 1.136 347 A HN 0.653 nan 8.150 nan 0.000 0.493 348 L N 1.733 122.847 121.223 -0.181 0.000 2.329 348 L HA 0.792 5.152 4.340 0.033 0.000 0.279 348 L C -1.269 175.387 176.870 -0.356 0.000 1.014 348 L CA -0.624 53.871 54.840 -0.574 0.000 0.814 348 L CB 1.711 42.940 42.059 -1.383 0.000 1.257 348 L HN 0.636 nan 8.230 nan 0.000 0.424 349 L N 5.009 126.061 121.223 -0.285 0.000 2.376 349 L HA 0.616 4.976 4.340 0.033 0.000 0.275 349 L C -0.970 175.787 176.870 -0.189 0.000 0.987 349 L CA -0.228 54.508 54.840 -0.174 0.000 0.828 349 L CB 1.442 43.464 42.059 -0.062 0.000 1.249 349 L HN 0.672 nan 8.230 nan 0.000 0.409 350 R N 5.072 125.474 120.500 -0.162 0.000 2.460 350 R HA 0.541 4.901 4.340 0.033 0.000 0.303 350 R C 0.130 176.375 176.300 -0.093 0.000 0.968 350 R CA -0.581 55.441 56.100 -0.131 0.000 0.889 350 R CB 1.680 31.910 30.300 -0.116 0.000 1.123 350 R HN 0.748 nan 8.270 nan 0.000 0.455 351 L N 1.185 122.356 121.223 -0.088 0.000 2.781 351 L HA 0.115 4.475 4.340 0.033 0.000 0.245 351 L C 0.411 177.286 176.870 0.008 0.000 1.118 351 L CA -0.057 54.740 54.840 -0.071 0.000 0.918 351 L CB 0.019 41.998 42.059 -0.132 0.000 1.246 351 L HN 0.693 nan 8.230 nan 0.000 0.526 352 D N -0.303 120.089 120.400 -0.013 0.000 2.469 352 D HA 0.059 4.719 4.640 0.033 0.000 0.278 352 D C 1.317 177.621 176.300 0.007 0.000 1.231 352 D CA 0.100 54.099 54.000 -0.002 0.000 1.075 352 D CB 0.505 41.296 40.800 -0.014 0.000 1.121 352 D HN -0.072 nan 8.370 nan 0.000 0.571 353 G N -1.389 107.413 108.800 0.002 0.000 2.623 353 G HA2 0.284 4.264 3.960 0.033 0.000 0.214 353 G HA3 0.284 4.264 3.960 0.033 0.000 0.214 353 G C 0.788 175.691 174.900 0.005 0.000 1.138 353 G CA 0.601 45.703 45.100 0.005 0.000 0.794 353 G HN 0.735 nan 8.290 nan 0.000 0.535 354 A N -0.590 122.227 122.820 -0.005 0.000 2.325 354 A HA 0.498 4.838 4.320 0.033 0.000 0.260 354 A C 1.382 178.965 177.584 -0.002 0.000 1.133 354 A CA 0.089 52.122 52.037 -0.007 0.000 0.801 354 A CB 0.517 19.506 19.000 -0.019 0.000 1.092 354 A HN 0.170 nan 8.150 nan 0.000 0.504 355 Q N -0.668 119.134 119.800 0.003 0.000 2.205 355 Q HA 0.258 4.618 4.340 0.033 0.000 0.193 355 Q C 0.972 176.987 176.000 0.024 0.000 0.995 355 Q CA 1.408 57.231 55.803 0.034 0.000 0.842 355 Q CB -0.332 28.429 28.738 0.039 0.000 0.941 355 Q HN 0.907 nan 8.270 nan 0.000 0.515 356 G N -1.444 107.362 108.800 0.011 0.000 3.075 356 G HA2 0.364 4.344 3.960 0.033 0.000 0.253 356 G HA3 0.364 4.344 3.960 0.033 0.000 0.253 356 G C -1.411 173.466 174.900 -0.038 0.000 1.353 356 G CA -0.782 44.326 45.100 0.012 0.000 1.051 356 G HN 0.211 nan 8.290 nan 0.000 0.553 357 W N 1.067 122.310 121.300 -0.096 0.000 2.322 357 W HA 0.388 5.068 4.660 0.033 0.000 0.328 357 W C -1.814 174.583 176.519 -0.204 0.000 1.395 357 W CA -0.946 56.307 57.345 -0.153 0.000 1.267 357 W CB -0.210 29.159 29.460 -0.153 0.000 1.259 357 W HN 0.164 nan 8.180 nan 0.000 0.560 358 P HA -0.131 nan 4.420 nan 0.000 0.264 358 P C 0.741 177.847 177.300 -0.324 0.000 1.183 358 P CA 0.292 63.226 63.100 -0.277 0.000 0.763 358 P CB 0.855 32.190 31.700 -0.609 0.000 0.807 359 E N 2.986 123.071 120.200 -0.191 0.000 2.038 359 E HA -0.208 4.162 4.350 0.033 0.000 0.195 359 E C 1.483 177.972 176.600 -0.184 0.000 1.000 359 E CA 1.637 57.963 56.400 -0.122 0.000 0.803 359 E CB -0.786 28.902 29.700 -0.019 0.000 0.750 359 E HN 0.600 nan 8.360 nan 0.000 0.448 360 F N -0.271 119.589 119.950 -0.149 0.000 2.236 360 F HA -0.120 4.426 4.527 0.032 0.000 0.302 360 F C 1.796 177.382 175.800 -0.357 0.000 1.073 360 F CA 0.870 58.727 58.000 -0.239 0.000 1.336 360 F CB -0.579 38.233 39.000 -0.313 0.000 1.040 360 F HN -0.016 nan 8.300 nan 0.000 0.507 361 L N 0.026 120.656 121.223 -0.988 0.000 2.109 361 L HA -0.087 4.274 4.340 0.033 0.000 0.207 361 L C 2.951 179.696 176.870 -0.208 0.000 1.086 361 L CA 1.316 55.822 54.840 -0.557 0.000 0.760 361 L CB -0.597 41.172 42.059 -0.483 0.000 0.910 361 L HN 0.202 nan 8.230 nan 0.000 0.437 362 R N 0.576 120.941 120.500 -0.226 0.000 2.061 362 R HA -0.210 4.150 4.340 0.033 0.000 0.230 362 R C 2.486 178.705 176.300 -0.135 0.000 1.140 362 R CA 1.723 57.675 56.100 -0.245 0.000 0.940 362 R CB -0.193 29.960 30.300 -0.244 0.000 0.839 362 R HN 0.178 nan 8.270 nan 0.000 0.429 363 R N 0.406 120.861 120.500 -0.075 0.000 2.143 363 R HA -0.242 4.118 4.340 0.033 0.000 0.239 363 R C 2.098 178.431 176.300 0.054 0.000 1.126 363 R CA 2.369 58.468 56.100 -0.002 0.000 0.927 363 R CB -0.735 29.587 30.300 0.038 0.000 0.860 363 R HN 0.327 nan 8.270 nan 0.000 0.433 364 A N 1.029 123.914 122.820 0.109 0.000 1.903 364 A HA -0.203 4.137 4.320 0.033 0.000 0.219 364 A C 2.379 180.092 177.584 0.215 0.000 1.191 364 A CA 2.000 54.179 52.037 0.236 0.000 0.638 364 A CB -0.784 18.487 19.000 0.451 0.000 0.823 364 A HN 0.456 nan 8.150 nan 0.000 0.451 365 L N -1.156 120.166 121.223 0.165 0.000 2.056 365 L HA -0.157 4.203 4.340 0.033 0.000 0.207 365 L C 2.644 179.661 176.870 0.245 0.000 1.078 365 L CA 0.984 55.961 54.840 0.229 0.000 0.749 365 L CB -0.514 41.589 42.059 0.073 0.000 0.901 365 L HN 0.387 nan 8.230 nan 0.000 0.433 366 L N -0.557 120.717 121.223 0.085 0.000 1.994 366 L HA -0.226 4.134 4.340 0.033 0.000 0.208 366 L C 2.857 179.786 176.870 0.097 0.000 1.071 366 L CA 1.186 56.065 54.840 0.065 0.000 0.745 366 L CB -0.508 41.538 42.059 -0.021 0.000 0.892 366 L HN 0.242 nan 8.230 nan 0.000 0.431 367 R N 0.336 120.880 120.500 0.073 0.000 2.143 367 R HA -0.298 4.062 4.340 0.033 0.000 0.239 367 R C 2.214 178.521 176.300 0.010 0.000 1.126 367 R CA 2.253 58.381 56.100 0.046 0.000 0.927 367 R CB -0.492 29.846 30.300 0.064 0.000 0.860 367 R HN 0.377 nan 8.270 nan 0.000 0.433 368 A N -0.318 122.511 122.820 0.017 0.000 1.933 368 A HA -0.148 4.192 4.320 0.033 0.000 0.218 368 A C 2.044 179.445 177.584 -0.304 0.000 1.175 368 A CA 1.357 53.281 52.037 -0.188 0.000 0.628 368 A CB -0.627 18.306 19.000 -0.112 0.000 0.814 368 A HN 0.478 nan 8.150 nan 0.000 0.444 369 F N -0.013 119.897 119.950 -0.066 0.000 2.367 369 F HA 0.105 4.652 4.527 0.033 0.000 0.298 369 F C 2.472 178.246 175.800 -0.044 0.000 1.094 369 F CA 0.739 58.736 58.000 -0.004 0.000 1.409 369 F CB -0.346 38.692 39.000 0.063 0.000 1.064 369 F HN 0.288 nan 8.300 nan 0.000 0.528 370 G N -0.189 108.671 108.800 0.100 0.000 2.453 370 G HA2 -0.248 3.732 3.960 0.033 0.000 0.215 370 G HA3 -0.248 3.732 3.960 0.033 0.000 0.215 370 G C 1.964 176.847 174.900 -0.029 0.000 1.201 370 G CA 0.888 46.008 45.100 0.035 0.000 0.784 370 G HN 0.403 nan 8.290 nan 0.000 0.545 371 A N 0.983 123.753 122.820 -0.083 0.000 1.896 371 A HA -0.169 4.172 4.320 0.033 0.000 0.220 371 A C 2.627 180.127 177.584 -0.141 0.000 1.206 371 A CA 2.866 54.829 52.037 -0.124 0.000 0.647 371 A CB -0.901 17.990 19.000 -0.181 0.000 0.828 371 A HN 0.440 nan 8.150 nan 0.000 0.455 372 S N -1.626 113.949 115.700 -0.209 0.000 2.515 372 S HA 0.329 4.819 4.470 0.033 0.000 0.231 372 S C 1.616 176.178 174.600 -0.064 0.000 0.987 372 S CA 1.314 59.405 58.200 -0.182 0.000 0.936 372 S CB -0.166 62.860 63.200 -0.290 0.000 0.766 372 S HN 1.731 nan 8.310 nan 0.000 0.528 373 G N 1.688 110.475 108.800 -0.021 0.000 4.686 373 G HA2 -0.192 3.789 3.960 0.033 0.000 0.235 373 G HA3 -0.192 3.789 3.960 0.033 0.000 0.235 373 G C 0.375 175.316 174.900 0.069 0.000 1.589 373 G CA -0.155 44.954 45.100 0.015 0.000 1.172 373 G HN 0.983 nan 8.290 nan 0.000 0.660 374 A N 0.389 123.268 122.820 0.099 0.000 2.504 374 A HA 0.592 4.932 4.320 0.033 0.000 0.242 374 A C 0.924 178.636 177.584 0.213 0.000 1.100 374 A CA 1.662 53.782 52.037 0.138 0.000 0.786 374 A CB 0.163 19.248 19.000 0.142 0.000 1.050 374 A HN 1.661 nan 8.150 nan 0.000 0.512 375 S N -1.390 114.388 115.700 0.130 0.000 2.616 375 S HA 0.553 5.043 4.470 0.033 0.000 0.277 375 S C -0.738 173.827 174.600 -0.059 0.000 1.234 375 S CA -0.427 57.803 58.200 0.050 0.000 1.028 375 S CB 0.683 63.887 63.200 0.007 0.000 0.988 375 S HN 0.892 nan 8.310 nan 0.000 0.522 376 L N 4.419 125.522 121.223 -0.199 0.000 2.349 376 L HA 0.606 4.966 4.340 0.033 0.000 0.278 376 L C -0.765 175.937 176.870 -0.280 0.000 0.996 376 L CA -0.178 54.400 54.840 -0.437 0.000 0.825 376 L CB 1.325 42.919 42.059 -0.776 0.000 1.243 376 L HN 0.610 nan 8.230 nan 0.000 0.412 377 R N 5.534 125.910 120.500 -0.206 0.000 2.346 377 R HA 0.620 4.980 4.340 0.033 0.000 0.311 377 R C -1.147 175.091 176.300 -0.104 0.000 0.983 377 R CA -0.654 55.363 56.100 -0.138 0.000 0.880 377 R CB 1.461 31.752 30.300 -0.016 0.000 1.100 377 R HN 0.609 nan 8.270 nan 0.000 0.453 378 L N 5.086 126.192 121.223 -0.195 0.000 2.356 378 L HA 0.361 4.721 4.340 0.033 0.000 0.264 378 L C 0.164 177.056 176.870 0.036 0.000 1.029 378 L CA -0.446 54.293 54.840 -0.169 0.000 0.897 378 L CB 0.391 42.098 42.059 -0.588 0.000 1.256 378 L HN 0.596 nan 8.230 nan 0.000 0.444 379 H N 1.281 120.425 119.070 0.124 0.000 2.505 379 H HA 0.446 5.022 4.556 0.033 0.000 0.358 379 H C -0.408 175.040 175.328 0.200 0.000 1.304 379 H CA -0.434 55.689 56.048 0.126 0.000 1.393 379 H CB 1.794 31.586 29.762 0.050 0.000 1.591 379 H HN 0.300 nan 8.280 nan 0.000 0.595 380 T N 1.581 116.231 114.554 0.160 0.000 2.912 380 T HA 0.280 4.650 4.350 0.033 0.000 0.299 380 T C -0.128 174.447 174.700 -0.210 0.000 1.052 380 T CA -0.766 61.273 62.100 -0.101 0.000 0.996 380 T CB 1.249 69.956 68.868 -0.268 0.000 1.070 380 T HN 0.251 nan 8.240 nan 0.000 0.465 381 L N 4.023 125.107 121.223 -0.232 0.000 2.259 381 L HA 0.325 4.685 4.340 0.033 0.000 0.288 381 L C 0.051 176.823 176.870 -0.163 0.000 1.051 381 L CA -0.656 54.098 54.840 -0.142 0.000 0.824 381 L CB 0.230 42.257 42.059 -0.055 0.000 1.206 381 L HN 0.609 nan 8.230 nan 0.000 0.429 382 H N 4.284 123.388 119.070 0.057 0.000 2.882 382 H HA 0.624 5.200 4.556 0.034 0.000 0.258 382 H C -0.137 175.252 175.328 0.102 0.000 1.579 382 H CA -0.027 56.058 56.048 0.063 0.000 1.340 382 H CB 0.570 30.358 29.762 0.044 0.000 1.645 382 H HN 0.715 nan 8.280 nan 0.000 0.541 383 A N 2.182 125.150 122.820 0.247 0.000 2.549 383 A HA 0.385 4.725 4.320 0.033 0.000 0.291 383 A C -1.729 176.029 177.584 0.291 0.000 1.034 383 A CA -0.724 51.501 52.037 0.313 0.000 0.655 383 A CB 1.944 21.186 19.000 0.403 0.000 1.299 383 A HN 0.585 nan 8.150 nan 0.000 0.427 384 H N 0.434 119.536 119.070 0.053 0.000 2.806 384 H HA 0.461 5.037 4.556 0.034 0.000 0.367 384 H C -2.414 172.484 175.328 -0.717 0.000 1.136 384 H CA -1.548 54.307 56.048 -0.321 0.000 1.178 384 H CB 2.706 32.370 29.762 -0.163 0.000 1.718 384 H HN 0.266 nan 8.280 nan 0.000 0.540 385 P HA -0.107 nan 4.420 nan 0.000 0.217 385 P C 1.388 178.585 177.300 -0.172 0.000 1.148 385 P CA 2.319 64.833 63.100 -0.976 0.000 0.828 385 P CB -0.055 31.207 31.700 -0.730 0.000 0.783 386 S N -0.253 115.547 115.700 0.166 0.000 2.493 386 S HA -0.239 4.251 4.470 0.033 0.000 0.243 386 S C 1.747 176.375 174.600 0.046 0.000 0.991 386 S CA 1.168 59.423 58.200 0.091 0.000 0.957 386 S CB -1.120 62.078 63.200 -0.004 0.000 0.756 386 S HN 0.343 nan 8.310 nan 0.000 0.521 387 Q N 0.248 120.093 119.800 0.076 0.000 2.444 387 Q HA 0.331 4.692 4.340 0.033 0.000 0.206 387 Q C 1.565 177.625 176.000 0.101 0.000 0.948 387 Q CA -0.014 55.843 55.803 0.090 0.000 0.946 387 Q CB -0.208 28.611 28.738 0.135 0.000 1.027 387 Q HN 0.716 nan 8.270 nan 0.000 0.513 388 G N 1.554 110.414 108.800 0.101 0.000 2.596 388 G HA2 -0.392 3.588 3.960 0.033 0.000 0.295 388 G HA3 -0.392 3.588 3.960 0.033 0.000 0.295 388 G C 0.630 175.610 174.900 0.134 0.000 1.240 388 G CA 0.276 45.437 45.100 0.101 0.000 0.985 388 G HN 0.310 nan 8.290 nan 0.000 0.555 389 L N 0.795 122.072 121.223 0.090 0.000 2.137 389 L HA -0.156 4.204 4.340 0.033 0.000 0.213 389 L C 3.525 