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 1blf_1_A DATA FIRST_RESID 5 DATA SEQUENCE NVRWcTISQP EWFKcRRWQW RMKKLGAPSI TcVRRAFALE cIRAIAEKKA DATA SEQUENCE DAVTLDGGMV FEAGRDPYKL RPVAAEIYGT KESPQTHYYA VAVVKKGSNF DATA SEQUENCE QLDQLQGRKS cHTGLGRSAG WIIPMGILRP YLSWTESLEP LQGAVAKFFS DATA SEQUENCE AScVPcIDRQ AYPNLcQLcK GEGENQcAcS SREPYFGYSG AFKcLQDGAG DATA SEQUENCE DVAFVKETTV FENLPEKADR DQYELLcLNN SRAPVDAFKE cHLAQVPSHA DATA SEQUENCE VVARSVDGKE DLIWKLLSKA QEKFGKNKSR SFQLFGSPPG QRDLLFKDSA DATA SEQUENCE LGFLRIPSKV DSALYLGSRY LTTLKNLRET AEEVKARYTR VVWcAVGPEE DATA SEQUENCE QKKcQQWSQQ SGQNVTcATA STTDDcIVLV LKGEADALNL DGGYIYTAGK DATA SEQUENCE cGLVPVLAEN RKSSKHSSLD cVLRPTEGYL AVAVVKKANE GLTWNSLKDK DATA SEQUENCE KScHTAVDRT AGWNIPMGLI VNQTGScAFD EFFSQScAPG ADPKSRLcAL DATA SEQUENCE cAGDDQGLDK cVPNSKEKYY GYTGAFRcLA EDVGDVAFVK NDTVWENTNG DATA SEQUENCE ESTADWAKNL NREDFRLLcL DGTRKPVTEA QScHLAVAPN HAVVSRSDRA DATA SEQUENCE AHVKQVLLHQ QALFGKNGKN cPDKFcLFKS ETKNLLFNDN TEcLAKLGGR DATA SEQUENCE PTYEEYLGTE YVTAIANLKK cSTSPLLEAc AFLTR 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.501 175.510 -0.015 0.000 1.280 5 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 5 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 6 V N 3.814 123.718 119.914 -0.017 0.000 2.417 6 V HA 0.501 4.621 4.120 -0.000 0.000 0.291 6 V C 0.303 176.413 176.094 0.026 0.000 1.024 6 V CA -0.555 61.753 62.300 0.013 0.000 0.861 6 V CB 1.366 33.224 31.823 0.059 0.000 0.985 6 V HN 0.477 nan 8.190 nan 0.000 0.436 7 R N 4.234 124.744 120.500 0.016 0.000 2.196 7 R HA 0.243 4.583 4.340 -0.000 0.000 0.340 7 R C -0.739 175.588 176.300 0.045 0.000 1.043 7 R CA -0.286 55.830 56.100 0.027 0.000 0.883 7 R CB 1.000 31.297 30.300 -0.005 0.000 1.078 7 R HN 0.703 nan 8.270 nan 0.000 0.462 8 W N 4.586 125.856 121.300 -0.051 0.000 2.417 8 W HA 0.258 4.918 4.660 -0.000 0.000 0.317 8 W C -0.595 175.919 176.519 -0.007 0.000 1.121 8 W CA -1.003 56.328 57.345 -0.022 0.000 1.208 8 W CB 1.538 30.992 29.460 -0.010 0.000 1.253 8 W HN 0.445 nan 8.180 nan 0.000 0.533 9 c N 5.799 124.322 118.600 -0.128 0.000 2.307 9 c HA 0.558 5.128 4.570 -0.000 0.000 0.340 9 c C 0.607 174.797 174.090 0.166 0.000 1.275 9 c CA 0.095 56.421 56.329 -0.004 0.000 1.811 9 c CB -0.252 42.178 42.510 -0.133 0.000 2.372 9 c HN 0.589 nan 8.230 nan 0.000 0.531 10 T N 3.430 118.095 114.554 0.185 0.000 2.856 10 T HA 0.533 4.883 4.350 -0.000 0.000 0.283 10 T C 0.255 175.010 174.700 0.092 0.000 1.008 10 T CA -0.735 61.476 62.100 0.186 0.000 0.997 10 T CB 1.133 70.141 68.868 0.234 0.000 0.992 10 T HN 0.755 nan 8.240 nan 0.000 0.454 11 I N 0.378 120.989 120.570 0.068 0.000 3.941 11 I HA 0.462 4.632 4.170 -0.000 0.000 0.335 11 I C 0.223 176.337 176.117 -0.006 0.000 1.402 11 I CA -0.625 60.682 61.300 0.012 0.000 1.112 11 I CB -0.204 37.808 38.000 0.021 0.000 1.043 11 I HN 0.726 nan 8.210 nan 0.000 0.395 12 S N -0.988 114.724 115.700 0.021 0.000 2.587 12 S HA 0.305 4.775 4.470 -0.000 0.000 0.269 12 S C 0.240 174.851 174.600 0.019 0.000 1.154 12 S CA -0.680 57.520 58.200 -0.000 0.000 0.824 12 S CB 1.637 64.842 63.200 0.010 0.000 1.118 12 S HN 0.058 nan 8.310 nan 0.000 0.462 13 Q N 0.490 120.267 119.800 -0.039 0.000 2.124 13 Q HA 0.063 4.403 4.340 -0.000 0.000 0.202 13 Q C -0.885 175.111 176.000 -0.008 0.000 0.977 13 Q CA 1.918 57.640 55.803 -0.135 0.000 0.850 13 Q CB -1.447 27.195 28.738 -0.160 0.000 0.901 13 Q HN 0.665 nan 8.270 nan 0.000 0.429 14 P HA -0.070 nan 4.420 nan 0.000 0.220 14 P C 0.960 178.367 177.300 0.179 0.000 1.152 14 P CA 0.991 64.231 63.100 0.233 0.000 0.812 14 P CB 0.052 31.855 31.700 0.171 0.000 0.792 15 E N -1.446 118.827 120.200 0.121 0.000 2.152 15 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 15 E C 1.768 178.421 176.600 0.088 0.000 0.983 15 E CA 0.533 56.989 56.400 0.094 0.000 0.818 15 E CB -0.310 29.444 29.700 0.090 0.000 0.758 15 E HN 0.174 nan 8.360 nan 0.000 0.467 16 W N -0.107 121.144 121.300 -0.082 0.000 2.418 16 W HA -0.131 4.529 4.660 -0.000 0.000 0.292 16 W C 1.454 177.910 176.519 -0.105 0.000 1.213 16 W CA 0.963 58.221 57.345 -0.144 0.000 1.283 16 W CB -0.177 29.115 29.460 -0.279 0.000 1.119 16 W HN 0.023 nan 8.180 nan 0.000 0.542 17 F N 0.963 120.965 119.950 0.086 0.000 2.234 17 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 17 F C 2.442 178.142 175.800 -0.167 0.000 1.087 17 F CA 1.829 59.803 58.000 -0.044 0.000 1.340 17 F CB -1.127 37.937 39.000 0.107 0.000 1.031 17 F HN -0.108 nan 8.300 nan 0.000 0.500 18 K N -0.579 119.869 120.400 0.080 0.000 2.116 18 K HA -0.145 4.175 4.320 -0.000 0.000 0.203 18 K C 2.428 179.041 176.600 0.021 0.000 1.052 18 K CA 1.227 57.556 56.287 0.071 0.000 0.952 18 K CB -0.520 32.007 32.500 0.043 0.000 0.729 18 K HN 0.332 nan 8.250 nan 0.000 0.446 19 c N 0.979 119.499 118.600 -0.134 0.000 2.446 19 c HA 0.017 4.587 4.570 -0.000 0.000 0.277 19 c C 2.770 176.607 174.090 -0.421 0.000 1.275 19 c CA 1.074 57.299 56.329 -0.173 0.000 1.727 19 c CB -0.738 41.608 42.510 -0.272 0.000 2.010 19 c HN 0.518 nan 8.230 nan 0.000 0.486 20 R N 0.623 120.660 120.500 -0.772 0.000 2.092 20 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 20 R C 2.394 177.947 176.300 -1.246 0.000 1.119 20 R CA 1.575 56.989 56.100 -1.144 0.000 0.970 20 R CB -0.616 28.843 30.300 -1.402 0.000 0.864 20 R HN 0.559 nan 8.270 nan 0.000 0.440 21 R N -1.403 118.682 120.500 -0.692 0.000 2.115 21 R HA -0.112 4.228 4.340 -0.000 0.000 0.226 21 R C 1.539 177.455 176.300 -0.640 0.000 1.100 21 R CA 1.462 57.304 56.100 -0.430 0.000 0.980 21 R CB -0.430 29.848 30.300 -0.037 0.000 0.875 21 R HN 0.350 nan 8.270 nan 0.000 0.445 22 W N 1.194 122.071 121.300 -0.705 0.000 2.494 22 W HA -0.015 4.645 4.660 -0.000 0.000 0.286 22 W C 1.904 178.112 176.519 -0.518 0.000 1.218 22 W CA 1.136 58.048 57.345 -0.722 0.000 1.313 22 W CB -0.530 28.820 29.460 -0.184 0.000 1.105 22 W HN 0.211 nan 8.180 nan 0.000 0.561 23 Q N -0.621 118.899 119.800 -0.466 0.000 2.061 23 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 23 Q C 2.049 177.881 176.000 -0.280 0.000 0.984 23 Q CA 2.447 57.960 55.803 -0.484 0.000 0.846 23 Q CB -0.927 27.479 28.738 -0.553 0.000 0.902 23 Q HN 0.204 nan 8.270 nan 0.000 0.421 24 W N 0.497 121.644 121.300 -0.255 0.000 2.418 24 W HA 0.010 4.670 4.660 -0.000 0.000 0.292 24 W C 2.259 178.649 176.519 -0.215 0.000 1.213 24 W CA 0.699 57.921 57.345 -0.204 0.000 1.283 24 W CB -0.582 28.767 29.460 -0.187 0.000 1.119 24 W HN 0.257 nan 8.180 nan 0.000 0.542 25 R N -0.525 119.911 120.500 -0.106 0.000 2.189 25 R HA -0.123 4.217 4.340 -0.000 0.000 0.223 25 R C 2.115 178.396 176.300 -0.032 0.000 1.092 25 R CA 1.085 57.045 56.100 -0.234 0.000 0.989 25 R CB -0.451 29.368 30.300 -0.802 0.000 0.876 25 R HN -0.079 nan 8.270 nan 0.000 0.457 26 M N 0.434 120.002 119.600 -0.053 0.000 2.115 26 M HA -0.047 4.433 4.480 -0.000 0.000 0.261 26 M C 1.388 177.714 176.300 0.045 0.000 1.079 26 M CA 1.639 56.959 55.300 0.034 0.000 1.143 26 M CB -0.155 32.342 32.600 -0.171 0.000 1.332 26 M HN -0.085 nan 8.290 nan 0.000 0.421 27 K N 0.317 120.719 120.400 0.003 0.000 2.162 27 K HA -0.328 3.991 4.320 -0.000 0.000 0.219 27 K C 1.527 178.141 176.600 0.023 0.000 1.038 27 K CA 2.611 58.905 56.287 0.012 0.000 0.946 27 K CB -0.901 31.616 32.500 0.028 0.000 0.783 27 K HN 0.444 nan 8.250 nan 0.000 0.470 28 K N 0.995 121.420 120.400 0.042 0.000 2.439 28 K HA -0.025 4.295 4.320 -0.000 0.000 0.197 28 K C 1.632 178.256 176.600 0.040 0.000 1.041 28 K CA 1.050 57.361 56.287 0.040 0.000 0.970 28 K CB -0.051 32.478 32.500 0.048 0.000 0.773 28 K HN 0.168 nan 8.250 nan 0.000 0.479 29 L N 0.554 121.808 121.223 0.051 0.000 2.567 29 L HA 0.242 4.582 4.340 -0.000 0.000 0.225 29 L C 0.366 177.242 176.870 0.011 0.000 1.119 29 L CA 0.111 54.969 54.840 0.031 0.000 0.871 29 L CB -0.491 41.593 42.059 0.041 0.000 1.036 29 L HN 0.521 nan 8.230 nan 0.000 0.459 30 G N 1.452 110.258 108.800 0.009 0.000 2.684 30 G HA2 0.053 4.013 3.960 -0.000 0.000 0.229 30 G HA3 0.053 4.013 3.960 -0.000 0.000 0.229 30 G C 0.295 175.191 174.900 -0.008 0.000 0.927 30 G CA 0.015 45.115 45.100 -0.001 0.000 1.147 30 G HN 0.840 nan 8.290 nan 0.000 0.402 31 A N 1.891 124.702 122.820 -0.016 0.000 2.435 31 A HA 0.227 4.547 4.320 -0.000 0.000 0.686 31 A C -1.100 176.467 177.584 -0.029 0.000 0.139 31 A CA 0.944 52.968 52.037 -0.022 0.000 0.030 31 A CB -0.631 18.362 19.000 -0.012 0.000 3.973 31 A HN 1.683 nan 8.150 nan 0.000 0.548 32 P HA 0.581 nan 4.420 nan 0.000 0.284 32 P C 0.059 177.311 177.300 -0.081 0.000 1.287 32 P CA 0.066 63.138 63.100 -0.046 0.000 0.824 32 P CB 1.224 32.905 31.700 -0.032 0.000 1.180 33 S N -0.141 115.515 115.700 -0.073 0.000 2.610 33 S HA 0.515 4.985 4.470 -0.000 0.000 0.273 33 S C -0.045 174.473 174.600 -0.135 0.000 1.274 33 S CA -0.697 57.444 58.200 -0.100 0.000 1.023 33 S CB 0.045 63.208 63.200 -0.062 0.000 0.962 33 S HN 0.505 nan 8.310 nan 0.000 0.523 34 I N 1.840 122.288 120.570 -0.204 0.000 2.465 34 I HA 0.579 4.749 4.170 -0.000 0.000 0.291 34 I C -0.882 175.130 176.117 -0.174 0.000 1.014 34 I CA -0.253 60.908 61.300 -0.232 0.000 1.093 34 I CB 2.007 39.717 38.000 -0.483 0.000 1.267 34 I HN 0.682 nan 8.210 nan 0.000 0.431 35 T N 5.778 120.281 114.554 -0.085 0.000 2.888 35 T HA 0.414 4.764 4.350 -0.000 0.000 0.284 35 T C -0.894 173.803 174.700 -0.005 0.000 1.017 35 T CA -0.373 61.702 62.100 -0.043 0.000 1.022 35 T CB 1.097 69.965 68.868 0.001 0.000 1.013 35 T HN 0.647 nan 8.240 nan 0.000 0.465 36 c N 3.313 121.918 118.600 0.010 0.000 2.301 36 c HA 0.527 5.096 4.570 -0.000 0.000 0.313 36 c C 0.449 174.722 174.090 0.305 0.000 1.121 36 c CA -1.049 55.321 56.329 0.068 0.000 1.507 36 c CB -0.867 41.451 42.510 -0.320 0.000 1.975 36 c HN 0.673 nan 8.230 nan 0.000 0.425 37 V N 3.939 123.981 119.914 0.212 0.000 2.530 37 V HA 0.370 4.490 4.120 -0.000 0.000 0.282 37 V C 0.379 176.575 176.094 0.170 0.000 1.048 37 V CA -0.036 62.356 62.300 0.152 0.000 0.997 37 V CB 1.076 32.931 31.823 0.054 0.000 0.987 37 V HN 0.762 nan 8.190 nan 0.000 0.477 38 R N 5.433 125.967 120.500 0.056 0.000 2.294 38 R HA 0.590 4.930 4.340 -0.000 0.000 0.319 38 R C -0.476 175.766 176.300 -0.096 0.000 0.984 38 R CA -0.222 55.854 56.100 -0.039 0.000 0.861 38 R CB 0.619 30.741 30.300 -0.297 0.000 1.104 38 R HN 0.661 nan 8.270 nan 0.000 0.451 39 R N 2.341 122.784 120.500 -0.096 0.000 2.885 39 R HA 0.578 4.918 4.340 -0.000 0.000 0.260 39 R C -0.302 175.886 176.300 -0.187 0.000 1.107 39 R CA -0.345 55.654 56.100 -0.169 0.000 0.978 39 R CB 1.293 31.483 30.300 -0.185 0.000 1.227 39 R HN 0.640 nan 8.270 nan 0.000 0.473 40 A N -0.078 122.555 122.820 -0.311 0.000 1.993 40 A HA 0.334 4.654 4.320 -0.000 0.000 0.207 40 A C 0.046 177.564 177.584 -0.110 0.000 1.224 40 A CA 0.668 52.564 52.037 -0.235 0.000 0.749 40 A CB 0.135 18.983 19.000 -0.253 0.000 0.884 40 A HN 0.450 nan 8.150 nan 0.000 0.467 41 F N -5.087 114.822 119.950 -0.069 0.000 2.726 41 F HA 0.752 5.279 4.527 -0.000 0.000 0.324 41 F C 1.170 176.942 175.800 -0.048 0.000 1.140 41 F CA -0.846 57.114 58.000 -0.067 0.000 0.964 41 F CB 0.796 39.754 39.000 -0.071 0.000 1.399 41 F HN -0.059 nan 8.300 nan 0.000 0.491 42 A N 0.446 123.399 122.820 0.221 0.000 1.908 42 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 42 A C 1.845 179.449 177.584 0.033 0.000 1.181 42 A CA 2.150 54.247 52.037 0.099 0.000 0.627 42 A CB -0.810 18.255 19.000 0.107 0.000 0.818 42 A HN 0.794 nan 8.150 nan 0.000 0.445 43 L N 0.119 121.417 121.223 0.124 0.000 2.201 43 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 43 L C 2.077 178.896 176.870 -0.086 0.000 1.105 43 L CA 1.947 56.792 54.840 0.009 0.000 0.775 43 L CB -0.569 41.557 42.059 0.112 0.000 0.913 43 L HN 0.491 nan 8.230 nan 0.000 0.440 44 E N -1.521 118.593 120.200 -0.143 0.000 2.150 44 E HA -0.210 4.139 4.350 -0.000 0.000 0.193 44 E C 2.226 178.713 176.600 -0.189 0.000 0.985 44 E CA 1.399 57.644 56.400 -0.259 0.000 0.814 44 E CB -0.251 29.125 29.700 -0.540 0.000 0.752 44 E HN 0.556 nan 8.360 nan 0.000 0.466 45 c N 0.523 119.024 118.600 -0.165 0.000 2.457 45 c HA -0.006 4.564 4.570 -0.000 0.000 0.278 45 c C 2.586 176.581 174.090 -0.158 0.000 1.309 45 c CA 0.046 56.290 56.329 -0.143 0.000 1.735 45 c CB -0.646 41.794 42.510 -0.116 0.000 1.992 45 c HN 0.386 nan 8.230 nan 0.000 0.493 46 I N 0.474 120.928 120.570 -0.194 0.000 2.226 46 I HA -0.200 3.969 4.170 -0.000 0.000 0.245 46 I C 2.861 178.821 176.117 -0.262 0.000 1.100 46 I CA 1.425 62.555 61.300 -0.283 0.000 1.374 46 I CB -0.511 37.215 38.000 -0.455 0.000 1.057 46 I HN 0.324 nan 8.210 nan 0.000 0.413 47 R N 1.010 121.385 120.500 -0.207 0.000 2.115 47 R HA -0.107 4.233 4.340 -0.000 0.000 0.226 47 R C 2.304 178.594 176.300 -0.016 0.000 1.100 47 R CA 1.284 57.372 56.100 -0.019 0.000 0.980 47 R CB -0.108 30.204 30.300 0.021 0.000 0.875 47 R HN 0.329 nan 8.270 nan 0.000 0.445 48 A N 0.853 123.631 122.820 -0.071 0.000 1.930 48 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 48 A C 2.053 179.600 177.584 -0.061 0.000 1.175 48 A CA 1.041 53.038 52.037 -0.067 0.000 0.627 48 A CB -0.313 18.634 19.000 -0.088 0.000 0.815 48 A HN 0.316 nan 8.150 nan 0.000 0.443 49 I N -0.322 120.200 120.570 -0.080 0.000 2.286 49 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 49 I C 2.931 179.025 176.117 -0.038 0.000 1.104 49 I CA 0.942 62.194 61.300 -0.080 0.000 1.397 49 I CB -0.265 37.664 38.000 -0.119 0.000 1.072 49 I HN 0.329 nan 8.210 nan 0.000 0.417 50 A N 0.227 123.047 122.820 -0.000 0.000 1.933 50 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 50 A C 2.076 179.676 177.584 0.027 0.000 1.175 50 A CA 1.631 53.699 52.037 0.051 0.000 0.628 50 A CB -0.509 18.605 19.000 0.191 0.000 0.814 50 A HN 0.423 nan 8.150 nan 0.000 0.444 51 E N -0.589 119.622 120.200 0.017 0.000 2.476 51 E HA 0.055 4.405 4.350 -0.000 0.000 0.191 51 E C -0.332 176.261 176.600 -0.012 0.000 1.064 51 E CA -0.001 56.400 56.400 0.002 0.000 0.866 51 E CB -0.060 29.641 29.700 0.001 0.000 0.952 51 E HN 0.524 nan 8.360 nan 0.000 0.492 52 K N -0.298 120.091 120.400 -0.019 0.000 3.230 52 K HA -0.226 4.094 4.320 -0.000 0.000 0.285 52 K C 0.369 176.952 176.600 -0.028 0.000 1.196 52 K CA 0.551 56.823 56.287 -0.025 0.000 0.838 52 K CB -1.068 31.420 32.500 -0.020 0.000 1.262 52 K HN 0.067 nan 8.250 nan 0.000 0.492 53 K N -0.593 119.787 120.400 -0.033 0.000 2.352 53 K HA 0.217 4.537 4.320 -0.000 0.000 0.194 53 K C 0.854 177.431 176.600 -0.039 0.000 1.038 53 K CA 0.894 57.161 56.287 -0.033 0.000 1.023 53 K CB 0.889 33.367 32.500 -0.036 0.000 0.840 53 K HN 0.363 nan 8.250 nan 0.000 0.519 54 A N 0.724 123.512 122.820 -0.054 0.000 2.593 54 A HA 0.481 4.801 4.320 -0.000 0.000 0.290 54 A C -0.825 176.702 177.584 -0.095 0.000 1.126 54 A CA -0.646 51.347 52.037 -0.073 0.000 0.695 54 A CB 1.184 20.126 19.000 -0.097 0.000 1.290 54 A HN -0.060 nan 8.150 nan 0.000 0.414 55 D N -0.574 119.749 120.400 -0.128 0.000 2.531 55 D HA 0.418 5.058 4.640 -0.000 0.000 0.263 55 D C 0.577 176.726 176.300 -0.252 0.000 1.057 55 D CA 1.296 55.212 54.000 -0.141 0.000 0.909 55 D CB 0.867 41.615 40.800 -0.087 0.000 1.236 55 D HN 0.796 nan 8.370 nan 0.000 0.494 56 A N 0.418 122.967 122.820 -0.451 0.000 2.515 56 A HA 0.726 5.046 4.320 -0.000 0.000 0.296 56 A C -1.275 175.606 177.584 -1.172 0.000 1.094 56 A CA -0.646 50.896 52.037 -0.824 0.000 0.718 56 A CB 2.531 20.837 19.000 -1.156 0.000 1.307 56 A HN -0.044 nan 8.150 nan 0.000 0.408 57 V N -0.249 119.093 119.914 -0.953 0.000 3.174 57 V HA 0.587 4.707 4.120 -0.000 0.000 0.280 57 V C -1.120 174.886 176.094 -0.147 0.000 1.554 57 V CA -0.312 61.663 62.300 -0.542 0.000 1.016 57 V CB 2.566 34.223 31.823 -0.277 0.000 1.197 57 V HN 1.134 nan 8.190 nan 0.000 0.453 58 T N 6.096 120.724 114.554 0.123 0.000 2.771 58 T HA 0.743 5.093 4.350 -0.000 0.000 0.281 58 T C -0.538 174.266 174.700 0.174 0.000 0.982 58 T CA -0.203 62.049 62.100 0.254 0.000 0.978 58 T CB 0.880 70.007 68.868 0.432 0.000 0.930 58 T HN 0.493 nan 8.240 nan 0.000 0.447 59 L N 1.937 123.236 121.223 0.128 0.000 2.301 59 L HA 0.633 4.972 4.340 -0.000 0.000 0.264 59 L C -0.032 176.781 176.870 -0.095 0.000 1.016 59 L CA -1.255 53.608 54.840 0.039 0.000 0.821 59 L CB 1.731 43.810 42.059 0.034 0.000 1.346 59 L HN 0.534 nan 8.230 nan 0.000 0.429 60 D N -0.314 119.930 120.400 -0.260 0.000 2.283 60 D HA 0.271 4.911 4.640 -0.000 0.000 0.248 60 D C 1.226 177.520 176.300 -0.010 0.000 1.072 60 D CA 0.131 53.837 54.000 -0.490 0.000 0.929 60 D CB 1.916 42.524 40.800 -0.319 0.000 1.182 60 D HN 0.590 nan 8.370 nan 0.000 0.433 61 G N 1.727 110.593 108.800 0.109 0.000 2.550 61 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.222 61 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.222 61 G C 1.319 176.425 174.900 0.343 0.000 1.113 61 G CA 0.902 46.093 45.100 0.152 0.000 0.748 61 G HN 0.612 nan 8.290 nan 0.000 0.585 62 G N -0.024 108.989 108.800 0.356 0.000 2.403 62 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.216 62 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.216 62 G C 1.736 176.824 174.900 0.313 0.000 1.154 62 G CA 0.977 46.289 45.100 0.353 0.000 0.784 62 G HN 0.302 nan 8.290 nan 0.000 0.538 63 M N 0.503 120.228 119.600 0.208 0.000 2.349 63 M HA 0.149 4.628 4.480 -0.000 0.000 0.266 63 M C 2.612 178.996 176.300 0.141 0.000 1.076 63 M CA 0.262 55.648 55.300 0.144 0.000 1.126 63 M CB -0.613 32.032 32.600 0.076 0.000 1.392 63 M HN 0.083 nan 8.290 nan 0.000 0.440 64 V N 0.033 120.059 119.914 0.187 0.000 2.427 64 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 64 V C 2.212 178.438 176.094 0.221 0.000 1.051 64 V CA 1.462 63.871 62.300 0.182 0.000 1.048 64 V CB -0.894 31.067 31.823 0.229 0.000 0.666 64 V HN 0.312 nan 8.190 nan 0.000 0.456 65 F N 1.530 121.579 119.950 0.165 0.000 2.084 65 F HA -0.130 4.397 4.527 -0.000 0.000 0.296 65 F C 2.456 178.333 175.800 0.127 0.000 1.111 65 F CA 1.835 59.934 58.000 0.165 0.000 1.224 65 F CB -0.251 38.867 39.000 0.196 0.000 0.991 65 F HN 0.129 nan 8.300 nan 0.000 0.471 66 E N 0.510 120.722 120.200 0.021 0.000 2.204 66 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 66 E C 2.298 178.871 176.600 -0.045 0.000 0.989 66 E CA 1.001 57.356 56.400 -0.076 0.000 0.824 66 E CB -0.644 29.119 29.700 0.104 0.000 0.756 66 E HN 0.517 nan 8.360 nan 0.000 0.477 67 A N 0.896 123.691 122.820 -0.041 0.000 2.016 67 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 67 A C 2.364 179.961 177.584 0.023 0.000 1.162 67 A CA 1.255 53.264 52.037 -0.047 0.000 0.662 67 A