180.439 176.870 0.074 0.000 1.085 389 L CA 2.209 57.093 54.840 0.073 0.000 0.760 389 L CB -0.912 41.174 42.059 0.045 0.000 0.893 389 L HN 0.827 nan 8.230 nan 0.000 0.434 390 A N 0.082 122.955 122.820 0.089 0.000 1.892 390 A HA -0.307 4.033 4.320 0.033 0.000 0.218 390 A C 2.150 179.803 177.584 0.114 0.000 1.188 390 A CA 1.955 54.044 52.037 0.087 0.000 0.631 390 A CB -0.907 18.151 19.000 0.095 0.000 0.822 390 A HN 0.423 nan 8.150 nan 0.000 0.447 391 F N 0.480 120.441 119.950 0.018 0.000 2.126 391 F HA -0.181 4.365 4.527 0.033 0.000 0.299 391 F C 2.388 178.185 175.800 -0.004 0.000 1.096 391 F CA 2.042 60.048 58.000 0.010 0.000 1.255 391 F CB -0.326 38.679 39.000 0.008 0.000 0.997 391 F HN 0.152 nan 8.300 nan 0.000 0.479 392 R N 0.256 120.695 120.500 -0.101 0.000 2.105 392 R HA -0.225 4.135 4.340 0.033 0.000 0.239 392 R C 2.213 178.401 176.300 -0.187 0.000 1.135 392 R CA 1.816 57.800 56.100 -0.192 0.000 0.967 392 R CB -0.470 29.803 30.300 -0.044 0.000 0.861 392 R HN 0.374 nan 8.270 nan 0.000 0.442 393 E N 0.237 120.375 120.200 -0.103 0.000 2.110 393 E HA -0.117 4.253 4.350 0.033 0.000 0.193 393 E C 1.631 178.168 176.600 -0.105 0.000 0.988 393 E CA 1.573 57.927 56.400 -0.076 0.000 0.804 393 E CB -0.155 29.528 29.700 -0.027 0.000 0.745 393 E HN 0.363 nan 8.360 nan 0.000 0.458 394 A N 0.583 123.318 122.820 -0.141 0.000 1.933 394 A HA -0.117 4.223 4.320 0.033 0.000 0.218 394 A C 2.272 179.727 177.584 -0.216 0.000 1.175 394 A CA 1.386 53.337 52.037 -0.144 0.000 0.628 394 A CB -0.709 18.219 19.000 -0.120 0.000 0.814 394 A HN 0.349 nan 8.150 nan 0.000 0.444 395 L N -1.117 119.893 121.223 -0.355 0.000 2.017 395 L HA -0.196 4.164 4.340 0.033 0.000 0.208 395 L C 2.804 179.562 176.870 -0.188 0.000 1.073 395 L CA 1.840 56.490 54.840 -0.317 0.000 0.745 395 L CB -0.551 41.274 42.059 -0.390 0.000 0.894 395 L HN 0.448 nan 8.230 nan 0.000 0.432 396 R N 0.684 121.093 120.500 -0.152 0.000 2.127 396 R HA -0.182 4.178 4.340 0.033 0.000 0.238 396 R C 2.225 178.476 176.300 -0.082 0.000 1.134 396 R CA 1.471 57.512 56.100 -0.100 0.000 0.975 396 R CB 0.045 30.301 30.300 -0.074 0.000 0.865 396 R HN 0.345 nan 8.270 nan 0.000 0.447 397 K N -0.459 119.893 120.400 -0.080 0.000 2.076 397 K HA 0.024 4.364 4.320 0.033 0.000 0.204 397 K C 2.092 178.649 176.600 -0.071 0.000 1.051 397 K CA 0.950 57.203 56.287 -0.056 0.000 0.949 397 K CB -0.041 32.440 32.500 -0.033 0.000 0.726 397 K HN 0.151 nan 8.250 nan 0.000 0.443 398 A N 2.029 124.789 122.820 -0.101 0.000 1.883 398 A HA -0.271 4.069 4.320 0.033 0.000 0.217 398 A C 2.071 179.551 177.584 -0.173 0.000 1.186 398 A CA 2.042 53.990 52.037 -0.148 0.000 0.624 398 A CB -0.431 18.477 19.000 -0.153 0.000 0.822 398 A HN 0.147 nan 8.150 nan 0.000 0.444 399 K N -0.033 120.288 120.400 -0.132 0.000 2.063 399 K HA -0.205 4.135 4.320 0.033 0.000 0.208 399 K C 1.930 178.476 176.600 -0.091 0.000 1.048 399 K CA 1.952 58.173 56.287 -0.109 0.000 0.928 399 K CB -0.236 32.213 32.500 -0.085 0.000 0.713 399 K HN 0.496 nan 8.250 nan 0.000 0.442 400 E N 0.795 120.950 120.200 -0.075 0.000 2.153 400 E HA -0.162 4.208 4.350 0.033 0.000 0.194 400 E C 0.633 177.207 176.600 -0.044 0.000 0.988 400 E CA 1.445 57.815 56.400 -0.049 0.000 0.811 400 E CB 0.053 29.731 29.700 -0.037 0.000 0.746 400 E HN 0.426 nan 8.360 nan 0.000 0.466 401 E N -1.293 118.868 120.200 -0.066 0.000 2.368 401 E HA 0.178 4.548 4.350 0.033 0.000 0.188 401 E C 0.540 177.088 176.600 -0.088 0.000 1.061 401 E CA 0.293 56.673 56.400 -0.035 0.000 0.933 401 E CB 0.264 29.983 29.700 0.031 0.000 1.091 401 E HN 0.432 nan 8.360 nan 0.000 0.458 402 G N 0.590 109.330 108.800 -0.099 0.000 2.159 402 G HA2 -0.290 3.690 3.960 0.033 0.000 0.256 402 G HA3 -0.290 3.690 3.960 0.033 0.000 0.256 402 G C 0.512 175.328 174.900 -0.139 0.000 0.977 402 G CA 0.129 45.178 45.100 -0.086 0.000 0.652 402 G HN 0.212 nan 8.290 nan 0.000 0.531 403 V N 0.218 119.984 119.914 -0.246 0.000 2.901 403 V HA 0.212 4.352 4.120 0.033 0.000 0.307 403 V C 1.368 177.394 176.094 -0.114 0.000 1.084 403 V CA 1.660 63.820 62.300 -0.232 0.000 1.184 403 V CB 1.482 33.133 31.823 -0.288 0.000 0.941 403 V HN 0.564 nan 8.190 nan 0.000 0.493 404 Q N 2.072 121.831 119.800 -0.068 0.000 2.471 404 Q HA 0.517 4.877 4.340 0.033 0.000 0.259 404 Q C 0.194 176.185 176.000 -0.015 0.000 0.850 404 Q CA 0.607 56.390 55.803 -0.032 0.000 0.981 404 Q CB 1.365 30.095 28.738 -0.013 0.000 1.180 404 Q HN 0.887 nan 8.270 nan 0.000 0.571 405 A N 0.414 123.231 122.820 -0.006 0.000 2.587 405 A HA 0.699 5.039 4.320 0.033 0.000 0.293 405 A C -1.713 175.879 177.584 0.013 0.000 1.087 405 A CA -0.574 51.467 52.037 0.007 0.000 0.692 405 A CB 1.942 20.956 19.000 0.024 0.000 1.291 405 A HN 0.069 nan 8.150 nan 0.000 0.407 406 V N 1.071 120.986 119.914 0.001 0.000 2.735 406 V HA 0.806 4.946 4.120 0.033 0.000 0.310 406 V C -1.436 174.645 176.094 -0.023 0.000 1.061 406 V CA -0.782 61.511 62.300 -0.012 0.000 0.913 406 V CB 1.503 33.300 31.823 -0.044 0.000 1.005 406 V HN 1.297 nan 8.190 nan 0.000 0.428 407 L N 6.648 127.835 121.223 -0.060 0.000 2.276 407 L HA 0.677 5.037 4.340 0.033 0.000 0.286 407 L C -0.478 176.296 176.870 -0.160 0.000 1.061 407 L CA 0.178 54.963 54.840 -0.091 0.000 0.807 407 L CB 1.504 43.492 42.059 -0.118 0.000 1.177 407 L HN 0.615 nan 8.230 nan 0.000 0.429 408 V N 7.093 126.942 119.914 -0.109 0.000 2.334 408 V HA 0.356 4.496 4.120 0.033 0.000 0.281 408 V C 0.103 176.129 176.094 -0.113 0.000 1.016 408 V CA -0.551 61.677 62.300 -0.120 0.000 0.832 408 V CB 1.216 32.985 31.823 -0.090 0.000 0.999 408 V HN 0.592 nan 8.190 nan 0.000 0.439 409 L N 4.885 126.022 121.223 -0.143 0.000 2.276 409 L HA 0.716 5.076 4.340 0.033 0.000 0.286 409 L C 0.251 177.067 176.870 -0.090 0.000 1.061 409 L CA 0.435 55.209 54.840 -0.110 0.000 0.807 409 L CB 1.577 43.553 42.059 -0.139 0.000 1.177 409 L HN 0.776 nan 8.230 nan 0.000 0.429 410 T N 3.844 118.361 114.554 -0.063 0.000 2.775 410 T HA 0.439 4.809 4.350 0.033 0.000 0.320 410 T C -2.841 171.836 174.700 -0.039 0.000 1.597 410 T CA -1.051 61.014 62.100 -0.058 0.000 1.022 410 T CB 2.074 70.895 68.868 -0.078 0.000 1.485 410 T HN 0.128 nan 8.240 nan 0.000 0.494 411 P HA 0.406 nan 4.420 nan 0.000 0.275 411 P C -2.705 174.573 177.300 -0.037 0.000 1.266 411 P CA -1.355 61.731 63.100 -0.024 0.000 0.793 411 P CB -0.464 31.226 31.700 -0.017 0.000 1.074 412 P HA 0.026 nan 4.420 nan 0.000 0.260 412 P C -0.306 176.957 177.300 -0.061 0.000 1.185 412 P CA 1.166 64.235 63.100 -0.052 0.000 0.763 412 P CB -0.124 31.553 31.700 -0.037 0.000 0.776 413 M N 2.357 121.902 119.600 -0.091 0.000 2.291 413 M HA 0.517 5.017 4.480 0.033 0.000 0.324 413 M C 0.648 176.888 176.300 -0.101 0.000 1.148 413 M CA -0.665 54.581 55.300 -0.090 0.000 1.104 413 M CB 1.051 33.586 32.600 -0.108 0.000 1.483 413 M HN 0.229 nan 8.290 nan 0.000 0.467 414 A N 0.516 123.306 122.820 -0.050 0.000 2.302 414 A HA 0.263 4.603 4.320 0.033 0.000 0.285 414 A C 0.143 177.737 177.584 0.016 0.000 1.105 414 A CA -0.533 51.504 52.037 -0.000 0.000 0.816 414 A CB 0.119 19.149 19.000 0.049 0.000 1.067 414 A HN 1.068 nan 8.150 nan 0.000 0.489 415 W N -0.069 121.230 121.300 -0.001 0.000 2.290 415 W HA -0.246 4.422 4.660 0.013 0.000 0.323 415 W C 2.159 178.675 176.519 -0.004 0.000 1.260 415 W CA 2.220 59.565 57.345 -0.001 0.000 1.266 415 W CB 0.086 29.548 29.460 0.003 0.000 1.149 415 W HN 0.927 nan 8.180 nan 0.000 0.482 416 E N -0.039 120.305 120.200 0.241 0.000 2.085 416 E HA -0.235 4.135 4.350 0.033 0.000 0.194 416 E C 1.633 178.279 176.600 0.078 0.000 0.994 416 E CA 1.733 58.218 56.400 0.142 0.000 0.801 416 E CB -0.208 29.552 29.700 0.100 0.000 0.743 416 E HN 0.271 nan 8.360 nan 0.000 0.453 417 D N -0.073 120.352 120.400 0.042 0.000 2.137 417 D HA -0.144 4.516 4.640 0.033 0.000 0.202 417 D C 2.047 178.329 176.300 -0.030 0.000 0.970 417 D CA 0.375 54.374 54.000 -0.002 0.000 0.837 417 D CB -0.325 40.464 40.800 -0.018 0.000 0.981 417 D HN 0.091 nan 8.370 nan 0.000 0.475 418 R N 1.357 121.827 120.500 -0.049 0.000 2.097 418 R HA -0.154 4.206 4.340 0.033 0.000 0.236 418 R C 1.615 177.886 176.300 -0.049 0.000 1.135 418 R CA 1.359 57.402 56.100 -0.094 0.000 0.934 418 R CB -0.488 29.687 30.300 -0.207 0.000 0.846 418 R HN 0.109 nan 8.270 nan 0.000 0.431 419 N N 0.791 119.502 118.700 0.018 0.000 2.149 419 N HA -0.191 4.569 4.740 0.033 0.000 0.188 419 N C 1.905 177.404 175.510 -0.019 0.000 1.019 419 N CA 1.196 54.270 53.050 0.041 0.000 0.857 419 N CB -0.492 38.076 38.487 0.134 0.000 0.997 419 N HN 0.331 nan 8.380 nan 0.000 0.426 420 R N 0.426 120.920 120.500 -0.010 0.000 2.073 420 R HA -0.086 4.274 4.340 0.033 0.000 0.234 420 R C 2.077 178.345 176.300 -0.053 0.000 1.134 420 R CA 0.931 57.015 56.100 -0.027 0.000 0.952 420 R CB -0.441 29.857 30.300 -0.003 0.000 0.850 420 R HN 0.103 nan 8.270 nan 0.000 0.433 421 L N 1.711 122.903 121.223 -0.051 0.000 1.971 421 L HA -0.240 4.120 4.340 0.033 0.000 0.215 421 L C 2.003 178.840 176.870 -0.055 0.000 1.072 421 L CA 1.971 56.781 54.840 -0.050 0.000 0.758 421 L CB -0.570 41.445 42.059 -0.073 0.000 0.889 421 L HN 0.072 nan 8.230 nan 0.000 0.433 422 K N -0.098 120.258 120.400 -0.073 0.000 2.034 422 K HA -0.176 4.164 4.320 0.033 0.000 0.214 422 K C 2.099 178.606 176.600 -0.155 0.000 1.051 422 K CA 1.811 58.047 56.287 -0.084 0.000 0.931 422 K CB -1.144 31.320 32.500 -0.060 0.000 0.715 422 K HN 0.515 nan 8.250 nan 0.000 0.446 423 A N 1.406 124.074 122.820 -0.253 0.000 1.972 423 A HA -0.139 4.201 4.320 0.033 0.000 0.219 423 A C 2.155 179.538 177.584 -0.336 0.000 1.169 423 A CA 1.088 52.796 52.037 -0.548 0.000 0.635 423 A CB -0.468 17.944 19.000 -0.979 0.000 0.810 423 A HN 0.210 nan 8.150 nan 0.000 0.446 424 L N 0.315 121.446 121.223 -0.154 0.000 1.955 424 L HA -0.162 4.198 4.340 0.033 0.000 0.213 424 L C 2.350 179.204 176.870 -0.026 0.000 1.072 424 L CA 1.939 56.763 54.840 -0.026 0.000 0.755 424 L CB -1.039 41.056 42.059 0.061 0.000 0.888 424 L HN 0.440 nan 8.230 nan 0.000 0.432 425 L N -1.236 119.970 121.223 -0.029 0.000 2.042 425 L HA -0.255 4.105 4.340 0.033 0.000 0.210 425 L C 2.516 179.340 176.870 -0.076 0.000 1.076 425 L CA 0.883 55.691 54.840 -0.054 0.000 0.749 425 L CB -0.868 41.168 42.059 -0.039 0.000 0.893 425 L HN 0.296 nan 8.230 nan 0.000 0.432 426 L N -0.296 120.864 121.223 -0.105 0.000 2.265 426 L HA -0.139 4.221 4.340 0.033 0.000 0.215 426 L C 2.609 179.445 176.870 -0.056 0.000 1.117 426 L CA 1.470 56.235 54.840 -0.125 0.000 0.782 426 L CB -0.873 41.051 42.059 -0.225 0.000 0.914 426 L HN 0.152 nan 8.230 nan 0.000 0.441 427 R N -0.559 119.935 120.500 -0.011 0.000 2.235 427 R HA -0.051 4.309 4.340 0.033 0.000 0.213 427 R C 0.906 177.202 176.300 -0.006 0.000 1.059 427 R CA 0.509 56.631 56.100 0.037 0.000 0.997 427 R CB 0.078 30.435 30.300 0.095 0.000 0.884 427 R HN 0.316 nan 8.270 nan 0.000 0.462 428 E N -0.586 119.592 120.200 -0.037 0.000 2.501 428 E HA 0.102 4.472 4.350 0.033 0.000 0.200 428 E C 0.582 177.152 176.600 -0.051 0.000 1.016 428 E CA 0.050 56.418 56.400 -0.053 0.000 0.921 428 E CB 1.163 30.811 29.700 -0.087 0.000 1.034 428 E HN 0.435 nan 8.360 nan 0.000 0.468 429 G N 1.491 110.265 108.800 -0.043 0.000 2.143 429 G HA2 -0.279 3.701 3.960 0.033 0.000 0.248 429 G HA3 -0.279 3.701 3.960 0.033 0.000 0.248 429 G C 0.201 175.080 174.900 -0.035 0.000 0.991 429 G CA 0.191 45.273 45.100 -0.030 0.000 0.689 429 G HN 0.238 nan 8.290 nan 0.000 0.522 430 L N 1.026 122.216 121.223 -0.054 0.000 2.283 430 L HA 0.377 4.737 4.340 0.033 0.000 0.281 430 L C -1.891 174.954 176.870 -0.042 0.000 1.033 430 L CA -2.199 52.612 54.840 -0.048 0.000 0.848 430 L CB 1.419 43.438 42.059 -0.067 0.000 1.226 430 L HN -0.117 nan 8.230 nan 0.000 0.429 431 P HA 0.136 nan 4.420 nan 0.000 0.271 431 P C -0.613 176.689 177.300 0.003 0.000 1.244 431 P CA -0.227 62.883 63.100 0.016 0.000 0.793 431 P CB 0.890 32.636 31.700 0.077 0.000 0.984 432 S N -0.866 114.840 115.700 0.010 0.000 2.547 432 S HA 0.591 5.081 4.470 0.033 0.000 0.270 432 S C -1.579 173.021 174.600 -0.001 0.000 1.150 432 S CA -0.728 57.470 58.200 -0.004 0.000 0.850 432 S CB 1.655 64.844 63.200 -0.019 0.000 1.118 432 S HN 0.326 nan 8.310 nan 0.000 0.461 433 Q N 1.571 121.370 119.800 -0.003 0.000 2.330 433 Q HA 0.680 5.040 4.340 0.033 0.000 0.269 433 Q C -1.648 174.347 176.000 -0.009 0.000 1.022 433 Q CA -0.480 55.326 55.803 0.004 0.000 0.796 433 Q CB 1.286 30.041 28.738 0.028 0.000 1.271 433 Q HN 0.810 nan 8.270 nan 0.000 0.450 434 I N 4.080 124.640 120.570 -0.017 0.000 2.396 434 I HA 0.345 4.535 4.170 0.033 0.000 0.292 434 I C -0.861 175.253 176.117 -0.005 0.000 0.999 434 I CA -0.968 60.313 61.300 -0.032 0.000 1.310 434 I CB 1.270 39.233 38.000 -0.061 0.000 1.404 434 I HN 0.549 nan 8.210 nan 0.000 0.496 435 L N 7.581 128.802 121.223 -0.004 0.000 2.415 435 L HA 0.467 4.827 4.340 0.033 0.000 0.268 435 L C -0.649 176.231 176.870 0.017 0.000 0.984 435 L CA -0.478 54.383 54.840 0.035 0.000 0.853 435 L CB 0.795 42.893 42.059 0.065 0.000 1.215 435 L HN 0.419 nan 8.230 nan 0.000 0.419 436 N N 3.115 121.827 118.700 0.020 0.000 2.458 436 N HA 0.057 4.817 4.740 0.033 0.000 0.258 436 N C 0.980 176.506 175.510 0.027 0.000 1.219 436 N CA -0.032 53.023 53.050 0.008 0.000 0.902 436 N CB 1.811 40.300 38.487 0.003 0.000 1.076 436 N HN 0.506 nan 8.380 nan 0.000 0.455 437 V N 3.256 123.177 119.914 0.011 0.000 2.535 437 V HA 0.002 4.142 4.120 0.033 0.000 0.246 437 V C -1.642 174.471 176.094 0.032 0.000 1.045 437 V CA 0.656 62.965 62.300 0.015 0.000 1.058 437 V CB -0.665 31.154 31.823 -0.007 0.000 0.689 437 V HN 0.645 nan 8.190 nan 0.000 0.461 438 P HA 0.138 nan 4.420 nan 0.000 0.257 438 P C -0.923 176.413 177.300 0.060 0.000 1.269 438 P CA 0.696 63.819 63.100 0.037 0.000 1.122 438 P CB -0.053 31.664 31.700 0.027 0.000 1.285 439 L N 2.542 123.814 121.223 0.082 0.000 2.457 439 L HA 0.663 5.023 4.340 0.033 0.000 0.266 439 L C -0.033 176.919 176.870 0.138 0.000 0.979 439 L CA -0.659 54.259 54.840 0.130 0.000 0.857 439 L CB 1.288 43.450 42.059 0.172 0.000 1.213 439 L HN 0.106 nan 8.230 nan 0.000 0.418 440 R N 2.557 123.114 120.500 0.095 0.000 2.404 440 R HA 0.378 4.738 4.340 0.033 0.000 0.291 440 R C 0.816 177.068 176.300 -0.080 0.000 1.025 440 R CA 0.222 56.338 56.100 0.026 0.000 0.991 440 R CB 0.435 30.743 30.300 0.013 0.000 1.053 440 R HN 0.889 nan 8.270 nan 0.000 0.479 441 E N 1.180 121.162 120.200 -0.363 0.000 2.147 441 E HA -0.252 4.118 4.350 0.033 0.000 0.199 441 E C 1.367 177.866 176.600 -0.167 0.000 1.005 441 E CA 1.951 57.838 56.400 -0.854 0.000 0.810 441 E CB 0.246 29.369 29.700 -0.962 0.000 0.736 441 E HN 0.812 nan 8.360 nan 0.000 0.460 442 E N 0.820 120.970 120.200 -0.083 0.000 2.515 442 E HA -0.166 4.204 4.350 0.033 0.000 0.201 442 E C -0.059 176.539 176.600 -0.003 0.000 1.071 442 E CA 0.650 57.036 56.400 -0.024 0.000 0.880 442 E CB -0.191 29.491 29.700 -0.030 0.000 0.828 442 E HN 0.393 nan 8.360 nan 0.000 0.540 443 E N 0.602 120.842 120.200 0.067 0.000 2.110 443 E HA 0.137 4.508 4.350 0.033 0.000 0.300 443 E C 1.416 177.963 176.600 -0.088 0.000 1.278 443 E CA 0.050 56.480 56.400 0.051 0.000 1.365 443 E CB 0.210 29.991 29.700 0.136 0.000 1.283 443 E HN 0.358 nan 8.360 nan 0.000 0.490 444 R N 0.549 120.856 120.500 -0.322 0.000 2.092 444 R HA -0.161 4.199 4.340 0.033 0.000 0.231 444 R C 1.503 177.285 176.300 -0.864 0.000 1.119 444 R CA 1.777 57.384 56.100 -0.821 0.000 0.970 444 R CB -1.130 28.823 30.300 -0.579 0.000 0.864 444 R HN 0.485 nan 8.270 nan 0.000 0.440 445 H N -0.419 118.324 119.070 -0.546 0.000 2.353 445 H HA 0.038 4.616 4.556 0.038 0.000 0.300 445 H C 2.545 177.657 175.328 -0.360 0.000 1.090 445 H CA 1.446 57.088 56.048 -0.677 0.000 1.327 445 H CB 0.196 29.527 29.762 -0.717 0.000 1.383 445 H HN 0.249 nan 8.280 nan 0.000 0.508 446 R N 0.724 121.164 120.500 -0.100 0.000 2.088 446 R HA -0.153 4.207 4.340 0.033 0.000 0.232 446 R C 2.352 178.720 176.300 0.114 0.000 1.136 446 R CA 1.853 57.973 56.100 0.034 0.000 0.926 446 R CB -0.756 29.608 30.300 0.107 0.000 0.837 446 R HN 0.634 nan 8.270 nan 0.000 0.429 447 W N 1.178 122.563 121.300 0.143 0.000 2.519 447 W HA -0.024 4.657 4.660 0.034 0.000 0.266 447 W C 1.052 177.696 176.519 0.208 0.000 1.253 447 W CA 0.297 57.757 57.345 0.192 0.000 1.274 447 W CB -0.551 29.083 29.460 0.289 0.000 1.114 447 W HN 0.161 nan 8.180 nan 0.000 0.596 448 E N 1.075 121.212 120.200 -0.105 0.000 2.072 448 E HA -0.184 4.186 4.350 0.033 0.000 0.191 448 E C 1.974 178.684 176.600 0.183 0.000 0.985 448 E CA 1.118 57.527 56.400 0.015 0.000 0.801 448 E CB -0.268 29.374 29.700 -0.097 0.000 0.750 448 E HN 0.131 nan 8.360 nan 0.000 0.452 449 N N 0.859 119.694 118.700 0.225 0.000 2.166 449 N HA -0.122 4.638 4.740 0.033 0.000 0.186 449 N C 1.682 177.287 175.510 0.158 0.000 1.019 449 N CA 1.240 54.412 53.050 0.204 0.000 0.856 449 N CB -0.280 38.335 38.487 0.213 0.000 0.993 449 N HN 0.128 nan 8.380 nan 0.000 0.426 450 A N 0.616 123.547 122.820 0.185 0.000 1.902 450 A HA -0.094 4.246 4.320 0.033 0.000 0.217 450 A C 2.094 179.786 177.584 0.180 0.000 1.181 450 A CA 0.962 53.103 52.037 0.175 0.000 0.623 450 A CB -0.534 18.595 19.000 0.213 0.000 0.818 450 A HN 0.146 nan 8.150 nan 0.000 0.443 451 L N -0.395 120.975 121.223 0.244 0.000 2.056 451 L HA -0.078 4.282 4.340 0.033 0.000 0.207 451 L C 2.502 179.459 176.870 0.146 0.000 1.078 451 L CA 1.364 56.352 54.840 0.246 0.000 0.749 451 L CB -1.077 41.193 42.059 0.351 0.000 0.901 451 L HN 0.379 nan 8.230 nan 0.000 0.433 452 L N -1.182 120.105 121.223 0.107 0.000 2.042 452 L HA -0.173 4.187 4.340 0.033 0.000 0.210 452 L C 2.485 179.336 176.870 -0.031 0.000 1.076 452 L CA 1.408 56.258 54.840 0.016 0.000 0.749 452 L CB -1.161 40.900 42.059 0.002 0.000 0.893 452 L HN 0.399 nan 8.230 nan 0.000 0.432 453 G N -0.140 108.664 108.800 0.006 0.000 2.446 453 G HA2 -0.268 3.712 3.960 0.033 0.000 0.217 453 G HA3 -0.268 3.712 3.960 0.033 0.000 0.217 453 G C 1.620 176.509 174.900 -0.019 0.000 1.168 453 G CA 0.587 45.675 45.100 -0.020 0.000 0.771 453 G HN 0.244 nan 8.290 nan 0.000 0.551 454 L N -0.046 121.197 121.223 0.033 0.000 2.012 454 L HA -0.059 4.301 4.340 0.033 0.000 0.210 454 L C 2.948 179.827 176.870 0.015 0.000 1.073 454 L CA 1.406 56.275 54.840 0.049 0.000 0.748 454 L CB -0.277 41.853 42.059 0.118 0.000 0.891 454 L HN 0.251 nan 8.230 nan 0.000 0.431 455 L N -0.543 120.672 121.223 -0.014 0.000 2.056 455 L HA -0.174 4.186 4.340 0.033 0.000 0.207 455 L C 2.817 179.598 176.870 -0.149 0.000 1.078 455 L CA 1.138 55.919 54.840 -0.100 0.000 0.749 455 L CB -0.707 41.197 42.059 -0.259 0.000 0.901 455 L HN 0.298 nan 8.230 nan 0.000 0.433 456 A N 0.103 122.829 122.820 -0.157 0.000 1.930 456 A HA -0.187 4.153 4.320 0.033 0.000 0.217 456 A C 2.301 179.810 177.584 -0.124 0.000 1.175 456 A CA 1.445 53.382 52.037 -0.166 0.000 0.627 456 A CB -0.301 18.573 19.000 -0.210 0.000 0.815 456 A HN 0.318 nan 8.150 nan 0.000 0.443 457 K N -0.186 120.156 120.400 -0.097 0.000 2.147 457 K HA -0.028 4.312 4.320 0.033 0.000 0.205 457 K C 2.080 178.675 176.600 -0.009 0.000 1.049 457 K CA 0.997 57.253 56.287 -0.051 0.000 0.936 457 K CB -0.275 32.209 32.500 -0.027 0.000 0.722 457 K HN 0.438 nan 8.250 nan 0.000 0.446 458 A N 0.511 123.321 122.820 -0.017 0.000 2.119 458 A HA 0.057 4.397 4.320 0.033 0.000 0.217 458 A C 1.572 179.148 177.584 -0.013 0.000 1.153 458 A CA 1.341 53.378 52.037 0.000 0.000 0.692 458 A CB -0.320 18.694 19.000 0.024 0.000 0.799 458 A HN 0.450 nan 8.150 nan 0.000 0.458 459 G N -2.571 106.203 108.800 -0.043 0.000 2.168 459 G HA2 -0.110 3.870 3.960 0.033 0.000 0.197 459 G HA3 -0.110 3.870 3.960 0.033 0.000 0.197 459 G C -0.172 174.678 174.900 -0.083 0.000 0.997 459 G CA -0.012 45.054 45.100 -0.056 0.000 0.658 459 G HN 0.289 nan 8.290 nan 0.000 0.513 460 L N 0.936 122.094 121.223 -0.108 0.000 2.452 460 L HA 0.444 4.804 4.340 0.033 0.000 0.267 460 L C 0.833 177.621 176.870 -0.137 0.000 1.188 460 L CA 0.026 54.779 54.840 -0.145 0.000 0.821 460 L CB 0.881 42.751 42.059 -0.315 0.000 1.102 460 L HN 0.152 nan 8.230 nan 0.000 0.470 461 Q N 1.606 121.371 119.800 -0.059 0.000 2.377 461 Q HA 0.133 4.493 4.340 0.033 0.000 0.249 461 Q C 0.842 176.850 176.000 0.014 0.000 1.005 461 Q CA -0.074 55.731 55.803 0.003 0.000 0.912 461 Q CB 1.566 30.394 28.738 0.150 0.000 1.223 461 Q HN 0.644 nan 8.270 nan 0.000 0.459 462 V N 3.230 123.101 119.914 -0.071 0.000 2.591 462 V HA 0.028 4.168 4.120 0.033 0.000 0.249 462 V C 0.683 176.855 176.094 0.131 0.000 1.053 462 V CA 1.401 63.705 62.300 0.006 0.000 1.068 462 V CB 0.357 32.120 31.823 -0.099 0.000 0.689 462 V HN 0.419 nan 8.190 nan 0.000 0.462 463 V N -3.215 116.715 119.914 0.027 0.000 3.206 463 V HA 1.028 5.168 4.120 0.033 0.000 0.305 463 V C -0.577 175.379 176.094 -0.230 0.000 1.257 463 V CA -0.375 61.914 62.300 -0.019 0.000 1.057 463 V CB 0.972 32.793 31.823 -0.003 0.000 1.075 463 V HN 1.110 nan 8.190 nan 0.000 0.443 464 A N 1.371 123.973 122.820 -0.362 0.000 2.568 464 A HA 0.919 5.259 4.320 0.033 0.000 0.291 464 A C -1.659 175.757 177.584 -0.279 0.000 1.159 464 A CA -0.858 50.863 52.037 -0.527 0.000 0.679 464 A CB 1.487 19.681 19.000 -1.343 0.000 1.285 464 A HN 1.190 nan 8.150 nan 0.000 0.428 465 L N 1.002 122.106 121.223 -0.199 0.000 2.307 465 L HA 0.683 5.044 4.340 0.033 0.000 0.284 465 L C 0.775 177.686 176.870 0.069 0.000 1.023 465 L CA -0.229 54.591 54.840 -0.034 0.000 0.810 465 L CB 1.702 43.766 42.059 0.008 0.000 1.231 465 L HN 0.906 nan 8.230 nan 0.000 0.423 466 S N 2.011 117.771 115.700 0.100 0.000 2.452 466 S HA 0.796 5.286 4.470 0.033 0.000 0.284 466 S C 0.301 174.978 174.600 0.129 0.000 1.171 466 S CA 0.008 58.280 58.200 0.119 0.000 1.064 466 S CB 0.730 63.986 63.200 0.094 0.000 0.967 466 S HN 0.858 nan 8.310 nan 0.000 0.484 467 G N 0.088 108.947 108.800 0.097 0.000 2.347 467 G HA2 0.671 4.651 3.960 0.033 0.000 0.303 467 G HA3 0.671 4.651 3.960 0.033 0.000 0.303 467 G C -0.995 173.784 174.900 -0.202 0.000 1.481 467 G CA 0.035 45.081 45.100 -0.090 0.000 0.914 467 G HN 1.567 nan 8.290 nan 0.000 0.638 468 A N -0.052 122.546 122.820 -0.370 0.000 2.324 468 A HA 0.935 5.275 4.320 0.033 0.000 0.330 468 A C -1.210 176.050 177.584 -0.540 0.000 1.165 468 A CA -0.520 51.356 52.037 -0.268 0.000 0.813 468 A CB 0.830 19.755 19.000 -0.126 0.000 1.197 468 A HN 0.980 nan 8.150 nan 0.000 0.484 469 Y N 1.201 121.506 120.300 0.008 0.000 2.576 469 Y HA 0.461 5.032 4.550 0.034 0.000 0.346 469 Y C -1.535 174.360 175.900 -0.009 0.000 1.018 469 Y CA -1.712 56.384 58.100 -0.006 0.000 1.050 469 Y CB 1.373 39.803 38.460 -0.050 0.000 1.280 469 Y HN 0.541 nan 8.280 nan 0.000 0.474 470 P HA -0.132 nan 4.420 nan 0.000 0.216 470 P C -0.457 176.878 177.300 0.057 0.000 1.154 470 P CA 1.647 64.785 63.100 0.063 0.000 0.865 470 P CB 0.205 31.931 31.700 0.044 0.000 0.789 471 A N -0.501 122.361 122.820 0.071 0.000 2.342 471 A HA 0.354 4.694 4.320 0.033 0.000 0.323 471 A C 0.397 177.995 177.584 0.022 0.000 1.125 471 A CA -0.569 51.482 52.037 0.024 0.000 0.785 471 A CB 1.093 20.097 19.000 0.007 0.000 1.221 471 A HN 0.045 nan 8.150 nan 0.000 0.463 472 E N 0.894 121.080 120.200 -0.024 0.000 2.481 472 E HA 0.218 4.588 4.350 0.033 0.000 0.198 472 E C -0.763 175.822 176.600 -0.026 0.000 1.027 472 E CA -0.022 56.387 56.400 0.016 0.000 0.900 472 E CB 0.431 30.176 29.700 0.076 