CB -0.523 18.437 19.000 -0.066 0.000 0.812 67 A HN 0.296 nan 8.150 nan 0.000 0.450 68 G N -0.495 108.286 108.800 -0.032 0.000 2.511 68 G HA2 0.012 3.972 3.960 -0.000 0.000 0.217 68 G HA3 0.012 3.972 3.960 -0.000 0.000 0.217 68 G C 1.077 175.942 174.900 -0.059 0.000 1.133 68 G CA -0.093 44.985 45.100 -0.037 0.000 0.792 68 G HN 0.488 nan 8.290 nan 0.000 0.539 69 R N 0.399 120.836 120.500 -0.104 0.000 2.822 69 R HA 0.199 4.539 4.340 -0.000 0.000 0.277 69 R C -0.483 175.777 176.300 -0.066 0.000 1.102 69 R CA -0.317 55.716 56.100 -0.111 0.000 1.207 69 R CB 0.309 30.521 30.300 -0.146 0.000 1.139 69 R HN 0.122 nan 8.270 nan 0.000 0.557 70 D N 1.454 121.776 120.400 -0.129 0.000 2.302 70 D HA 0.090 4.730 4.640 -0.000 0.000 0.248 70 D C -1.580 174.490 176.300 -0.382 0.000 1.094 70 D CA -0.975 52.907 54.000 -0.197 0.000 0.897 70 D CB 1.305 42.020 40.800 -0.141 0.000 1.200 70 D HN 0.355 nan 8.370 nan 0.000 0.429 71 P HA 0.097 nan 4.420 nan 0.000 0.269 71 P C 0.361 177.456 177.300 -0.343 0.000 1.478 71 P CA 0.029 62.889 63.100 -0.399 0.000 1.045 71 P CB 0.161 31.650 31.700 -0.351 0.000 1.512 72 Y N 1.774 122.043 120.300 -0.051 0.000 2.184 72 Y HA 0.006 4.556 4.550 -0.000 0.000 0.290 72 Y C 1.320 177.187 175.900 -0.055 0.000 1.129 72 Y CA 0.442 58.511 58.100 -0.052 0.000 1.144 72 Y CB -0.931 37.497 38.460 -0.054 0.000 0.995 72 Y HN -0.079 nan 8.280 nan 0.000 0.513 73 K N 0.569 121.019 120.400 0.084 0.000 3.419 73 K HA -0.199 4.121 4.320 -0.000 0.000 0.272 73 K C -1.045 175.566 176.600 0.019 0.000 0.973 73 K CA 0.258 56.556 56.287 0.018 0.000 0.749 73 K CB -2.411 30.080 32.500 -0.014 0.000 1.403 73 K HN 0.300 nan 8.250 nan 0.000 0.456 74 L N 0.844 122.082 121.223 0.026 0.000 2.331 74 L HA 0.530 4.869 4.340 -0.000 0.000 0.275 74 L C 0.705 177.564 176.870 -0.019 0.000 1.022 74 L CA -0.957 53.880 54.840 -0.005 0.000 0.812 74 L CB 1.507 43.555 42.059 -0.017 0.000 1.257 74 L HN 0.315 nan 8.230 nan 0.000 0.435 75 R N 1.757 122.235 120.500 -0.037 0.000 2.803 75 R HA 0.657 4.997 4.340 -0.000 0.000 0.276 75 R C -2.892 173.362 176.300 -0.077 0.000 0.978 75 R CA -2.017 54.055 56.100 -0.047 0.000 0.939 75 R CB 1.616 31.886 30.300 -0.050 0.000 1.179 75 R HN 0.186 nan 8.270 nan 0.000 0.472 76 P HA -0.000 nan 4.420 nan 0.000 0.287 76 P C 0.568 177.760 177.300 -0.180 0.000 1.307 76 P CA -0.499 62.488 63.100 -0.190 0.000 0.777 76 P CB 1.629 33.079 31.700 -0.417 0.000 0.883 77 V N 1.670 121.518 119.914 -0.110 0.000 3.174 77 V HA 0.528 4.648 4.120 -0.000 0.000 0.254 77 V C 0.417 176.476 176.094 -0.059 0.000 1.120 77 V CA 0.953 63.199 62.300 -0.090 0.000 1.114 77 V CB -0.350 31.453 31.823 -0.034 0.000 0.756 77 V HN 0.539 nan 8.190 nan 0.000 0.467 78 A N -0.313 122.517 122.820 0.017 0.000 2.574 78 A HA 0.939 5.259 4.320 -0.000 0.000 0.297 78 A C -0.596 177.108 177.584 0.200 0.000 1.062 78 A CA -0.125 52.011 52.037 0.165 0.000 0.686 78 A CB 1.517 20.723 19.000 0.344 0.000 1.285 78 A HN 1.452 nan 8.150 nan 0.000 0.403 79 A N 0.825 123.832 122.820 0.313 0.000 2.380 79 A HA 0.765 5.085 4.320 -0.000 0.000 0.315 79 A C -0.441 177.376 177.584 0.388 0.000 1.101 79 A CA -0.545 51.690 52.037 0.331 0.000 0.771 79 A CB 0.819 20.035 19.000 0.359 0.000 1.287 79 A HN 0.785 nan 8.150 nan 0.000 0.436 80 E N 0.721 121.081 120.200 0.267 0.000 2.313 80 E HA 0.401 4.751 4.350 -0.000 0.000 0.276 80 E C -0.948 175.378 176.600 -0.458 0.000 1.031 80 E CA 0.025 56.405 56.400 -0.033 0.000 0.857 80 E CB 1.130 30.843 29.700 0.022 0.000 1.040 80 E HN 0.511 nan 8.360 nan 0.000 0.408 81 I N 3.158 123.438 120.570 -0.483 0.000 2.392 81 I HA 0.257 4.426 4.170 -0.000 0.000 0.295 81 I C -0.554 175.264 176.117 -0.498 0.000 0.985 81 I CA -0.584 60.440 61.300 -0.461 0.000 1.221 81 I CB 0.404 38.261 38.000 -0.239 0.000 1.366 81 I HN 0.434 nan 8.210 nan 0.000 0.467 82 Y N 2.856 123.050 120.300 -0.176 0.000 2.833 82 Y HA 0.869 5.419 4.550 -0.000 0.000 0.323 82 Y C 0.957 176.739 175.900 -0.197 0.000 1.220 82 Y CA -0.886 57.077 58.100 -0.229 0.000 1.174 82 Y CB 0.105 38.427 38.460 -0.230 0.000 1.404 82 Y HN 0.756 nan 8.280 nan 0.000 0.607 83 G N -0.170 108.629 108.800 -0.003 0.000 2.545 83 G HA2 0.021 3.980 3.960 -0.000 0.000 0.216 83 G HA3 0.021 3.980 3.960 -0.000 0.000 0.216 83 G C -0.242 174.609 174.900 -0.082 0.000 1.314 83 G CA -0.407 44.659 45.100 -0.056 0.000 0.906 83 G HN 1.093 nan 8.290 nan 0.000 0.563 84 T N -1.848 112.667 114.554 -0.065 0.000 2.910 84 T HA 0.639 4.988 4.350 -0.000 0.000 0.279 84 T C 1.444 176.106 174.700 -0.062 0.000 0.989 84 T CA 0.640 62.700 62.100 -0.067 0.000 0.968 84 T CB 1.773 70.612 68.868 -0.049 0.000 1.135 84 T HN 0.913 nan 8.240 nan 0.000 0.562 85 K N -0.024 120.342 120.400 -0.057 0.000 2.097 85 K HA -0.089 4.230 4.320 -0.000 0.000 0.205 85 K C 1.410 177.990 176.600 -0.034 0.000 1.050 85 K CA 1.676 57.933 56.287 -0.049 0.000 0.938 85 K CB -0.146 32.328 32.500 -0.043 0.000 0.718 85 K HN 0.713 nan 8.250 nan 0.000 0.442 86 E N -0.333 119.851 120.200 -0.027 0.000 2.452 86 E HA 0.041 4.391 4.350 -0.000 0.000 0.197 86 E C -0.076 176.516 176.600 -0.014 0.000 1.022 86 E CA -0.055 56.335 56.400 -0.017 0.000 0.890 86 E CB 0.941 30.633 29.700 -0.013 0.000 0.918 86 E HN -0.004 nan 8.360 nan 0.000 0.496 87 S N 1.415 117.104 115.700 -0.018 0.000 2.279 87 S HA 0.343 4.813 4.470 -0.000 0.000 0.176 87 S C -2.836 171.755 174.600 -0.016 0.000 1.554 87 S CA -1.709 56.486 58.200 -0.009 0.000 1.242 87 S CB 0.221 63.420 63.200 -0.002 0.000 1.163 87 S HN -0.157 nan 8.310 nan 0.000 0.449 88 P HA 0.491 nan 4.420 nan 0.000 0.281 88 P C -1.301 175.986 177.300 -0.020 0.000 1.281 88 P CA -0.435 62.644 63.100 -0.035 0.000 0.811 88 P CB 0.583 32.257 31.700 -0.044 0.000 1.154 89 Q N -2.023 117.751 119.800 -0.043 0.000 2.472 89 Q HA 0.604 4.944 4.340 -0.000 0.000 0.281 89 Q C -1.357 174.595 176.000 -0.079 0.000 0.997 89 Q CA -0.834 54.947 55.803 -0.036 0.000 0.828 89 Q CB 0.940 29.600 28.738 -0.130 0.000 1.443 89 Q HN 0.344 nan 8.270 nan 0.000 0.390 90 T N -0.872 113.681 114.554 -0.002 0.000 3.416 90 T HA 0.402 4.752 4.350 -0.000 0.000 0.245 90 T C -0.339 174.393 174.700 0.054 0.000 1.081 90 T CA -0.360 61.710 62.100 -0.050 0.000 1.190 90 T CB -0.566 68.279 68.868 -0.038 0.000 1.068 90 T HN 0.790 nan 8.240 nan 0.000 0.580 91 H N -0.740 118.312 119.070 -0.031 0.000 2.917 91 H HA 0.509 5.065 4.556 -0.000 0.000 0.299 91 H C -1.892 173.493 175.328 0.095 0.000 1.418 91 H CA -1.189 54.822 56.048 -0.062 0.000 1.138 91 H CB 0.653 30.262 29.762 -0.255 0.000 1.830 91 H HN 0.274 nan 8.280 nan 0.000 0.514 92 Y N -1.011 119.183 120.300 -0.178 0.000 2.896 92 Y HA 0.727 5.277 4.550 -0.000 0.000 0.317 92 Y C -2.016 173.686 175.900 -0.330 0.000 1.444 92 Y CA -1.393 56.536 58.100 -0.286 0.000 1.084 92 Y CB 1.056 39.418 38.460 -0.163 0.000 1.382 92 Y HN 0.507 nan 8.280 nan 0.000 0.471 93 Y N 0.657 121.034 120.300 0.130 0.000 2.391 93 Y HA 0.749 5.299 4.550 -0.000 0.000 0.341 93 Y C -0.127 175.877 175.900 0.174 0.000 0.965 93 Y CA -1.141 56.988 58.100 0.049 0.000 1.067 93 Y CB 2.269 40.731 38.460 0.004 0.000 1.199 93 Y HN 0.900 nan 8.280 nan 0.000 0.450 94 A N 3.162 126.176 122.820 0.322 0.000 2.328 94 A HA 0.778 5.098 4.320 -0.000 0.000 0.284 94 A C -0.469 177.324 177.584 0.349 0.000 1.160 94 A CA -0.390 51.851 52.037 0.341 0.000 0.818 94 A CB 0.065 19.245 19.000 0.300 0.000 1.087 94 A HN 0.771 nan 8.150 nan 0.000 0.504 95 V N -1.379 118.719 119.914 0.307 0.000 3.130 95 V HA 0.946 5.066 4.120 -0.000 0.000 0.310 95 V C -0.112 176.121 176.094 0.230 0.000 1.158 95 V CA -0.587 61.873 62.300 0.266 0.000 1.029 95 V CB 1.456 33.407 31.823 0.213 0.000 1.057 95 V HN 1.654 nan 8.190 nan 0.000 0.436 96 A N 1.513 124.434 122.820 0.168 0.000 2.273 96 A HA 0.828 5.148 4.320 -0.000 0.000 0.315 96 A C -0.658 176.923 177.584 -0.004 0.000 1.256 96 A CA -0.625 51.425 52.037 0.021 0.000 0.851 96 A CB 1.161 20.190 19.000 0.048 0.000 1.172 96 A HN 1.227 nan 8.150 nan 0.000 0.508 97 V N 3.975 123.856 119.914 -0.054 0.000 2.394 97 V HA 0.541 4.660 4.120 -0.000 0.000 0.282 97 V C 0.230 176.345 176.094 0.035 0.000 1.031 97 V CA -0.304 62.006 62.300 0.015 0.000 0.881 97 V CB 1.212 33.049 31.823 0.024 0.000 0.982 97 V HN 0.893 nan 8.190 nan 0.000 0.451 98 V N 2.066 122.041 119.914 0.101 0.000 3.046 98 V HA 0.657 4.776 4.120 -0.000 0.000 0.316 98 V C -0.322 175.894 176.094 0.204 0.000 1.104 98 V CA -1.271 61.104 62.300 0.124 0.000 1.006 98 V CB 1.827 33.645 31.823 -0.008 0.000 1.058 98 V HN 0.748 nan 8.190 nan 0.000 0.440 99 K N 1.436 121.917 120.400 0.134 0.000 2.174 99 K HA 0.336 4.656 4.320 -0.000 0.000 0.275 99 K C -0.088 176.447 176.600 -0.109 0.000 1.015 99 K CA -0.666 55.599 56.287 -0.037 0.000 0.933 99 K CB 0.792 33.241 32.500 -0.085 0.000 1.025 99 K HN 0.690 nan 8.250 nan 0.000 0.463 100 K N 1.486 121.775 120.400 -0.184 0.000 2.451 100 K HA 0.030 4.350 4.320 -0.000 0.000 0.280 100 K C 0.027 176.550 176.600 -0.130 0.000 1.020 100 K CA 0.810 57.011 56.287 -0.143 0.000 1.008 100 K CB 0.604 33.018 32.500 -0.144 0.000 0.917 100 K HN 0.947 nan 8.250 nan 0.000 0.478 101 G N 2.143 110.872 108.800 -0.118 0.000 2.851 101 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.272 101 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.272 101 G C -0.648 174.199 174.900 -0.088 0.000 1.100 101 G CA -0.286 44.757 45.100 -0.095 0.000 1.197 101 G HN 0.461 nan 8.290 nan 0.000 0.561 102 S N -0.486 115.131 115.700 -0.137 0.000 2.541 102 S HA 0.607 5.077 4.470 -0.000 0.000 0.271 102 S C 0.475 174.967 174.600 -0.180 0.000 1.133 102 S CA -0.906 57.212 58.200 -0.135 0.000 0.876 102 S CB 1.947 64.953 63.200 -0.323 0.000 1.105 102 S HN 0.269 nan 8.310 nan 0.000 0.470 103 N N 0.443 119.115 118.700 -0.047 0.000 2.325 103 N HA 0.258 4.998 4.740 -0.000 0.000 0.182 103 N C 0.017 175.518 175.510 -0.015 0.000 1.088 103 N CA -0.072 52.956 53.050 -0.036 0.000 0.879 103 N CB 0.011 38.509 38.487 0.018 0.000 0.983 103 N HN 0.679 nan 8.380 nan 0.000 0.471 104 F N 0.089 120.033 119.950 -0.011 0.000 2.450 104 F HA 0.464 4.991 4.527 -0.000 0.000 0.339 104 F C 0.538 176.335 175.800 -0.005 0.000 1.146 104 F CA -0.658 57.336 58.000 -0.009 0.000 1.267 104 F CB 0.614 39.609 39.000 -0.008 0.000 1.178 104 F HN -0.177 nan 8.300 nan 0.000 0.585 105 Q N 1.847 121.742 119.800 0.159 0.000 2.852 105 Q HA 0.309 4.649 4.340 -0.000 0.000 0.262 105 Q C 0.872 176.982 176.000 0.183 0.000 1.051 105 Q CA -0.884 54.965 55.803 0.077 0.000 0.894 105 Q CB 1.073 29.829 28.738 0.031 0.000 1.381 105 Q HN 0.838 nan 8.270 nan 0.000 0.501 106 L N 1.717 123.007 121.223 0.112 0.000 2.131 106 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 106 L C 1.318 178.148 176.870 -0.065 0.000 1.092 106 L CA 2.332 57.233 54.840 0.102 0.000 0.759 106 L CB -0.579 41.540 42.059 0.100 0.000 0.903 106 L HN 0.666 nan 8.230 nan 0.000 0.435 107 D N -1.907 118.415 120.400 -0.130 0.000 2.194 107 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 107 D C 1.380 177.560 176.300 -0.200 0.000 0.964 107 D CA 0.746 54.527 54.000 -0.364 0.000 0.846 107 D CB -0.527 40.209 40.800 -0.106 0.000 0.962 107 D HN 0.402 nan 8.370 nan 0.000 0.490 108 Q N -0.160 119.631 119.800 -0.016 0.000 2.294 108 Q HA 0.319 4.659 4.340 -0.000 0.000 0.256 108 Q C 0.693 176.695 176.000 0.003 0.000 0.907 108 Q CA -0.113 55.707 55.803 0.029 0.000 0.954 108 Q CB 0.110 28.912 28.738 0.107 0.000 1.102 108 Q HN 0.325 nan 8.270 nan 0.000 0.429 109 L N -0.017 121.201 121.223 -0.008 0.000 2.607 109 L HA 0.109 4.448 4.340 -0.000 0.000 0.228 109 L C 0.705 177.375 176.870 -0.334 0.000 1.123 109 L CA 0.019 54.854 54.840 -0.008 0.000 0.890 109 L CB 0.271 42.524 42.059 0.322 0.000 1.103 109 L HN 0.322 nan 8.230 nan 0.000 0.468 110 Q N 0.875 120.331 119.800 -0.574 0.000 2.288 110 Q HA 0.349 4.688 4.340 -0.000 0.000 0.258 110 Q C 0.836 176.517 176.000 -0.531 0.000 0.957 110 Q CA 0.610 55.753 55.803 -1.101 0.000 0.919 110 Q CB 0.858 29.182 28.738 -0.689 0.000 1.185 110 Q HN 0.276 nan 8.270 nan 0.000 0.408 111 G N 3.368 111.889 108.800 -0.465 0.000 2.149 111 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.235 111 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.235 111 G C -0.281 174.536 174.900 -0.138 0.000 1.018 111 G CA -0.143 44.833 45.100 -0.208 0.000 0.728 111 G HN 0.538 nan 8.290 nan 0.000 0.508 112 R N -0.634 119.809 120.500 -0.095 0.000 2.943 112 R HA 0.684 5.024 4.340 -0.000 0.000 0.246 112 R C -0.053 176.243 176.300 -0.006 0.000 1.201 112 R CA -0.689 55.345 56.100 -0.110 0.000 1.056 112 R CB 0.949 31.103 30.300 -0.243 0.000 1.243 112 R HN 0.258 nan 8.270 nan 0.000 0.498 113 K N 0.606 120.950 120.400 -0.093 0.000 2.323 113 K HA 0.344 4.664 4.320 -0.000 0.000 0.259 113 K C -0.524 175.965 176.600 -0.185 0.000 0.947 113 K CA -0.424 55.813 56.287 -0.082 0.000 0.819 113 K CB 1.930 34.401 32.500 -0.048 0.000 1.109 113 K HN 0.696 nan 8.250 nan 0.000 0.429 114 S N 0.531 116.076 115.700 -0.258 0.000 2.600 114 S HA 0.586 5.056 4.470 -0.000 0.000 0.300 114 S C -0.464 174.044 174.600 -0.153 0.000 1.087 114 S CA -0.857 57.152 58.200 -0.318 0.000 0.965 114 S CB 1.120 63.984 63.200 -0.560 0.000 1.089 114 S HN 0.598 nan 8.310 nan 0.000 0.496 115 c N 2.644 121.102 118.600 -0.235 0.000 2.351 115 c HA 0.709 5.278 4.570 -0.000 0.000 0.326 115 c C -0.235 173.748 174.090 -0.179 0.000 1.272 115 c CA -0.515 55.730 56.329 -0.141 0.000 1.650 115 c CB -0.322 42.064 42.510 -0.207 0.000 2.257 115 c HN 0.879 nan 8.230 nan 0.000 0.505 116 H N 0.880 120.018 119.070 0.114 0.000 2.690 116 H HA 0.261 4.817 4.556 -0.000 0.000 0.368 116 H C 0.796 176.162 175.328 0.063 0.000 1.150 116 H CA 0.009 56.163 56.048 0.177 0.000 1.174 116 H CB 2.223 32.113 29.762 0.214 0.000 1.684 116 H HN 0.736 nan 8.280 nan 0.000 0.538 117 T N -0.058 114.571 114.554 0.125 0.000 2.904 117 T HA 0.186 4.536 4.350 -0.000 0.000 0.267 117 T C 0.936 175.470 174.700 -0.276 0.000 1.059 117 T CA 0.676 62.694 62.100 -0.137 0.000 1.137 117 T CB 0.279 68.985 68.868 -0.270 0.000 0.879 117 T HN 0.754 nan 8.240 nan 0.000 0.467 118 G N 0.369 109.130 108.800 -0.064 0.000 2.377 118 G HA2 0.439 4.398 3.960 -0.000 0.000 0.297 118 G HA3 0.439 4.398 3.960 -0.000 0.000 0.297 118 G C -2.031 172.815 174.900 -0.091 0.000 1.547 118 G CA -0.910 44.142 45.100 -0.080 0.000 0.833 118 G HN 0.395 nan 8.290 nan 0.000 0.583 119 L N 1.654 122.727 121.223 -0.250 0.000 2.361 119 L HA 0.566 4.906 4.340 -0.000 0.000 0.278 119 L C 1.359 177.952 176.870 -0.461 0.000 1.113 119 L CA 1.698 56.140 54.840 -0.663 0.000 0.849 119 L CB 0.616 42.295 42.059 -0.634 0.000 1.155 119 L HN 2.212 nan 8.230 nan 0.000 0.452 120 G N 3.504 111.975 108.800 -0.548 0.000 2.137 120 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.237 120 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.237 120 G C 0.498 175.485 174.900 0.144 0.000 1.002 120 G CA 0.199 45.277 45.100 -0.038 0.000 0.702 120 G HN 0.644 nan 8.290 nan 0.000 0.515 121 R N -0.186 120.432 120.500 0.197 0.000 2.598 121 R HA 0.619 4.959 4.340 -0.000 0.000 0.279 121 R C 1.594 178.076 176.300 0.304 0.000 0.984 121 R CA -0.042 56.175 56.100 0.194 0.000 0.999 121 R CB 0.931 31.274 30.300 0.071 0.000 1.114 121 R HN 0.162 nan 8.270 nan 0.000 0.493 122 S N 1.296 117.201 115.700 0.342 0.000 2.363 122 S HA -0.227 4.243 4.470 -0.000 0.000 0.218 122 S C 1.842 176.665 174.600 0.372 0.000 1.035 122 S CA 1.702 60.146 58.200 0.407 0.000 1.043 122 S CB -0.260 63.190 63.200 0.416 0.000 0.986 122 S HN 0.782 nan 8.310 nan 0.000 0.423 123 A N 1.008 124.110 122.820 0.469 0.000 1.968 123 A HA 0.201 4.520 4.320 -0.000 0.000 0.217 123 A C 2.226 180.037 177.584 0.378 0.000 1.169 123 A CA 1.516 53.834 52.037 0.469 0.000 0.638 123 A CB -1.075 18.348 19.000 0.705 0.000 0.812 123 A HN 0.537 nan 8.150 nan 0.000 0.446 124 G N -2.753 106.246 108.800 0.331 0.000 2.551 124 G HA2 0.014 3.974 3.960 -0.000 0.000 0.216 124 G HA3 0.014 3.974 3.960 -0.000 0.000 0.216 124 G C 1.227 176.390 174.900 0.439 0.000 1.137 124 G CA 0.820 46.121 45.100 0.336 0.000 0.798 124 G HN 0.628 nan 8.290 nan 0.000 0.536 125 W N -0.395 120.965 121.300 0.100 0.000 4.712 125 W HA 0.159 4.819 4.660 -0.000 0.000 0.191 125 W C 1.927 178.430 176.519 -0.026 0.000 1.193 125 W CA -0.123 57.232 57.345 0.017 0.000 2.258 125 W CB -0.287 29.162 29.460 -0.017 0.000 0.953 125 W HN 0.065 nan 8.180 nan 0.000 0.923 126 I N 1.983 122.618 120.570 0.108 0.000 2.113 126 I HA -0.387 3.783 4.170 -0.000 0.000 0.242 126 I C 2.280 178.322 176.117 -0.124 0.000 1.064 126 I CA 1.661 62.930 61.300 -0.052 0.000 1.320 126 I CB -0.681 37.349 38.000 0.049 0.000 1.028 126 I HN -0.036 nan 8.210 nan 0.000 0.406 127 I N 0.648 121.220 120.570 0.004 0.000 2.202 127 I HA -0.139 4.031 4.170 -0.000 0.000 0.242 127 I C -0.154 175.934 176.117 -0.048 0.000 1.091 127 I CA 1.711 63.024 61.300 0.022 0.000 1.368 127 I CB -2.927 35.154 38.000 0.135 0.000 1.058 127 I HN 0.196 nan 8.210 nan 0.000 0.410 128 P HA -0.086 nan 4.420 nan 0.000 0.220 128 P C 1.798 178.911 177.300 -0.313 0.000 1.152 128 P CA 1.170 64.127 63.100 -0.238 0.000 0.812 128 P CB -0.073 31.245 31.700 -0.637 0.000 0.792 129 M N -0.757 118.564 119.600 -0.464 0.000 2.476 129 M HA 0.075 4.555 4.480 -0.000 0.000 0.262 129 M C 2.065 178.170 176.300 -0.326 0.000 1.079 129 M CA 1.055 56.036 55.300 -0.532 0.000 1.104 129 M CB -1.777 30.250 32.600 -0.956 0.000 1.409 129 M HN -0.034 nan 8.290 nan 0.000 0.467 130 G N -0.395 108.271 108.800 -0.224 0.000 2.712 130 G HA2 0.028 3.987 3.960 -0.000 0.000 0.212 130 G HA3 0.028 3.987 3.960 -0.000 0.000 0.212 130 G C 1.418 176.268 174.900 -0.082 0.000 1.142 130 G CA 0.053 45.072 45.100 -0.135 0.000 0.789 130 G HN 0.310 nan 8.290 nan 0.000 0.535 131 I N 0.314 120.847 120.570 -0.062 0.000 2.927 131 I HA 0.187 4.357 4.170 -0.000 0.000 0.268 131 I C 2.408 178.567 176.117 0.070 0.000 1.153 131 I CA 0.425 61.736 61.300 0.018 0.000 1.459 131 I CB -0.859 37.184 38.000 0.072 0.000 1.149 131 I HN 0.116 nan 8.210 nan 0.000 0.443 132 L N 0.311 121.538 121.223 0.007 0.000 2.395 132 L HA -0.001 4.339 4.340 -0.000 0.000 0.218 132 L C 2.542 179.342 176.870 -0.116 0.000 1.130 132 L CA 0.395 55.259 54.840 0.040 0.000 0.826 132 L CB -0.491 41.445 42.059 -0.205 0.000 0.941 132 L HN 0.224 nan 8.230 nan 0.000 0.451 133 R N 0.714 121.114 120.500 -0.167 0.000 2.204 133 R HA -0.203 4.136 4.340 -0.000 0.000 0.253 133 R C -0.507 175.699 176.300 -0.156 0.000 1.172 133 R CA 1.635 57.651 56.100 -0.141 0.000 0.994 133 R CB -0.774 29.494 30.300 -0.053 0.000 0.874 133 R HN 0.312 nan 8.270 