0.000 0.993 472 E HN 0.319 nan 8.360 nan 0.000 0.482 473 L N 0.973 122.136 121.223 -0.100 0.000 2.482 473 L HA 0.560 4.920 4.340 0.033 0.000 0.269 473 L C -1.761 175.090 176.870 -0.031 0.000 0.967 473 L CA -0.815 53.981 54.840 -0.073 0.000 0.851 473 L CB 1.864 43.811 42.059 -0.188 0.000 1.242 473 L HN -0.058 nan 8.230 nan 0.000 0.404 474 A N 4.833 127.644 122.820 -0.015 0.000 2.310 474 A HA 0.700 5.040 4.320 0.033 0.000 0.304 474 A C -1.263 176.324 177.584 0.005 0.000 1.231 474 A CA -0.420 51.615 52.037 -0.004 0.000 0.799 474 A CB 1.353 20.328 19.000 -0.040 0.000 1.162 474 A HN 1.016 nan 8.150 nan 0.000 0.486 475 V N 2.820 122.750 119.914 0.027 0.000 2.459 475 V HA 0.859 4.999 4.120 0.033 0.000 0.295 475 V C 0.376 176.437 176.094 -0.054 0.000 1.029 475 V CA 0.295 62.558 62.300 -0.061 0.000 0.874 475 V CB 1.304 33.030 31.823 -0.161 0.000 0.985 475 V HN 1.144 nan 8.190 nan 0.000 0.438 476 G N 5.410 114.140 108.800 -0.116 0.000 2.367 476 G HA2 0.635 4.615 3.960 0.033 0.000 0.314 476 G HA3 0.635 4.615 3.960 0.033 0.000 0.314 476 G C -1.288 173.511 174.900 -0.167 0.000 1.130 476 G CA -0.455 44.633 45.100 -0.019 0.000 0.864 476 G HN 0.632 nan 8.290 nan 0.000 0.486 477 F N 1.615 121.632 119.950 0.113 0.000 2.449 477 F HA 0.429 4.976 4.527 0.033 0.000 0.342 477 F C 0.328 176.178 175.800 0.083 0.000 1.127 477 F CA -1.106 56.961 58.000 0.111 0.000 0.975 477 F CB 1.959 41.075 39.000 0.194 0.000 1.146 477 F HN 0.288 nan 8.300 nan 0.000 0.444 478 N N 1.260 120.068 118.700 0.180 0.000 2.457 478 N HA 0.818 5.578 4.740 0.033 0.000 0.290 478 N C -1.430 174.152 175.510 0.120 0.000 1.232 478 N CA -0.556 52.567 53.050 0.121 0.000 0.852 478 N CB 2.286 40.798 38.487 0.042 0.000 1.313 478 N HN 0.669 nan 8.380 nan 0.000 0.522 479 A N -0.485 122.390 122.820 0.093 0.000 2.365 479 A HA 0.771 5.111 4.320 0.033 0.000 0.318 479 A C -0.150 177.476 177.584 0.069 0.000 1.091 479 A CA -0.068 52.023 52.037 0.090 0.000 0.763 479 A CB 0.776 19.822 19.000 0.075 0.000 1.248 479 A HN 0.996 nan 8.150 nan 0.000 0.442 480 G N -0.087 108.770 108.800 0.096 0.000 3.439 480 G HA2 0.335 4.315 3.960 0.033 0.000 0.684 480 G HA3 0.335 4.315 3.960 0.033 0.000 0.684 480 G C 0.437 175.376 174.900 0.066 0.000 1.005 480 G CA 0.038 45.180 45.100 0.070 0.000 0.837 480 G HN 2.005 nan 8.290 nan 0.000 0.470 481 G N 0.302 109.172 108.800 0.116 0.000 3.342 481 G HA2 0.730 4.710 3.960 0.033 0.000 0.252 481 G HA3 0.730 4.710 3.960 0.033 0.000 0.252 481 G C 0.637 175.548 174.900 0.018 0.000 1.011 481 G CA 1.420 46.561 45.100 0.068 0.000 0.869 481 G HN 1.519 nan 8.290 nan 0.000 0.514 482 R N -0.682 119.793 120.500 -0.042 0.000 2.893 482 R HA 0.894 5.254 4.340 0.033 0.000 0.245 482 R C 0.868 177.016 176.300 -0.254 0.000 1.192 482 R CA 0.645 56.620 56.100 -0.208 0.000 1.077 482 R CB -0.403 29.597 30.300 -0.500 0.000 1.253 482 R HN 0.273 nan 8.270 nan 0.000 0.505 483 E N -0.257 119.753 120.200 -0.316 0.000 2.035 483 E HA -0.026 4.344 4.350 0.033 0.000 0.191 483 E C 2.227 178.680 176.600 -0.245 0.000 0.966 483 E CA 1.545 57.807 56.400 -0.230 0.000 0.823 483 E CB -0.869 28.725 29.700 -0.175 0.000 0.791 483 E HN 0.743 nan 8.360 nan 0.000 0.459 484 S N -0.665 114.842 115.700 -0.322 0.000 2.325 484 S HA 0.194 4.684 4.470 0.033 0.000 0.213 484 S C 0.923 175.450 174.600 -0.122 0.000 1.031 484 S CA 1.132 59.234 58.200 -0.163 0.000 0.984 484 S CB -0.526 62.664 63.200 -0.017 0.000 0.939 484 S HN 0.538 nan 8.310 nan 0.000 0.438 485 F N 0.673 120.565 119.950 -0.098 0.000 2.452 485 F HA 0.809 5.358 4.527 0.037 0.000 0.353 485 F C 0.557 176.244 175.800 -0.189 0.000 1.089 485 F CA -1.318 56.594 58.000 -0.148 0.000 1.080 485 F CB 0.566 39.446 39.000 -0.199 0.000 1.399 485 F HN -0.054 nan 8.300 nan 0.000 0.492 486 R N -0.615 119.850 120.500 -0.059 0.000 2.947 486 R HA 0.551 4.912 4.340 0.033 0.000 0.253 486 R C -2.048 174.119 176.300 -0.223 0.000 1.208 486 R CA -0.978 55.033 56.100 -0.148 0.000 1.012 486 R CB 1.466 31.738 30.300 -0.046 0.000 1.267 486 R HN 0.569 nan 8.270 nan 0.000 0.473 487 F N -0.275 119.736 119.950 0.102 0.000 2.482 487 F HA 0.452 4.998 4.527 0.032 0.000 0.331 487 F C 0.730 176.567 175.800 0.063 0.000 1.115 487 F CA -0.583 57.477 58.000 0.100 0.000 0.955 487 F CB 2.226 41.277 39.000 0.086 0.000 1.136 487 F HN 0.570 nan 8.300 nan 0.000 0.452 488 G N 1.262 110.205 108.800 0.239 0.000 2.319 488 G HA2 0.555 4.535 3.960 0.033 0.000 0.308 488 G HA3 0.555 4.535 3.960 0.033 0.000 0.308 488 G C -0.392 174.613 174.900 0.175 0.000 1.117 488 G CA -0.512 44.693 45.100 0.175 0.000 0.903 488 G HN 0.941 nan 8.290 nan 0.000 0.436 489 G N -0.303 108.575 108.800 0.130 0.000 2.642 489 G HA2 0.855 4.835 3.960 0.033 0.000 0.293 489 G HA3 0.855 4.835 3.960 0.033 0.000 0.293 489 G C -1.149 173.743 174.900 -0.015 0.000 1.341 489 G CA -0.256 44.882 45.100 0.063 0.000 0.916 489 G HN 1.246 nan 8.290 nan 0.000 0.474 490 A N -0.625 122.133 122.820 -0.103 0.000 2.374 490 A HA 0.922 5.262 4.320 0.033 0.000 0.305 490 A C -0.047 177.449 177.584 -0.146 0.000 1.053 490 A CA 0.058 51.914 52.037 -0.303 0.000 0.726 490 A CB 1.451 20.068 19.000 -0.638 0.000 1.229 490 A HN 1.989 nan 8.150 nan 0.000 0.431 491 A N 0.547 123.290 122.820 -0.129 0.000 2.322 491 A HA 0.887 5.227 4.320 0.033 0.000 0.327 491 A C 0.030 177.591 177.584 -0.039 0.000 1.134 491 A CA -0.025 52.013 52.037 0.002 0.000 0.831 491 A CB 0.681 19.725 19.000 0.074 0.000 1.288 491 A HN 2.452 nan 8.150 nan 0.000 0.472 492 C N -1.323 117.994 119.300 0.028 0.000 3.170 492 C HA 0.867 5.347 4.460 0.033 0.000 0.319 492 C C -0.101 174.922 174.990 0.054 0.000 1.260 492 C CA -0.272 58.755 59.018 0.014 0.000 1.374 492 C CB 0.806 28.544 27.740 -0.003 0.000 1.739 492 C HN 1.761 nan 8.230 nan 0.000 0.479 493 A N 1.888 124.727 122.820 0.033 0.000 2.252 493 A HA 0.670 5.010 4.320 0.033 0.000 0.309 493 A C -0.053 177.550 177.584 0.033 0.000 1.285 493 A CA -0.246 51.808 52.037 0.029 0.000 0.900 493 A CB 0.419 19.408 19.000 -0.019 0.000 1.157 493 A HN 2.302 nan 8.150 nan 0.000 0.536 494 V N 2.760 122.706 119.914 0.054 0.000 2.532 494 V HA 0.855 4.995 4.120 0.033 0.000 0.295 494 V C 0.317 176.400 176.094 -0.019 0.000 1.041 494 V CA 0.847 63.196 62.300 0.082 0.000 0.926 494 V CB 0.904 32.791 31.823 0.107 0.000 0.992 494 V HN 2.570 nan 8.190 nan 0.000 0.457 495 G N 3.993 112.902 108.800 0.181 0.000 3.402 495 G HA2 0.038 4.018 3.960 0.033 0.000 0.686 495 G HA3 0.038 4.018 3.960 0.033 0.000 0.686 495 G C 0.582 175.548 174.900 0.110 0.000 0.983 495 G CA -0.083 45.089 45.100 0.121 0.000 0.821 495 G HN 1.870 nan 8.290 nan 0.000 0.500 496 G N 2.056 110.963 108.800 0.177 0.000 2.450 496 G HA2 -0.096 3.884 3.960 0.033 0.000 0.220 496 G HA3 -0.096 3.884 3.960 0.033 0.000 0.220 496 G C 1.504 176.490 174.900 0.143 0.000 1.130 496 G CA 1.554 46.735 45.100 0.134 0.000 0.760 496 G HN 1.645 nan 8.290 nan 0.000 0.557 497 D N -0.103 120.368 120.400 0.118 0.000 2.346 497 D HA 0.063 4.723 4.640 0.033 0.000 0.202 497 D C 1.575 177.943 176.300 0.113 0.000 1.007 497 D CA 1.780 55.851 54.000 0.118 0.000 0.923 497 D CB -0.570 40.288 40.800 0.096 0.000 0.891 497 D HN 0.867 nan 8.370 nan 0.000 0.460 498 G N -1.713 107.107 108.800 0.034 0.000 2.338 498 G HA2 0.088 4.068 3.960 0.033 0.000 0.115 498 G HA3 0.088 4.068 3.960 0.033 0.000 0.115 498 G C 0.479 175.288 174.900 -0.152 0.000 1.053 498 G CA -0.031 45.032 45.100 -0.063 0.000 0.733 498 G HN 0.699 nan 8.290 nan 0.000 0.482 499 G N -0.211 108.525 108.800 -0.108 0.000 2.479 499 G HA2 0.510 4.490 3.960 0.033 0.000 0.275 499 G HA3 0.510 4.490 3.960 0.033 0.000 0.275 499 G C 0.371 175.223 174.900 -0.081 0.000 1.421 499 G CA 0.031 45.061 45.100 -0.117 0.000 1.059 499 G HN 1.232 nan 8.290 nan 0.000 0.535 500 H N -1.754 117.301 119.070 -0.024 0.000 2.502 500 H HA 0.586 5.162 4.556 0.033 0.000 0.338 500 H C -0.776 174.546 175.328 -0.011 0.000 1.155 500 H CA -1.111 54.923 56.048 -0.023 0.000 1.237 500 H CB 1.327 31.098 29.762 0.015 0.000 1.534 500 H HN 0.198 nan 8.280 nan 0.000 0.523 501 L N 3.303 124.642 121.223 0.193 0.000 2.309 501 L HA 0.387 4.747 4.340 0.033 0.000 0.282 501 L C -0.687 176.238 176.870 0.092 0.000 1.036 501 L CA -0.951 53.962 54.840 0.121 0.000 0.806 501 L CB 1.452 43.553 42.059 0.069 0.000 1.220 501 L HN 0.588 nan 8.230 nan 0.000 0.429 502 L N 0.584 121.873 121.223 0.111 0.000 2.540 502 L HA 0.674 5.034 4.340 0.033 0.000 0.256 502 L C -1.258 175.702 176.870 0.150 0.000 1.001 502 L CA -0.730 54.146 54.840 0.061 0.000 0.843 502 L CB 1.591 43.616 42.059 -0.058 0.000 1.436 502 L HN 0.648 nan 8.230 nan 0.000 0.410 503 W N 0.133 121.501 121.300 0.113 0.000 2.671 503 W HA 0.899 5.581 4.660 0.037 0.000 0.360 503 W C -1.126 175.437 176.519 0.072 0.000 1.128 503 W CA -0.219 57.191 57.345 0.107 0.000 1.184 503 W CB 0.813 30.410 29.460 0.229 0.000 1.415 503 W HN 0.885 nan 8.180 nan 0.000 0.604 504 T N -1.070 113.710 114.554 0.377 0.000 2.916 504 T HA 0.507 4.877 4.350 0.033 0.000 0.292 504 T C -0.564 174.421 174.700 0.475 0.000 1.055 504 T CA -0.957 61.276 62.100 0.222 0.000 1.009 504 T CB 2.087 70.996 68.868 0.069 0.000 1.118 504 T HN 0.518 nan 8.240 nan 0.000 0.497 505 L N 2.848 124.287 121.223 0.360 0.000 2.534 505 L HA 0.254 4.614 4.340 0.033 0.000 0.271 505 L C -1.913 175.081 176.870 0.207 0.000 1.178 505 L CA -1.558 53.490 54.840 0.347 0.000 0.907 505 L CB 0.500 42.701 42.059 0.236 0.000 1.164 505 L HN 0.558 nan 8.230 nan 0.000 0.482 506 P HA 0.179 nan 4.420 nan 0.000 0.273 506 P C -1.162 176.283 177.300 0.241 0.000 1.250 506 P CA -0.392 62.805 63.100 0.161 0.000 0.793 506 P CB 0.701 32.444 31.700 0.071 0.000 1.011 507 E N -0.108 120.271 120.200 0.299 0.000 2.272 507 E HA 0.607 4.977 4.350 0.033 0.000 0.269 507 E C -1.267 175.489 176.600 0.261 0.000 0.877 507 E CA -0.973 55.584 56.400 0.261 0.000 0.755 507 E CB 1.318 31.098 29.700 0.133 0.000 1.192 507 E HN 0.449 nan 8.360 nan 0.000 0.422 508 A N 4.141 127.029 122.820 0.113 0.000 2.407 508 A HA 0.517 4.857 4.320 0.033 0.000 0.248 508 A C -0.446 177.060 177.584 -0.129 0.000 1.082 508 A CA -0.002 51.885 52.037 -0.249 0.000 0.785 508 A CB 0.230 18.958 19.000 -0.452 0.000 1.020 508 A HN 0.654 nan 8.150 nan 0.000 0.489 509 Q N 0.320 120.057 119.800 -0.107 0.000 2.511 509 Q HA 0.669 5.029 4.340 0.033 0.000 0.289 509 Q C 0.124 176.129 176.000 0.008 0.000 1.021 509 Q CA -0.398 55.384 55.803 -0.036 0.000 0.785 509 Q CB 1.566 30.302 28.738 -0.003 0.000 1.472 509 Q HN 0.722 nan 8.270 nan 0.000 0.411 510 A N 1.194 124.019 122.820 0.008 0.000 1.898 510 A HA 0.244 4.584 4.320 0.033 0.000 0.216 510 A C 0.945 178.541 177.584 0.020 0.000 1.181 510 A CA 1.899 53.952 52.037 0.027 0.000 0.620 510 A CB -0.701 18.306 19.000 0.011 0.000 0.819 510 A HN 0.820 nan 8.150 nan 0.000 0.442 511 G N -1.831 106.975 108.800 0.009 0.000 3.264 511 G HA2 0.403 4.383 3.960 0.033 0.000 0.168 511 G HA3 0.403 4.383 3.960 0.033 0.000 0.168 511 G C 0.389 175.293 174.900 0.007 0.000 1.145 511 G CA 0.649 45.751 45.100 0.003 0.000 0.855 511 G HN 0.128 nan 8.290 nan 0.000 0.629 512 E N -0.393 119.811 120.200 0.008 0.000 2.276 512 E HA 0.066 4.436 4.350 0.033 0.000 0.193 512 E C 1.351 177.967 176.600 0.027 0.000 0.983 512 E CA -0.130 56.281 56.400 0.017 0.000 0.861 512 E CB 0.076 29.783 29.700 0.012 0.000 0.817 512 E HN 0.301 nan 8.360 nan 0.000 0.485 513 R N 1.278 121.788 120.500 0.018 0.000 2.351 513 R HA 0.151 4.511 4.340 0.033 0.000 0.318 513 R C -0.480 175.829 176.300 0.014 0.000 1.055 513 R CA -0.121 55.989 56.100 0.017 0.000 0.968 513 R CB 0.024 30.328 30.300 0.008 0.000 0.974 513 R HN 0.160 nan 8.270 nan 0.000 0.439 514 I N 8.126 128.704 120.570 0.013 0.000 2.471 514 I HA 0.156 4.346 4.170 0.033 0.000 0.286 514 I C -1.812 174.284 176.117 -0.035 0.000 1.079 514 I CA -2.189 59.109 61.300 -0.002 0.000 1.398 514 I CB 1.096 39.088 38.000 -0.013 0.000 1.403 514 I HN 0.453 nan 8.210 nan 0.000 0.530 515 P HA 0.051 nan 4.420 nan 0.000 0.268 515 P C 0.112 177.384 177.300 -0.046 0.000 1.205 515 P CA -0.167 62.919 63.100 -0.025 0.000 0.771 515 P CB 0.588 32.283 31.700 -0.009 0.000 0.858 516 Q N 1.302 121.075 119.800 -0.045 0.000 2.096 516 Q HA -0.246 4.114 4.340 0.033 0.000 0.204 516 Q C 1.456 177.448 176.000 -0.015 0.000 0.982 516 Q CA 1.864 57.632 55.803 -0.060 0.000 0.850 516 Q CB -0.192 28.520 28.738 -0.043 0.000 0.901 516 Q HN 0.555 nan 8.270 nan 0.000 0.422 517 E N -0.136 120.075 120.200 0.017 0.000 2.153 517 E HA -0.140 4.230 4.350 0.033 0.000 0.194 517 E C 1.949 178.600 176.600 0.085 0.000 0.988 517 E CA 1.117 57.562 56.400 0.075 0.000 0.811 517 E CB -0.188 29.545 29.700 0.056 0.000 0.746 517 E HN 0.114 nan 8.360 nan 0.000 0.466 518 V N 0.491 120.424 119.914 0.031 0.000 2.379 518 V HA -0.215 3.925 4.120 0.033 0.000 0.245 518 V C 2.223 178.327 176.094 0.017 0.000 1.044 518 V CA 1.254 63.571 62.300 0.027 0.000 1.036 518 V CB -0.480 31.359 31.823 0.027 0.000 0.664 518 V HN 0.150 nan 8.190 nan 0.000 0.453 519 V N -0.151 119.727 119.914 -0.059 0.000 2.255 519 V HA -0.336 3.804 4.120 0.033 0.000 0.247 519 V C 2.139 178.223 176.094 -0.016 0.000 1.051 519 V CA 2.620 64.814 62.300 -0.177 0.000 1.018 519 V CB -0.891 30.536 31.823 -0.659 0.000 0.641 519 V HN 0.801 nan 8.190 nan 0.000 0.445 520 W N 1.524 122.743 121.300 -0.136 0.000 2.315 520 W HA -0.246 4.434 4.660 0.034 0.000 0.323 520 W C 2.254 178.777 176.519 0.008 0.000 1.233 520 W CA 2.140 59.450 57.345 -0.058 0.000 1.267 520 W CB -0.389 29.035 29.460 -0.060 0.000 1.160 520 W HN 0.340 nan 8.180 nan 0.000 0.474 521 D N 0.955 121.211 120.400 -0.240 0.000 2.116 521 D HA -0.235 4.426 4.640 0.033 0.000 0.193 521 D C 2.263 178.386 176.300 -0.295 0.000 0.998 521 D CA 2.198 55.992 54.000 -0.343 0.000 0.836 521 D CB -0.938 39.803 40.800 -0.097 0.000 0.951 521 D HN 0.286 nan 8.370 nan 0.000 0.449 522 L N 0.065 121.216 121.223 -0.120 0.000 2.012 522 L HA -0.176 4.184 4.340 0.033 0.000 0.210 522 L C 2.526 179.323 176.870 -0.121 0.000 1.073 522 L CA 0.544 55.345 54.840 -0.065 0.000 0.748 522 L CB -0.543 41.543 42.059 0.045 0.000 0.891 522 L HN 0.071 nan 8.230 nan 0.000 0.431 523 L N 0.400 121.569 121.223 -0.090 0.000 2.012 523 L HA -0.255 4.105 4.340 0.033 0.000 0.210 523 L C 2.564 179.247 176.870 -0.312 0.000 1.073 523 L CA 1.946 56.733 54.840 -0.089 0.000 0.748 523 L CB -0.676 41.407 42.059 0.040 0.000 0.891 523 L HN 0.331 nan 8.230 nan 0.000 0.431 524 E N -0.988 118.782 120.200 -0.716 0.000 2.153 524 E HA -0.243 4.127 4.350 0.033 0.000 0.194 524 E C 1.844 178.312 176.600 -0.219 0.000 0.988 524 E CA 1.096 57.106 56.400 -0.651 0.000 0.811 524 E CB 0.001 29.121 29.700 -0.967 0.000 0.746 524 E HN 0.538 nan 8.360 nan 0.000 0.466 525 E N 0.046 120.135 120.200 -0.185 0.000 2.077 525 E HA -0.161 4.209 4.350 0.033 0.000 0.193 525 E C 2.304 178.925 176.600 0.035 0.000 0.989 525 E CA 1.851 58.224 56.400 -0.046 0.000 0.800 525 E CB -0.473 29.189 29.700 -0.064 0.000 0.746 525 E HN 0.527 nan 8.360 nan 0.000 0.452 526 T N -0.698 113.852 114.554 -0.007 0.000 2.857 526 T HA -0.027 4.343 4.350 0.033 0.000 0.266 526 T C 2.267 177.033 174.700 0.110 0.000 1.048 526 T CA 0.565 62.689 62.100 0.040 0.000 1.139 526 T CB -0.497 68.371 68.868 0.000 0.000 0.874 526 T HN 0.036 nan 8.240 nan 0.000 0.455 527 L N -0.874 120.403 121.223 0.090 0.000 1.990 527 L HA -0.089 4.271 4.340 0.033 0.000 0.213 527 L C 2.805 179.850 176.870 0.292 0.000 1.072 527 L CA 2.011 56.952 54.840 0.168 0.000 0.755 527 L CB -0.713 41.438 42.059 0.152 0.000 0.889 527 L HN 0.440 nan 8.230 nan 0.000 0.432 528 W N 0.570 121.886 121.300 0.027 0.000 2.358 528 W HA -0.242 4.438 4.660 0.033 0.000 0.303 528 W C 2.578 179.129 176.519 0.052 0.000 1.208 528 W CA 1.247 58.614 57.345 0.037 0.000 1.274 528 W CB 0.017 29.473 29.460 -0.007 0.000 1.138 528 W HN 0.229 nan 8.180 nan 0.000 0.515 529 A N 0.122 123.042 122.820 0.167 0.000 1.917 529 A HA -0.304 4.036 4.320 0.033 0.000 0.219 529 A C 1.756 179.362 177.584 0.037 0.000 1.182 529 A CA 1.915 53.994 52.037 0.070 0.000 0.633 529 A CB -1.536 17.517 19.000 0.088 0.000 0.819 529 A HN 0.402 nan 8.150 nan 0.000 0.448 530 F N 0.502 120.427 119.950 -0.041 0.000 2.102 530 F HA -0.151 4.396 4.527 0.033 0.000 0.298 530 F C 2.432 178.154 175.800 -0.130 0.000 1.105 530 F CA 1.997 59.958 58.000 -0.065 0.000 1.239 530 F CB -0.141 38.843 39.000 -0.026 0.000 0.991 530 F HN 0.193 nan 8.300 nan 0.000 0.474 531 R N 1.215 121.698 120.500 -0.028 0.000 2.200 531 R HA -0.140 4.220 4.340 0.033 0.000 0.234 531 R C 1.936 177.977 176.300 -0.431 0.000 1.127 531 R CA 1.424 57.361 56.100 -0.271 0.000 0.989 531 R CB -0.552 29.453 30.300 -0.492 0.000 0.869 531 R HN 0.343 nan 8.270 nan 0.000 0.459 532 R N -0.494 119.760 120.500 -0.409 0.000 2.210 532 R HA 0.039 4.399 4.340 0.033 0.000 0.203 532 R C 1.776 177.936 176.300 -0.234 0.000 1.010 532 R CA 0.686 56.591 56.100 -0.324 0.000 1.008 532 R CB 0.196 30.339 30.300 -0.263 0.000 0.923 532 R HN -0.014 nan 8.270 nan 0.000 0.469 533 K N 0.665 120.902 120.400 -0.271 0.000 2.056 533 K HA 0.184 4.524 4.320 0.033 0.000 0.205 533 K C 0.801 177.199 176.600 -0.336 0.000 1.035 533 K CA 0.957 57.092 56.287 -0.253 0.000 0.955 533 K CB -0.217 32.127 32.500 -0.260 0.000 0.769 533 K HN 0.060 nan 8.250 nan 0.000 0.447 534 A N -0.348 122.126 122.820 -0.575 0.000 2.267 534 A HA 0.512 4.852 4.320 0.033 0.000 0.271 534 A C 1.000 178.388 177.584 -0.327 0.000 1.131 534 A CA 0.174 51.926 52.037 -0.474 0.000 0.818 534 A CB -0.029 18.552 19.000 -0.698 0.000 1.118 534 A HN 0.379 nan 8.150 nan 0.000 0.501 535 G N -0.954 107.729 108.800 -0.195 0.000 3.605 535 G HA2 0.453 4.433 3.960 0.033 0.000 0.277 535 G HA3 0.453 4.433 3.960 0.033 0.000 0.277 535 G C 0.360 175.214 174.900 -0.077 0.000 1.093 535 G CA -0.052 44.967 45.100 -0.135 0.000 0.821 535 G HN 0.860 nan 8.290 nan 0.000 0.532 536 R N -1.272 119.207 120.500 -0.036 0.000 2.870 536 R HA 0.652 5.012 4.340 0.033 0.000 0.262 536 R C -1.047 175.381 176.300 0.214 0.000 1.112 536 R CA -1.053 55.094 56.100 0.079 0.000 0.976 536 R CB 0.730 31.097 30.300 0.112 0.000 1.261 536 R HN -0.034 nan 8.270 nan 0.000 0.453 537 L N 0.976 122.324 121.223 0.209 0.000 2.421 537 L HA 0.472 4.832 4.340 0.033 0.000 0.263 537 L C -2.062 174.909 176.870 0.168 0.000 1.122 537 L CA -2.308 52.663 54.840 0.218 0.000 0.804 537 L CB 0.868 43.015 42.059 0.146 0.000 1.150 537 L HN 0.394 nan 8.230 nan 0.000 0.457 538 P HA 0.094 nan 4.420 nan 0.000 0.275 538 P C 0.234 177.442 177.300 -0.153 0.000 1.228 538 P CA -0.493 62.296 63.100 -0.518 0.000 0.786 538 P CB 0.985 32.075 31.700 -1.016 0.000 0.927 539 S N 2.573 118.222 115.700 -0.084 0.000 2.383 539 S HA -0.107 4.383 4.470 0.033 0.000 0.227 539 S C 0.713 175.296 174.600 -0.029 0.000 1.026 539 S CA 0.516 58.703 58.200 -0.022 0.000 0.981 539 S CB -0.248 62.953 63.200 0.002 0.000 0.818 539 S HN 0.652 nan 8.310 nan 0.000 0.472 540 R N 0.342 120.807 120.500 -0.059 0.000 2.536 540 R HA 0.467 4.827 4.340 0.033 0.000 0.269 540 R C -1.649 174.631 176.300 -0.034 0.000 1.113 540 R CA -0.698 55.390 56.100 -0.020 0.000 0.948 540 R CB 1.704 32.002 30.300 -0.003 0.000 1.237 540 R HN 0.188 nan 8.270 nan 0.000 0.441 541 V N 2.144 122.074 119.914 0.028 0.000 2.539 541 V HA 0.602 4.742 4.120 0.033 0.000 0.292 541 V C -0.421 175.729 176.094 0.093 0.000 1.045 541 V CA -1.028 61.296 62.300 0.041 0.000 0.945 541 V CB 1.320 33.194 31.823 0.086 0.000 0.993 541 V HN 0.687 nan 8.190 nan 0.000 0.464 542 L N 5.472 126.731 121.223 0.061 0.000 2.275 542 L HA 0.638 4.998 4.340 0.033 0.000 0.288 542 L C -0.779 176.156 176.870 0.108 0.000 1.046 542 L CA -0.228 54.650 54.840 0.063 0.000 0.805 542 L CB 0.991 43.058 42.059 0.012 0.000 1.193 542 L HN 0.656 nan 8.230 nan 0.000 0.426 543 L N 6.764 128.063 121.223 0.127 0.000 2.295 543 L HA 0.471 4.831 4.340 0.033 0.000 0.281 543 L C -0.538 176.412 176.870 0.134 0.000 1.018 543 L CA -0.150 54.822 54.840 0.220 0.000 0.841 543 L CB 1.148 43.332 42.059 0.208 0.000 1.218 543 L HN 0.543 nan 8.230 nan 0.000 0.424 544 L N 3.385 124.732 121.223 0.206 0.000 2.289 544 L HA 0.591 4.951 4.340 0.033 0.000 0.285 544 L C 0.189 177.200 176.870 0.235 0.000 1.049 544 L CA -0.722 54.199 54.840 0.134 0.000 0.804 544 L CB 1.453 43.568 42.059 0.095 0.000 1.195 544 L HN 0.524 nan 8.230 nan 0.000 0.428 545 R N 0.930 121.484 120.500 0.088 0.000 2.589 545 R HA 0.176 4.536 4.340 0.033 0.000 0.293 545 R C 0.098 176.446 176.300 0.081 0.000 0.963 545 R CA -0.467 55.712 56.100 0.132 0.000 0.905 545 R CB 1.278 31.571 30.300 -0.011 0.000 1.144 545 R HN 0.602 nan 8.270 nan 0.000 0.459 546 D N 1.635 122.101 120.400 0.110 0.000 2.324 546 D HA 0.212 4.872 4.640 0.033 0.000 0.235 546 D C 0.193 176.511 176.300 0.029 0.000 1.095 546 D CA 1.033 55.071 54.000 0.063 0.000 0.871 546 D CB 0.284 41.126 40.800 0.069 0.000 0.906 546 D HN 0.637 nan 8.370 nan 0.000 0.522 547 G N -0.943 107.866 108.800 0.015 0.000 2.565 547 G HA2 0.120 4.100 3.960 0.033 0.000 0.142 547 G HA3 0.120 4.100 3.960 0.033 0.000 0.142 547 G C -1.029 173.854 174.900 -0.027 0.000 1.181 547 G CA -0.995 44.099 45.100 -0.011 0.000 1.066 547 G HN -0.021 nan 8.290 nan 0.000 0.530 548 R N -0.100 120.383 120.500 -0.029 0.000 2.619 548 R HA 0.189 4.549 4.340 0.033 0.000 0.268 548 R C -0.319 175.967 176.300 -0.023 0.000 0.990 548 R CA 0.151 56.230 56.100 -0.035 0.000 1.092 548 R CB 0.636 30.917 30.300 -0.031 0.000 0.935 548 R HN 0.211 nan 8.270 nan 0.000 0.415 549 V N 7.115 127.005 119.914 -0.041 0.000 2.334 549 V HA 0.132 4.272 4.120 0.033 0.000 0.267 549 V C -1.833 174.261 176.094 -0.000 0.000 1.040 549 V CA -1.764 60.522 62.300 -0.024 0.000 0.866 549 V CB 1.111 32.870 31.823 -0.107 0.000 1.019 549 V HN 0.635 nan 8.190 nan 0.000 0.468 550 P HA -0.027 nan 4.420 nan 0.000 0.260 550 P C 0.130 177.441 177.300 0.019 0.000 1.172 550 P CA 0.036 63.146 63.100 0.016 0.000 0.760 550 P CB 0.241 31.956 31.700 0.025 0.000 0.773 551 Q N 3.483 123.283 119.800 0.001 0.000 3.251 551 Q HA -0.197 4.163 4.340 0.033 0.000 0.380 551 Q C 0.465 176.473 176.000 0.013 0.000 1.047 551 Q CA 1.429 57.231 55.803 -0.000 0.000 1.231 551 Q CB -0.385 28.347 28.738 -0.010 0.000 1.012 551 Q HN 0.528 nan 8.270 nan 0.000 0.438 552 D N 1.461 121.874 120.400 0.021 0.000 3.077 552 D HA -0.225 4.435 4.640 0.033 0.000 0.212 552 D C 0.937 177.263 176.300 0.043 0.000 1.125 552 D CA 1.334 55.350 54.000 0.025 0.000 0.970 552 D CB -0.727 40.077 40.800 0.007 0.000 1.110 552 D HN 0.826 nan 8.370 nan 0.000 0.419 553 E N -0.704 119.546 120.200 0.083 0.000 2.085 553 E HA -0.170 4.200 4.350 0.033 0.000 0.194 553 E C 1.376 177.996 176.600 0.033 0.000 0.994 553 E CA 1.024 57.470 56.400 0.077 0.000 0.801 553 E CB -0.067 29.723 29.700 0.151 0.000 0.743 553 E HN 0.297 nan 8.360 nan 0.000 0.453 554 F N -0.141 119.731 119.950 -0.130 0.000 2.660 554 F HA 0.361 4.907 4.527 0.032 0.000 0.302 554 F C 1.630 177.350 175.800 -0.134 0.000 1.103 554 F CA 0.180 58.083 58.000 -0.162 0.000 1.340 554 F CB -0.015 38.854 39.000 -0.219 0.000 1.048 554 F HN 0.082 nan 8.300 nan 0.000 0.551 555 A N 0.552 123.398 122.820 0.044 0.000 1.841 555 A HA -0.218 4.122 4.320 0.033 0.000 0.216 555 A C 2.248 179.804 177.584 -0.046 0.000 1.199 555 A CA 1.828 53.862 52.037 -0.004 0.000 0.621 555 A CB -1.051 17.945 19.000 -0.007 0.000 0.835 555 A HN 0.394 nan 8.150 nan 0.000 0.445 556 L N -0.668 120.517 121.223 -0.062 0.000 2.043 556 L HA -0.214 4.146 4.340 0.033 0.000 0.212 556 L C 2.836 179.613 176.870 -0.154 0.000 1.075 556 L CA 1.877 56.652 54.840 -0.108 0.000 0.752 556 L CB -0.350 41.656 42.059 -0.088 0.000 0.891 556 L HN 0.425 nan 8.230 nan 0.000 0.432 557 A N -0.841 121.941 122.820 -0.064 0.000 1.902 557 A HA -0.189 4.151 4.320 0.033 0.000 0.217 557 A C 2.063 179.626 177.584 -0.035 0.000 1.181 557 A CA 1.675 53.746 52.037 0.057 0.000 0.623 557 A CB -0.662 18.381 19.000 0.071 0.000 0.818 557 A HN 0.396 nan 8.150 nan 0.000 0.443 558 L N -0.482 120.671 121.223 -0.117 0.000 2.072 558 L HA -0.051 4.309 4.340 0.033 0.000 0.205 558 L C 2.433 179.248 176.870 -0.092 0.000 1.079 558 L CA 1.658 56.335 54.840 -0.271 0.000 0.752 558 L CB -1.243 40.585 42.059 -0.385 0.000 0.906 558 L HN 0.351 nan 8.230 nan 0.000 0.436 559 E N 0.274 120.420 120.200 -0.089 0.000 2.048 559 E HA -0.246 4.124 4.350 0.033 0.000 0.202 559 E C 2.227 178.744 176.600 -0.139 0.000 1.021 559 E CA 1.757 58.108 56.400 -0.082 0.000 0.825 559 E CB -0.243 29.384 29.700 -0.120 0.000 0.756 559 E HN 0.370 nan 8.360 nan 0.000 0.454 560 A N 0.896 123.524 122.820 -0.321 0.000 1.883 560 A HA -0.182 4.158 4.320 0.033 0.000 0.217 560 A C 2.600 180.052 177.584 -0.221 0.000 1.186 560 A CA 1.656 53.382 52.037 -0.519 0.000 0.624 560 A CB -0.897 17.231 19.000 -1.453 0.000 0.822 560 A HN 0.330 nan 8.150 nan 0.000 0.444 561 L N -0.936 120.265 121.223 -0.036 0.000 2.043 561 L HA -0.282 4.078 4.340 0.033 0.000 0.212 561 L C 3.124 180.096 176.870 0.170 0.000 1.075 561 L CA 1.203 56.154 54.840 0.184 0.000 0.752 561 L CB -0.613 41.623 42.059 0.295 0.000 0.891 561 L HN 0.508 nan 8.230 nan 0.000 0.432 562 A N 0.247 123.161 122.820 0.156 0.000 1.835 562 A HA -0.247 4.093 4.320 0.033 0.000 0.215 562 A C 2.249 179.865 177.584 0.053 0.000 1.199 562 A CA 1.743 53.849 52.037 0.115 0.000 0.615 562 A CB -0.671 18.393 19.000 0.108 0.000 0.838 562 A HN 0.317 nan 8.150 nan 0.000 0.444 563 R N -0.803 119.702 120.500 0.009 0.000 2.244 563 R HA -0.200 4.160 4.340 0.033 0.000 0.252 563 R C 1.721 178.035 176.300 0.023 0.000 1.177 563 R CA 1.650 57.746 56.100 -0.006 0.000 1.004 563 R CB -0.166 30.102 30.300 -0.053 0.000 0.873 563 R HN 0.578 nan 8.270 nan 0.000 0.469 564 E N -1.199 119.031 120.200 0.051 0.000 2.472 564 E HA 0.090 4.460 4.350 0.033 0.000 0.196 564 E C 0.704 177.359 176.600 0.092 0.000 1.033 564 E CA 0.628 57.083 56.400 0.092 0.000 0.886 564 E CB 0.821 30.612 29.700 0.153 0.000 0.944 564 E HN 0.370 nan 8.360 nan 0.000 0.492 565 G N 0.707 109.553 108.800 0.077 0.000 2.137 565 G HA2 -0.271 3.709 3.960 0.033 0.000 0.237 565 G HA3 -0.271 3.709 3.960 0.033 0.000 0.237 565 G C 0.086 175.027 174.900 0.068 0.000 1.002 565 G CA 0.341 45.478 45.100 0.062 0.000 0.702 565 G HN 0.231 nan 8.290 nan 0.000 0.515 566 I N 1.028 121.660 120.570 0.102 0.000 2.385 566 I HA 0.633 4.823 4.170 0.033 0.000 0.294 566 I C 0.844 177.028 176.117 0.112 0.000 0.988 566 I CA -0.465 60.898 61.300 0.104 0.000 1.265 566 I CB 1.762 39.846 38.000 0.140 0.000 1.388 566 I HN 0.273 nan 8.210 nan 0.000 0.480 567 A N 6.364 129.214 122.820 0.051 0.000 2.293 567 A HA 0.731 5.071 4.320 0.033 0.000 0.302 567 A C -0.981 176.650 177.584 0.078 0.000 1.119 567 A CA -0.183 51.841 52.037 -0.023 0.000 0.823 567 A CB 0.530 19.497 19.000 -0.054 0.000 1.097 567 A HN 0.736 nan 8.150 nan 0.000 0.491 568 Y N -1.036 119.295 120.300 0.052 0.000 2.597 568 Y HA 0.762 5.332 4.550 0.033 0.000 0.340 568 Y C -1.325 174.618 175.900 0.071 0.000 1.097 568 Y CA -1.346 56.793 58.100 0.065 0.000 1.037 568 Y CB 1.648 40.163 38.460 0.092 0.000 1.305 568 Y HN 0.484 nan 8.280 nan 0.000 0.463 569 D N 2.749 123.353 120.400 0.340 0.000 2.936 569 D HA 0.337 4.997 4.640 0.033 0.000 0.238 569 D C -1.474 174.905 176.300 0.133 0.000 1.248 569 D CA -0.369 53.773 54.000 0.236 0.000 0.903 569 D CB 3.217 44.030 40.800 0.022 0.000 1.544 569 D HN 0.616 nan 8.370 nan 0.000 0.543 570 L N 1.842 123.130 121.223 0.108 0.000 2.322 570 L HA 0.585 4.945 4.340 0.033 0.000 0.279 570 L C -1.027 175.789 176.870 -0.090 0.000 1.036 570 L CA -0.721 54.066 54.840 -0.087 0.000 0.807 570 L CB 1.703 43.638 42.059 -0.207 0.000 1.226 570 L HN 0.114 nan 8.230 nan 0.000 0.433 571 V N 2.549 122.377 119.914 -0.143 0.000 2.610 571 V HA 0.198 4.338 4.120 0.033 0.000 0.298 571 V C -0.120 175.899 176.094 -0.124 0.000 1.067 571 V CA -0.662 61.571 62.300 -0.112 0.000 0.894 571 V CB 1.876 33.642 31.823 -0.095 0.000 1.015 571 V HN 0.802 nan 8.190 nan 0.000 0.432 572 S N 3.390 119.015 115.700 -0.124 0.000 2.537 572 S HA 0.367 4.857 4.470 0.033 0.000 0.286 572 S C -0.043 174.489 174.600 -0.114 0.000 1.299 572 S CA -0.184 57.949 58.200 -0.111 0.000 1.067 572 S CB 0.901 64.040 63.200 -0.103 0.000 0.864 572 S HN 0.522 nan 8.310 nan 0.000 0.494 573 V N 5.426 125.292 119.914 -0.079 0.000 2.444 573 V HA 0.452 4.592 4.120 0.033 0.000 0.294 573 V C -0.074 175.984 176.094 -0.061 0.000 1.022 573 V CA -0.728 61.525 62.300 -0.079 0.000 0.850 573 V CB 1.367 33.167 31.823 -0.037 0.000 0.992 573 V HN 0.746 nan 8.190 nan 0.000 0.426 574 R N 3.258 123.711 120.500 -0.079 0.000 2.437 574 R HA 0.471 4.831 4.340 0.033 0.000 0.310 574 R C 0.380 176.652 176.300 -0.047 0.000 0.955 574 R CA -0.675 55.389 56.100 -0.060 0.000 0.851 574 R CB 2.162 32.418 30.300 -0.074 0.000 1.161 574 R HN 0.561 nan 8.270 nan 0.000 0.446 575 K N 0.563 120.947 120.400 -0.027 0.000 2.486 575 K HA -0.006 4.334 4.320 0.033 0.000 0.194 575 K C 0.462 177.051 176.600 -0.019 0.000 1.033 575 K CA 0.575 56.852 56.287 -0.017 0.000 1.004 575 K CB 0.306 32.804 32.500 -0.003 0.000 0.798 575 K HN 0.589 nan 8.250 nan 0.000 0.495 576 S N -2.333 113.351 115.700 -0.027 0.000 2.556 576 S HA 0.582 5.073 4.470 0.033 0.000 0.271 576 S C 0.382 174.959 174.600 -0.039 0.000 1.135 576 S CA -0.164 58.021 58.200 -0.025 0.000 0.858 576 S CB 2.025 65.215 63.200 -0.016 0.000 1.114 576 S HN 0.214 nan 8.310 nan 0.000 0.468 577 G N 0.865 109.642 108.800 -0.037 0.000 2.218 577 G HA2 -0.110 3.870 3.960 0.033 0.000 0.216 577 G HA3 -0.110 3.870 3.960 0.033 0.000 0.216 577 G C 0.922 175.789 174.900 -0.055 0.000 0.994 577 G CA 0.132 45.201 45.100 -0.051 0.000 0.637 577 G HN 1.747 nan 8.290 nan 0.000 0.505 578 G N 0.441 109.211 108.800 -0.050 0.000 2.920 578 G HA2 0.513 4.493 3.960 0.033 0.000 0.208 578 G HA3 0.513 4.493 3.960 0.033 0.000 0.208 578 G C 1.689 176.568 174.900 -0.036 0.000 1.159 578 G CA 1.592 46.661 45.100 -0.052 0.000 0.784 578 G HN 1.978 nan 8.290 nan 0.000 0.535 579 G N 0.140 108.928 108.800 -0.020 0.000 2.596 579 G HA2 -0.259 3.721 3.960 0.033 0.000 0.295 579 G HA3 -0.259 3.721 3.960 0.033 0.000 0.295 579 G C -0.056 174.817 174.900 -0.045 0.000 1.240 579 G CA 0.398 45.497 45.100 -0.003 0.000 0.985 579 G HN 0.714 nan 8.290 nan 0.000 0.555 580 R N -2.004 118.446 120.500 -0.082 0.000 2.867 580 R HA 0.796 5.156 4.340 0.033 0.000 0.268 580 R C -0.911 175.175 176.300 -0.357 0.000 1.014 580 R CA -0.443 55.513 56.100 -0.241 0.000 0.946 580 R CB 2.271 32.400 30.300 -0.285 0.000 1.208 580 R HN 0.794 nan 8.270 nan 0.000 0.477 581 V N 2.811 122.402 119.914 -0.538 0.000 2.623 581 V HA 0.503 4.643 4.120 0.033 0.000 0.304 581 V C -1.534 174.253 176.094 -0.512 0.000 1.054 581 V CA -0.683 61.372 62.300 -0.409 0.000 0.882 581 V CB 1.573 33.272 31.823 -0.208 0.000 1.002 581 V HN 0.613 nan 8.190 nan 0.000 0.424 582 Y N 5.108 125.450 120.300 0.069 0.000 2.524 582 Y HA 0.675 5.244 4.550 0.032 0.000 0.344 582 Y C -2.485 173.496 175.900 0.135 0.000 1.012 582 Y CA -3.148 55.023 58.100 0.117 0.000 1.068 582 Y CB 1.949 40.563 38.460 0.257 0.000 1.249 582 Y HN 0.412 nan 8.280 nan 0.000 0.468 583 P HA 0.163 nan 4.420 nan 0.000 0.284 583 P C 0.455 177.957 177.300 0.337 0.000 1.253 583 P CA -0.314 62.889 63.100 0.170 0.000 0.800 583 P CB 1.495 33.236 31.700 0.067 0.000 0.961 584 V N 0.476 120.485 119.914 0.159 0.000 2.427 584 V HA -0.061 4.079 4.120 0.033 0.000 0.248 584 V C 1.291 177.534 176.094 0.248 0.000 1.051 584 V CA 2.563 64.979 62.300 0.194 0.000 1.048 584 V CB -1.460 30.288 31.823 -0.126 0.000 0.666 584 V HN 0.790 nan 8.190 nan 0.000 0.456 585 Q N -2.230 117.667 119.800 0.162 0.000 2.522 585 Q HA 0.576 4.936 4.340 0.033 0.000 0.285 585 Q C 0.023 176.106 176.000 0.139 0.000 0.982 585 Q CA 0.333 56.230 55.803 0.158 0.000 0.805 585 Q CB 1.215 30.015 28.738 0.105 0.000 1.457 585 Q HN 1.390 nan 8.270 nan 0.000 0.394 586 G N -1.325 107.571 108.800 0.160 0.000 2.508 586 G HA2 0.551 4.531 3.960 0.033 0.000 0.220 586 G HA3 0.551 4.531 3.960 0.033 0.000 0.220 586 G C 0.168 175.193 174.900 0.208 0.000 1.287 586 G CA 0.943 46.127 45.100 0.141 0.000 0.916 586 G HN 2.232 nan 8.290 nan 0.000 0.574 587 R N -1.602 118.971 120.500 0.123 0.000 2.873 587 R HA 1.065 5.425 4.340 0.033 0.000 0.264 587 R C 0.642 176.869 176.300 -0.123 0.000 1.026 587 R CA 0.600 56.750 56.100 0.083 0.000 1.002 587 R CB 0.179 30.556 30.300 0.129 0.000 1.174 587 R HN 2.498 nan 8.270 nan 0.000 0.488 588 L N 0.822 121.829 121.223 -0.360 0.000 2.360 588 L HA 0.789 5.149 4.340 0.033 0.000 0.276 588 L C 0.970 177.735 176.870 -0.175 0.000 1.121 588 L CA -0.404 54.236 54.840 -0.333 0.000 0.845 588 L CB -0.214 41.533 42.059 -0.521 0.000 1.143 588 L HN 1.524 nan 8.230 nan 0.000 0.452 589 A N 2.196 124.944 122.820 -0.119 0.000 2.257 589 A HA 0.605 4.945 4.320 0.033 0.000 0.289 589 A C 0.112 177.651 177.584 -0.074 0.000 1.095 589 A CA -0.416 51.581 52.037 -0.066 0.000 0.836 589 A CB 0.269 19.242 19.000 -0.045 0.000 1.111 589 A HN 0.900 nan 8.150 nan 0.000 0.497 590 D N -0.233 120.151 120.400 -0.026 0.000 2.316 590 D HA 0.462 5.122 4.640 0.033 0.000 0.245 590 D C 0.743 176.929 176.300 -0.190 0.000 1.171 590 D CA 1.595 55.585 54.000 -0.017 0.000 0.856 590 D CB 0.629 41.509 40.800 0.134 0.000 1.090 590 D HN 1.104 nan 8.370 nan 0.000 0.476 591 G N 2.751 111.274 108.800 -0.463 0.000 2.155 591 G HA2 -0.189 3.791 3.960 0.033 0.000 0.135 591 G HA3 -0.189 3.791 3.960 0.033 0.000 0.135 591 G C -0.208 174.418 174.900 -0.456 0.000 1.023 591 G CA -0.697 43.787 45.100 -1.027 0.000 0.688 591 G HN 0.415 nan 8.290 nan 0.000 0.499 592 L N 1.228 122.309 121.223 -0.235 0.000 2.433 592 L HA 0.445 4.805 4.340 0.033 0.000 0.275 592 L C 0.445 177.333 176.870 0.030 0.000 1.128 592 L CA -0.606 54.187 54.840 -0.078 0.000 0.875 592 L CB 0.026 42.038 42.059 -0.080 0.000 1.171 592 L HN 0.321 nan 8.230 nan 0.000 0.463 593 Y N 4.588 124.875 120.300 -0.023 0.000 2.341 593 Y HA 0.564 5.134 4.550 0.032 0.000 0.340 593 Y C -0.546 175.415 175.900 0.101 0.000 0.997 593 Y CA -1.191 56.917 58.100 0.015 0.000 1.149 593 Y CB 1.153 39.557 38.460 -0.094 0.000 1.171 593 Y HN 0.230 nan 8.280 nan 0.000 0.494 594 V N 9.657 129.433 119.914 -0.230 0.000 2.315 594 V HA 0.310 4.450 4.120 0.033 0.000 0.265 594 V C -2.260 173.681 176.094 -0.255 0.000 1.019 594 V CA -1.930 60.221 62.300 -0.249 0.000 0.824 594 V CB 0.610 32.392 31.823 -0.067 0.000 1.072 594 V HN 0.728 nan 8.190 nan 0.000 0.448 595 P HA 0.154 nan 4.420 nan 0.000 0.269 595 P C -0.143 177.143 177.300 -0.023 0.000 1.205 595 P CA 0.654 63.653 63.100 -0.168 0.000 0.780 595 P CB 0.916 32.499 31.700 -0.193 0.000 0.858 596 L N -1.253 120.001 121.223 0.052 0.000 2.813 596 L HA 0.356 4.716 4.340 0.033 0.000 0.233 596 L C 0.509 177.408 176.870 0.048 0.000 1.313 596 L CA -1.000 53.865 54.840 0.041 0.000 1.390 596 L CB -0.005 42.078 42.059 0.040 0.000 1.671 596 L HN 0.268 nan 8.230 nan 0.000 0.481 597 E N 1.794 122.018 120.200 0.040 0.000 2.708 597 E HA -0.155 4.215 4.350 0.033 0.000 0.260 597 E C -0.788 175.841 176.600 0.048 0.000 0.937 597 E CA -0.002 56.419 56.400 0.034 0.000 0.953 