nan 0.000 0.462 134 P HA -0.052 nan 4.420 nan 0.000 0.224 134 P C 0.196 177.274 177.300 -0.370 0.000 1.157 134 P CA 1.039 63.914 63.100 -0.374 0.000 0.799 134 P CB 0.073 31.419 31.700 -0.589 0.000 0.809 135 Y N -1.801 118.432 120.300 -0.112 0.000 2.519 135 Y HA 0.043 4.592 4.550 -0.000 0.000 0.287 135 Y C 1.944 177.747 175.900 -0.163 0.000 1.128 135 Y CA 0.118 58.168 58.100 -0.084 0.000 1.282 135 Y CB -1.105 37.324 38.460 -0.053 0.000 1.027 135 Y HN -0.163 nan 8.280 nan 0.000 0.551 136 L N -0.198 120.905 121.223 -0.200 0.000 2.083 136 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 136 L C 1.078 177.955 176.870 0.012 0.000 1.083 136 L CA 1.380 56.074 54.840 -0.243 0.000 0.752 136 L CB -0.690 41.212 42.059 -0.262 0.000 0.899 136 L HN 0.171 nan 8.230 nan 0.000 0.433 137 S N -2.139 113.594 115.700 0.056 0.000 3.858 137 S HA -0.208 4.262 4.470 -0.000 0.000 0.356 137 S C -0.310 174.387 174.600 0.161 0.000 1.013 137 S CA 0.422 58.676 58.200 0.090 0.000 1.083 137 S CB -2.232 61.025 63.200 0.094 0.000 0.883 137 S HN 0.464 nan 8.310 nan 0.000 0.475 138 W N 2.971 124.236 121.300 -0.058 0.000 2.345 138 W HA 0.541 5.200 4.660 -0.000 0.000 0.308 138 W C -0.313 176.186 176.519 -0.034 0.000 1.273 138 W CA -0.557 56.759 57.345 -0.048 0.000 1.243 138 W CB 0.288 29.703 29.460 -0.074 0.000 1.260 138 W HN 0.150 nan 8.180 nan 0.000 0.509 139 T N 7.076 121.732 114.554 0.169 0.000 2.947 139 T HA 0.065 4.415 4.350 -0.000 0.000 0.337 139 T C 0.921 175.581 174.700 -0.066 0.000 1.139 139 T CA -0.410 61.669 62.100 -0.035 0.000 0.992 139 T CB 0.765 69.652 68.868 0.032 0.000 1.043 139 T HN 0.353 nan 8.240 nan 0.000 0.498 140 E N 1.337 121.245 120.200 -0.488 0.000 2.219 140 E HA -0.134 4.215 4.350 -0.000 0.000 0.198 140 E C 2.031 178.587 176.600 -0.072 0.000 0.998 140 E CA 1.254 57.357 56.400 -0.495 0.000 0.818 140 E CB -0.044 29.188 29.700 -0.781 0.000 0.741 140 E HN 0.570 nan 8.360 nan 0.000 0.477 141 S N 0.116 115.782 115.700 -0.058 0.000 2.387 141 S HA -0.075 4.395 4.470 -0.000 0.000 0.226 141 S C 1.922 176.553 174.600 0.053 0.000 1.026 141 S CA 0.586 58.785 58.200 -0.003 0.000 0.972 141 S CB -0.195 62.993 63.200 -0.020 0.000 0.814 141 S HN 0.161 nan 8.310 nan 0.000 0.477 142 L N 1.544 122.814 121.223 0.079 0.000 2.044 142 L HA 0.097 4.437 4.340 -0.000 0.000 0.205 142 L C 0.898 177.851 176.870 0.137 0.000 1.075 142 L CA 1.153 56.052 54.840 0.098 0.000 0.747 142 L CB -0.042 42.076 42.059 0.098 0.000 0.903 142 L HN 0.470 nan 8.230 nan 0.000 0.435 143 E N -1.102 119.225 120.200 0.211 0.000 2.456 143 E HA 0.428 4.778 4.350 -0.000 0.000 0.276 143 E C -2.826 173.979 176.600 0.342 0.000 0.981 143 E CA -2.113 54.425 56.400 0.230 0.000 0.814 143 E CB 1.678 31.497 29.700 0.198 0.000 1.382 143 E HN -0.157 nan 8.360 nan 0.000 0.459 144 P HA 0.106 nan 4.420 nan 0.000 0.293 144 P C 0.899 178.080 177.300 -0.200 0.000 1.304 144 P CA -0.584 62.636 63.100 0.200 0.000 0.767 144 P CB 1.036 32.799 31.700 0.105 0.000 1.247 145 L N 0.325 121.223 121.223 -0.542 0.000 2.131 145 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 145 L C 2.530 179.033 176.870 -0.612 0.000 1.092 145 L CA 1.960 56.100 54.840 -1.167 0.000 0.759 145 L CB -1.246 40.261 42.059 -0.919 0.000 0.903 145 L HN 0.274 nan 8.230 nan 0.000 0.435 146 Q N -0.909 118.659 119.800 -0.386 0.000 2.167 146 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 146 Q C 2.089 177.735 176.000 -0.590 0.000 0.970 146 Q CA 1.229 56.732 55.803 -0.500 0.000 0.855 146 Q CB -0.490 27.784 28.738 -0.773 0.000 0.911 146 Q HN 0.672 nan 8.270 nan 0.000 0.438 147 G N 0.489 109.105 108.800 -0.306 0.000 2.430 147 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.216 147 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.216 147 G C 1.415 176.303 174.900 -0.020 0.000 1.146 147 G CA 0.633 45.761 45.100 0.046 0.000 0.793 147 G HN 0.386 nan 8.290 nan 0.000 0.537 148 A N 0.029 122.729 122.820 -0.200 0.000 1.970 148 A HA 0.281 4.601 4.320 -0.000 0.000 0.216 148 A C 2.463 179.967 177.584 -0.133 0.000 1.170 148 A CA 1.205 53.140 52.037 -0.169 0.000 0.645 148 A CB -0.244 18.534 19.000 -0.369 0.000 0.816 148 A HN 0.186 nan 8.150 nan 0.000 0.447 149 V N -0.152 119.645 119.914 -0.195 0.000 2.453 149 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 149 V C 3.018 179.176 176.094 0.108 0.000 1.048 149 V CA 1.643 63.891 62.300 -0.086 0.000 1.049 149 V CB -0.932 30.842 31.823 -0.081 0.000 0.672 149 V HN 0.579 nan 8.190 nan 0.000 0.457 150 A N 1.180 124.047 122.820 0.079 0.000 1.908 150 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 150 A C 2.148 179.832 177.584 0.167 0.000 1.181 150 A CA 2.037 54.173 52.037 0.165 0.000 0.627 150 A CB -0.360 18.781 19.000 0.236 0.000 0.818 150 A HN 0.696 nan 8.150 nan 0.000 0.445 151 K N -1.942 118.538 120.400 0.133 0.000 2.444 151 K HA 0.138 4.457 4.320 -0.000 0.000 0.193 151 K C 1.465 178.126 176.600 0.102 0.000 1.024 151 K CA 0.462 56.816 56.287 0.111 0.000 1.077 151 K CB -0.190 32.369 32.500 0.098 0.000 0.833 151 K HN 0.385 nan 8.250 nan 0.000 0.517 152 F N 1.692 121.594 119.950 -0.079 0.000 2.123 152 F HA 0.198 4.725 4.527 -0.000 0.000 0.289 152 F C 0.375 176.059 175.800 -0.192 0.000 1.099 152 F CA 0.183 58.057 58.000 -0.210 0.000 1.234 152 F CB 0.134 38.881 39.000 -0.422 0.000 1.034 152 F HN -0.215 nan 8.300 nan 0.000 0.479 153 F N 0.423 120.378 119.950 0.008 0.000 2.370 153 F HA 0.286 4.813 4.527 -0.000 0.000 0.319 153 F C 1.607 177.387 175.800 -0.033 0.000 1.129 153 F CA -0.250 57.700 58.000 -0.083 0.000 1.109 153 F CB 0.613 39.679 39.000 0.109 0.000 1.262 153 F HN -0.108 nan 8.300 nan 0.000 0.534 154 S N 0.551 116.346 115.700 0.159 0.000 2.310 154 S HA 0.356 4.826 4.470 -0.000 0.000 0.201 154 S C 0.591 175.260 174.600 0.116 0.000 1.032 154 S CA 0.382 58.636 58.200 0.090 0.000 0.993 154 S CB -0.538 62.684 63.200 0.037 0.000 0.970 154 S HN 0.671 nan 8.310 nan 0.000 0.446 155 A N 0.234 123.108 122.820 0.091 0.000 2.281 155 A HA 0.843 5.163 4.320 -0.000 0.000 0.329 155 A C -0.006 177.629 177.584 0.086 0.000 1.122 155 A CA -0.486 51.602 52.037 0.084 0.000 0.850 155 A CB 1.434 20.468 19.000 0.055 0.000 1.207 155 A HN 0.384 nan 8.150 nan 0.000 0.495 156 S N -2.128 113.626 115.700 0.091 0.000 2.643 156 S HA 0.467 4.936 4.470 -0.000 0.000 0.266 156 S C -1.805 172.866 174.600 0.120 0.000 1.130 156 S CA -0.091 58.162 58.200 0.089 0.000 0.817 156 S CB 1.204 64.472 63.200 0.114 0.000 1.107 156 S HN 1.600 nan 8.310 nan 0.000 0.471 157 c N 2.845 121.535 118.600 0.151 0.000 2.571 157 c HA 0.777 5.347 4.570 -0.000 0.000 0.343 157 c C -1.545 172.671 174.090 0.210 0.000 1.082 157 c CA -0.065 56.367 56.329 0.173 0.000 1.339 157 c CB -0.858 41.780 42.510 0.214 0.000 1.893 157 c HN 0.583 nan 8.230 nan 0.000 0.445 158 V N 8.130 128.131 119.914 0.145 0.000 2.385 158 V HA 0.387 4.507 4.120 -0.000 0.000 0.277 158 V C -2.290 173.830 176.094 0.043 0.000 1.012 158 V CA -1.175 61.179 62.300 0.090 0.000 0.832 158 V CB 1.399 33.169 31.823 -0.088 0.000 1.028 158 V HN 0.669 nan 8.190 nan 0.000 0.436 159 P HA 0.316 nan 4.420 nan 0.000 0.272 159 P C 0.534 177.868 177.300 0.057 0.000 1.223 159 P CA 0.115 63.303 63.100 0.147 0.000 0.784 159 P CB 0.518 32.454 31.700 0.393 0.000 0.923 160 c N -0.845 117.754 118.600 -0.001 0.000 5.461 160 c HA -0.131 4.439 4.570 -0.000 0.000 0.227 160 c C 0.854 174.852 174.090 -0.153 0.000 1.350 160 c CA -0.621 55.644 56.329 -0.106 0.000 1.285 160 c CB -2.684 39.766 42.510 -0.100 0.000 2.111 160 c HN 0.534 nan 8.230 nan 0.000 0.625 161 I N 2.394 122.888 120.570 -0.127 0.000 2.638 161 I HA 0.224 4.394 4.170 -0.000 0.000 0.286 161 I C 0.668 176.767 176.117 -0.029 0.000 1.088 161 I CA 0.405 61.636 61.300 -0.115 0.000 1.397 161 I CB 0.414 38.344 38.000 -0.115 0.000 1.414 161 I HN 0.221 nan 8.210 nan 0.000 0.566 162 D N 5.560 125.984 120.400 0.041 0.000 2.346 162 D HA -0.023 4.617 4.640 -0.000 0.000 0.267 162 D C 1.342 177.688 176.300 0.077 0.000 1.320 162 D CA 0.249 54.285 54.000 0.060 0.000 0.951 162 D CB 0.250 41.111 40.800 0.102 0.000 1.079 162 D HN 0.412 nan 8.370 nan 0.000 0.509 163 R N 3.123 123.637 120.500 0.024 0.000 2.096 163 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 163 R C 1.834 178.136 176.300 0.004 0.000 1.127 163 R CA 1.499 57.613 56.100 0.023 0.000 0.968 163 R CB 0.087 30.390 30.300 0.005 0.000 0.861 163 R HN 0.524 nan 8.270 nan 0.000 0.440 164 Q N -0.694 119.093 119.800 -0.022 0.000 2.123 164 Q HA -0.055 4.285 4.340 -0.000 0.000 0.199 164 Q C 1.723 177.662 176.000 -0.102 0.000 0.966 164 Q CA 1.451 57.225 55.803 -0.048 0.000 0.845 164 Q CB 0.045 28.756 28.738 -0.046 0.000 0.907 164 Q HN 0.455 nan 8.270 nan 0.000 0.439 165 A N -0.663 122.060 122.820 -0.161 0.000 1.943 165 A HA 0.016 4.336 4.320 -0.000 0.000 0.213 165 A C -0.060 177.145 177.584 -0.631 0.000 1.181 165 A CA 0.513 52.297 52.037 -0.422 0.000 0.653 165 A CB 0.145 18.818 19.000 -0.546 0.000 0.833 165 A HN 0.436 nan 8.150 nan 0.000 0.451 166 Y N -1.255 119.044 120.300 -0.001 0.000 2.535 166 Y HA 0.340 4.889 4.550 -0.000 0.000 0.351 166 Y C -2.228 173.682 175.900 0.017 0.000 1.050 166 Y CA -2.107 56.000 58.100 0.012 0.000 1.168 166 Y CB 0.853 39.318 38.460 0.009 0.000 1.116 166 Y HN 0.179 nan 8.280 nan 0.000 0.654 167 P HA -0.136 nan 4.420 nan 0.000 0.220 167 P C 1.011 178.364 177.300 0.088 0.000 1.148 167 P CA 1.429 64.572 63.100 0.071 0.000 0.803 167 P CB 0.360 32.081 31.700 0.035 0.000 0.782 168 N N 0.165 118.933 118.700 0.112 0.000 2.396 168 N HA -0.082 4.657 4.740 -0.000 0.000 0.180 168 N C 1.391 176.980 175.510 0.131 0.000 1.028 168 N CA 0.964 54.083 53.050 0.115 0.000 0.893 168 N CB -1.410 37.152 38.487 0.125 0.000 0.967 168 N HN 0.233 nan 8.380 nan 0.000 0.440 169 L N -0.868 120.442 121.223 0.146 0.000 2.591 169 L HA 0.178 4.517 4.340 -0.000 0.000 0.228 169 L C 0.811 177.742 176.870 0.103 0.000 1.133 169 L CA 0.044 54.962 54.840 0.129 0.000 0.880 169 L CB 0.059 42.184 42.059 0.110 0.000 1.033 169 L HN 0.191 nan 8.230 nan 0.000 0.450 170 c N -1.455 117.204 118.600 0.099 0.000 3.642 170 c HA 0.047 4.617 4.570 -0.000 0.000 0.305 170 c C 2.369 176.509 174.090 0.082 0.000 1.492 170 c CA -0.404 55.976 56.329 0.085 0.000 1.809 170 c CB 0.258 42.807 42.510 0.066 0.000 2.639 170 c HN 0.483 nan 8.230 nan 0.000 0.672 171 Q N 0.765 120.615 119.800 0.083 0.000 2.170 171 Q HA -0.058 4.281 4.340 -0.000 0.000 0.203 171 Q C 1.617 177.664 176.000 0.078 0.000 0.976 171 Q CA 1.321 57.167 55.803 0.071 0.000 0.858 171 Q CB 0.058 28.838 28.738 0.069 0.000 0.907 171 Q HN 0.651 nan 8.270 nan 0.000 0.433 172 L N 0.003 121.287 121.223 0.102 0.000 2.592 172 L HA 0.103 4.443 4.340 -0.000 0.000 0.227 172 L C 0.597 177.591 176.870 0.207 0.000 1.127 172 L CA -0.588 54.331 54.840 0.132 0.000 0.884 172 L CB 0.266 42.395 42.059 0.116 0.000 1.065 172 L HN 0.154 nan 8.230 nan 0.000 0.457 173 c N 1.212 119.911 118.600 0.165 0.000 2.648 173 c HA -0.022 4.548 4.570 -0.000 0.000 0.415 173 c C 1.998 176.088 174.090 -0.001 0.000 1.366 173 c CA -0.221 56.203 56.329 0.158 0.000 1.756 173 c CB 0.081 42.660 42.510 0.116 0.000 2.549 173 c HN 0.370 nan 8.230 nan 0.000 0.597 174 K N 1.892 122.144 120.400 -0.247 0.000 2.551 174 K HA 0.040 4.360 4.320 -0.000 0.000 0.192 174 K C 1.153 177.614 176.600 -0.231 0.000 1.027 174 K CA -0.057 55.977 56.287 -0.422 0.000 1.059 174 K CB 0.003 31.843 32.500 -1.100 0.000 0.831 174 K HN 0.954 nan 8.250 nan 0.000 0.508 175 G N 0.851 109.579 108.800 -0.121 0.000 2.606 175 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.252 175 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.252 175 G C -0.671 174.199 174.900 -0.049 0.000 1.206 175 G CA -0.385 44.673 45.100 -0.069 0.000 0.861 175 G HN 0.178 nan 8.290 nan 0.000 0.561 176 E N -0.467 119.711 120.200 -0.036 0.000 2.343 176 E HA 0.463 4.813 4.350 -0.000 0.000 0.269 176 E C 0.994 177.583 176.600 -0.018 0.000 1.047 176 E CA 0.105 56.490 56.400 -0.025 0.000 0.874 176 E CB 0.759 30.447 29.700 -0.020 0.000 1.033 176 E HN 0.591 nan 8.360 nan 0.000 0.409 177 G N 3.006 111.798 108.800 -0.014 0.000 2.224 177 G HA2 -0.026 3.933 3.960 -0.000 0.000 0.239 177 G HA3 -0.026 3.933 3.960 -0.000 0.000 0.239 177 G C -0.377 174.517 174.900 -0.010 0.000 1.240 177 G CA 0.625 45.719 45.100 -0.010 0.000 0.896 177 G HN 0.838 nan 8.290 nan 0.000 0.496 178 E N 0.760 120.955 120.200 -0.010 0.000 3.181 178 E HA -0.227 4.123 4.350 -0.000 0.000 0.293 178 E C 0.714 177.306 176.600 -0.012 0.000 0.936 178 E CA 0.980 57.373 56.400 -0.010 0.000 0.975 178 E CB -1.379 28.316 29.700 -0.009 0.000 1.496 178 E HN 0.690 nan 8.360 nan 0.000 0.429 179 N N -0.350 118.342 118.700 -0.014 0.000 1.863 179 N HA -0.059 4.681 4.740 -0.000 0.000 0.226 179 N C -0.310 175.188 175.510 -0.019 0.000 1.421 179 N CA -0.025 53.014 53.050 -0.019 0.000 0.746 179 N CB 0.611 39.087 38.487 -0.018 0.000 1.059 179 N HN 0.175 nan 8.380 nan 0.000 0.518 180 Q N 1.200 120.991 119.800 -0.014 0.000 2.288 180 Q HA 0.143 4.482 4.340 -0.000 0.000 0.254 180 Q C 0.324 176.327 176.000 0.004 0.000 0.932 180 Q CA 0.535 56.333 55.803 -0.007 0.000 0.902 180 Q CB 0.939 29.673 28.738 -0.006 0.000 1.203 180 Q HN 0.394 nan 8.270 nan 0.000 0.415 181 c N 2.732 121.347 118.600 0.026 0.000 4.456 181 c HA -0.188 4.381 4.570 -0.000 0.000 0.288 181 c C 0.619 174.719 174.090 0.017 0.000 1.374 181 c CA 0.334 56.691 56.329 0.047 0.000 1.956 181 c CB -2.124 40.410 42.510 0.041 0.000 1.255 181 c HN 0.905 nan 8.230 nan 0.000 0.788 182 A N -0.457 122.356 122.820 -0.012 0.000 2.346 182 A HA 0.492 4.812 4.320 -0.000 0.000 0.252 182 A C 0.809 178.312 177.584 -0.135 0.000 1.089 182 A CA 0.640 52.633 52.037 -0.073 0.000 0.797 182 A CB 0.239 19.190 19.000 -0.082 0.000 1.047 182 A HN 1.411 nan 8.150 nan 0.000 0.494 183 c N 2.149 120.623 118.600 -0.210 0.000 2.687 183 c HA 0.591 5.160 4.570 -0.000 0.000 0.465 183 c C 0.844 174.488 174.090 -0.743 0.000 1.304 183 c CA 0.522 56.672 56.329 -0.299 0.000 1.620 183 c CB -3.131 39.262 42.510 -0.196 0.000 2.212 183 c HN 1.067 nan 8.230 nan 0.000 0.616 184 S N -1.089 113.859 115.700 -1.254 0.000 2.671 184 S HA 0.239 4.709 4.470 -0.000 0.000 0.270 184 S C 0.658 174.760 174.600 -0.830 0.000 1.166 184 S CA 0.223 57.700 58.200 -1.205 0.000 0.868 184 S CB 0.386 63.343 63.200 -0.405 0.000 1.190 184 S HN 0.256 nan 8.310 nan 0.000 0.494 185 S N 0.700 116.223 115.700 -0.294 0.000 2.440 185 S HA -0.119 4.351 4.470 -0.000 0.000 0.240 185 S C 1.711 176.314 174.600 0.005 0.000 1.014 185 S CA 1.328 59.528 58.200 -0.000 0.000 0.980 185 S CB -0.597 62.635 63.200 0.054 0.000 0.775 185 S HN 0.607 nan 8.310 nan 0.000 0.499 186 R N 1.171 121.634 120.500 -0.060 0.000 2.103 186 R HA -0.065 4.275 4.340 -0.000 0.000 0.242 186 R C 0.978 177.269 176.300 -0.015 0.000 1.142 186 R CA 1.303 57.381 56.100 -0.036 0.000 0.960 186 R CB -0.157 30.108 30.300 -0.060 0.000 0.858 186 R HN 0.361 nan 8.270 nan 0.000 0.439 187 E N 0.375 120.570 120.200 -0.008 0.000 2.259 187 E HA 0.075 4.425 4.350 -0.000 0.000 0.281 187 E C -2.100 174.571 176.600 0.119 0.000 1.027 187 E CA -2.210 54.221 56.400 0.052 0.000 0.838 187 E CB 1.481 31.252 29.700 0.118 0.000 1.066 187 E HN -0.154 nan 8.360 nan 0.000 0.401 188 P HA -0.038 nan 4.420 nan 0.000 0.227 188 P C -0.075 177.390 177.300 0.276 0.000 1.161 188 P CA 0.721 63.873 63.100 0.087 0.000 0.788 188 P CB 0.157 31.802 31.700 -0.092 0.000 0.822 189 Y N -2.053 118.323 120.300 0.128 0.000 2.461 189 Y HA 0.257 4.806 4.550 -0.000 0.000 0.277 189 Y C 0.783 176.773 175.900 0.149 0.000 1.182 189 Y CA -1.770 56.400 58.100 0.116 0.000 1.276 189 Y CB -1.318 37.191 38.460 0.083 0.000 1.087 189 Y HN -0.079 nan 8.280 nan 0.000 0.519 190 F N 0.694 120.758 119.950 0.189 0.000 2.410 190 F HA 0.506 5.033 4.527 -0.000 0.000 0.334 190 F C 1.000 176.858 175.800 0.098 0.000 1.134 190 F CA 0.815 58.884 58.000 0.115 0.000 1.227 190 F CB 0.452 39.501 39.000 0.081 0.000 1.194 190 F HN 0.263 nan 8.300 nan 0.000 0.571 191 G N 4.129 112.465 108.800 -0.772 0.000 2.728 191 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.294 191 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.294 191 G C -0.302 174.469 174.900 -0.215 0.000 1.342 191 G CA -0.037 44.761 45.100 -0.504 0.000 0.866 191 G HN 0.738 nan 8.290 nan 0.000 0.534 192 Y N 0.228 120.479 120.300 -0.081 0.000 2.220 192 Y HA 0.047 4.597 4.550 -0.000 0.000 0.291 192 Y C 3.378 179.273 175.900 -0.008 0.000 1.129 192 Y CA 2.135 60.206 58.100 -0.048 0.000 1.161 192 Y CB -0.519 37.885 38.460 -0.094 0.000 0.997 192 Y HN 0.436 nan 8.280 nan 0.000 0.522 193 S N -0.457 115.356 115.700 0.187 0.000 2.406 193 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 193 S C 2.317 177.025 174.600 0.181 0.000 1.020 193 S CA 0.999 59.297 58.200 0.164 0.000 0.965 193 S CB -0.726 62.553 63.200 0.131 0.000 0.798 193 S HN 0.638 nan 8.310 nan 0.000 0.488 194 G N 1.051 109.945 108.800 0.157 0.000 2.421 194 G HA2 0.033 3.993 3.960 -0.000 0.000 0.217 194 G HA3 0.033 3.993 3.960 -0.000 0.000 0.217 194 G C 1.489 176.421 174.900 0.054 0.000 1.143 194 G CA 0.748 45.965 45.100 0.195 0.000 0.784 194 G HN 0.540 nan 8.290 nan 0.000 0.541 195 A N 0.361 123.198 122.820 0.027 0.000 1.930 195 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 195 A C 2.096 179.628 177.584 -0.087 0.000 1.175 195 A CA 1.323 53.330 52.037 -0.050 0.000 0.627 195 A CB -0.467 18.546 19.000 0.022 0.000 0.815 195 A HN 0.372 nan 8.150 nan 0.000 0.443 196 F N 0.521 120.386 119.950 -0.142 0.000 2.259 196 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 196 F C 2.027 177.713 175.800 -0.189 0.000 1.088 196 F CA 1.735 59.626 58.000 -0.182 0.000 1.358 196 F CB -0.069 38.833 39.000 -0.163 0.000 1.040 196 F HN 0.159 nan 8.300 nan 0.000 0.505 197 K N -0.557 119.722 120.400 -0.202 0.000 2.211 197 K HA -0.189 4.130 4.320 -0.000 0.000 0.203 197 K C 2.402 178.716 176.600 -0.477 0.000 1.050 197 K CA 1.206 57.359 56.287 -0.223 0.000 0.945 197 K CB -0.615 31.954 32.500 0.116 0.000 0.732 197 K HN 0.472 nan 8.250 nan 0.000 0.451 198 c N 0.613 118.665 118.600 -0.913 0.000 2.435 198 c HA -0.017 4.552 4.570 -0.000 0.000 0.279 198 c C 2.386 176.193 174.090 -0.471 0.000 1.321 198 c CA 0.313 55.968 56.329 -1.124 0.000 1.752 198 c CB -0.738 41.127 42.510 -1.075 0.000 1.959 198 c HN 0.540 nan 8.230 nan 0.000 0.500 199 L N 0.819 121.795 121.223 -0.412 0.000 2.095 199 L HA 0.002 4.342 4.340 -0.000 0.000 0.204 199 L C 2.691 179.416 176.870 -0.242 0.000 1.080 199 L CA 1.971 56.641 54.840 -0.282 0.000 0.759 199 L CB -0.987 