597 E CB 0.449 30.157 29.700 0.013 0.000 0.915 597 E HN 0.413 nan 8.360 nan 0.000 0.487 598 D N 3.850 124.276 120.400 0.044 0.000 2.515 598 D HA -0.144 4.516 4.640 0.033 0.000 0.232 598 D C 0.045 176.382 176.300 0.063 0.000 1.157 598 D CA 0.690 54.723 54.000 0.056 0.000 0.871 598 D CB 0.485 41.303 40.800 0.031 0.000 1.200 598 D HN 0.525 nan 8.370 nan 0.000 0.466 599 K N -0.688 119.772 120.400 0.101 0.000 3.553 599 K HA -0.160 4.180 4.320 0.033 0.000 0.303 599 K C -0.025 176.661 176.600 0.142 0.000 1.327 599 K CA 1.330 57.683 56.287 0.110 0.000 0.983 599 K CB -2.746 29.773 32.500 0.032 0.000 1.275 599 K HN 0.718 nan 8.250 nan 0.000 0.453 600 T N -0.650 113.999 114.554 0.158 0.000 2.982 600 T HA 0.706 5.076 4.350 0.033 0.000 0.321 600 T C -1.261 173.565 174.700 0.210 0.000 1.229 600 T CA -0.591 61.571 62.100 0.102 0.000 1.044 600 T CB 1.358 70.219 68.868 -0.012 0.000 1.184 600 T HN 0.278 nan 8.240 nan 0.000 0.477 601 F N 2.191 122.181 119.950 0.067 0.000 2.645 601 F HA 0.815 5.363 4.527 0.034 0.000 0.310 601 F C -1.840 173.994 175.800 0.056 0.000 1.102 601 F CA -1.567 56.478 58.000 0.075 0.000 0.952 601 F CB 0.989 40.135 39.000 0.242 0.000 1.326 601 F HN 0.552 nan 8.300 nan 0.000 0.456 602 L N 2.290 123.627 121.223 0.189 0.000 2.399 602 L HA 0.699 5.059 4.340 0.033 0.000 0.265 602 L C -1.050 175.997 176.870 0.296 0.000 1.089 602 L CA -1.190 53.706 54.840 0.094 0.000 0.802 602 L CB 1.609 43.686 42.059 0.030 0.000 1.180 602 L HN 0.719 nan 8.230 nan 0.000 0.454 603 L N 2.388 123.710 121.223 0.166 0.000 2.476 603 L HA 0.440 4.800 4.340 0.033 0.000 0.269 603 L C -1.328 175.578 176.870 0.059 0.000 0.965 603 L CA -0.057 54.901 54.840 0.196 0.000 0.845 603 L CB 1.718 43.942 42.059 0.274 0.000 1.259 603 L HN 0.470 nan 8.230 nan 0.000 0.403 604 L N 5.074 126.294 121.223 -0.006 0.000 2.360 604 L HA 0.349 4.709 4.340 0.033 0.000 0.265 604 L C 0.780 177.613 176.870 -0.060 0.000 1.066 604 L CA 0.089 54.902 54.840 -0.045 0.000 0.929 604 L CB 1.123 43.133 42.059 -0.083 0.000 1.306 604 L HN 0.942 nan 8.230 nan 0.000 0.434 605 T N 0.147 114.718 114.554 0.027 0.000 3.081 605 T HA 0.115 4.485 4.350 0.033 0.000 0.255 605 T C 0.350 175.166 174.700 0.193 0.000 1.113 605 T CA 0.079 62.271 62.100 0.155 0.000 1.082 605 T CB 0.442 69.438 68.868 0.213 0.000 0.939 605 T HN 0.264 nan 8.240 nan 0.000 0.506 606 V N -0.477 119.495 119.914 0.097 0.000 3.000 606 V HA 0.623 4.763 4.120 0.033 0.000 0.300 606 V C -0.448 175.674 176.094 0.047 0.000 1.251 606 V CA 0.228 62.592 62.300 0.106 0.000 0.972 606 V CB 1.643 33.534 31.823 0.114 0.000 1.065 606 V HN 0.499 nan 8.190 nan 0.000 0.431 607 H N 2.734 121.833 119.070 0.048 0.000 3.726 607 H HA 0.768 5.344 4.556 0.033 0.000 0.262 607 H C 0.770 176.125 175.328 0.045 0.000 1.181 607 H CA 1.442 57.498 56.048 0.014 0.000 1.143 607 H CB -0.250 29.483 29.762 -0.050 0.000 1.627 607 H HN 1.283 nan 8.280 nan 0.000 0.750 612 G N -0.023 108.842 108.800 0.108 0.000 2.529 612 G HA2 0.418 4.398 3.960 0.033 0.000 0.220 612 G HA3 0.418 4.398 3.960 0.033 0.000 0.220 612 G C 0.058 175.074 174.900 0.194 0.000 1.976 612 G CA 1.081 46.267 45.100 0.143 0.000 0.789 612 G HN 0.812 nan 8.290 nan 0.000 0.695 613 T N 2.810 117.468 114.554 0.172 0.000 2.758 613 T HA 0.559 4.929 4.350 0.033 0.000 0.285 613 T C -2.659 172.094 174.700 0.088 0.000 0.981 613 T CA -0.726 61.484 62.100 0.184 0.000 0.965 613 T CB 1.885 70.885 68.868 0.220 0.000 0.927 613 T HN 0.044 nan 8.240 nan 0.000 0.448 614 P HA 0.312 nan 4.420 nan 0.000 0.271 614 P C -0.466 176.815 177.300 -0.031 0.000 1.216 614 P CA -0.491 62.602 63.100 -0.011 0.000 0.771 614 P CB 0.519 32.181 31.700 -0.063 0.000 0.864 615 R N 4.301 124.792 120.500 -0.016 0.000 2.215 615 R HA 0.366 4.726 4.340 0.033 0.000 0.337 615 R C -2.218 174.064 176.300 -0.030 0.000 1.010 615 R CA -1.651 54.434 56.100 -0.023 0.000 0.871 615 R CB 0.321 30.619 30.300 -0.004 0.000 1.134 615 R HN 0.385 nan 8.270 nan 0.000 0.477 616 P HA 0.040 nan 4.420 nan 0.000 0.275 616 P C -0.197 177.083 177.300 -0.034 0.000 1.227 616 P CA -0.265 62.811 63.100 -0.040 0.000 0.781 616 P CB 0.663 32.330 31.700 -0.055 0.000 0.906 617 L N 2.057 123.266 121.223 -0.023 0.000 2.467 617 L HA 0.177 4.537 4.340 0.033 0.000 0.270 617 L C 1.018 177.838 176.870 -0.084 0.000 1.205 617 L CA 0.234 55.048 54.840 -0.044 0.000 0.828 617 L CB 0.019 42.060 42.059 -0.030 0.000 1.101 617 L HN 0.400 nan 8.230 nan 0.000 0.479 618 K N 2.714 123.042 120.400 -0.120 0.000 2.413 618 K HA 0.584 4.924 4.320 0.033 0.000 0.257 618 K C -1.623 174.820 176.600 -0.262 0.000 0.946 618 K CA -0.660 55.522 56.287 -0.176 0.000 0.823 618 K CB 1.198 33.623 32.500 -0.126 0.000 1.109 618 K HN 0.334 nan 8.250 nan 0.000 0.427 619 L N 3.777 124.713 121.223 -0.478 0.000 2.346 619 L HA 0.492 4.852 4.340 0.033 0.000 0.276 619 L C -0.931 175.658 176.870 -0.469 0.000 1.006 619 L CA -0.922 53.572 54.840 -0.578 0.000 0.817 619 L CB 2.065 43.508 42.059 -1.026 0.000 1.272 619 L HN 0.262 nan 8.230 nan 0.000 0.421 620 V N 1.085 120.856 119.914 -0.238 0.000 2.407 620 V HA 0.230 4.370 4.120 0.033 0.000 0.291 620 V C -0.226 175.880 176.094 0.020 0.000 1.018 620 V CA -0.630 61.614 62.300 -0.092 0.000 0.842 620 V CB 1.160 32.936 31.823 -0.078 0.000 0.996 620 V HN 0.721 nan 8.190 nan 0.000 0.426 621 H N 3.137 122.214 119.070 0.012 0.000 3.232 621 H HA 0.099 4.675 4.556 0.034 0.000 0.254 621 H C 0.999 176.330 175.328 0.005 0.000 1.213 621 H CA -0.190 55.886 56.048 0.046 0.000 1.503 621 H CB 0.620 30.450 29.762 0.114 0.000 1.563 621 H HN 0.744 nan 8.280 nan 0.000 0.490 622 E N 3.391 123.714 120.200 0.205 0.000 2.170 622 E HA 0.192 4.562 4.350 0.033 0.000 0.191 622 E C -0.530 176.119 176.600 0.082 0.000 0.981 622 E CA 0.788 57.227 56.400 0.065 0.000 0.830 622 E CB 0.515 30.186 29.700 -0.048 0.000 0.775 622 E HN 0.683 nan 8.360 nan 0.000 0.470 623 A N -1.361 121.588 122.820 0.215 0.000 2.594 623 A HA 0.670 5.010 4.320 0.033 0.000 0.296 623 A C -0.318 177.481 177.584 0.359 0.000 1.061 623 A CA -0.307 51.849 52.037 0.199 0.000 0.689 623 A CB 0.926 20.049 19.000 0.205 0.000 1.280 623 A HN 0.377 nan 8.150 nan 0.000 0.406 624 G N 0.942 109.864 108.800 0.203 0.000 2.629 624 G HA2 0.414 4.394 3.960 0.033 0.000 0.686 624 G HA3 0.414 4.394 3.960 0.033 0.000 0.686 624 G C -0.616 174.306 174.900 0.036 0.000 1.232 624 G CA 0.517 45.703 45.100 0.145 0.000 0.803 624 G HN 2.060 nan 8.290 nan 0.000 0.638 625 D N -0.807 119.600 120.400 0.012 0.000 2.670 625 D HA 0.359 5.019 4.640 0.033 0.000 0.255 625 D C 0.771 177.100 176.300 0.048 0.000 1.286 625 D CA 0.168 54.154 54.000 -0.022 0.000 0.830 625 D CB 0.257 41.019 40.800 -0.063 0.000 1.065 625 D HN 0.467 nan 8.370 nan 0.000 0.486 626 T N 1.797 116.454 114.554 0.171 0.000 2.910 626 T HA 0.397 4.767 4.350 0.033 0.000 0.293 626 T C -2.427 172.347 174.700 0.122 0.000 1.015 626 T CA -1.023 61.142 62.100 0.108 0.000 1.094 626 T CB 1.307 70.214 68.868 0.065 0.000 0.968 626 T HN 0.059 nan 8.240 nan 0.000 0.521 627 P HA 0.212 nan 4.420 nan 0.000 0.275 627 P C 0.737 177.997 177.300 -0.066 0.000 1.227 627 P CA -0.522 62.569 63.100 -0.014 0.000 0.781 627 P CB 0.477 32.136 31.700 -0.068 0.000 0.906 628 L N 2.557 123.753 121.223 -0.045 0.000 2.054 628 L HA -0.276 4.084 4.340 0.033 0.000 0.220 628 L C 2.017 178.470 176.870 -0.696 0.000 1.081 628 L CA 2.108 56.807 54.840 -0.234 0.000 0.780 628 L CB -1.385 40.629 42.059 -0.075 0.000 0.893 628 L HN 0.436 nan 8.230 nan 0.000 0.438 629 E N -0.989 118.818 120.200 -0.655 0.000 2.153 629 E HA -0.163 4.207 4.350 0.033 0.000 0.194 629 E C 2.256 178.508 176.600 -0.579 0.000 0.988 629 E CA 1.243 57.085 56.400 -0.930 0.000 0.811 629 E CB -0.433 28.940 29.700 -0.544 0.000 0.746 629 E HN 0.538 nan 8.360 nan 0.000 0.466 630 A N 0.563 123.178 122.820 -0.342 0.000 1.854 630 A HA -0.103 4.237 4.320 0.033 0.000 0.214 630 A C 2.184 179.694 177.584 -0.122 0.000 1.192 630 A CA 1.010 52.944 52.037 -0.171 0.000 0.611 630 A CB -0.710 18.224 19.000 -0.109 0.000 0.832 630 A HN 0.186 nan 8.150 nan 0.000 0.442 631 L N -0.503 120.615 121.223 -0.176 0.000 2.013 631 L HA -0.267 4.093 4.340 0.033 0.000 0.212 631 L C 3.034 179.836 176.870 -0.114 0.000 1.073 631 L CA 1.344 56.110 54.840 -0.124 0.000 0.753 631 L CB -0.631 41.354 42.059 -0.123 0.000 0.890 631 L HN 0.446 nan 8.230 nan 0.000 0.432 632 A N -1.484 121.111 122.820 -0.377 0.000 2.070 632 A HA -0.242 4.098 4.320 0.033 0.000 0.220 632 A C 2.220 179.760 177.584 -0.073 0.000 1.159 632 A CA 1.468 53.297 52.037 -0.347 0.000 0.656 632 A CB -0.845 17.503 19.000 -1.086 0.000 0.800 632 A HN 0.564 nan 8.150 nan 0.000 0.453 633 H N -0.950 118.001 119.070 -0.198 0.000 2.284 633 H HA -0.088 4.488 4.556 0.034 0.000 0.304 633 H C 2.254 177.548 175.328 -0.057 0.000 1.069 633 H CA 1.682 57.668 56.048 -0.104 0.000 1.327 633 H CB -0.097 29.552 29.762 -0.188 0.000 1.387 633 H HN 0.593 nan 8.280 nan 0.000 0.498 634 Q N 0.544 120.254 119.800 -0.150 0.000 2.030 634 Q HA -0.146 4.214 4.340 0.033 0.000 0.204 634 Q C 2.639 178.545 176.000 -0.157 0.000 0.986 634 Q CA 2.125 57.793 55.803 -0.225 0.000 0.843 634 Q CB 0.013 28.682 28.738 -0.116 0.000 0.904 634 Q HN 0.533 nan 8.270 nan 0.000 0.420 635 I N 0.062 120.615 120.570 -0.028 0.000 2.151 635 I HA -0.296 3.894 4.170 0.033 0.000 0.243 635 I C 2.226 178.399 176.117 0.093 0.000 1.080 635 I CA 1.214 62.536 61.300 0.037 0.000 1.339 635 I CB -0.475 37.593 38.000 0.114 0.000 1.039 635 I HN 0.305 nan 8.210 nan 0.000 0.409 636 F N 1.669 121.628 119.950 0.016 0.000 2.095 636 F HA -0.264 4.282 4.527 0.031 0.000 0.298 636 F C 2.612 178.423 175.800 0.018 0.000 1.104 636 F CA 1.798 59.823 58.000 0.042 0.000 1.232 636 F CB -0.853 38.212 39.000 0.109 0.000 0.987 636 F HN 0.141 nan 8.300 nan 0.000 0.475 637 H N -0.209 118.620 119.070 -0.401 0.000 2.326 637 H HA -0.111 4.466 4.556 0.033 0.000 0.301 637 H C 2.420 177.477 175.328 -0.452 0.000 1.081 637 H CA 1.462 57.187 56.048 -0.539 0.000 1.334 637 H CB -0.397 29.137 29.762 -0.379 0.000 1.385 637 H HN 0.274 nan 8.280 nan 0.000 0.504 638 L N 0.369 121.463 121.223 -0.215 0.000 2.189 638 L HA -0.201 4.159 4.340 0.033 0.000 0.214 638 L C 2.526 179.303 176.870 -0.155 0.000 1.097 638 L CA 0.912 55.640 54.840 -0.186 0.000 0.764 638 L CB -0.512 41.463 42.059 -0.140 0.000 0.900 638 L HN 0.272 nan 8.230 nan 0.000 0.436 639 T N -0.695 113.741 114.554 -0.197 0.000 2.822 639 T HA -0.220 4.150 4.350 0.033 0.000 0.270 639 T C 1.734 176.292 174.700 -0.236 0.000 1.064 639 T CA 1.398 63.384 62.100 -0.189 0.000 1.131 639 T CB -0.121 68.631 68.868 -0.192 0.000 0.858 639 T HN 0.213 nan 8.240 nan 0.000 0.483 640 R N -0.082 120.168 120.500 -0.416 0.000 2.362 640 R HA 0.406 4.766 4.340 0.033 0.000 0.227 640 R C 1.791 178.046 176.300 -0.075 0.000 0.905 640 R CA -0.029 55.768 56.100 -0.505 0.000 1.067 640 R CB -0.164 29.530 30.300 -1.010 0.000 1.078 640 R HN 0.313 nan 8.270 nan 0.000 0.516 641 L N -0.463 120.733 121.223 -0.046 0.000 2.313 641 L HA 0.093 4.453 4.340 0.033 0.000 0.214 641 L C 0.021 176.942 176.870 0.086 0.000 1.119 641 L CA 0.277 55.110 54.840 -0.012 0.000 0.809 641 L CB 0.049 42.081 42.059 -0.045 0.000 0.933 641 L HN 0.212 nan 8.230 nan 0.000 0.449 642 Y N 2.995 123.328 120.300 0.055 0.000 2.677 642 Y HA 0.032 4.604 4.550 0.036 0.000 0.335 642 Y C -1.337 174.611 175.900 0.080 0.000 1.162 642 Y CA -1.923 56.233 58.100 0.095 0.000 1.483 642 Y CB 0.565 39.109 38.460 0.141 0.000 1.209 642 Y HN 0.038 nan 8.280 nan 0.000 0.528 643 P HA -0.029 nan 4.420 nan 0.000 0.227 643 P C 0.561 177.673 177.300 -0.312 0.000 1.161 643 P CA 1.363 64.292 63.100 -0.284 0.000 0.788 643 P CB 0.276 31.813 31.700 -0.273 