40.896 42.059 -0.293 0.000 0.914 199 L HN 0.441 nan 8.230 nan 0.000 0.439 200 Q N -0.829 118.717 119.800 -0.424 0.000 2.167 200 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 200 Q C 0.770 176.691 176.000 -0.131 0.000 0.970 200 Q CA 1.613 57.229 55.803 -0.312 0.000 0.855 200 Q CB 0.104 28.515 28.738 -0.544 0.000 0.911 200 Q HN 0.489 nan 8.270 nan 0.000 0.438 201 D N -1.045 119.291 120.400 -0.107 0.000 2.340 201 D HA 0.097 4.737 4.640 -0.000 0.000 0.220 201 D C 0.633 176.929 176.300 -0.006 0.000 1.039 201 D CA 0.844 54.841 54.000 -0.005 0.000 0.866 201 D CB 0.251 41.116 40.800 0.110 0.000 0.913 201 D HN 0.463 nan 8.370 nan 0.000 0.523 202 G N 0.597 109.370 108.800 -0.045 0.000 2.198 202 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 202 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 202 G C 1.182 176.071 174.900 -0.019 0.000 1.025 202 G CA 0.592 45.674 45.100 -0.030 0.000 0.769 202 G HN 0.478 nan 8.290 nan 0.000 0.507 203 A N -0.753 122.052 122.820 -0.025 0.000 1.898 203 A HA 0.599 4.919 4.320 -0.000 0.000 0.214 203 A C 1.706 179.272 177.584 -0.031 0.000 1.183 203 A CA 2.036 54.076 52.037 0.006 0.000 0.622 203 A CB -0.037 19.010 19.000 0.079 0.000 0.824 203 A HN 1.842 nan 8.150 nan 0.000 0.444 204 G N -1.402 107.348 108.800 -0.084 0.000 2.473 204 G HA2 0.460 4.420 3.960 -0.000 0.000 0.321 204 G HA3 0.460 4.420 3.960 -0.000 0.000 0.321 204 G C -0.702 174.140 174.900 -0.097 0.000 1.200 204 G CA -0.084 44.954 45.100 -0.103 0.000 0.963 204 G HN 0.084 nan 8.290 nan 0.000 0.483 205 D N -1.195 119.137 120.400 -0.114 0.000 2.323 205 D HA 0.168 4.808 4.640 -0.000 0.000 0.209 205 D C 0.588 176.888 176.300 0.001 0.000 0.973 205 D CA 0.554 54.520 54.000 -0.057 0.000 0.874 205 D CB 0.907 41.581 40.800 -0.210 0.000 0.930 205 D HN 0.231 nan 8.370 nan 0.000 0.521 206 V N -0.579 119.243 119.914 -0.152 0.000 3.048 206 V HA 0.727 4.847 4.120 -0.000 0.000 0.303 206 V C -1.798 174.040 176.094 -0.426 0.000 1.214 206 V CA -0.998 61.157 62.300 -0.242 0.000 0.984 206 V CB 2.038 33.681 31.823 -0.301 0.000 1.054 206 V HN 0.055 nan 8.190 nan 0.000 0.430 207 A N 4.834 127.392 122.820 -0.437 0.000 2.386 207 A HA 0.912 5.231 4.320 -0.000 0.000 0.311 207 A C -1.509 175.794 177.584 -0.468 0.000 1.068 207 A CA -0.387 51.422 52.037 -0.380 0.000 0.743 207 A CB 1.290 20.193 19.000 -0.160 0.000 1.258 207 A HN 0.732 nan 8.150 nan 0.000 0.429 208 F N 2.411 122.291 119.950 -0.117 0.000 2.325 208 F HA 0.504 5.031 4.527 -0.000 0.000 0.369 208 F C 0.600 176.458 175.800 0.097 0.000 1.095 208 F CA -0.285 57.710 58.000 -0.007 0.000 1.082 208 F CB 1.577 40.549 39.000 -0.047 0.000 1.289 208 F HN 0.563 nan 8.300 nan 0.000 0.462 209 V N -0.069 120.007 119.914 0.270 0.000 3.087 209 V HA 0.641 4.761 4.120 -0.000 0.000 0.311 209 V C -0.479 175.760 176.094 0.242 0.000 1.333 209 V CA -1.327 61.173 62.300 0.333 0.000 1.054 209 V CB 1.623 33.569 31.823 0.205 0.000 1.123 209 V HN 0.510 nan 8.190 nan 0.000 0.473 210 K N 0.199 120.581 120.400 -0.030 0.000 2.127 210 K HA 0.381 4.700 4.320 -0.000 0.000 0.240 210 K C 0.919 177.407 176.600 -0.186 0.000 1.024 210 K CA 0.263 56.449 56.287 -0.168 0.000 0.918 210 K CB 0.827 32.931 32.500 -0.661 0.000 1.108 210 K HN 0.808 nan 8.250 nan 0.000 0.485 211 E N 0.431 120.521 120.200 -0.183 0.000 2.338 211 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 211 E C 0.966 177.253 176.600 -0.522 0.000 1.007 211 E CA 1.725 57.918 56.400 -0.346 0.000 0.849 211 E CB -0.353 29.039 29.700 -0.514 0.000 0.774 211 E HN 0.793 nan 8.360 nan 0.000 0.506 212 T N -3.224 111.029 114.554 -0.503 0.000 3.054 212 T HA 0.145 4.494 4.350 -0.000 0.000 0.255 212 T C 1.569 176.095 174.700 -0.290 0.000 1.035 212 T CA 0.413 62.247 62.100 -0.444 0.000 0.941 212 T CB -0.037 68.520 68.868 -0.518 0.000 1.026 212 T HN -0.028 nan 8.240 nan 0.000 0.533 213 T N 1.779 116.123 114.554 -0.351 0.000 2.759 213 T HA -0.061 4.288 4.350 -0.000 0.000 0.269 213 T C 1.841 176.196 174.700 -0.576 0.000 1.042 213 T CA 1.259 63.127 62.100 -0.387 0.000 1.140 213 T CB -0.498 68.180 68.868 -0.316 0.000 0.864 213 T HN 0.261 nan 8.240 nan 0.000 0.455 214 V N 0.200 119.769 119.914 -0.575 0.000 3.041 214 V HA 0.051 4.171 4.120 -0.000 0.000 0.260 214 V C 1.595 177.356 176.094 -0.555 0.000 1.105 214 V CA 1.117 62.903 62.300 -0.856 0.000 1.125 214 V CB -0.610 30.809 31.823 -0.673 0.000 0.730 214 V HN 0.439 nan 8.190 nan 0.000 0.479 215 F N 0.383 120.105 119.950 -0.380 0.000 2.416 215 F HA 0.089 4.616 4.527 -0.000 0.000 0.296 215 F C 2.286 177.950 175.800 -0.226 0.000 1.099 215 F CA 1.087 58.935 58.000 -0.252 0.000 1.427 215 F CB -0.045 38.818 39.000 -0.229 0.000 1.079 215 F HN 0.207 nan 8.300 nan 0.000 0.536 216 E N -0.335 119.809 120.200 -0.093 0.000 2.371 216 E HA -0.046 4.303 4.350 -0.000 0.000 0.194 216 E C 1.251 177.786 176.600 -0.110 0.000 1.012 216 E CA 0.398 56.734 56.400 -0.106 0.000 0.860 216 E CB -0.011 29.605 29.700 -0.140 0.000 0.811 216 E HN 0.329 nan 8.360 nan 0.000 0.502 217 N N -0.078 118.506 118.700 -0.192 0.000 2.348 217 N HA 0.104 4.844 4.740 -0.000 0.000 0.183 217 N C -0.109 175.396 175.510 -0.009 0.000 1.094 217 N CA 0.408 53.404 53.050 -0.090 0.000 0.885 217 N CB 0.973 39.416 38.487 -0.074 0.000 1.065 217 N HN 0.055 nan 8.380 nan 0.000 0.472 218 L N 1.422 122.595 121.223 -0.084 0.000 2.433 218 L HA 0.391 4.730 4.340 -0.000 0.000 0.256 218 L C -1.913 174.927 176.870 -0.051 0.000 1.063 218 L CA -1.443 53.389 54.840 -0.014 0.000 0.922 218 L CB 2.334 44.406 42.059 0.021 0.000 1.238 218 L HN -0.272 nan 8.230 nan 0.000 0.466 219 P HA -0.134 nan 4.420 nan 0.000 0.216 219 P C 0.110 177.404 177.300 -0.010 0.000 1.150 219 P CA 1.282 64.376 63.100 -0.010 0.000 0.837 219 P CB 0.269 31.971 31.700 0.003 0.000 0.786 220 E N -0.774 119.421 120.200 -0.008 0.000 2.277 220 E HA 0.084 4.434 4.350 -0.000 0.000 0.274 220 E C 0.807 177.393 176.600 -0.024 0.000 1.022 220 E CA -0.453 55.942 56.400 -0.008 0.000 0.853 220 E CB 0.972 30.672 29.700 0.001 0.000 1.086 220 E HN 0.039 nan 8.360 nan 0.000 0.397 221 K N 1.656 122.041 120.400 -0.025 0.000 2.209 221 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 221 K C 1.684 178.268 176.600 -0.028 0.000 1.048 221 K CA 1.194 57.458 56.287 -0.040 0.000 0.940 221 K CB 0.002 32.488 32.500 -0.023 0.000 0.729 221 K HN 0.513 nan 8.250 nan 0.000 0.451 222 A N 1.525 124.336 122.820 -0.015 0.000 1.908 222 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 222 A C 1.679 179.258 177.584 -0.007 0.000 1.181 222 A CA 2.004 54.033 52.037 -0.013 0.000 0.627 222 A CB -0.414 18.581 19.000 -0.009 0.000 0.818 222 A HN 0.372 nan 8.150 nan 0.000 0.445 223 D N -1.245 119.163 120.400 0.015 0.000 2.234 223 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 223 D C 1.998 178.370 176.300 0.120 0.000 0.962 223 D CA 0.551 54.586 54.000 0.057 0.000 0.855 223 D CB -0.153 40.700 40.800 0.088 0.000 0.951 223 D HN 0.388 nan 8.370 nan 0.000 0.500 224 R N 0.622 121.157 120.500 0.057 0.000 2.276 224 R HA -0.037 4.303 4.340 -0.000 0.000 0.203 224 R C 0.993 177.312 176.300 0.031 0.000 1.017 224 R CA 0.412 56.537 56.100 0.041 0.000 1.010 224 R CB 0.287 30.487 30.300 -0.167 0.000 0.900 224 R HN 0.039 nan 8.270 nan 0.000 0.469 225 D N 0.565 120.961 120.400 -0.006 0.000 2.347 225 D HA -0.115 4.525 4.640 -0.000 0.000 0.213 225 D C 1.495 177.751 176.300 -0.074 0.000 0.985 225 D CA 0.789 54.769 54.000 -0.033 0.000 0.879 225 D CB 0.253 41.030 40.800 -0.038 0.000 0.919 225 D HN 0.420 nan 8.370 nan 0.000 0.526 226 Q N -0.526 119.191 119.800 -0.137 0.000 2.365 226 Q HA -0.030 4.310 4.340 -0.000 0.000 0.203 226 Q C -0.449 175.194 176.000 -0.595 0.000 0.929 226 Q CA 0.145 55.744 55.803 -0.340 0.000 0.948 226 Q CB 0.114 28.618 28.738 -0.390 0.000 1.043 226 Q HN 0.134 nan 8.270 nan 0.000 0.505 227 Y N 0.051 120.338 120.300 -0.022 0.000 2.598 227 Y HA 0.589 5.139 4.550 -0.000 0.000 0.340 227 Y C 0.047 175.930 175.900 -0.029 0.000 1.038 227 Y CA -1.026 57.067 58.100 -0.010 0.000 1.100 227 Y CB 1.999 40.482 38.460 0.038 0.000 1.281 227 Y HN 0.008 nan 8.280 nan 0.000 0.488 228 E N 0.333 120.629 120.200 0.159 0.000 2.460 228 E HA 0.606 4.956 4.350 -0.000 0.000 0.277 228 E C -1.865 174.774 176.600 0.065 0.000 1.010 228 E CA -0.934 55.505 56.400 0.064 0.000 0.838 228 E CB 2.826 32.520 29.700 -0.010 0.000 1.448 228 E HN 0.406 nan 8.360 nan 0.000 0.462 229 L N 1.928 123.177 121.223 0.043 0.000 2.356 229 L HA 0.451 4.791 4.340 -0.000 0.000 0.277 229 L C -0.697 176.192 176.870 0.031 0.000 0.996 229 L CA -0.720 54.153 54.840 0.056 0.000 0.822 229 L CB 1.386 43.498 42.059 0.088 0.000 1.256 229 L HN 0.352 nan 8.230 nan 0.000 0.413 230 L N 3.085 124.333 121.223 0.042 0.000 2.385 230 L HA 0.240 4.579 4.340 -0.000 0.000 0.281 230 L C -0.135 176.774 176.870 0.065 0.000 1.106 230 L CA -0.231 54.635 54.840 0.043 0.000 0.856 230 L CB 0.628 42.739 42.059 0.088 0.000 1.186 230 L HN 0.727 nan 8.230 nan 0.000 0.453 231 c N 3.238 121.861 118.600 0.038 0.000 2.347 231 c HA 0.199 4.769 4.570 -0.000 0.000 0.366 231 c C 1.977 176.094 174.090 0.046 0.000 1.241 231 c CA -0.856 55.493 56.329 0.032 0.000 2.360 231 c CB 0.966 43.476 42.510 0.001 0.000 2.290 231 c HN 0.803 nan 8.230 nan 0.000 0.587 232 L N 1.975 123.219 121.223 0.036 0.000 2.191 232 L HA -0.130 4.209 4.340 -0.000 0.000 0.212 232 L C 2.302 179.204 176.870 0.052 0.000 1.103 232 L CA 1.250 56.123 54.840 0.054 0.000 0.769 232 L CB -0.380 41.699 42.059 0.035 0.000 0.908 232 L HN 0.829 nan 8.230 nan 0.000 0.438 233 N N -0.665 118.053 118.700 0.029 0.000 2.449 233 N HA -0.153 4.586 4.740 -0.000 0.000 0.191 233 N C -0.140 175.391 175.510 0.034 0.000 1.161 233 N CA 0.350 53.417 53.050 0.028 0.000 0.863 233 N CB -0.441 38.052 38.487 0.010 0.000 0.980 233 N HN 0.319 nan 8.380 nan 0.000 0.458 234 N N -0.118 118.607 118.700 0.041 0.000 2.816 234 N HA -0.155 4.584 4.740 -0.000 0.000 0.247 234 N C -0.385 175.135 175.510 0.016 0.000 1.100 234 N CA 0.955 54.028 53.050 0.038 0.000 0.687 234 N CB -1.550 36.967 38.487 0.049 0.000 1.003 234 N HN 0.692 nan 8.380 nan 0.000 0.554 235 S N -0.400 115.304 115.700 0.006 0.000 2.816 235 S HA 0.787 5.257 4.470 -0.000 0.000 0.253 235 S C 0.232 174.817 174.600 -0.025 0.000 1.055 235 S CA -0.480 57.713 58.200 -0.011 0.000 1.032 235 S CB 2.557 65.751 63.200 -0.010 0.000 1.270 235 S HN 0.378 nan 8.310 nan 0.000 0.587 236 R N -1.273 119.210 120.500 -0.029 0.000 2.690 236 R HA 0.698 5.038 4.340 -0.000 0.000 0.269 236 R C -1.924 174.363 176.300 -0.023 0.000 1.037 236 R CA 0.089 56.166 56.100 -0.038 0.000 0.877 236 R CB 1.947 32.204 30.300 -0.072 0.000 1.255 236 R HN 1.120 nan 8.270 nan 0.000 0.467 237 A N 2.226 125.039 122.820 -0.010 0.000 2.599 237 A HA 0.759 5.079 4.320 -0.000 0.000 0.290 237 A C -2.931 174.663 177.584 0.017 0.000 1.101 237 A CA -1.427 50.610 52.037 0.000 0.000 0.674 237 A CB 1.918 20.921 19.000 0.005 0.000 1.277 237 A HN 0.430 nan 8.150 nan 0.000 0.419 238 P HA 0.279 nan 4.420 nan 0.000 0.276 238 P C 1.241 178.592 177.300 0.084 0.000 1.244 238 P CA 0.172 63.295 63.100 0.037 0.000 0.801 238 P CB 0.929 32.645 31.700 0.026 0.000 1.006 239 V N -1.056 118.915 119.914 0.094 0.000 2.720 239 V HA -0.212 3.908 4.120 -0.000 0.000 0.256 239 V C 0.855 177.203 176.094 0.423 0.000 1.082 239 V CA 2.102 64.502 62.300 0.167 0.000 1.101 239 V CB -1.763 30.050 31.823 -0.017 0.000 0.693 239 V HN 0.383 nan 8.190 nan 0.000 0.479 240 D N 1.573 122.192 120.400 0.364 0.000 2.339 240 D HA 0.403 5.043 4.640 -0.000 0.000 0.217 240 D C 1.280 177.644 176.300 0.107 0.000 1.050 240 D CA 0.849 55.126 54.000 0.463 0.000 0.856 240 D CB 0.038 41.041 40.800 0.339 0.000 0.922 240 D HN 0.614 nan 8.370 nan 0.000 0.518 241 A N 0.435 123.291 122.820 0.061 0.000 2.842 241 A HA 0.291 4.611 4.320 -0.000 0.000 0.298 241 A C 0.864 178.387 177.584 -0.102 0.000 1.293 241 A CA -0.700 51.274 52.037 -0.106 0.000 0.959 241 A CB -1.164 17.812 19.000 -0.040 0.000 1.119 241 A HN 0.327 nan 8.150 nan 0.000 0.564 242 F N -0.693 119.240 119.950 -0.029 0.000 2.234 242 F HA 0.065 4.592 4.527 -0.000 0.000 0.299 242 F C 1.554 177.295 175.800 -0.098 0.000 1.087 242 F CA 1.376 59.341 58.000 -0.058 0.000 1.340 242 F CB -0.234 38.705 39.000 -0.102 0.000 1.031 242 F HN 0.143 nan 8.300 nan 0.000 0.500 243 K N 0.319 120.317 120.400 -0.670 0.000 2.574 243 K HA -0.089 4.231 4.320 -0.000 0.000 0.193 243 K C 1.544 178.128 176.600 -0.026 0.000 1.035 243 K CA 0.957 56.964 56.287 -0.467 0.000 0.982 243 K CB -0.090 32.038 32.500 -0.620 0.000 0.795 243 K HN 0.537 nan 8.250 nan 0.000 0.491 244 E N -1.779 118.380 120.200 -0.069 0.000 2.603 244 E HA 0.033 4.382 4.350 -0.000 0.000 0.224 244 E C -0.711 175.813 176.600 -0.128 0.000 0.896 244 E CA -0.048 56.295 56.400 -0.096 0.000 1.224 244 E CB 0.861 30.504 29.700 -0.095 0.000 1.206 244 E HN 0.156 nan 8.360 nan 0.000 0.576 245 c N 3.334 121.903 118.600 -0.052 0.000 2.975 245 c HA 0.374 4.944 4.570 -0.000 0.000 0.234 245 c C -0.018 174.117 174.090 0.075 0.000 1.666 245 c CA -0.559 55.758 56.329 -0.021 0.000 1.534 245 c CB -1.399 41.123 42.510 0.019 0.000 2.642 245 c HN 0.386 nan 8.230 nan 0.000 0.516 246 H N -0.655 118.477 119.070 0.103 0.000 2.810 246 H HA 0.500 5.055 4.556 -0.000 0.000 0.316 246 H C 0.278 175.713 175.328 0.178 0.000 1.426 246 H CA -0.755 55.400 56.048 0.178 0.000 1.413 246 H CB 0.654 30.582 29.762 0.277 0.000 1.874 246 H HN 0.265 nan 8.280 nan 0.000 0.737 247 L N -0.711 120.743 121.223 0.386 0.000 2.388 247 L HA 0.469 4.809 4.340 -0.000 0.000 0.209 247 L C 0.755 177.807 176.870 0.304 0.000 1.061 247 L CA 0.605 55.603 54.840 0.264 0.000 0.834 247 L CB 0.345 42.550 42.059 0.244 0.000 1.029 247 L HN 0.753 nan 8.230 nan 0.000 0.473 248 A N 0.399 123.475 122.820 0.427 0.000 2.583 248 A HA 0.485 4.804 4.320 -0.000 0.000 0.292 248 A C -1.589 176.103 177.584 0.180 0.000 1.045 248 A CA -0.589 51.635 52.037 0.311 0.000 0.672 248 A CB 0.962 20.065 19.000 0.173 0.000 1.283 248 A HN 0.149 nan 8.150 nan 0.000 0.419 249 Q N 0.678 120.484 119.800 0.010 0.000 2.278 249 Q HA 0.665 5.004 4.340 -0.000 0.000 0.257 249 Q C -0.644 175.217 176.000 -0.232 0.000 0.928 249 Q CA -0.731 54.917 55.803 -0.258 0.000 0.932 249 Q CB 1.404 29.886 28.738 -0.427 0.000 1.221 249 Q HN 1.056 nan 8.270 nan 0.000 0.434 250 V N 0.797 120.482 119.914 -0.381 0.000 2.667 250 V HA 0.659 4.779 4.120 -0.000 0.000 0.308 250 V C -2.374 173.421 176.094 -0.497 0.000 1.048 250 V CA -2.886 59.149 62.300 -0.442 0.000 0.928 250 V CB 1.140 32.617 31.823 -0.575 0.000 1.004 250 V HN 0.795 nan 8.190 nan 0.000 0.444 251 P HA 0.167 nan 4.420 nan 0.000 0.271 251 P C 0.141 177.427 177.300 -0.023 0.000 1.216 251 P CA 0.189 63.115 63.100 -0.289 0.000 0.776 251 P CB 0.949 32.342 31.700 -0.511 0.000 0.881 252 S N 2.611 118.427 115.700 0.193 0.000 2.580 252 S HA 0.047 4.516 4.470 -0.000 0.000 0.266 252 S C 0.198 175.185 174.600 0.645 0.000 1.354 252 S CA -0.241 58.254 58.200 0.491 0.000 1.008 252 S CB -0.361 62.883 63.200 0.073 0.000 0.898 252 S HN 0.447 nan 8.310 nan 0.000 0.555 253 H N 0.655 120.033 119.070 0.513 0.000 2.732 253 H HA 0.487 5.043 4.556 -0.000 0.000 0.351 253 H C 0.422 175.976 175.328 0.377 0.000 1.090 253 H CA 0.037 56.355 56.048 0.450 0.000 1.431 253 H CB 0.781 30.825 29.762 0.471 0.000 1.447 253 H HN 0.855 nan 8.280 nan 0.000 0.582 254 A N 3.220 126.265 122.820 0.376 0.000 2.413 254 A HA 0.478 4.798 4.320 -0.000 0.000 0.307 254 A C -0.608 177.095 177.584 0.198 0.000 1.087 254 A CA -0.708 51.452 52.037 0.204 0.000 0.750 254 A CB 1.314 20.204 19.000 -0.183 0.000 1.296 254 A HN 0.462 nan 8.150 nan 0.000 0.423 255 V N 1.487 121.517 119.914 0.193 0.000 2.546 255 V HA 0.498 4.618 4.120 -0.000 0.000 0.284 255 V C 0.288 176.385 176.094 0.005 0.000 1.050 255 V CA -0.207 62.184 62.300 0.153 0.000 0.981 255 V CB 1.029 32.987 31.823 0.225 0.000 0.990 255 V HN 0.986 nan 8.190 nan 0.000 0.474 256 V N 1.748 121.620 119.914 -0.069 0.000 2.864 256 V HA 1.085 5.204 4.120 -0.000 0.000 0.314 256 V C -0.132 175.882 176.094 -0.134 0.000 1.073 256 V CA -0.412 61.833 62.300 -0.093 0.000 0.956 256 V CB 1.469 33.245 31.823 -0.077 0.000 1.023 256 V HN 1.183 nan 8.190 nan 0.000 0.435 257 A N 3.032 125.792 122.820 -0.100 0.000 2.524 257 A HA 0.840 5.160 4.320 -0.000 0.000 0.289 257 A C -0.361 177.183 177.584 -0.067 0.000 1.248 257 A CA -1.215 50.764 52.037 -0.096 0.000 0.712 257 A CB 1.337 20.291 19.000 -0.076 0.000 1.312 257 A HN 0.892 nan 8.150 nan 0.000 0.441 258 R N -0.023 120.444 120.500 -0.056 0.000 2.539 258 R HA 0.356 4.696 4.340 -0.000 0.000 0.275 258 R C 0.755 177.034 176.300 -0.035 0.000 1.077 258 R CA 0.225 56.302 56.100 -0.038 0.000 1.097 258 R CB 0.759 31.040 30.300 -0.033 0.000 1.018 258 R HN 0.702 nan 8.270 nan 0.000 0.483 259 S N 0.500 116.183 115.700 -0.029 0.000 2.436 259 S HA -0.031 4.439 4.470 -0.000 0.000 0.228 259 S C 0.461 175.044 174.600 -0.028 0.000 1.014 259 S CA 0.409 58.591 58.200 -0.030 0.000 0.950 259 S CB 0.301 63.485 63.200 -0.026 0.000 0.784 259 S HN 0.476 nan 8.310 nan 0.000 0.504 260 V N 0.167 120.066 119.914 -0.025 0.000 2.483 260 V HA 0.526 4.645 4.120 -0.000 0.000 0.297 260 V C -0.655 175.427 176.094 -0.021 0.000 1.027 260 V CA -0.984 61.302 62.300 -0.023 0.000 0.855 260 V CB 1.401 33.211 31.823 -0.021 0.000 0.995 260 V HN 0.132 nan 8.190 nan 0.000 0.424 261 D N 3.053 123.441 120.400 -0.019 0.000 2.981 261 D HA -0.167 4.473 4.640 -0.000 0.000 0.223 261 D C 1.522 177.810 176.300 -0.019 0.000 1.151 261 D CA 1.303 55.293 54.000 -0.017 0.000 0.827 261 D CB -0.868 39.922 40.800 -0.016 0.000 1.101 261 D HN 1.055 nan 8.370 nan 0.000 0.426 262 G N 0.406 109.192 108.800 -0.023 0.000 2.498 262 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 262 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 262 G C 0.934 175.820 174.900 -0.024 0.000 1.119 262 G CA 1.109 46.192 45.100 -0.029 0.000 0.766 262 G HN 0.453 nan 8.290 nan 0.000 0.552 263 K N -0.474 119.921 120.400 -0.009 0.000 3.192 263 K HA -0.195 4.125 4.320 -0.000 0.000 0.278 263 K C 1.364 177.979 176.600 0.026 0.000 1.164 263 K CA 0.891 57.181 56.287 0.005 0.000 0.816 263 K CB -1.424 31.076 32.500 -0.000 0.000 1.256 263 K HN 0.742 nan 8.250 nan 0.000 0.497 264 E N 0.204 120.419 120.200 0.024 0.000 2.265 264 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 264 E C 0.587 177.251 176.600 0.107 0.000 0.996 264 E CA 1.753 58.183 56.400 0.049 0.000 0.832 264 E CB -0.092 29.613 29.700 0.008 0.000 0.756 264 E HN 0.513 nan 8.360 nan 0.000 0.491 265 D N 1.536 121.989 120.400 0.088 0.000 2.137 265 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 265 D C 1.978 178.363 176.300 0.141 0.000 0.970 265 D CA 0.745 54.818 54.000 0.122 0.000 0.837 265 D CB -0.192 40.652 40.800 0.073 0.000 0.981 265 D HN 0.123 nan 8.370 nan 0.000 0.475 266 L N 0.291 121.569 121.223 0.091 0.000 2.093 266 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 266 L C 2.319 179.239 176.870 0.084 0.000 1.085 266 L CA 0.753 55.634 54.840 0.069 0.000 0.755 266 L CB -0.341 41.742 42.059 0.041 0.000 0.904 266 L HN 0.039 nan 8.230 nan 0.000 0.435 267 I N -1.070 119.569 120.570 0.115 0.000 2.226 267 I HA -0.342 3.828 4.170 -0.000 0.000 0.245 267 I C 2.420 178.648 176.117 0.184 0.000 1.100 267 I CA 1.580 62.973 61.300 0.155 0.000 1.374 267 I CB -0.348 37.734 38.000 0.137 0.000 1.057 267 I HN 0.507 nan 8.210 nan 0.000 0.413 268 W N 2.107 123.430 121.300 0.038 0.000 2.418 268 W HA -0.164 4.496 4.660 -0.000 0.000 0.292 268 W C 2.345 178.896 176.519 0.053 0.000 1.213 268 W CA 1.175 58.543 57.345 0.038 0.000 1.283 268 W CB -0.037 29.439 29.460 0.027 0.000 1.119 268 W HN 0.057 nan 8.180 nan 0.000 0.542 269 K N 0.543 120.926 120.400 -0.029 0.000 2.026 269 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 269 K C 2.157 178.679 176.600 -0.129 0.000 1.048 269 K CA 1.824 58.060 56.287 -0.085 0.000 0.929 269 K CB -0.687 31.822 32.500 0.016 0.000 0.713 269 K HN 0.191 nan 8.250 nan 0.000 0.439 270 L N 1.012 122.193 121.223 -0.071 0.000 2.093 270 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 270 L C 1.860 178.710 176.870 -0.033 0.000 1.085 270 L CA 1.437 56.250 54.840 -0.046 0.000 0.755 270 L CB -0.174 41.872 42.059 -0.021 0.000 0.904 270 L HN 0.108 nan 8.230 nan 0.000 0.435 271 L N -0.559 120.585 121.223 -0.130 0.000 2.240 271 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 271 L C 2.574 179.268 176.870 -0.292 0.000 1.106 271 L CA 1.048 55.763 54.840 -0.210 0.000 0.793 271 L CB -0.508 41.306 42.059 -0.408 0.000 0.927 271 L HN 0.497 nan 8.230 nan 0.000 0.446 272 S N -0.376 115.003 115.700 -0.535 0.000 2.377 272 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 272 S C 1.864 176.347 174.600 -0.194 0.000 1.030 272 S CA 0.485 58.394 58.200 -0.485 0.000 0.970 272 S CB -0.180 62.626 63.200 -0.656 0.000 0.830 272 S HN 0.333 nan 8.310 nan 0.000 0.473 273 K N 1.795 122.110 120.400 -0.142 0.000 2.217 273 K HA 0.262 4.582 4.320 -0.000 0.000 0.202 273 K C 2.394 178.956 176.600 -0.063 0.000 1.051 273 K CA 0.876 57.111 56.287 -0.086 0.000 0.952 273 K CB -0.379 32.082 32.500 -0.064 0.000 0.736 273 K HN 0.446 nan 8.250 nan 0.000 0.453 274 A N 1.666 124.519 122.820 0.056 0.000 1.898 274 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 274 A C 2.168 179.796 177.584 0.073 0.000 1.181 274 A CA 1.379 53.552 52.037 0.226 0.000 0.620 274 A CB -0.433 18.886 19.000 0.533 0.000 0.819 274 A HN 0.385 nan 8.150 nan 0.000 0.442 275 Q N -0.656 119.170 119.800 0.044 0.000 2.230 275 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 275 Q C 1.766 177.762 176.000 -0.006 0.000 0.963 275 Q CA 1.464 57.297 55.803 0.052 0.000 0.866 275 Q CB -0.156 28.669 28.738 0.146 0.000 0.931 275 Q HN 0.734 nan 8.270 nan 0.000 0.452 276 E N -0.149 120.015 120.200 -0.060 0.000 2.299 276 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 276 E C 1.107 177.611 176.600 -0.160 0.000 0.998 276 E CA 0.563 56.912 56.400 -0.085 0.000 0.851 276 E CB 0.433 30.085 29.700 -0.080 0.000 0.795 276 E HN 0.131 nan 8.360 nan 0.000 0.492 277 K N -0.798 119.420 120.400 -0.304 0.000 2.262 277 K HA 0.104 4.424 4.320 -0.000 0.000 0.200 277 K C 0.342 176.574 176.600 -0.613 0.000 1.058 277 K CA 0.580 56.522 56.287 -0.576 0.000 0.974 277 K CB 0.355 32.294 32.500 -0.935 0.000 0.910 277 K HN -0.028 nan 8.250 nan 0.000 0.484 278 F N -0.168 119.807 119.950 0.042 0.000 2.879 278 F HA 0.457 4.984 4.527 -0.000 0.000 0.354 278 F C 0.856 176.607 175.800 -0.082 0.000 1.291 278 F CA -1.083 56.925 58.000 0.014 0.000 1.238 278 F CB 0.251 39.307 39.000 0.093 0.000 1.005 278 F HN -0.095 nan 8.300 nan 0.000 0.508 279 G N 0.424 109.258 108.800 0.057 0.000 2.546 279 G HA2 0.192 4.152 3.960 -0.000 0.000 0.239 279 G HA3 0.192 4.152 3.960 -0.000 0.000 0.239 279 G C -0.477 174.508 174.900 0.140 0.000 1.476 279 G CA -0.741 44.424 45.100 0.108 0.000 1.064 279 G HN 0.227 nan 8.290 nan 0.000 0.561 280 K N -0.207 120.291 120.400 0.163 0.000 2.349 280 K HA 0.145 4.465 4.320 -0.000 0.000 0.289 280 K C 0.387 177.000 176.600 0.023 0.000 1.064 280 K CA 0.444 56.772 56.287 0.069 0.000 0.947 280 K CB -0.140 32.336 32.500 -0.039 0.000 1.007 280 K HN 0.544 nan 8.250 nan 0.000 0.478 281 N N 2.369 121.081 118.700 0.019 0.000 2.780 281 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 281 N C -0.400 175.120 175.510 0.018 0.000 1.102 281 N CA 1.308 54.365 53.050 0.011 0.000 0.697 281 N CB -0.626 37.859 38.487 -0.003 0.000 1.028 281 N HN 0.785 nan 8.380 nan 0.000 0.554 282 K N -0.881 119.539 120.400 0.033 0.000 2.365 282 K HA 0.314 4.634 4.320 -0.000 0.000 0.195 282 K C -0.140 176.492 176.600 0.054 0.000 1.079 282 K CA 0.903 57.206 56.287 0.028 0.000 0.979 282 K CB 0.554 33.057 32.500 0.006 0.000 0.929 282 K HN 0.407 nan 8.250 nan 0.000 0.523 283 S N -1.705 114.052 115.700 0.094 0.000 2.607 283 S HA 0.474 4.944 4.470 -0.000 0.000 0.273 283 S C -0.055 174.609 174.600 0.105 0.000 1.148 283 S CA -0.930 57.348 58.200 0.131 0.000 0.833 283 S CB 1.844 65.200 63.200 0.260 0.000 1.130 283 S HN -0.097 nan 8.310 nan 0.000 0.470 284 R N 1.219 121.780 120.500 0.102 0.000 2.112 284 R HA 0.187 4.527 4.340 -0.000 0.000 0.216 284 R C 2.559 178.912 176.300 0.088 0.000 1.080 284 R CA 1.643 57.789 56.100 0.075 0.000 0.996 284 R CB -1.038 29.298 30.300 0.060 0.000 0.902 284 R HN 0.843 nan 8.270 nan 0.000 0.449 285 S N -1.147 114.630 115.700 0.128 0.000 2.362 285 S HA 0.042 4.512 4.470 -0.000 0.000 0.221 285 S C 0.414 175.136 174.600 0.204 0.000 1.032 285 S CA 0.305 58.590 58.200 0.141 0.000 0.973 285 S CB -0.077 63.205 63.200 0.136 0.000 0.849 285 S HN 0.090 nan 8.310 nan 0.000 0.465 286 F N 2.240 122.181 119.950 -0.015 0.000 2.547 286 F HA 0.560 5.087 4.527 -0.000 0.000 0.316 286 F C -1.343 174.419 175.800 -0.063 0.000 1.121 286 F CA -1.190 56.739 58.000 -0.118 0.000 0.911 286 F CB 2.078 40.852 39.000 -0.377 0.000 1.179 286 F HN 0.149 nan 8.300 nan 0.000 0.443 287 Q N 6.352 125.766 119.800 -0.643 0.000 2.357 287 Q HA 0.336 4.676 4.340 -0.000 0.000 0.266 287 Q C 0.175 175.678 176.000 -0.830 0.000 1.021 287 Q CA -0.680 54.830 55.803 -0.489 0.000 0.784 287 Q CB 2.589 31.169 28.738 -0.262 0.000 1.243 287 Q HN 0.745 nan 8.270 nan 0.000 0.465 288 L N 1.628 122.400 121.223 -0.752 0.000 2.093 288 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 288 L C 0.506 176.876 176.870 -0.833 0.000 1.085 288 L CA 1.795 56.052 54.840 -0.972 0.000 0.755 288 L CB 0.142 41.524 42.059 -1.128 0.000 0.904 288 L HN 0.671 nan 8.230 nan 0.000 0.435 289 F N -0.560 119.237 119.950 -0.255 0.000 2.730 289 F HA 0.496 5.023 4.527 -0.000 0.000 0.295 289 F C 0.986 176.701 175.800 -0.141 0.000 1.143 289 F CA -0.335 57.571 58.000 -0.156 0.000 1.367 289 F CB -0.263 38.636 39.000 -0.169 0.000 0.970 289 F HN -0.002 nan 8.300 nan 0.000 0.514 290 G N -0.087 108.655 108.800 -0.096 0.000 2.643 290 G HA2 0.542 4.502 3.960 -0.000 0.000 0.305 290 G HA3 0.542 4.502 3.960 -0.000 0.000 0.305 290 G C -1.032 173.794 174.900 -0.123 0.000 1.387 290 G CA -0.622 44.424 45.100 -0.091 0.000 0.982 290 G HN 0.109 nan 8.290 nan 0.000 0.501 291 S N 2.337 118.005 115.700 -0.053 0.000 2.595 291 S HA 0.826 5.296 4.470 -0.000 0.000 0.281 291 S C -2.919 171.682 174.600 0.000 0.000 1.117 291 S CA -1.401 56.780 58.200 -0.031 0.000 0.873 291 S CB 2.417 65.617 63.200 0.001 0.000 1.108 291 S HN 0.461 nan 8.310 nan 0.000 0.477 292 P HA 0.242 nan 4.420 nan 0.000 0.267 292 P C -2.777 174.550 177.300 0.045 0.000 1.201 292 P CA -0.847 62.273 63.100 0.033 0.000 0.775 292 P CB -1.101 30.628 31.700 0.048 0.000 0.854 293 P HA 0.183 nan 4.420 nan 0.000 0.276 293 P C 0.916 178.254 177.300 0.064 0.000 1.243 293 P CA 0.853 63.984 63.100 0.052 0.000 0.768 293 P CB 0.270 31.997 31.700 0.043 0.000 0.856 294 G N 2.797 111.645 108.800 0.080 0.000 2.213 294 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.236 294 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.236 294 G C -0.178 174.785 174.900 0.104 0.000 0.991 294 G CA -0.156 44.999 45.100 0.092 0.000 0.629 294 G HN 0.640 nan 8.290 nan 0.000 0.517 295 Q N 0.413 120.273 119.800 0.100 0.000 3.412 295 Q HA 0.487 4.827 4.340 -0.000 0.000 0.219 295 Q C -0.118 175.944 176.000 0.103 0.000 0.913 295 Q CA -0.902 54.969 55.803 0.113 0.000 0.722 295 Q CB 1.149 29.952 28.738 0.108 0.000 1.385 295 Q HN 0.451 nan 8.270 nan 0.000 0.461 296 R N 0.789 121.357 120.500 0.114 0.000 2.549 296 R HA 0.319 4.659 4.340 -0.000 0.000 0.267 296 R C -0.433 175.937 176.300 0.117 0.000 1.045 296 R CA -0.661 55.497 56.100 0.096 0.000 1.115 296 R CB 0.359 30.713 30.300 0.090 0.000 1.121 296 R HN 0.476 nan 8.270 nan 0.000 0.543 297 D N 0.950 121.411 120.400 0.102 0.000 2.746 297 D HA -0.158 4.482 4.640 -0.000 0.000 0.241 297 D C -0.593 175.784 176.300 0.128 0.000 1.140 297 D CA 0.792 54.870 54.000 0.130 0.000 0.707 297 D CB -0.846 40.054 40.800 0.166 0.000 1.034 297 D HN 0.357 nan 8.370 nan 0.000 0.423 298 L N 0.780 122.051 121.223 0.079 0.000 2.265 298 L HA 0.339 4.679 4.340 -0.000 0.000 0.288 298 L C 1.986 178.831 176.870 -0.041 0.000 1.058 298 L CA -0.570 54.296 54.840 0.044 0.000 0.809 298 L CB 0.963 43.043 42.059 0.035 0.000 1.179 298 L HN 0.299 nan 8.230 nan 0.000 0.429 299 L N 1.445 122.613 121.223 -0.092 0.000 2.848 299 L HA -0.352 3.988 4.340 -0.000 0.000 0.400 299 L C -0.217 176.327 176.870 -0.543 0.000 2.308 299 L CA 1.480 56.082 54.840 -0.397 0.000 2.916 299 L CB -1.209 40.386 42.059 -0.774 0.000 1.824 299 L HN 0.391 nan 8.230 nan 0.000 0.807 300 F N -0.746 119.303 119.950 0.166 0.000 2.679 300 F HA 0.597 5.124 4.527 -0.000 0.000 0.341 300 F C 0.572 176.532 175.800 0.266 0.000 1.095 300 F CA -0.895 57.289 58.000 0.307 0.000 1.004 300 F CB 0.576 39.796 39.000 0.366 0.000 1.388 300 F HN -0.226 nan 8.300 nan 0.000 0.505 301 K N 0.922 121.622 120.400 0.501 0.000 2.237 301 K HA 0.134 4.454 4.320 -0.000 0.000 0.270 301 K C -1.103 175.615 176.600 0.198 0.000 1.015 301 K CA -0.319 56.112 56.287 0.240 0.000 0.949 301 K CB 0.607 33.169 32.500 0.103 0.000 0.976 301 K HN 0.523 nan 8.250 nan 0.000 0.472 302 D N 0.935 121.373 120.400 0.062 0.000 2.304 302 D HA 0.053 4.693 4.640 -0.000 0.000 0.250 302 D C -0.044 176.217 176.300 -0.065 0.000 1.107 302 D CA 0.362 54.383 54.000 0.035 0.000 0.885 302 D CB 0.842 41.641 40.800 -0.002 0.000 1.192 302 D HN 0.504 nan 8.370 nan 0.000 0.436 303 S N -0.537 115.137 115.700 -0.043 0.000 3.698 303 S HA -0.140 4.330 4.470 -0.000 0.000 0.338 303 S C 0.067 174.517 174.600 -0.250 0.000 1.089 303 S CA 0.496 58.615 58.200 -0.134 0.000 0.991 303 S CB -1.248 61.868 63.200 -0.140 0.000 0.909 303 S HN 0.725 nan 8.310 nan 0.000 0.485 304 A N -0.067 122.506 122.820 -0.412 0.000 2.327 304 A HA 0.744 5.064 4.320 -0.000 0.000 0.283 304 A C 1.047 178.005 177.584 -1.044 0.000 1.127 304 A CA -0.542 51.134 52.037 -0.601 0.000 0.810 304 A CB 0.438 19.031 19.000 -0.679 0.000 1.066 304 A HN 0.366 nan 8.150 nan 0.000 0.492 305 L N 1.796 122.605 121.223 -0.690 0.000 2.162 305 L HA 0.328 4.668 4.340 -0.000 0.000 0.205 305 L C 1.406 177.880 176.870 -0.660 0.000 1.086 305 L CA 1.420 55.929 54.840 -0.551 0.000 0.778 305 L CB -0.309 41.573 42.059 -0.294 0.000 0.928 305 L HN 0.951 nan 8.230 nan 0.000 0.446 306 G N -1.879 106.438 108.800 -0.806 0.000 2.336 306 G HA2 0.279 4.238 3.960 -0.000 0.000 0.286 306 G HA3 0.279 4.238 3.960 -0.000 0.000 0.286 306 G C -1.874 172.601 174.900 -0.709 0.000 1.269 306 G CA -0.837 43.835 45.100 -0.715 0.000 0.873 306 G HN -0.215 nan 8.290 nan 0.000 0.494 307 F N -0.012 119.990 119.950 0.087 0.000 2.458 307 F HA 0.694 5.220 4.527 -0.000 0.000 0.336 307 F C -0.034 175.983 175.800 0.362 0.000 1.114 307 F CA -0.916 57.212 58.000 0.212 0.000 0.987 307 F CB 2.058 41.211 39.000 0.255 0.000 1.130 307 F HN 0.335 nan 8.300 nan 0.000 0.458 308 L N 4.646 126.161 121.223 0.486 0.000 2.265 308 L HA 0.444 4.783 4.340 -0.000 0.000 0.289 308 L C 0.133 177.180 176.870 0.295 0.000 1.033 308 L CA -0.617 54.451 54.840 0.379 0.000 0.814 308 L CB 0.777 43.012 42.059 0.294 0.000 1.203 308 L HN 0.615 nan 8.230 nan 0.000 0.423 309 R N 5.132 125.600 120.500 -0.053 0.000 2.442 309 R HA 0.351 4.691 4.340 -0.000 0.000 0.291 309 R C -0.768 175.321 176.300 -0.351 0.000 1.069 309 R CA -0.231 55.531 56.100 -0.563 0.000 1.022 309 R CB 0.285 29.694 30.300 -1.484 0.000 0.976 309 R HN 0.704 nan 8.270 nan 0.000 0.443 310 I N 7.259 127.602 120.570 -0.379 0.000 2.353 310 I HA 0.261 4.431 4.170 -0.000 0.000 0.293 310 I C -1.834 173.971 176.117 -0.519 0.000 0.992 310 I CA -2.546 58.395 61.300 -0.597 0.000 1.268 310 I CB 1.617 39.357 38.000 -0.433 0.000 1.387 310 I HN 0.470 nan 8.210 nan 0.000 0.478 311 P HA -0.003 nan 4.420 nan 0.000 0.266 311 P C 0.691 177.837 177.300 -0.256 0.000 1.195 311 P CA -0.005 62.878 63.100 -0.362 0.000 0.768 311 P CB 0.592 32.085 31.700 -0.344 0.000 0.838 312 S N 2.465 118.061 115.700 -0.174 0.000 2.400 312 S HA -0.180 4.290 4.470 -0.000 0.000 0.232 312 S C 1.534 176.078 174.600 -0.093 0.000 1.025 312 S CA 1.021 59.148 58.200 -0.122 0.000 0.993 312 S CB -0.498 62.647 63.200 -0.092 0.000 0.808 312 S HN 0.332 nan 8.310 nan 0.000 0.478 313 K N 1.209 121.558 120.400 -0.085 0.000 2.418 313 K HA 0.274 4.594 4.320 -0.000 0.000 0.195 313 K C -0.104 176.470 176.600 -0.043 0.000 1.035 313 K CA 0.017 56.271 56.287 -0.055 0.000 1.003 313 K CB -0.124 32.352 32.500 -0.040 0.000 0.793 313 K HN 0.328 nan 8.250 nan 0.000 0.494 314 V N 4.107 123.981 119.914 -0.067 0.000 2.427 314 V HA -0.014 4.105 4.120 -0.000 0.000 0.268 314 V C 0.203 176.295 176.094 -0.004 0.000 1.046 314 V CA -0.672 61.617 62.300 -0.019 0.000 0.970 314 V CB 0.751 32.542 31.823 -0.052 0.000 1.001 314 V HN 0.249 nan 8.190 nan 0.000 0.476 315 D N 3.501 123.925 120.400 0.040 0.000 2.539 315 D HA 0.239 4.879 4.640 -0.000 0.000 0.276 315 D C 1.389 177.758 176.300 0.115 0.000 1.206 315 D CA -0.075 53.951 54.000 0.044 0.000 1.081 315 D CB 0.550 41.367 40.800 0.028 0.000 1.142 315 D HN 0.374 nan 8.370 nan 0.000 0.595 316 S N -1.074 114.691 115.700 0.108 0.000 2.399 316 S HA -0.130 4.339 4.470 -0.000 0.000 0.231 316 S C 1.956 176.709 174.600 0.254 0.000 1.022 316 S CA 0.927 59.237 58.200 0.183 0.000 0.983 316 S CB -0.905 62.369 63.200 0.124 0.000 0.803 316 S HN 0.645 nan 8.310 nan 0.000 0.480 317 A N 1.856 124.794 122.820 0.197 0.000 1.897 317 A HA 0.291 4.611 4.320 -0.000 0.000 0.215 317 A C 2.291 179.981 177.584 0.176 0.000 1.181 317 A CA 0.935 53.100 52.037 0.213 0.000 0.620 317 A CB -0.725 18.374 19.000 0.165 0.000 0.821 317 A HN 0.492 nan 8.150 nan 0.000 0.443 318 L N -1.890 119.423 121.223 0.150 0.000 2.093 318 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 318 L C 2.599 179.574 176.870 0.175 0.000 1.085 318 L CA 1.730 56.650 54.840 0.133 0.000 0.755 318 L CB -0.552 41.573 42.059 0.109 0.000 0.904 318 L HN 0.623 nan 8.230 nan 0.000 0.435 319 Y N 0.585 120.950 120.300 0.109 0.000 2.200 319 Y HA -0.219 4.330 4.550 -0.000 0.000 0.290 319 Y C 2.304 178.263 175.900 0.098 0.000 1.137 319 Y CA 1.475 59.656 58.100 0.135 0.000 1.163 319 Y CB -0.147 38.389 38.460 0.128 0.000 0.988 319 Y HN -0.000 nan 8.280 nan 0.000 0.518 320 L N -0.290 120.966 121.223 0.056 0.000 2.109 320 L HA 0.100 4.440 4.340 -0.000 0.000 0.207 320 L C 1.163 178.022 176.870 -0.019 0.000 1.086 320 L CA 0.726 55.541 54.840 -0.041 0.000 0.760 320 L CB -1.053 41.145 42.059 0.231 0.000 0.910 320 L HN 0.464 nan 8.230 nan 0.000 0.437 321 G N -0.609 108.221 108.800 0.050 0.000 2.722 321 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.686 321 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.686 321 G C 0.695 175.644 174.900 0.082 0.000 1.282 321 G CA -0.036 45.087 45.100 0.039 0.000 0.817 321 G HN 0.289 nan 8.290 nan 0.000 0.605 322 S N 0.963 116.696 115.700 0.054 0.000 2.400 322 S HA -0.209 4.261 4.470 -0.000 0.000 0.232 322 S C 2.170 176.797 174.600 0.045 0.000 1.025 322 S CA 1.890 60.118 58.200 0.047 0.000 0.993 322 S CB -0.126 63.093 63.200 0.031 0.000 0.808 322 S HN 1.033 nan 8.310 nan 0.000 0.478 323 R N -0.209 120.320 120.500 0.048 0.000 2.066 323 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 323 R C 2.290 178.629 176.300 0.064 0.000 1.131 323 R CA 1.514 57.643 56.100 0.047 0.000 0.955 323 R CB -0.654 29.665 30.300 0.033 0.000 0.851 323 R HN 0.574 nan 8.270 nan 0.000 0.432 324 Y N 0.408 120.683 120.300 -0.041 0.000 2.314 324 Y HA -0.024 4.526 4.550 -0.000 0.000 0.293 324 Y C 1.637 177.500 175.900 -0.062 0.000 1.129 324 Y CA 1.255 59.326 58.100 -0.049 0.000 1.201 324 Y CB 0.047 38.475 38.460 -0.053 0.000 0.999 324 Y HN 0.041 nan 8.280 nan 0.000 0.541 325 L N -0.897 120.349 121.223 0.038 0.000 2.141 325 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 325 L C 2.247 179.043 176.870 -0.124 0.000 1.094 325 L CA 1.629 56.437 54.840 -0.052 0.000 0.763 325 L CB -0.659 41.438 42.059 0.063 0.000 0.908 325 L HN 0.218 nan 8.230 nan 0.000 0.437 326 T N -1.119 113.389 114.554 -0.076 0.000 2.701 326 T HA -0.178 4.171 4.350 -0.000 0.000 0.263 326 T C 1.956 176.587 174.700 -0.116 0.000 1.040 326 T CA 2.011 64.068 62.100 -0.072 0.000 1.147 326 T CB -0.356 68.513 68.868 0.003 0.000 0.865 326 T HN 0.550 nan 8.240 nan 0.000 0.426 327 T N 1.214 115.684 114.554 -0.139 0.000 2.759 327 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 327 T C 1.994 176.546 174.700 -0.246 0.000 1.042 327 T CA 1.101 63.100 62.100 -0.168 0.000 1.140 327 T CB -0.696 68.072 68.868 -0.166 0.000 0.864 327 T HN 0.259 nan 8.240 nan 0.000 0.455 328 L N 0.256 121.244 121.223 -0.391 0.000 2.044 328 L HA 0.068 4.408 4.340 -0.000 0.000 0.205 328 L C 2.813 179.496 176.870 -0.310 0.000 1.075 328 L CA 1.504 56.077 54.840 -0.445 0.000 0.747 328 L CB -0.237 41.387 42.059 -0.725 0.000 0.903 328 L HN 0.138 nan 8.230 nan 0.000 0.435 329 K N -0.421 119.814 120.400 -0.276 0.000 2.217 329 K HA -0.085 4.235 4.320 -0.000 0.000 0.202 329 K C 1.710 178.249 176.600 -0.101 0.000 1.051 329 K CA 1.379 57.570 56.287 -0.159 0.000 0.952 329 K CB -0.212 32.220 32.500 -0.113 0.000 0.736 329 K HN 0.509 nan 8.250 nan 0.000 0.453 330 N N 0.717 