0.000 0.822 644 A N -0.613 121.863 122.820 -0.573 0.000 2.275 644 A HA 0.161 4.501 4.320 0.033 0.000 0.212 644 A C 2.271 179.905 177.584 0.083 0.000 1.201 644 A CA 0.610 52.516 52.037 -0.219 0.000 0.843 644 A CB -0.770 18.104 19.000 -0.210 0.000 0.873 644 A HN 0.168 nan 8.150 nan 0.000 0.492 645 S N -1.784 114.032 115.700 0.193 0.000 2.486 645 S HA 0.327 4.817 4.470 0.033 0.000 0.220 645 S C 1.762 176.405 174.600 0.070 0.000 1.011 645 S CA 1.432 59.768 58.200 0.227 0.000 0.921 645 S CB -0.175 63.201 63.200 0.294 0.000 0.785 645 S HN 1.436 nan 8.310 nan 0.000 0.517 646 G N 0.935 109.685 108.800 -0.084 0.000 4.300 646 G HA2 -0.335 3.645 3.960 0.033 0.000 0.222 646 G HA3 -0.335 3.645 3.960 0.033 0.000 0.222 646 G C 0.568 175.088 174.900 -0.633 0.000 1.344 646 G CA 0.996 45.896 45.100 -0.333 0.000 1.014 646 G HN 0.617 nan 8.290 nan 0.000 0.641 647 F N 2.256 122.119 119.950 -0.145 0.000 2.735 647 F HA 0.752 5.298 4.527 0.033 0.000 0.308 647 F C 0.799 176.445 175.800 -0.257 0.000 1.112 647 F CA 0.362 58.259 58.000 -0.171 0.000 1.235 647 F CB 1.199 40.144 39.000 -0.093 0.000 1.027 647 F HN 0.726 nan 8.300 nan 0.000 0.528 648 A N -0.138 122.542 122.820 -0.233 0.000 2.590 648 A HA 0.631 4.971 4.320 0.033 0.000 0.296 648 A C -1.521 175.855 177.584 -0.348 0.000 1.050 648 A CA -0.627 51.245 52.037 -0.274 0.000 0.697 648 A CB 0.468 19.428 19.000 -0.066 0.000 1.277 648 A HN 0.057 nan 8.150 nan 0.000 0.411 649 F N 1.303 121.260 119.950 0.011 0.000 2.399 649 F HA 0.599 5.146 4.527 0.033 0.000 0.328 649 F C -1.882 173.859 175.800 -0.097 0.000 1.084 649 F CA -1.800 56.184 58.000 -0.028 0.000 1.053 649 F CB 1.214 40.189 39.000 -0.042 0.000 1.209 649 F HN 0.287 nan 8.300 nan 0.000 0.502 650 P HA 0.200 nan 4.420 nan 0.000 0.275 650 P C 0.396 177.608 177.300 -0.146 0.000 1.227 650 P CA -0.505 62.406 63.100 -0.315 0.000 0.781 650 P CB 0.842 31.962 31.700 -0.967 0.000 0.906 651 R N 1.427 121.861 120.500 -0.110 0.000 2.211 651 R HA -0.081 4.279 4.340 0.033 0.000 0.240 651 R C -0.009 176.271 176.300 -0.033 0.000 1.144 651 R CA 1.082 57.164 56.100 -0.030 0.000 0.992 651 R CB -0.336 29.955 30.300 -0.015 0.000 0.869 651 R HN 0.387 nan 8.270 nan 0.000 0.462 652 L N 0.957 122.118 121.223 -0.104 0.000 2.334 652 L HA 0.438 4.798 4.340 0.033 0.000 0.273 652 L C -2.190 174.652 176.870 -0.047 0.000 1.013 652 L CA -2.755 52.057 54.840 -0.047 0.000 0.816 652 L CB 1.586 43.641 42.059 -0.006 0.000 1.278 652 L HN -0.097 nan 8.230 nan 0.000 0.431 653 P HA -0.116 nan 4.420 nan 0.000 0.263 653 P C 0.246 177.567 177.300 0.037 0.000 1.168 653 P CA 0.250 63.350 63.100 -0.000 0.000 0.759 653 P CB 0.569 32.275 31.700 0.011 0.000 0.782 654 A N 5.924 128.778 122.820 0.057 0.000 1.917 654 A HA -0.166 4.174 4.320 0.033 0.000 0.219 654 A C -0.417 177.269 177.584 0.171 0.000 1.182 654 A CA 1.976 54.117 52.037 0.174 0.000 0.633 654 A CB -2.434 16.673 19.000 0.179 0.000 0.819 654 A HN 0.468 nan 8.150 nan 0.000 0.448 655 P HA -0.106 nan 4.420 nan 0.000 0.218 655 P C 1.379 178.714 177.300 0.058 0.000 1.148 655 P CA 0.851 63.992 63.100 0.068 0.000 0.822 655 P CB -0.077 31.638 31.700 0.025 0.000 0.784 656 L N -2.566 118.696 121.223 0.066 0.000 2.209 656 L HA -0.077 4.283 4.340 0.033 0.000 0.207 656 L C 2.560 179.471 176.870 0.069 0.000 1.094 656 L CA 0.904 55.778 54.840 0.057 0.000 0.790 656 L CB -0.783 41.312 42.059 0.060 0.000 0.932 656 L HN 0.021 nan 8.230 nan 0.000 0.447 657 H N 0.453 119.505 119.070 -0.030 0.000 2.353 657 H HA -0.132 4.440 4.556 0.028 0.000 0.300 657 H C 2.143 177.459 175.328 -0.019 0.000 1.090 657 H CA 1.666 57.661 56.048 -0.088 0.000 1.327 657 H CB 0.019 29.645 29.762 -0.226 0.000 1.383 657 H HN 0.120 nan 8.280 nan 0.000 0.508 658 L N -0.614 120.691 121.223 0.136 0.000 1.994 658 L HA -0.155 4.205 4.340 0.033 0.000 0.208 658 L C 2.800 179.544 176.870 -0.211 0.000 1.071 658 L CA 1.157 56.092 54.840 0.159 0.000 0.745 658 L CB -0.706 41.542 42.059 0.316 0.000 0.892 658 L HN 0.369 nan 8.230 nan 0.000 0.431 659 A N -0.103 122.624 122.820 -0.155 0.000 1.978 659 A HA -0.304 4.036 4.320 0.033 0.000 0.220 659 A C 1.917 179.349 177.584 -0.253 0.000 1.170 659 A CA 2.179 54.078 52.037 -0.230 0.000 0.636 659 A CB -0.690 18.243 19.000 -0.111 0.000 0.810 659 A HN 0.538 nan 8.150 nan 0.000 0.448 660 D N -0.878 119.408 120.400 -0.189 0.000 2.097 660 D HA -0.172 4.488 4.640 0.033 0.000 0.197 660 D C 2.127 178.287 176.300 -0.234 0.000 0.984 660 D CA 1.211 55.113 54.000 -0.162 0.000 0.826 660 D CB -0.040 40.690 40.800 -0.117 0.000 0.973 660 D HN 0.165 nan 8.370 nan 0.000 0.460 661 R N 0.009 120.322 120.500 -0.312 0.000 2.083 661 R HA -0.108 4.252 4.340 0.033 0.000 0.237 661 R C 2.416 178.408 176.300 -0.513 0.000 1.137 661 R CA 0.818 56.747 56.100 -0.286 0.000 0.951 661 R CB -1.459 28.801 30.300 -0.068 0.000 0.851 661 R HN 0.368 nan 8.270 nan 0.000 0.434 662 L N 0.540 121.127 121.223 -1.062 0.000 2.046 662 L HA -0.090 4.270 4.340 0.033 0.000 0.208 662 L C 2.147 178.702 176.870 -0.526 0.000 1.077 662 L CA 1.468 55.553 54.840 -1.258 0.000 0.747 662 L CB -0.386 40.860 42.059 -1.355 0.000 0.896 662 L HN -0.116 nan 8.230 nan 0.000 0.432 663 V N -0.273 119.433 119.914 -0.346 0.000 2.427 663 V HA -0.246 3.894 4.120 0.033 0.000 0.248 663 V C 2.576 178.615 176.094 -0.091 0.000 1.051 663 V CA 1.934 64.144 62.300 -0.150 0.000 1.048 663 V CB -0.531 31.259 31.823 -0.056 0.000 0.666 663 V HN 0.480 nan 8.190 nan 0.000 0.456 664 K N -0.579 119.760 120.400 -0.102 0.000 2.057 664 K HA -0.145 4.195 4.320 0.033 0.000 0.206 664 K C 2.233 178.830 176.600 -0.005 0.000 1.050 664 K CA 1.210 57.476 56.287 -0.034 0.000 0.935 664 K CB -0.162 32.327 32.500 -0.018 0.000 0.715 664 K HN 0.337 nan 8.250 nan 0.000 0.439 665 E N 0.690 120.876 120.200 -0.024 0.000 2.072 665 E HA -0.132 4.238 4.350 0.033 0.000 0.191 665 E C 2.069 178.689 176.600 0.032 0.000 0.985 665 E CA 0.902 57.342 56.400 0.066 0.000 0.801 665 E CB -0.104 29.692 29.700 0.160 0.000 0.750 665 E HN 0.029 nan 8.360 nan 0.000 0.452 666 V N 0.439 120.301 119.914 -0.087 0.000 2.759 666 V HA -0.156 3.984 4.120 0.033 0.000 0.256 666 V C 2.140 178.099 176.094 -0.224 0.000 1.080 666 V CA 1.763 63.914 62.300 -0.248 0.000 1.101 666 V CB -0.460 31.037 31.823 -0.544 0.000 0.698 666 V HN 0.298 nan 8.190 nan 0.000 0.477 667 G N -0.879 107.901 108.800 -0.034 0.000 2.539 667 G HA2 -0.119 3.861 3.960 0.033 0.000 0.215 667 G HA3 -0.119 3.861 3.960 0.033 0.000 0.215 667 G C 1.670 176.628 174.900 0.096 0.000 1.141 667 G CA 0.098 45.282 45.100 0.140 0.000 0.806 667 G HN 0.363 nan 8.290 nan 0.000 0.533 668 R N -0.321 120.224 120.500 0.075 0.000 2.092 668 R HA 0.061 4.421 4.340 0.033 0.000 0.231 668 R C 1.338 177.707 176.300 0.115 0.000 1.119 668 R CA 1.238 57.398 56.100 0.100 0.000 0.970 668 R CB -0.067 30.341 30.300 0.180 0.000 0.864 668 R HN 0.465 nan 8.270 nan 0.000 0.440 669 L N -4.569 116.719 121.223 0.108 0.000 3.573 669 L HA 0.554 4.914 4.340 0.033 0.000 0.335 669 L C 0.022 177.006 176.870 0.190 0.000 1.321 669 L CA 0.089 54.999 54.840 0.116 0.000 1.009 669 L CB 0.721 42.804 42.059 0.040 0.000 1.417 669 L HN 0.115 nan 8.230 nan 0.000 0.619 670 G N 0.258 109.149 108.800 0.153 0.000 2.755 670 G HA2 -0.239 3.741 3.960 0.033 0.000 0.686 670 G HA3 -0.239 3.741 3.960 0.033 0.000 0.686 670 G C 0.224 175.155 174.900 0.052 0.000 1.427 670 G CA -0.009 45.183 45.100 0.152 0.000 0.873 670 G HN 0.352 nan 8.290 nan 0.000 0.580 671 I N 0.872 121.439 120.570 -0.006 0.000 3.228 671 I HA 0.023 4.213 4.170 0.033 0.000 0.279 671 I C 2.802 178.882 176.117 -0.061 0.000 1.221 671 I CA 0.997 62.264 61.300 -0.055 0.000 1.458 671 I CB -0.222 37.776 38.000 -0.002 0.000 1.105 671 I HN 0.733 nan 8.210 nan 0.000 0.445 672 R N 0.037 120.447 120.500 -0.149 0.000 2.170 672 R HA -0.221 4.139 4.340 0.033 0.000 0.242 672 R C 1.502 177.622 176.300 -0.301 0.000 1.145 672 R CA 1.628 57.575 56.100 -0.256 0.000 0.984 672 R CB -1.040 29.050 30.300 -0.349 0.000 0.869 672 R HN 0.511 nan 8.270 nan 0.000 0.455 673 H N 0.803 119.844 119.070 -0.049 0.000 2.535 673 H HA 0.116 4.692 4.556 0.034 0.000 0.273 673 H C 2.010 177.274 175.328 -0.108 0.000 0.983 673 H CA 0.774 56.775 56.048 -0.080 0.000 1.238 673 H CB 0.189 29.886 29.762 -0.107 0.000 1.412 673 H HN 0.253 nan 8.280 nan 0.000 0.562 674 L N 0.733 121.948 121.223 -0.014 0.000 2.478 674 L HA -0.026 4.334 4.340 0.033 0.000 0.223 674 L C 2.462 179.383 176.870 0.085 0.000 1.140 674 L CA 0.393 55.221 54.840 -0.020 0.000 0.842 674 L CB -0.248 41.812 42.059 0.003 0.000 0.953 674 L HN 0.077 nan 8.230 nan 0.000 0.452 675 K N 1.281 121.712 120.400 0.051 0.000 2.173 675 K HA -0.230 4.110 4.320 0.033 0.000 0.207 675 K C 1.244 177.875 176.600 0.052 0.000 1.046 675 K CA 1.573 57.893 56.287 0.054 0.000 0.929 675 K CB 0.152 32.665 32.500 0.021 0.000 0.720 675 K HN 0.123 nan 8.250 nan 0.000 0.453 676 E N -0.190 120.034 120.200 0.041 0.000 2.569 676 E HA 0.138 4.508 4.350 0.033 0.000 0.205 676 E C -1.474 175.151 176.600 0.042 0.000 1.006 676 E CA -0.185 56.232 56.400 0.029 0.000 0.985 676 E CB 1.137 30.842 29.700 0.007 0.000 1.060 676 E HN -0.021 nan 8.360 nan 0.000 0.460 677 V N 1.415 121.388 119.914 0.098 0.000 2.483 677 V HA 0.236 4.376 4.120 0.033 0.000 0.295 677 V C -0.216 176.001 176.094 0.206 0.000 1.035 677 V CA -1.123 61.273 62.300 0.160 0.000 0.896 677 V CB 1.787 33.724 31.823 0.189 0.000 0.986 677 V HN 0.067 nan 8.190 nan 0.000 0.447 678 D N 3.601 124.082 120.400 0.135 0.000 2.383 678 D HA 0.176 4.836 4.640 0.033 0.000 0.252 678 D C 1.204 177.444 176.300 -0.101 0.000 1.166 678 D CA -0.107 53.894 54.000 0.001 0.000 0.879 678 D CB 0.986 41.779 40.800 -0.011 0.000 1.164 678 D HN 0.379 nan 8.370 nan 0.000 0.462 679 R N 1.731 121.928 120.500 -0.505 0.000 2.303 679 R HA -0.167 4.193 4.340 0.033 0.000 0.225 679 R C 1.232 177.158 176.300 -0.623 0.000 1.114 679 R CA 0.830 56.233 56.100 -1.163 0.000 1.007 679 R CB 0.133 29.885 30.300 -0.913 0.000 0.861 679 R HN 0.502 nan 8.270 nan 0.000 0.471 680 E N 0.656 120.705 120.200 -0.252 0.000 2.442 680 E HA 0.012 4.382 4.350 0.033 0.000 0.195 680 E C -0.327 176.265 176.600 -0.015 0.000 1.030 680 E CA 0.269 56.584 56.400 -0.142 0.000 0.869 680 E CB 0.425 30.024 29.700 -0.167 0.000 0.857 680 E HN 0.067 nan 8.360 nan 0.000 0.505 681 K N 1.213 121.687 120.400 0.122 0.000 2.268 681 K HA 0.231 4.571 4.320 0.033 0.000 0.276 681 K C -0.450 176.302 176.600 0.253 0.000 1.080 681 K CA -0.218 56.170 56.287 0.168 0.000 0.910 681 K CB 0.962 33.574 32.500 0.186 0.000 1.163 681 K HN 0.080 nan 8.250 nan 0.000 0.465 682 L N 6.214 127.405 121.223 -0.053 0.000 2.416 682 L HA 0.046 4.406 4.340 0.033 0.000 0.243 682 L C 1.060 177.456 176.870 -0.790 0.000 1.373 682 L CA -0.139 54.392 54.840 -0.515 0.000 1.227 682 L CB -0.932 40.835 42.059 -0.486 0.000 1.428 682 L HN 0.736 nan 8.230 nan 0.000 0.425 683 F N -0.099 119.515 119.950 -0.559 0.000 2.333 683 F HA -0.191 4.356 4.527 0.034 0.000 0.300 683 F C 1.650 177.240 175.800 -0.350 0.000 1.083 683 F CA 0.545 58.333 58.000 -0.352 0.000 1.395 683 F CB -0.708 38.175 39.000 -0.195 0.000 1.056 683 F HN 0.235 nan 8.300 nan 0.000 0.529 684 F N 0.924 120.432 119.950 -0.737 0.000 2.765 684 F HA 0.402 4.947 4.527 0.030 0.000 0.302 684 F C 0.727 176.399 175.800 -0.214 0.000 1.111 684 F CA -1.267 56.446 58.000 -0.480 0.000 1.359 684 F CB -1.796 36.743 39.000 -0.768 0.000 1.097 684 F HN -0.023 nan 8.300 nan 0.000 0.577 685 V N 0.000 119.751 119.914 -0.272 0.000 2.409 685 V HA 0.000 4.140 4.120 0.033 0.000 0.244 685 V CA 0.000 62.286 62.300 -0.024 0.000 1.235 685 V CB 0.000 31.742 31.823 -0.135 0.000 1.184 685 V HN 0.000 nan 8.190 nan 0.000 0.556