119.352 118.700 -0.107 0.000 2.396 330 N HA -0.051 4.689 4.740 -0.000 0.000 0.180 330 N C 1.564 177.060 175.510 -0.024 0.000 1.028 330 N CA 0.343 53.349 53.050 -0.074 0.000 0.893 330 N CB 0.105 38.557 38.487 -0.057 0.000 0.967 330 N HN 0.097 nan 8.380 nan 0.000 0.440 331 L N 0.377 121.592 121.223 -0.014 0.000 2.313 331 L HA -0.005 4.334 4.340 -0.000 0.000 0.214 331 L C 2.157 179.126 176.870 0.166 0.000 1.119 331 L CA 0.624 55.514 54.840 0.083 0.000 0.809 331 L CB -0.060 42.003 42.059 0.007 0.000 0.933 331 L HN 0.101 nan 8.230 nan 0.000 0.449 332 R N -0.424 120.120 120.500 0.073 0.000 2.200 332 R HA 0.038 4.377 4.340 -0.000 0.000 0.208 332 R C 0.373 176.709 176.300 0.060 0.000 1.033 332 R CA 0.384 56.538 56.100 0.090 0.000 1.000 332 R CB 0.282 30.614 30.300 0.054 0.000 0.906 332 R HN 0.425 nan 8.270 nan 0.000 0.462 333 E N -0.285 119.917 120.200 0.003 0.000 2.284 333 E HA 0.149 4.499 4.350 -0.000 0.000 0.255 333 E C -0.118 176.404 176.600 -0.131 0.000 1.052 333 E CA -0.507 55.859 56.400 -0.057 0.000 0.904 333 E CB 1.322 30.975 29.700 -0.079 0.000 1.217 333 E HN -0.016 nan 8.360 nan 0.000 0.438 334 T N -2.792 111.657 114.554 -0.175 0.000 2.849 334 T HA 0.445 4.795 4.350 -0.000 0.000 0.276 334 T C 1.050 175.627 174.700 -0.205 0.000 0.971 334 T CA -0.121 61.816 62.100 -0.273 0.000 0.949 334 T CB 1.283 70.001 68.868 -0.249 0.000 1.093 334 T HN 0.459 nan 8.240 nan 0.000 0.545 335 A N 0.258 122.945 122.820 -0.222 0.000 1.930 335 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 335 A C 2.275 179.798 177.584 -0.101 0.000 1.175 335 A CA 1.087 53.037 52.037 -0.145 0.000 0.627 335 A CB -0.818 18.093 19.000 -0.149 0.000 0.815 335 A HN 0.858 nan 8.150 nan 0.000 0.443 336 E N 0.063 120.196 120.200 -0.111 0.000 2.208 336 E HA -0.120 4.229 4.350 -0.000 0.000 0.193 336 E C 1.783 178.336 176.600 -0.080 0.000 0.988 336 E CA 0.968 57.318 56.400 -0.083 0.000 0.828 336 E CB -0.286 29.364 29.700 -0.083 0.000 0.763 336 E HN 0.769 nan 8.360 nan 0.000 0.478 337 E N 0.448 120.589 120.200 -0.098 0.000 2.107 337 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 337 E C 2.182 178.711 176.600 -0.119 0.000 0.982 337 E CA 0.594 56.935 56.400 -0.099 0.000 0.809 337 E CB 0.182 29.821 29.700 -0.101 0.000 0.756 337 E HN -0.006 nan 8.360 nan 0.000 0.459 338 V N 1.769 121.610 119.914 -0.121 0.000 2.358 338 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 338 V C 2.402 178.441 176.094 -0.092 0.000 1.047 338 V CA 1.737 63.945 62.300 -0.154 0.000 1.035 338 V CB -0.350 31.425 31.823 -0.080 0.000 0.658 338 V HN 0.202 nan 8.190 nan 0.000 0.452 339 K N 0.333 120.730 120.400 -0.005 0.000 2.032 339 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 339 K C 2.134 178.747 176.600 0.022 0.000 1.048 339 K CA 1.790 58.106 56.287 0.049 0.000 0.927 339 K CB -0.335 32.166 32.500 0.001 0.000 0.712 339 K HN 0.420 nan 8.250 nan 0.000 0.441 340 A N 1.208 124.010 122.820 -0.031 0.000 1.969 340 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 340 A C 2.072 179.625 177.584 -0.051 0.000 1.169 340 A CA 1.497 53.512 52.037 -0.036 0.000 0.635 340 A CB -0.470 18.500 19.000 -0.049 0.000 0.810 340 A HN 0.321 nan 8.150 nan 0.000 0.445 341 R N -1.109 119.320 120.500 -0.119 0.000 2.092 341 R HA -0.103 4.236 4.340 -0.000 0.000 0.231 341 R C 1.554 177.757 176.300 -0.161 0.000 1.119 341 R CA 1.694 57.686 56.100 -0.181 0.000 0.970 341 R CB -0.905 29.218 30.300 -0.296 0.000 0.864 341 R HN 0.550 nan 8.270 nan 0.000 0.440 342 Y N -0.244 120.015 120.300 -0.067 0.000 2.373 342 Y HA -0.006 4.544 4.550 -0.000 0.000 0.293 342 Y C 2.231 178.024 175.900 -0.178 0.000 1.129 342 Y CA 1.702 59.733 58.100 -0.115 0.000 1.226 342 Y CB -0.374 38.000 38.460 -0.143 0.000 1.000 342 Y HN 0.090 nan 8.280 nan 0.000 0.549 343 T N 0.364 114.948 114.554 0.049 0.000 2.896 343 T HA -0.078 4.272 4.350 -0.000 0.000 0.263 343 T C 0.970 175.819 174.700 0.248 0.000 1.050 343 T CA 0.377 62.518 62.100 0.068 0.000 1.140 343 T CB -0.294 68.602 68.868 0.047 0.000 0.877 343 T HN 0.253 nan 8.240 nan 0.000 0.457 344 R N 1.352 121.925 120.500 0.121 0.000 2.582 344 R HA 0.461 4.801 4.340 -0.000 0.000 0.271 344 R C -1.272 175.098 176.300 0.116 0.000 1.078 344 R CA -0.431 55.717 56.100 0.079 0.000 1.127 344 R CB 0.560 30.858 30.300 -0.002 0.000 1.038 344 R HN -0.030 nan 8.270 nan 0.000 0.500 345 V N 3.662 123.606 119.914 0.051 0.000 2.417 345 V HA 0.249 4.369 4.120 -0.000 0.000 0.291 345 V C -0.392 175.718 176.094 0.027 0.000 1.024 345 V CA -0.834 61.504 62.300 0.063 0.000 0.861 345 V CB 1.768 33.617 31.823 0.044 0.000 0.985 345 V HN 0.602 nan 8.190 nan 0.000 0.436 346 V N 4.810 124.750 119.914 0.043 0.000 2.333 346 V HA 0.296 4.416 4.120 -0.000 0.000 0.274 346 V C -0.176 175.960 176.094 0.070 0.000 1.028 346 V CA -0.575 61.742 62.300 0.029 0.000 0.851 346 V CB 1.257 33.077 31.823 -0.004 0.000 1.000 346 V HN 0.865 nan 8.190 nan 0.000 0.456 347 W N 5.165 126.410 121.300 -0.091 0.000 2.316 347 W HA 0.371 5.031 4.660 -0.000 0.000 0.321 347 W C -0.252 176.261 176.519 -0.010 0.000 1.203 347 W CA -0.576 56.751 57.345 -0.029 0.000 1.214 347 W CB 1.664 31.106 29.460 -0.030 0.000 1.169 347 W HN 0.565 nan 8.180 nan 0.000 0.561 348 c N 5.821 124.190 118.600 -0.384 0.000 2.307 348 c HA 0.709 5.279 4.570 -0.000 0.000 0.340 348 c C 0.331 174.410 174.090 -0.019 0.000 1.275 348 c CA -0.274 55.952 56.329 -0.172 0.000 1.811 348 c CB -0.718 41.655 42.510 -0.228 0.000 2.372 348 c HN 0.583 nan 8.230 nan 0.000 0.531 349 A N 5.433 128.306 122.820 0.088 0.000 2.292 349 A HA 0.664 4.984 4.320 -0.000 0.000 0.319 349 A C -0.577 177.028 177.584 0.035 0.000 1.206 349 A CA -0.327 51.787 52.037 0.129 0.000 0.835 349 A CB 0.752 19.845 19.000 0.154 0.000 1.164 349 A HN 0.794 nan 8.150 nan 0.000 0.505 350 V N 2.828 122.756 119.914 0.024 0.000 2.348 350 V HA 0.634 4.754 4.120 -0.000 0.000 0.270 350 V C 0.916 176.992 176.094 -0.029 0.000 1.037 350 V CA 0.851 63.131 62.300 -0.033 0.000 0.872 350 V CB -0.223 31.562 31.823 -0.064 0.000 1.002 350 V HN 1.945 nan 8.190 nan 0.000 0.464 351 G N 7.200 115.974 108.800 -0.044 0.000 2.746 351 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.685 351 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.685 351 G C -1.658 173.240 174.900 -0.003 0.000 1.350 351 G CA -0.248 44.829 45.100 -0.039 0.000 0.837 351 G HN 0.517 nan 8.290 nan 0.000 0.564 352 P HA -0.118 nan 4.420 nan 0.000 0.214 352 P C 1.416 178.735 177.300 0.031 0.000 1.163 352 P CA 2.183 65.290 63.100 0.011 0.000 0.883 352 P CB -0.067 31.635 31.700 0.003 0.000 0.788 353 E N 0.138 120.362 120.200 0.040 0.000 2.110 353 E HA -0.173 4.176 4.350 -0.000 0.000 0.193 353 E C 2.183 178.829 176.600 0.077 0.000 0.988 353 E CA 0.810 57.246 56.400 0.060 0.000 0.804 353 E CB -0.387 29.355 29.700 0.069 0.000 0.745 353 E HN 0.442 nan 8.360 nan 0.000 0.458 354 E N 0.831 121.079 120.200 0.080 0.000 2.106 354 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 354 E C 2.198 178.867 176.600 0.115 0.000 0.984 354 E CA 0.887 57.349 56.400 0.104 0.000 0.806 354 E CB 0.052 29.816 29.700 0.107 0.000 0.750 354 E HN 0.183 nan 8.360 nan 0.000 0.458 355 Q N 1.250 121.101 119.800 0.085 0.000 2.119 355 Q HA -0.162 4.178 4.340 -0.000 0.000 0.201 355 Q C 1.775 177.816 176.000 0.069 0.000 0.972 355 Q CA 1.502 57.350 55.803 0.076 0.000 0.847 355 Q CB 0.154 28.919 28.738 0.045 0.000 0.903 355 Q HN 0.017 nan 8.270 nan 0.000 0.433 356 K N 0.285 120.724 120.400 0.065 0.000 2.097 356 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 356 K C 2.078 178.727 176.600 0.082 0.000 1.050 356 K CA 1.261 57.584 56.287 0.059 0.000 0.938 356 K CB -0.093 32.441 32.500 0.056 0.000 0.718 356 K HN 0.196 nan 8.250 nan 0.000 0.442 357 K N 0.908 121.378 120.400 0.116 0.000 2.103 357 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 357 K C 2.274 178.991 176.600 0.195 0.000 1.052 357 K CA 0.946 57.337 56.287 0.173 0.000 0.945 357 K CB -0.126 32.474 32.500 0.167 0.000 0.722 357 K HN 0.138 nan 8.250 nan 0.000 0.443 358 c N 1.393 120.100 118.600 0.179 0.000 2.440 358 c HA -0.021 4.549 4.570 -0.000 0.000 0.278 358 c C 2.509 176.641 174.090 0.069 0.000 1.295 358 c CA 0.868 57.321 56.329 0.207 0.000 1.738 358 c CB -0.606 42.034 42.510 0.216 0.000 1.987 358 c HN 0.517 nan 8.230 nan 0.000 0.492 359 Q N -0.379 119.435 119.800 0.023 0.000 2.167 359 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 359 Q C 2.289 178.226 176.000 -0.104 0.000 0.970 359 Q CA 1.500 57.280 55.803 -0.040 0.000 0.855 359 Q CB -0.145 28.582 28.738 -0.019 0.000 0.911 359 Q HN 0.745 nan 8.270 nan 0.000 0.438 360 Q N -0.760 118.970 119.800 -0.116 0.000 2.123 360 Q HA -0.173 4.167 4.340 -0.000 0.000 0.199 360 Q C 1.646 177.254 176.000 -0.654 0.000 0.966 360 Q CA 0.999 56.638 55.803 -0.274 0.000 0.845 360 Q CB -0.135 28.513 28.738 -0.150 0.000 0.907 360 Q HN 0.436 nan 8.270 nan 0.000 0.439 361 W N 0.835 121.596 121.300 -0.898 0.000 2.379 361 W HA -0.125 4.535 4.660 -0.000 0.000 0.307 361 W C 2.464 178.607 176.519 -0.626 0.000 1.200 361 W CA 1.452 58.169 57.345 -1.046 0.000 1.297 361 W CB -0.849 28.302 29.460 -0.514 0.000 1.140 361 W HN 0.002 nan 8.180 nan 0.000 0.507 362 S N -0.067 115.430 115.700 -0.339 0.000 2.359 362 S HA -0.305 4.165 4.470 -0.000 0.000 0.224 362 S C 1.892 176.349 174.600 -0.238 0.000 1.035 362 S CA 2.092 60.095 58.200 -0.330 0.000 1.018 362 S CB -0.451 62.617 63.200 -0.220 0.000 0.876 362 S HN 0.380 nan 8.310 nan 0.000 0.448 363 Q N 0.137 119.811 119.800 -0.211 0.000 2.119 363 Q HA 0.019 4.359 4.340 -0.000 0.000 0.201 363 Q C 2.245 178.162 176.000 -0.138 0.000 0.972 363 Q CA 1.346 57.059 55.803 -0.149 0.000 0.847 363 Q CB -0.180 28.483 28.738 -0.125 0.000 0.903 363 Q HN 0.359 nan 8.270 nan 0.000 0.433 364 Q N -0.820 118.834 119.800 -0.243 0.000 2.230 364 Q HA -0.021 4.319 4.340 -0.000 0.000 0.202 364 Q C 1.887 177.882 176.000 -0.008 0.000 0.963 364 Q CA 1.394 57.086 55.803 -0.185 0.000 0.866 364 Q CB -0.033 28.398 28.738 -0.512 0.000 0.931 364 Q HN 0.499 nan 8.270 nan 0.000 0.452 365 S N -1.569 114.063 115.700 -0.113 0.000 2.558 365 S HA 0.190 4.660 4.470 -0.000 0.000 0.217 365 S C 1.267 175.881 174.600 0.024 0.000 0.975 365 S CA 0.502 58.729 58.200 0.045 0.000 0.912 365 S CB 0.092 63.211 63.200 -0.135 0.000 0.776 365 S HN 0.390 nan 8.310 nan 0.000 0.526 366 G N 1.570 110.359 108.800 -0.018 0.000 2.198 366 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 366 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 366 G C 0.204 175.076 174.900 -0.048 0.000 1.042 366 G CA 0.054 45.144 45.100 -0.016 0.000 0.791 366 G HN 0.680 nan 8.290 nan 0.000 0.502 367 Q N -2.736 117.010 119.800 -0.091 0.000 2.503 367 Q HA -0.219 4.121 4.340 -0.000 0.000 0.267 367 Q C 1.254 177.189 176.000 -0.108 0.000 1.030 367 Q CA 0.998 56.737 55.803 -0.106 0.000 1.041 367 Q CB -1.399 27.293 28.738 -0.077 0.000 1.406 367 Q HN 0.557 nan 8.270 nan 0.000 0.524 368 N N -0.486 118.140 118.700 -0.124 0.000 2.354 368 N HA 0.043 4.783 4.740 -0.000 0.000 0.179 368 N C 0.128 175.531 175.510 -0.178 0.000 1.021 368 N CA 0.835 53.815 53.050 -0.118 0.000 0.887 368 N CB 0.636 39.065 38.487 -0.097 0.000 0.974 368 N HN 0.113 nan 8.380 nan 0.000 0.437 369 V N 0.187 119.913 119.914 -0.314 0.000 2.555 369 V HA 0.419 4.539 4.120 -0.000 0.000 0.302 369 V C 0.053 175.942 176.094 -0.342 0.000 1.038 369 V CA -0.545 61.482 62.300 -0.456 0.000 0.887 369 V CB 1.957 33.129 31.823 -1.085 0.000 0.991 369 V HN -0.057 nan 8.190 nan 0.000 0.434 370 T N 3.188 117.616 114.554 -0.209 0.000 2.908 370 T HA 0.524 4.873 4.350 -0.000 0.000 0.290 370 T C -0.590 174.074 174.700 -0.059 0.000 1.034 370 T CA -0.244 61.782 62.100 -0.124 0.000 1.010 370 T CB 1.366 70.186 68.868 -0.079 0.000 1.068 370 T HN 0.767 nan 8.240 nan 0.000 0.481 371 c N 2.015 120.598 118.600 -0.028 0.000 2.470 371 c HA 1.008 5.578 4.570 -0.000 0.000 0.341 371 c C 0.287 174.391 174.090 0.022 0.000 1.190 371 c CA -0.716 55.635 56.329 0.036 0.000 1.904 371 c CB 0.643 43.181 42.510 0.046 0.000 2.354 371 c HN 1.019 nan 8.230 nan 0.000 0.509 372 A N 1.138 123.980 122.820 0.037 0.000 2.515 372 A HA 0.918 5.238 4.320 -0.000 0.000 0.298 372 A C -0.658 176.933 177.584 0.011 0.000 1.059 372 A CA -0.337 51.704 52.037 0.006 0.000 0.698 372 A CB 1.328 20.318 19.000 -0.017 0.000 1.289 372 A HN 0.872 nan 8.150 nan 0.000 0.404 373 T N 0.110 114.661 114.554 -0.004 0.000 2.893 373 T HA 0.838 5.187 4.350 -0.000 0.000 0.293 373 T C -0.271 174.412 174.700 -0.029 0.000 1.027 373 T CA -0.027 62.069 62.100 -0.007 0.000 0.988 373 T CB 1.771 70.639 68.868 -0.001 0.000 1.043 373 T HN 1.811 nan 8.240 nan 0.000 0.461 374 A N 0.973 123.767 122.820 -0.043 0.000 2.479 374 A HA 0.802 5.122 4.320 -0.000 0.000 0.296 374 A C 1.072 178.616 177.584 -0.068 0.000 1.121 374 A CA -0.287 51.714 52.037 -0.059 0.000 0.743 374 A CB 1.497 20.451 19.000 -0.076 0.000 1.323 374 A HN 0.997 nan 8.150 nan 0.000 0.415 375 S N -0.341 115.314 115.700 -0.075 0.000 2.496 375 S HA 0.146 4.616 4.470 -0.000 0.000 0.224 375 S C 0.811 175.337 174.600 -0.123 0.000 0.996 375 S CA 1.429 59.576 58.200 -0.089 0.000 0.927 375 S CB -0.464 62.690 63.200 -0.077 0.000 0.774 375 S HN 1.822 nan 8.310 nan 0.000 0.524 376 T N -3.357 111.122 114.554 -0.125 0.000 2.887 376 T HA 0.497 4.847 4.350 -0.000 0.000 0.292 376 T C 0.668 175.258 174.700 -0.184 0.000 1.087 376 T CA -0.202 61.805 62.100 -0.156 0.000 1.009 376 T CB 1.155 69.944 68.868 -0.132 0.000 1.203 376 T HN -0.100 nan 8.240 nan 0.000 0.518 377 T N 0.699 115.092 114.554 -0.268 0.000 2.904 377 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 377 T C 1.297 175.799 174.700 -0.331 0.000 1.059 377 T CA 1.248 63.117 62.100 -0.386 0.000 1.137 377 T CB -0.482 67.909 68.868 -0.794 0.000 0.879 377 T HN 0.649 nan 8.240 nan 0.000 0.467 378 D N 1.313 121.555 120.400 -0.264 0.000 2.144 378 D HA -0.079 4.561 4.640 -0.000 0.000 0.199 378 D C 1.892 178.119 176.300 -0.122 0.000 0.984 378 D CA 0.883 54.786 54.000 -0.161 0.000 0.834 378 D CB -0.298 40.443 40.800 -0.098 0.000 0.955 378 D HN 0.269 nan 8.370 nan 0.000 0.465 379 D N -0.531 119.799 120.400 -0.117 0.000 2.178 379 D HA -0.087 4.553 4.640 -0.000 0.000 0.202 379 D C 2.041 178.283 176.300 -0.096 0.000 0.974 379 D CA 0.423 54.368 54.000 -0.092 0.000 0.841 379 D CB -0.368 40.382 40.800 -0.083 0.000 0.953 379 D HN 0.199 nan 8.370 nan 0.000 0.478 380 c N 0.181 118.706 118.600 -0.124 0.000 2.435 380 c HA 0.029 4.598 4.570 -0.000 0.000 0.279 380 c C 2.779 176.788 174.090 -0.135 0.000 1.321 380 c CA -0.104 56.145 56.329 -0.133 0.000 1.752 380 c CB -0.846 41.567 42.510 -0.162 0.000 1.959 380 c HN 0.316 nan 8.230 nan 0.000 0.500 381 I N -0.170 120.319 120.570 -0.135 0.000 2.252 381 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 381 I C 2.382 178.448 176.117 -0.085 0.000 1.102 381 I CA 1.261 62.492 61.300 -0.116 0.000 1.385 381 I CB -0.288 37.644 38.000 -0.113 0.000 1.064 381 I HN 0.097 nan 8.210 nan 0.000 0.414 382 V N 0.936 120.807 119.914 -0.073 0.000 2.407 382 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 382 V C 2.287 178.357 176.094 -0.039 0.000 1.055 382 V CA 1.640 63.912 62.300 -0.047 0.000 1.049 382 V CB -0.393 31.405 31.823 -0.041 0.000 0.662 382 V HN 0.379 nan 8.190 nan 0.000 0.455 383 L N -0.859 120.332 121.223 -0.053 0.000 2.217 383 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 383 L C 2.349 179.189 176.870 -0.049 0.000 1.107 383 L CA 0.719 55.531 54.840 -0.046 0.000 0.783 383 L CB -0.416 41.610 42.059 -0.056 0.000 0.919 383 L HN 0.201 nan 8.230 nan 0.000 0.442 384 V N -0.051 119.822 119.914 -0.069 0.000 2.453 384 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 384 V C 2.335 178.404 176.094 -0.041 0.000 1.048 384 V CA 1.292 63.550 62.300 -0.069 0.000 1.049 384 V CB -0.174 31.588 31.823 -0.102 0.000 0.672 384 V HN 0.339 nan 8.190 nan 0.000 0.457 385 L N -0.455 120.746 121.223 -0.037 0.000 2.083 385 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 385 L C 2.474 179.345 176.870 0.002 0.000 1.083 385 L CA 1.624 56.453 54.840 -0.019 0.000 0.752 385 L CB -0.511 41.536 42.059 -0.019 0.000 0.899 385 L HN 0.292 nan 8.230 nan 0.000 0.433 386 K N -0.466 119.937 120.400 0.005 0.000 2.366 386 K HA 0.029 4.349 4.320 -0.000 0.000 0.198 386 K C 1.327 177.940 176.600 0.021 0.000 1.044 386 K CA 0.688 56.990 56.287 0.026 0.000 0.973 386 K CB 0.146 32.664 32.500 0.029 0.000 0.767 386 K HN 0.442 nan 8.250 nan 0.000 0.475 387 G N 1.273 110.074 108.800 0.003 0.000 2.175 387 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.244 387 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.244 387 G C 0.629 175.521 174.900 -0.014 0.000 0.982 387 G CA 0.335 45.435 45.100 -0.001 0.000 0.641 387 G HN 0.338 nan 8.290 nan 0.000 0.527 388 E N -0.005 120.187 120.200 -0.013 0.000 2.208 388 E HA 0.278 4.628 4.350 -0.000 0.000 0.193 388 E C 1.455 178.036 176.600 -0.031 0.000 0.988 388 E CA 1.144 57.533 56.400 -0.018 0.000 0.828 388 E CB 0.183 29.876 29.700 -0.010 0.000 0.763 388 E HN 0.884 nan 8.360 nan 0.000 0.478 389 A N 0.465 123.260 122.820 -0.042 0.000 2.430 389 A HA 0.357 4.677 4.320 -0.000 0.000 0.300 389 A C -0.242 177.307 177.584 -0.058 0.000 1.124 389 A CA -0.683 51.319 52.037 -0.059 0.000 0.766 389 A CB 1.499 20.442 19.000 -0.095 0.000 1.328 389 A HN -0.176 nan 8.150 nan 0.000 0.424 390 D N -0.440 119.924 120.400 -0.061 0.000 2.431 390 D HA 0.449 5.089 4.640 -0.000 0.000 0.235 390 D C 0.650 176.886 176.300 -0.107 0.000 0.980 390 D CA 1.687 55.665 54.000 -0.036 0.000 0.912 390 D CB 0.765 41.587 40.800 0.037 0.000 1.056 390 D HN 0.822 nan 8.370 nan 0.000 0.494 391 A N -0.036 122.633 122.820 -0.252 0.000 2.581 391 A HA 0.754 5.074 4.320 -0.000 0.000 0.290 391 A C -1.834 175.099 177.584 -1.084 0.000 1.119 391 A CA -0.695 51.059 52.037 -0.470 0.000 0.670 391 A CB 1.210 20.023 19.000 -0.311 0.000 1.280 391 A HN 0.168 nan 8.150 nan 0.000 0.425 392 L N -1.605 118.970 121.223 -1.080 0.000 2.789 392 L HA 0.683 5.023 4.340 -0.000 0.000 0.258 392 L C -1.289 175.394 176.870 -0.310 0.000 0.966 392 L CA -0.862 53.326 54.840 -1.087 0.000 0.916 392 L CB 1.747 43.436 42.059 -0.617 0.000 1.475 392 L HN 0.726 nan 8.230 nan 0.000 0.418 393 N N 1.604 120.361 118.700 0.095 0.000 2.472 393 N HA 0.759 5.499 4.740 -0.000 0.000 0.277 393 N C -1.486 174.126 175.510 0.170 0.000 1.081 393 N CA -0.125 53.095 53.050 0.283 0.000 0.973 393 N CB 1.070 39.814 38.487 0.428 0.000 1.105 393 N HN 0.735 nan 8.380 nan 0.000 0.470 394 L N 1.180 122.507 121.223 0.172 0.000 2.393 394 L HA 0.403 4.743 4.340 -0.000 0.000 0.260 394 L C -0.485 176.396 176.870 0.018 0.000 1.002 394 L CA -1.235 53.681 54.840 0.126 0.000 0.818 394 L CB 1.961 44.094 42.059 0.123 0.000 1.369 394 L HN 0.554 nan 8.230 nan 0.000 0.412 395 D N 0.298 120.592 120.400 -0.175 0.000 2.341 395 D HA 0.214 4.853 4.640 -0.000 0.000 0.245 395 D C 1.272 177.566 176.300 -0.009 0.000 1.106 395 D CA 0.434 54.056 54.000 -0.631 0.000 0.905 395 D CB 1.941 42.431 40.800 -0.517 0.000 1.202 395 D HN 0.607 nan 8.370 nan 0.000 0.426 396 G N 2.405 111.317 108.800 0.187 0.000 2.507 396 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.221 396 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.221 396 G C 1.324 176.425 174.900 0.336 0.000 1.119 396 G CA 0.827 46.149 45.100 0.370 0.000 0.751 396 G HN 0.622 nan 8.290 nan 0.000 0.574 397 G N -0.897 108.021 108.800 0.197 0.000 2.511 397 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.217 397 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.217 397 G C 1.491 176.454 174.900 0.104 0.000 1.133 397 G CA 0.580 45.732 45.100 0.087 0.000 0.792 397 G HN 0.420 nan 8.290 nan 0.000 0.539 398 Y N 0.289 120.665 120.300 0.126 0.000 2.420 398 Y HA 0.273 4.823 4.550 -0.000 0.000 0.292 398 Y C 2.541 178.484 175.900 0.070 0.000 1.119 398 Y CA -0.611 57.535 58.100 0.076 0.000 1.229 398 Y CB -0.154 38.322 38.460 0.026 0.000 1.026 398 Y HN 0.128 nan 8.280 nan 0.000 0.554 399 I N -1.181 119.553 120.570 0.273 0.000 2.361 399 I HA -0.351 3.819 4.170 -0.000 0.000 0.251 399 I C 2.251 178.469 176.117 0.168 0.000 1.133 399 I CA 1.410 62.836 61.300 0.210 0.000 1.413 399 I CB -0.367 37.798 38.000 0.275 0.000 1.073 399 I HN 0.185 nan 8.210 nan 0.000 0.424 400 Y N 1.585 121.937 120.300 0.087 0.000 2.181 400 Y HA -0.281 4.269 4.550 -0.000 0.000 0.288 400 Y C 2.618 178.421 175.900 -0.162 0.000 1.146 400 Y CA 2.149 60.256 58.100 0.012 0.000 1.164 400 Y CB -0.527 37.937 38.460 0.006 0.000 0.982 400 Y HN 0.028 nan 8.280 nan 0.000 0.515 401 T N 0.560 115.103 114.554 -0.018 0.000 2.777 401 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 401 T C 2.088 176.663 174.700 -0.208 0.000 1.040 401 T CA 1.376 63.412 62.100 -0.106 0.000 1.141 401 T CB -0.681 68.243 68.868 0.093 0.000 0.868 401 T HN 0.485 nan 8.240 nan 0.000 0.444 402 A N 1.149 123.882 122.820 -0.145 0.000 1.969 402 A HA 0.197 4.517 4.320 -0.000 0.000 0.218 402 A C 2.548 179.975 177.584 -0.261 0.000 1.169 402 A CA 1.632 53.577 52.037 -0.153 0.000 0.635 402 A CB -1.076 17.882 19.000 -0.071 0.000 0.810 402 A HN 0.508 nan 8.150 nan 0.000 0.445 403 G N -0.611 107.906 108.800 -0.473 0.000 2.464 403 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 403 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 403 G C 1.493 175.819 174.900 -0.957 0.000 1.138 403 G CA 0.622 45.259 45.100 -0.771 0.000 0.793 403 G HN 0.516 nan 8.290 nan 0.000 0.539 404 K N -0.393 119.439 120.400 -0.947 0.000 2.525 404 K HA 0.074 4.394 4.320 -0.000 0.000 0.192 404 K C 0.970 177.393 176.600 -0.296 0.000 1.029 404 K CA 0.135 56.068 56.287 -0.590 0.000 1.029 404 K CB 0.034 32.169 32.500 -0.607 0.000 0.814 404 K HN 0.311 nan 8.250 nan 0.000 0.503 405 c N -0.148 118.299 118.600 -0.256 0.000 3.104 405 c HA 0.273 4.843 4.570 -0.000 0.000 0.284 405 c C 1.306 175.329 174.090 -0.111 0.000 1.326 405 c CA -0.115 56.129 56.329 -0.141 0.000 1.725 405 c CB -0.137 42.304 42.510 -0.115 0.000 2.156 405 c HN 0.701 nan 8.230 nan 0.000 0.638 406 G N 1.213 109.932 108.800 -0.135 0.000 2.157 406 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.248 406 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.248 406 G C -0.014 174.861 174.900 -0.042 0.000 0.979 406 G CA -0.164 44.896 45.100 -0.066 0.000 0.650 406 G HN 0.503 nan 8.290 nan 0.000 0.529 407 L N 0.560 121.743 121.223 -0.066 0.000 2.418 407 L HA 0.655 4.994 4.340 -0.000 0.000 0.265 407 L C 1.116 177.987 176.870 0.003 0.000 1.143 407 L CA -0.707 54.111 54.840 -0.035 0.000 0.809 407 L CB 1.373 43.400 42.059 -0.054 0.000 1.124 407 L HN 0.293 nan 8.230 nan 0.000 0.456 408 V N -0.071 119.855 119.914 0.020 0.000 2.815 408 V HA 0.661 4.781 4.120 -0.000 0.000 0.314 408 V C -2.617 173.492 176.094 0.025 0.000 1.064 408 V CA -2.394 59.934 62.300 0.046 0.000 0.952 408 V CB 1.624 33.478 31.823 0.051 0.000 1.020 408 V HN 0.498 nan 8.190 nan 0.000 0.439 409 P HA 0.388 nan 4.420 nan 0.000 0.279 409 P C 0.221 177.512 177.300 -0.015 0.000 1.239 409 P CA -0.115 62.952 63.100 -0.055 0.000 0.789 409 P CB 1.846 33.447 31.700 -0.165 0.000 0.933 410 V N 2.481 122.395 119.914 0.000 0.000 2.948 410 V HA 0.243 4.362 4.120 -0.000 0.000 0.234 410 V C 0.731 176.861 176.094 0.060 0.000 1.205 410 V CA 0.701 63.030 62.300 0.050 0.000 1.234 410 V CB -0.259 31.619 31.823 0.092 0.000 1.020 410 V HN 0.325 nan 8.190 nan 0.000 0.491 411 L N -0.273 120.995 121.223 0.075 0.000 2.466 411 L HA 0.843 5.183 4.340 -0.000 0.000 0.258 411 L C -0.755 176.173 176.870 0.098 0.000 0.973 411 L CA -0.466 54.432 54.840 0.096 0.000 0.826 411 L CB 2.132 44.274 42.059 0.139 0.000 1.372 411 L HN 0.181 nan 8.230 nan 0.000 0.409 412 A N 1.179 124.064 122.820 0.109 0.000 2.337 412 A HA 0.661 4.981 4.320 -0.000 0.000 0.331 412 A C -0.660 177.018 177.584 0.157 0.000 1.137 412 A CA -0.520 51.617 52.037 0.167 0.000 0.807 412 A CB 1.027 20.192 19.000 0.274 0.000 1.250 412 A HN 0.728 nan 8.150 nan 0.000 0.468 413 E N 0.685 120.999 120.200 0.190 0.000 2.316 413 E HA 0.203 4.553 4.350 -0.000 0.000 0.275 413 E C -0.945 175.679 176.600 0.040 0.000 1.029 413 E CA -0.072 56.378 56.400 0.084 0.000 0.871 413 E CB 0.561 30.338 29.700 0.129 0.000 1.022 413 E HN 0.486 nan 8.360 nan 0.000 0.418 414 N N 2.440 121.104 118.700 -0.059 0.000 2.410 414 N HA 0.201 4.941 4.740 -0.000 0.000 0.287 414 N C -1.242 174.197 175.510 -0.119 0.000 1.044 414 N CA -0.600 52.419 53.050 -0.052 0.000 0.881 414 N CB 0.880 39.347 38.487 -0.033 0.000 1.405 414 N HN 0.363 nan 8.380 nan 0.000 0.490 415 R N 1.198 121.639 120.500 -0.098 0.000 2.603 415 R HA 0.570 4.910 4.340 -0.000 0.000 0.231 415 R C -0.353 175.893 176.300 -0.090 0.000 1.263 415 R CA -0.825 55.203 56.100 -0.121 0.000 1.102 415 R CB 0.542 30.769 30.300 -0.122 0.000 1.527 415 R HN 0.199 nan 8.270 nan 0.000 0.554 416 K N 1.017 121.362 120.400 -0.093 0.000 2.379 416 K HA 0.122 4.442 4.320 -0.000 0.000 0.284 416 K C 0.015 176.572 176.600 -0.071 0.000 1.044 416 K CA -0.250 55.992 56.287 -0.075 0.000 0.974 416 K CB 1.111 33.562 32.500 -0.082 0.000 0.962 416 K HN 0.645 nan 8.250 nan 0.000 0.474 417 S N 0.784 116.456 115.700 -0.046 0.000 2.694 417 S HA 0.170 4.640 4.470 -0.000 0.000 0.278 417 S C 1.081 175.641 174.600 -0.066 0.000 1.152 417 S CA -0.105 58.069 58.200 -0.044 0.000 1.010 417 S CB 1.308 64.512 63.200 0.007 0.000 1.104 417 S HN 0.595 nan 8.310 nan 0.000 0.547 418 S N 0.225 115.878 115.700 -0.079 0.000 2.492 418 S HA 0.108 4.577 4.470 -0.000 0.000 0.218 418 S C 1.499 176.033 174.600 -0.109 0.000 1.016 418 S CA -0.061 58.082 58.200 -0.095 0.000 0.916 418 S CB -0.371 62.770 63.200 -0.098 0.000 0.791 418 S HN 0.780 nan 8.310 nan 0.000 0.513 419 K N 1.639 121.953 120.400 -0.143 0.000 2.118 419 K HA 0.158 4.478 4.320 -0.000 0.000 0.214 419 K C 0.002 176.448 176.600 -0.257 0.000 1.023 419 K CA 0.378 56.510 56.287 -0.258 0.000 0.948 419 K CB -1.143 31.097 32.500 -0.433 0.000 0.851 419 K HN 0.445 nan 8.250 nan 0.000 0.455 420 H N 0.767 119.817 119.070 -0.035 0.000 2.707 420 H HA 0.157 4.713 4.556 -0.000 0.000 0.359 420 H C 0.280 175.588 175.328 -0.033 0.000 1.113 420 H CA 0.419 56.449 56.048 -0.030 0.000 1.422 420 H CB 1.148 30.895 29.762 -0.026 0.000 1.443 420 H HN 0.360 nan 8.280 nan 0.000 0.591 421 S N -0.148 115.619 115.700 0.112 0.000 2.617 421 S HA -0.031 4.439 4.470 -0.000 0.000 0.278 421 S C 1.616 176.241 174.600 0.041 0.000 1.082 421 S CA 0.146 58.374 58.200 0.046 0.000 1.228 421 S CB 0.250 63.458 63.200 0.014 0.000 1.130 421 S HN 0.642 nan 8.310 nan 0.000 0.621 422 S N 2.388 118.131 115.700 0.072 0.000 2.325 422 S HA 0.205 4.675 4.470 -0.000 0.000 0.213 422 S C 0.723 175.330 174.600 0.011 0.000 1.031 422 S CA 0.044 58.274 58.200 0.049 0.000 0.984 422 S CB -0.756 62.500 63.200 0.094 0.000 0.939 422 S HN 0.408 nan 8.310 nan 0.000 0.438 423 L N 2.870 124.081 121.223 -0.021 0.000 2.455 423 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 423 L C -0.086 176.744 176.870 -0.067 0.000 1.174 423 L CA -0.230 54.549 54.840 -0.101 0.000 0.869 423 L CB 0.543 42.425 42.059 -0.296 0.000 1.130 423 L HN 0.370 nan 8.230 nan 0.000 0.474 424 D N 2.657 123.025 120.400 -0.053 0.000 2.414 424 D HA -0.080 4.560 4.640 -0.000 0.000 0.242 424 D C 1.057 177.332 176.300 -0.042 0.000 1.129 424 D CA -0.077 53.901 54.000 -0.036 0.000 0.885 424 D CB 1.273 42.056 40.800 -0.028 0.000 1.198 424 D HN 0.677 nan 8.370 nan 0.000 0.437 425 c N 3.330 121.910 118.600 -0.032 0.000 2.396 425 c HA -0.166 4.404 4.570 -0.000 0.000 0.277 425 c C 2.468 176.541 174.090 -0.029 0.000 1.231 425 c CA 1.150 57.458 56.329 -0.034 0.000 1.775 425 c CB -0.930 41.555 42.510 -0.041 0.000 2.036 425 c HN 0.608 nan 8.230 nan 0.000 0.484 426 V N 0.893 120.796 119.914 -0.019 0.000 2.427 426 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 426 V C 2.242 178.333 176.094 -0.005 0.000 1.051 426 V CA 2.133 64.431 62.300 -0.004 0.000 1.048 426 V CB -0.569 31.256 31.823 0.003 0.000 0.666 426 V HN 0.608 nan 8.190 nan 0.000 0.456 427 L N -0.857 120.353 121.223 -0.021 0.000 2.529 427 L HA 0.171 4.511 4.340 -0.000 0.000 0.223 427 L C 1.417 178.254 176.870 -0.054 0.000 1.113 427 L CA 0.124 54.946 54.840 -0.030 0.000 0.861 427 L CB -0.124 41.913 42.059 -0.036 0.000 1.012 427 L HN 0.170 nan 8.230 nan 0.000 0.461 428 R N 1.847 122.308 120.500 -0.064 0.000 2.390 428 R HA 0.255 4.595 4.340 -0.000 0.000 0.291 428 R C -2.383 173.896 176.300 -0.035 0.000 1.070 428 R CA -1.598 54.449 56.100 -0.088 0.000 1.014 428 R CB 0.852 31.103 30.300 -0.081 0.000 1.007 428 R HN -0.172 nan 8.270 nan 0.000 0.466 429 P HA 0.023 nan 4.420 nan 0.000 0.271 429 P C -0.772 176.540 177.300 0.020 0.000 1.218 429 P CA -0.051 63.053 63.100 0.007 0.000 0.780 429 P CB 0.904 32.607 31.700 0.005 0.000 0.901 430 T N -1.301 113.274 114.554 0.035 0.000 2.913 430 T HA 0.207 4.557 4.350 -0.000 0.000 0.297 430 T C 0.736 175.441 174.700 0.009 0.000 1.029 430 T CA -0.242 61.881 62.100 0.038 0.000 1.104 430 T CB 0.856 69.772 68.868 0.081 0.000 0.964 430 T HN 0.358 nan 8.240 nan 0.000 0.532 431 E N 1.371 121.570 120.200 -0.001 0.000 2.290 431 E HA 0.420 4.770 4.350 -0.000 0.000 0.197 431 E C 0.994 177.560 176.600 -0.055 0.000 0.948 431 E CA 0.050 56.433 56.400 -0.028 0.000 0.895 431 E CB 0.171 29.852 29.700 -0.032 0.000 0.865 431 E HN 1.128 nan 8.360 nan 0.000 0.486 432 G N 0.997 109.777 108.800 -0.033 0.000 2.697 432 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 432 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 432 G C -0.834 174.033 174.900 -0.055 0.000 1.179 432 G CA -0.509 44.539 45.100 -0.087 0.000 0.765 432 G HN 0.196 nan 8.290 nan 0.000 0.649 433 Y N -0.699 119.539 120.300 -0.102 0.000 2.488 433 Y HA 0.840 5.389 4.550 -0.000 0.000 0.325 433 Y C 0.489 176.295 175.900 -0.156 0.000 1.204 433 Y CA -1.904 56.117 58.100 -0.132 0.000 1.229 433 Y CB 1.169 39.551 38.460 -0.130 0.000 1.274 433 Y HN 0.541 nan 8.280 nan 0.000 0.493 434 L N 2.924 124.157 121.223 0.017 0.000 2.264 434 L HA 0.606 4.946 4.340 -0.000 0.000 0.289 434 L C -0.006 176.898 176.870 0.057 0.000 1.044 434 L CA -1.089 53.679 54.840 -0.120 0.000 0.807 434 L CB 1.280 43.217 42.059 -0.204 0.000 1.192 434 L HN 0.941 nan 8.230 nan 0.000 0.425 435 A N 4.677 127.528 122.820 0.051 0.000 2.309 435 A HA 0.597 4.917 4.320 -0.000 0.000 0.290 435 A C -0.158 177.528 177.584 0.170 0.000 1.206 435 A CA -0.407 51.722 52.037 0.153 0.000 0.850 435 A CB 0.608 19.670 19.000 0.104 0.000 1.118 435 A HN 0.553 nan 8.150 nan 0.000 0.523 436 V N -0.811 119.217 119.914 0.191 0.000 3.074 436 V HA 0.961 5.081 4.120 -0.000 0.000 0.314 436 V C -0.025 176.201 176.094 0.220 0.000 1.117 436 V CA -0.569 61.838 62.300 0.178 0.000 1.014 436 V CB 1.687 33.584 31.823 0.124 0.000 1.057 436 V HN 1.565 nan 8.190 nan 0.000 0.438 437 A N 2.005 124.937 122.820 0.186 0.000 2.323 437 A HA 0.807 5.127 4.320 -0.000 0.000 0.305 437 A C -0.664 176.948 177.584 0.047 0.000 1.275 437 A CA -0.535 51.570 52.037 0.113 0.000 0.804 437 A CB 0.847 20.035 19.000 0.312 0.000 1.152 437 A HN 1.232 nan 8.150 nan 0.000 0.487 438 V N 3.191 123.095 119.914 -0.015 0.000 2.483 438 V HA 0.700 4.820 4.120 -0.000 0.000 0.295 438 V C 0.441 176.567 176.094 0.054 0.000 1.035 438 V CA -0.376 61.956 62.300 0.052 0.000 0.896 438 V CB 1.151 33.020 31.823 0.077 0.000 0.986 438 V HN 1.050 nan 8.190 nan 0.000 0.447 439 V N 1.120 121.116 119.914 0.137 0.000 3.156 439 V HA 0.751 4.871 4.120 -0.000 0.000 0.311 439 V C -0.657 175.573 176.094 0.226 0.000 1.208 439 V CA -1.180 61.195 62.300 0.126 0.000 1.063 439 V CB 2.283 34.146 31.823 0.068 0.000 1.098 439 V HN 0.630 nan 8.190 nan 0.000 0.452 440 K N 1.175 121.627 120.400 0.086 0.000 2.144 440 K HA 0.383 4.703 4.320 -0.000 0.000 0.270 440 K C 0.720 177.279 176.600 -0.068 0.000 1.005 440 K CA -0.541 55.697 56.287 -0.082 0.000 0.932 440 K CB 1.490 33.906 32.500 -0.140 0.000 1.021 440 K HN 0.743 nan 8.250 nan 0.000 0.462 441 K N 1.747 122.070 120.400 -0.130 0.000 2.097 441 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 441 K C 1.266 177.828 176.600 -0.063 0.000 1.050 441 K CA 1.126 57.371 56.287 -0.071 0.000 0.938 441 K CB 0.031 32.480 32.500 -0.085 0.000 0.718 441 K HN 0.642 nan 8.250 nan 0.000 0.442 442 A N 1.332 124.097 122.820 -0.092 0.000 2.259 442 A HA -0.060 4.260 4.320 -0.000 0.000 0.212 442 A C 0.383 177.939 177.584 -0.048 0.000 1.178 442 A CA 0.600 52.594 52.037 -0.071 0.000 0.734 442 A CB -0.250 18.696 19.000 -0.089 0.000 0.774 442 A HN 0.257 nan 8.150 nan 0.000 0.481 443 N N 1.847 120.525 118.700 -0.037 0.000 2.918 443 N HA 0.108 4.848 4.740 -0.000 0.000 0.270 443 N C -1.035 174.471 175.510 -0.007 0.000 1.536 443 N CA -0.141 52.897 53.050 -0.021 0.000 0.877 443 N CB 0.713 39.189 38.487 -0.019 0.000 1.190 443 N HN 0.483 nan 8.380 nan 0.000 0.492 444 E N -0.446 119.749 120.200 -0.008 0.000 2.398 444 E HA 0.202 4.552 4.350 -0.000 0.000 0.263 444 E C 1.068 177.672 176.600 0.007 0.000 1.046 444 E CA -0.014 56.387 56.400 0.002 0.000 0.908 444 E CB 1.053 30.752 29.700 -0.002 0.000 0.963 444 E HN 0.568 nan 8.360 nan 0.000 0.431 445 G N 1.237 110.046 108.800 0.016 0.000 2.157 445 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.239 445 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.239 445 G C -0.317 174.599 174.900 0.025 0.000 0.982 445 G CA -0.097 45.014 45.100 0.018 0.000 0.650 445 G HN 0.343 nan 8.290 nan 0.000 0.527 446 L N 2.653 123.896 121.223 0.033 0.000 2.264 446 L HA 0.747 5.087 4.340 -0.000 0.000 0.287 446 L C 0.826 177.741 176.870 0.074 0.000 1.039 446 L CA 0.244 55.111 54.840 0.045 0.000 0.829 446 L CB 0.704 42.787 42.059 0.040 0.000 1.211 446 L HN 0.512 nan 8.230 nan 0.000 0.427 447 T N 1.062 115.669 114.554 0.087 0.000 2.905 447 T HA 0.187 4.537 4.350 -0.000 0.000 0.283 447 T C 0.794 175.609 174.700 0.190 0.000 1.031 447 T CA -0.537 61.645 62.100 0.138 0.000 1.002 447 T CB 0.641 69.580 68.868 0.119 0.000 1.200 447 T HN 0.603 nan 8.240 nan 0.000 0.560 448 W N 1.183 122.531 121.300 0.081 0.000 2.425 448 W HA -0.103 4.557 4.660 -0.000 0.000 0.277 448 W C 1.192 177.778 176.519 0.112 0.000 1.231 448 W CA 1.274 58.686 57.345 0.111 0.000 1.248 448 W CB -0.382 29.134 29.460 0.094 0.000 1.117 448 W HN 0.685 nan 8.180 nan 0.000 0.568 449 N N 0.644 119.408 118.700 0.108 0.000 2.216 449 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 449 N C 1.454 176.946 175.510 -0.030 0.000 1.017 449 N CA 1.736 54.804 53.050 0.030 0.000 0.861 449 N CB -0.876 37.659 38.487 0.081 0.000 0.986 449 N HN 0.044 nan 8.380 nan 0.000 0.428 450 S N 0.378 116.072 115.700 -0.011 0.000 2.849 450 S HA 0.292 4.762 4.470 -0.000 0.000 0.244 450 S C 1.171 175.737 174.600 -0.058 0.000 1.297 450 S CA -0.401 57.779 58.200 -0.033 0.000 1.241 450 S CB -0.534 62.664 63.200 -0.004 0.000 0.958 450 S HN 0.174 nan 8.310 nan 0.000 0.489 451 L N 0.078 121.235 121.223 -0.109 0.000 2.513 451 L HA 0.307 4.647 4.340 -0.000 0.000 0.222 451 L C 1.322 177.995 176.870 -0.329 0.000 1.096 451 L CA 0.147 54.926 54.840 -0.101 0.000 0.857 451 L CB 0.077 42.075 42.059 -0.101 0.000 1.026 451 L HN 0.362 nan 8.230 nan 0.000 0.469 452 K N 1.241 121.319 120.400 -0.537 0.000 2.326 452 K HA -0.023 4.297 4.320 -0.000 0.000 0.275 452 K C 0.320 176.621 176.600 -0.498 0.000 1.018 452 K CA 0.743 56.450 56.287 -0.967 0.000 0.962 452 K CB 0.483 32.526 32.500 -0.762 0.000 0.953 452 K HN 0.282 nan 8.250 nan 0.000 0.475 453 D N 0.880 120.997 120.400 -0.472 0.000 3.012 453 D HA -0.184 4.455 4.640 -0.000 0.000 0.222 453 D C -0.857 175.421 176.300 -0.037 0.000 1.167 453 D CA 1.254 55.146 54.000 -0.179 0.000 0.854 453 D CB -0.719 39.998 40.800 -0.137 0.000 1.107 453 D HN 0.366 nan 8.370 nan 0.000 0.421 454 K N 0.030 120.459 120.400 0.049 0.000 2.210 454 K HA 0.531 4.851 4.320 -0.000 0.000 0.236 454 K C 0.537 177.276 176.600 0.231 0.000 1.016 454 K CA -0.805 55.561 56.287 0.131 0.000 0.913 454 K CB 0.774 33.356 32.500 0.138 0.000 1.141 454 K HN 0.106 nan 8.250 nan 0.000 0.462 455 K N 1.153 121.621 120.400 0.113 0.000 2.172 455 K HA 0.240 4.559 4.320 -0.000 0.000 0.276 455 K C -0.090 176.457 176.600 -0.088 0.000 1.013 455 K CA -0.329 55.984 56.287 0.043 0.000 0.913 455 K CB 1.332 33.829 32.500 -0.005 0.000 1.055 455 K HN 0.713 nan 8.250 nan 0.000 0.461 456 S N 0.449 115.992 115.700 -0.261 0.000 2.600 456 S HA 0.595 5.065 4.470 -0.000 0.000 0.300 456 S C -0.596 173.777 174.600 -0.378 0.000 1.087 456 S CA -0.882 56.998 58.200 -0.535 0.000 0.965 456 S CB 1.196 63.608 63.200 -1.313 0.000 1.089 456 S HN 0.609 nan 8.310 nan 0.000 0.496 457 c N 2.660 120.983 118.600 -0.461 0.000 2.396 457 c HA 0.697 5.267 4.570 -0.000 0.000 0.321 457 c C -0.452 173.467 174.090 -0.286 0.000 1.233 457 c CA -0.602 55.562 56.329 -0.274 0.000 1.440 457 c CB -0.015 42.362 42.510 -0.222 0.000 2.110 457 c HN 0.912 nan 8.230 nan 0.000 0.473 458 H N 0.868 120.033 119.070 0.158 0.000 2.679 458 H HA 0.308 4.864 4.556 -0.000 0.000 0.367 458 H C 0.888 176.296 175.328 0.134 0.000 1.162 458 H CA -0.083 56.108 56.048 0.239 0.000 1.181 458 H CB 1.946 31.896 29.762 0.314 0.000 1.693 458 H HN 0.694 nan 8.280 nan 0.000 0.538 459 T N -0.551 114.126 114.554 0.204 0.000 2.821 459 T HA 0.255 4.605 4.350 -0.000 0.000 0.267 459 T C 0.834 175.475 174.700 -0.099 0.000 1.046 459 T CA 0.765 62.843 62.100 -0.037 0.000 1.139 459 T CB 0.207 68.960 68.868 -0.192 0.000 0.871 459 T HN 0.768 nan 8.240 nan 0.000 0.454 460 A N -0.481 122.380 122.820 0.068 0.000 2.481 460 A HA 0.530 4.850 4.320 -0.000 0.000 0.295 460 A C -1.010 176.562 177.584 -0.020 0.000 0.986 460 A CA -0.734 51.367 52.037 0.107 0.000 0.617 460 A CB 0.311 19.468 19.000 0.262 0.000 1.364 460 A HN 0.365 nan 8.150 nan 0.000 0.452 461 V N 1.556 121.325 119.914 -0.242 0.000 2.775 461 V HA 0.445 4.565 4.120 -0.000 0.000 0.299 461 V C 0.668 176.505 176.094 -0.427 0.000 1.062 461 V CA 1.042 62.881 62.300 -0.769 0.000 1.063 461 V CB 0.939 32.209 31.823 -0.921 0.000 0.994 461 V HN 1.039 nan 8.190 nan 0.000 0.483 462 D N 0.480 120.607 120.400 -0.456 0.000 3.046 462 D HA -0.162 4.477 4.640 -0.000 0.000 0.210 462 D C 0.555 176.724 176.300 -0.218 0.000 1.124 462 D CA 1.133 55.054 54.000 -0.132 0.000 0.986 462 D CB -0.529 40.223 40.800 -0.080 0.000 1.118 462 D HN 0.693 nan 8.370 nan 0.000 0.416 463 R N -0.121 120.281 120.500 -0.163 0.000 2.532 463 R HA 0.437 4.777 4.340 -0.000 0.000 0.272 463 R C 1.671 178.013 176.300 0.070 0.000 1.032 463 R CA -0.066 55.906 56.100 -0.213 0.000 1.089 463 R CB 0.697 30.869 30.300 -0.213 0.000 1.098 463 R HN -0.082 nan 8.270 nan 0.000 0.526 464 T N 0.904 115.540 114.554 0.137 0.000 2.588 464 T HA -0.212 4.138 4.350 -0.000 0.000 0.261 464 T C 1.793 176.603 174.700 0.184 0.000 1.069 464 T CA 1.741 63.968 62.100 0.211 0.000 1.172 464 T CB -0.279 68.701 68.868 0.187 0.000 0.863 464 T HN 0.727 nan 8.240 nan 0.000 0.408 465 A N 1.221 124.217 122.820 0.293 0.000 1.898 465 A HA 0.223 4.543 4.320 -0.000 0.000 0.216 465 A C 2.565 180.326 177.584 0.295 0.000 1.181 465 A CA 1.658 53.889 52.037 0.323 0.000 0.620 465 A CB -1.192 18.113 19.000 0.509 0.000 0.819 465 A HN 0.540 nan 8.150 nan 0.000 0.442 466 G N -3.105 105.857 108.800 0.271 0.000 2.712 466 G HA2 0.030 3.990 3.960 -0.000 0.000 0.212 466 G HA3 0.030 3.990 3.960 -0.000 0.000 0.212 466 G C 1.173 176.318 174.900 0.408 0.000 1.142 466 G CA 0.755 46.063 45.100 0.347 0.000 0.789 466 G HN 0.617 nan 8.290 nan 0.000 0.535 467 W N 0.030 121.341 121.300 0.018 0.000 4.712 467 W HA 0.071 4.730 4.660 -0.000 0.000 0.191 467 W C 1.741 178.190 176.519 -0.116 0.000 1.193 467 W CA 0.169 57.456 57.345 -0.097 0.000 2.258 467 W CB -0.393 28.974 29.460 -0.156 0.000 0.953 467 W HN 0.224 nan 8.180 nan 0.000 0.923 468 N N 1.141 119.845 118.700 0.006 0.000 2.094 468 N HA -0.231 4.509 4.740 -0.000 0.000 0.191 468 N C 1.581 177.039 175.510 -0.087 0.000 1.023 468 N CA 2.299 55.325 53.050 -0.040 0.000 0.857 468 N CB -0.214 38.370 38.487 0.162 0.000 1.013 468 N HN -0.046 nan 8.380 nan 0.000 0.426 469 I N 0.893 121.438 120.570 -0.041 0.000 2.133 469 I HA -0.102 4.068 4.170 -0.000 0.000 0.238 469 I C -0.695 175.357 176.117 -0.108 0.000 1.074 469 I CA 1.234 62.502 61.300 -0.054 0.000 1.342 469 I CB -2.517 35.465 38.000 -0.029 0.000 1.053 469 I HN 0.100 nan 8.210 nan 0.000 0.404 470 P HA -0.095 nan 4.420 nan 0.000 0.217 470 P C 1.877 178.976 177.300 -0.335 0.000 1.154 470 P CA 1.372 64.344 63.100 -0.213 0.000 0.841 470 P CB -0.062 31.177 31.700 -0.768 0.000 0.788 471 M N -0.486 118.754 119.600 -0.600 0.000 2.254 471 M HA 0.044 4.523 4.480 -0.000 0.000 0.265 471 M C 2.382 178.404 176.300 -0.464 0.000 1.066 471 M CA 1.514 56.376 55.300 -0.730 0.000 1.123 471 M CB -2.307 29.405 32.600 -1.481 0.000 1.388 471 M HN -0.025 nan 8.290 nan 0.000 0.425 472 G N 0.140 108.730 108.800 -0.350 0.000 2.402 472 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 472 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 472 G C 1.732 176.563 174.900 -0.116 0.000 1.162 472 G CA 0.316 45.301 45.100 -0.191 0.000 0.777 472 G HN 0.385 nan 8.290 nan 0.000 0.539 473 L N -0.106 121.067 121.223 -0.084 0.000 2.093 473 L HA 0.069 4.408 4.340 -0.000 0.000 0.208 473 L C 2.780 179.654 176.870 0.007 0.000 1.085 473 L CA 0.583 55.430 54.840 0.012 0.000 0.755 473 L CB -0.219 41.906 42.059 0.111 0.000 0.904 473 L HN 0.180 nan 8.230 nan 0.000 0.435 474 I N -1.344 119.147 120.570 -0.131 0.000 2.315 474 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 474 I C 2.372 178.315 176.117 -0.289 0.000 1.117 474 I CA 0.746 61.832 61.300 -0.356 0.000 1.404 474 I CB -0.078 37.443 38.000 -0.797 0.000 1.071 474 I HN -0.027 nan 8.210 nan 0.000 0.419 475 V N 1.058 120.854 119.914 -0.197 0.000 2.427 475 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 475 V C 2.033 178.098 176.094 -0.050 0.000 1.051 475 V CA 1.914 64.162 62.300 -0.088 0.000 1.048 475 V CB -0.689 31.119 31.823 -0.026 0.000 0.666 475 V HN 0.437 nan 8.190 nan 0.000 0.456 476 N N -0.319 118.353 118.700 -0.046 0.000 2.216 476 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 476 N C 1.876 177.383 175.510 -0.005 0.000 1.017 476 N CA 1.110 54.150 53.050 -0.017 0.000 0.861 476 N CB -0.149 38.332 38.487 -0.011 0.000 0.986 476 N HN 0.540 nan 8.380 nan 0.000 0.428 477 Q N -1.029 118.765 119.800 -0.009 0.000 2.354 477 Q HA 0.036 4.375 4.340 -0.000 0.000 0.203 477 Q C 1.581 177.582 176.000 0.001 0.000 0.933 477 Q CA 1.205 57.017 55.803 0.015 0.000 0.901 477 Q CB 0.257 29.031 28.738 0.060 0.000 1.007 477 Q HN 0.543 nan 8.270 nan 0.000 0.495 478 T N -3.895 110.642 114.554 -0.029 0.000 2.976 478 T HA 0.148 4.498 4.350 -0.000 0.000 0.257 478 T C 1.456 176.158 174.700 0.004 0.000 1.051 478 T CA 0.612 62.710 62.100 -0.004 0.000 1.141 478 T CB 0.097 68.960 68.868 -0.010 0.000 0.881 478 T HN 0.334 nan 8.240 nan 0.000 0.461 479 G N 0.800 109.598 108.800 -0.003 0.000 2.149 479 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.235 479 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.235 479 G C 0.027 174.930 174.900 0.007 0.000 1.018 479 G CA 0.374 45.477 45.100 0.004 0.000 0.728 479 G HN 1.074 nan 8.290 nan 0.000 0.508 480 S N -2.364 113.339 115.700 0.005 0.000 2.661 480 S HA 0.646 5.116 4.470 -0.000 0.000 0.285 480 S C 0.638 175.246 174.600 0.014 0.000 1.138 480 S CA 0.169 58.373 58.200 0.007 0.000 0.855 480 S CB 1.579 64.785 63.200 0.010 0.000 1.136 480 S HN 0.713 nan 8.310 nan 0.000 0.484 481 c N 2.038 120.638 118.600 0.001 0.000 3.243 481 c HA 0.633 5.203 4.570 -0.000 0.000 0.286 481 c C 1.160 175.153 174.090 -0.161 0.000 1.373 481 c CA 0.146 56.478 56.329 0.006 0.000 1.749 481 c CB -0.983 41.533 42.510 0.010 0.000 2.313 481 c HN 0.810 nan 8.230 nan 0.000 0.644 482 A N 0.988 123.723 122.820 -0.141 0.000 3.078 482 A HA 0.466 4.786 4.320 -0.000 0.000 0.279 482 A C 0.802 178.305 177.584 -0.135 0.000 1.594 482 A CA -0.346 51.553 52.037 -0.231 0.000 1.301 482 A CB -0.810 18.129 19.000 -0.103 0.000 1.162 482 A HN 0.593 nan 8.150 nan 0.000 0.585 483 F N 0.627 120.630 119.950 0.089 0.000 2.502 483 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 483 F C 1.589 177.529 175.800 0.234 0.000 1.111 483 F CA 0.563 58.629 58.000 0.110 0.000 1.445 483 F CB -0.573 38.442 39.000 0.026 0.000 1.081 483 F HN 0.490 nan 8.300 nan 0.000 0.558 484 D N 1.220 121.709 120.400 0.149 0.000 2.178 484 D HA -0.201 4.439 4.640 -0.000 0.000 0.202 484 D C 0.843 177.257 176.300 0.189 0.000 0.974 484 D CA 1.258 55.387 54.000 0.214 0.000 0.841 484 D CB -0.624 40.204 40.800 0.048 0.000 0.953 484 D HN 0.533 nan 8.370 nan 0.000 0.478 485 E N -1.045 119.227 120.200 0.121 0.000 2.437 485 E HA 0.125 4.475 4.350 -0.000 0.000 0.195 485 E C 0.584 177.259 176.600 0.124 0.000 1.029 485 E CA -0.467 55.994 56.400 0.102 0.000 0.948 485 E CB 0.034 29.758 29.700 0.039 0.000 1.082 485 E HN 0.167 nan 8.360 nan 0.000 0.456 486 F N 0.453 120.428 119.950 0.042 0.000 2.104 486 F HA 0.141 4.668 4.527 -0.000 0.000 0.288 486 F C 0.442 176.153 175.800 -0.149 0.000 1.107 486 F CA 0.586 58.521 58.000 -0.108 0.000 1.208 486 F CB 0.232 39.090 39.000 -0.237 0.000 1.033 486 F HN -0.169 nan 8.300 nan 0.000 0.478 487 F N 0.643 120.674 119.950 0.135 0.000 2.380 487 F HA 0.190 4.717 4.527 -0.000 0.000 0.325 487 F C 1.902 177.719 175.800 0.028 0.000 1.136 487 F CA 0.214 58.236 58.000 0.035 0.000 1.171 487 F CB 0.776 39.922 39.000 0.242 0.000 1.230 487 F HN -0.009 nan 8.300 nan 0.000 0.554 488 S N -0.194 115.624 115.700 0.197 0.000 2.387 488 S HA 0.044 4.514 4.470 -0.000 0.000 0.226 488 S C 0.220 174.905 174.600 0.142 0.000 1.026 488 S CA 0.511 58.779 58.200 0.114 0.000 0.972 488 S CB -0.109 63.127 63.200 0.060 0.000 0.814 488 S HN 0.724 nan 8.310 nan 0.000 0.477 489 Q N -0.517 119.388 119.800 0.176 0.000 2.438 489 Q HA 0.627 4.967 4.340 -0.000 0.000 0.272 489 Q C -1.681 174.405 176.000 0.144 0.000 0.994 489 Q CA -0.372 55.517 55.803 0.143 0.000 0.887 489 Q CB 2.496 31.288 28.738 0.088 0.000 1.432 489 Q HN 0.301 nan 8.270 nan 0.000 0.392 490 S N -0.008 115.784 115.700 0.155 0.000 2.732 490 S HA 0.661 5.130 4.470 -0.000 0.000 0.293 490 S C -1.625 173.065 174.600 0.151 0.000 1.159 490 S CA -0.618 57.671 58.200 0.148 0.000 0.847 490 S CB 1.862 65.235 63.200 0.288 0.000 1.169 490 S HN 0.689 nan 8.310 nan 0.000 0.501 491 c N 2.121 120.830 118.600 0.182 0.000 2.654 491 c HA 0.816 5.386 4.570 -0.000 0.000 0.315 491 c C -0.583 173.673 174.090 0.275 0.000 1.054 491 c CA -0.219 56.221 56.329 0.184 0.000 1.419 491 c CB -1.178 41.417 42.510 0.143 0.000 1.889 491 c HN 0.879 nan 8.230 nan 0.000 0.447 492 A N 7.458 130.416 122.820 0.229 0.000 2.646 492 A HA 0.711 5.031 4.320 -0.000 0.000 0.312 492 A C -2.916 174.706 177.584 0.064 0.000 1.245 492 A CA -1.089 51.052 52.037 0.175 0.000 0.755 492 A CB 0.567 19.569 19.000 0.003 0.000 1.132 492 A HN 0.644 nan 8.150 nan 0.000 0.458 493 P HA 0.301 nan 4.420 nan 0.000 0.262 493 P C 1.123 178.452 177.300 0.049 0.000 1.199 493 P CA 1.875 65.055 63.100 0.133 0.000 0.763 493 P CB 0.826 32.717 31.700 0.319 0.000 0.790 494 G N 1.637 110.431 108.800 -0.010 0.000 2.229 494 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.189 494 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.189 494 G C 0.360 175.197 174.900 -0.105 0.000 1.000 494 G CA 0.050 45.114 45.100 -0.060 0.000 0.663 494 G HN 0.802 nan 8.290 nan 0.000 0.493 495 A N -0.033 122.729 122.820 -0.098 0.000 2.301 495 A HA 0.670 4.990 4.320 -0.000 0.000 0.287 495 A C 0.144 177.718 177.584 -0.016 0.000 1.274 495 A CA 0.541 52.535 52.037 -0.072 0.000 0.865 495 A CB 0.264 19.234 19.000 -0.050 0.000 1.324 495 A HN 0.584 nan 8.150 nan 0.000 0.508 496 D N -0.923 119.484 120.400 0.012 0.000 2.343 496 D HA 0.358 4.998 4.640 -0.000 0.000 0.255 496 D C -1.870 174.446 176.300 0.026 0.000 1.187 496 D CA -1.443 52.568 54.000 0.017 0.000 0.875 496 D CB 0.984 41.800 40.800 0.027 0.000 1.136 496 D HN 0.043 nan 8.370 nan 0.000 0.469 497 P HA -0.117 nan 4.420 nan 0.000 0.220 497 P C 0.678 177.995 177.300 0.029 0.000 1.148 497 P CA 0.878 63.992 63.100 0.023 0.000 0.803 497 P CB 0.252 31.959 31.700 0.012 0.000 0.782 498 K N -0.408 120.007 120.400 0.026 0.000 2.426 498 K HA 0.136 4.456 4.320 -0.000 0.000 0.193 498 K C 1.087 177.708 176.600 0.037 0.000 1.028 498 K CA 0.264 56.567 56.287 0.027 0.000 1.047 498 K CB -0.463 32.049 32.500 0.020 0.000 0.821 498 K HN 0.260 nan 8.250 nan 0.000 0.513 499 S N 0.451 116.179 115.700 0.045 0.000 2.681 499 S HA 0.186 4.656 4.470 -0.000 0.000 0.270 499 S C 1.122 175.769 174.600 0.077 0.000 1.209 499 S CA -0.653 57.583 58.200 0.060 0.000 0.988 499 S CB 1.498 64.740 63.200 0.070 0.000 1.006 499 S HN 0.298 nan 8.310 nan 0.000 0.558 500 R N -0.062 120.495 120.500 0.095 0.000 2.323 500 R HA 0.206 4.546 4.340 -0.000 0.000 0.198 500 R C 1.066 177.456 176.300 0.150 0.000 0.988 500 R CA 0.695 56.862 56.100 0.113 0.000 1.041 500 R CB -0.761 29.607 30.300 0.114 0.000 0.926 500 R HN 0.647 nan 8.270 nan 0.000 0.476 501 L N -0.494 120.825 121.223 0.160 0.000 2.558 501 L HA 0.077 4.416 4.340 -0.000 0.000 0.225 501 L C 1.360 178.314 176.870 0.141 0.000 1.128 501 L CA 0.095 55.047 54.840 0.186 0.000 0.868 501 L CB 0.327 42.501 42.059 0.192 0.000 1.006 501 L HN 0.325 nan 8.230 nan 0.000 0.454 502 c N -1.203 117.462 118.600 0.109 0.000 3.065 502 c HA 0.288 4.858 4.570 -0.000 0.000 0.285 502 c C 2.809 176.956 174.090 0.094 0.000 1.257 502 c CA 0.045 56.429 56.329 0.093 0.000 1.691 502 c CB -0.194 42.355 42.510 0.064 0.000 2.089 502 c HN 0.561 nan 8.230 nan 0.000 0.630 503 A N 0.676 123.552 122.820 0.093 0.000 2.009 503 A HA -0.176 4.143 4.320 -0.000 0.000 0.222 503 A C 1.483 179.116 177.584 0.083 0.000 1.175 503 A CA 1.874 53.960 52.037 0.082 0.000 0.651 503 A CB -0.298 18.751 19.000 0.082 0.000 0.815 503 A HN 0.469 nan 8.150 nan 0.000 0.459 504 L N -0.990 120.290 121.223 0.096 0.000 2.728 504 L HA 0.212 4.552 4.340 -0.000 0.000 0.238 504 L C 0.263 177.240 176.870 0.180 0.000 1.143 504 L CA -0.371 54.527 54.840 0.098 0.000 0.937 504 L CB -0.621 41.462 42.059 0.040 0.000 1.225 504 L HN 0.320 nan 8.230 nan 0.000 0.507 505 c N -0.254 118.449 118.600 0.173 0.000 2.536 505 c HA 0.505 5.075 4.570 -0.000 0.000 0.396 505 c C 2.026 176.200 174.090 0.141 0.000 1.279 505 c CA -0.052 56.406 56.329 0.215 0.000 2.148 505 c CB 0.897 43.498 42.510 0.151 0.000 2.584 505 c HN 0.598 nan 8.230 nan 0.000 0.579 506 A N 2.362 125.212 122.820 0.051 0.000 1.911 506 A HA 0.522 4.841 4.320 -0.000 0.000 0.212 506 A C 1.326 178.856 177.584 -0.091 0.000 1.189 506 A CA 1.309 53.285 52.037 -0.101 0.000 0.639 506 A CB -0.950 17.785 19.000 -0.441 0.000 0.839 506 A HN 2.089 nan 8.150 nan 0.000 0.449 507 G N -0.073 108.674 108.800 -0.088 0.000 2.545 507 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.216 507 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.216 507 G C -0.374 174.472 174.900 -0.090 0.000 1.314 507 G CA 0.214 45.275 45.100 -0.064 0.000 0.906 507 G HN 0.855 nan 8.290 nan 0.000 0.563 508 D N -0.643 119.718 120.400 -0.065 0.000 2.399 508 D HA 0.454 5.094 4.640 -0.000 0.000 0.288 508 D C 0.847 177.109 176.300 -0.064 0.000 1.197 508 D CA 0.237 54.200 54.000 -0.062 0.000 1.081 508 D CB 0.058 40.835 40.800 -0.038 0.000 1.139 508 D HN 0.222 nan 8.370 nan 0.000 0.554 509 D N -1.465 118.909 120.400 -0.043 0.000 2.355 509 D HA -0.007 4.633 4.640 -0.000 0.000 0.218 509 D C 1.140 177.425 176.300 -0.025 0.000 1.004 509 D CA 0.510 54.489 54.000 -0.035 0.000 0.880 509 D CB 0.220 41.008 40.800 -0.020 0.000 0.911 509 D HN 0.389 nan 8.370 nan 0.000 0.528 510 Q N -1.009 118.776 119.800 -0.024 0.000 2.281 510 Q HA 0.262 4.602 4.340 -0.000 0.000 0.215 510 Q C 1.084 177.072 176.000 -0.020 0.000 0.867 510 Q CA 0.352 56.145 55.803 -0.017 0.000 0.940 510 Q CB 1.233 29.963 28.738 -0.015 0.000 1.111 510 Q HN 0.144 nan 8.270 nan 0.000 0.513 511 G N 1.436 110.218 108.800 -0.030 0.000 2.147 511 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 511 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 511 G C -0.068 174.817 174.900 -0.024 0.000 1.005 511 G CA 0.194 45.276 45.100 -0.030 0.000 0.713 511 G HN 0.231 nan 8.290 nan 0.000 0.515 512 L N -2.015 119.193 121.223 -0.025 0.000 2.387 512 L HA 0.818 5.158 4.340 -0.000 0.000 0.266 512 L C 0.684 177.538 176.870 -0.027 0.000 1.059 512 L CA -0.660 54.167 54.840 -0.021 0.000 0.801 512 L CB 0.810 42.857 42.059 -0.020 0.000 1.223 512 L HN 0.026 nan 8.230 nan 0.000 0.456 513 D N -0.197 120.188 120.400 -0.025 0.000 2.716 513 D HA -0.142 4.498 4.640 -0.000 0.000 0.239 513 D C -0.537 175.747 176.300 -0.026 0.000 1.125 513 D CA 0.850 54.833 54.000 -0.030 0.000 0.681 513 D CB -0.883 39.892 40.800 -0.040 0.000 1.070 513 D HN 0.536 nan 8.370 nan 0.000 0.432 514 K N -0.529 119.863 120.400 -0.014 0.000 2.368 514 K HA 0.346 4.666 4.320 -0.000 0.000 0.282 514 K C 0.947 177.552 176.600 0.010 0.000 1.035 514 K CA 0.059 56.346 56.287 -0.000 0.000 0.973 514 K CB 1.168 33.674 32.500 0.011 0.000 0.957 514 K HN 0.489 nan 8.250 nan 0.000 0.474 515 c N 2.098 120.715 118.600 0.028 0.000 4.617 515 c HA -0.161 4.409 4.570 -0.000 0.000 0.260 515 c C 0.532 174.629 174.090 0.012 0.000 1.288 515 c CA -0.008 56.347 56.329 0.043 0.000 1.668 515 c CB -2.032 40.502 42.510 0.040 0.000 1.518 515 c HN 0.677 nan 8.230 nan 0.000 0.708 516 V N 1.826 121.727 119.914 -0.023 0.000 2.715 516 V HA 0.342 4.462 4.120 -0.000 0.000 0.299 516 V C -1.705 174.296 176.094 -0.156 0.000 1.054 516 V CA -0.250 62.002 62.300 -0.080 0.000 1.077 516 V CB 1.494 33.261 31.823 -0.093 0.000 0.972 516 V HN 0.284 nan 8.190 nan 0.000 0.484 517 P HA 0.313 nan 4.420 nan 0.000 0.209 517 P C -1.389 175.332 177.300 -0.966 0.000 1.843 517 P CA -0.211 62.623 63.100 -0.443 0.000 0.985 517 P CB -0.242 31.385 31.700 -0.121 0.000 1.904 518 N N -2.573 115.448 118.700 -1.133 0.000 2.825 518 N HA 0.172 4.912 4.740 -0.000 0.000 0.253 518 N C 0.661 175.853 175.510 -0.530 0.000 1.426 518 N CA -0.855 51.675 53.050 -0.867 0.000 0.851 518 N CB 0.135 38.417 38.487 -0.342 0.000 1.470 518 N HN -0.211 nan 8.380 nan 0.000 0.517 519 S N -0.849 114.798 115.700 -0.087 0.000 2.493 519 S HA -0.296 4.173 4.470 -0.000 0.000 0.243 519 S C 1.279 175.917 174.600 0.063 0.000 0.991 519 S CA 1.312 59.598 58.200 0.142 0.000 0.957 519 S CB -0.596 62.695 63.200 0.151 0.000 0.756 519 S HN 0.774 nan 8.310 nan 0.000 0.521 520 K N 1.394 121.784 120.400 -0.016 0.000 2.366 520 K HA 0.017 4.337 4.320 -0.000 0.000 0.198 520 K C 0.635 177.216 176.600 -0.031 0.000 1.044 520 K CA 0.715 56.989 56.287 -0.021 0.000 0.973 520 K CB -0.137 32.344 32.500 -0.032 0.000 0.767 520 K HN 0.433 nan 8.250 nan 0.000 0.475 521 E N 2.442 122.627 120.200 -0.025 0.000 2.223 521 E HA 0.023 4.373 4.350 -0.000 0.000 0.282 521 E C 0.638 177.235 176.600 -0.005 0.000 1.046 521 E CA -0.203 56.190 56.400 -0.012 0.000 0.857 521 E CB 1.623 31.340 29.700 0.028 0.000 1.055 521 E HN 0.191 nan 8.360 nan 0.000 0.409 522 K N 3.505 123.806 120.400 -0.165 0.000 2.113 522 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 522 K C 0.134 176.556 176.600 -0.297 0.000 1.047 522 K CA 1.474 57.554 56.287 -0.345 0.000 0.928 522 K CB -0.070 32.036 32.500 -0.658 0.000 0.716 522 K HN 0.624 nan 8.250 nan 0.000 0.446 523 Y N -0.860 119.442 120.300 0.003 0.000 2.625 523 Y HA 0.146 4.695 4.550 -0.000 0.000 0.285 523 Y C -0.379 175.560 175.900 0.064 0.000 1.168 523 Y CA -1.150 56.944 58.100 -0.009 0.000 1.250 523 Y CB -0.590 37.858 38.460 -0.021 0.000 1.130 523 Y HN 0.033 nan 8.280 nan 0.000 0.526 524 Y N 1.037 121.404 120.300 0.112 0.000 2.309 524 Y HA 0.541 5.090 4.550 -0.000 0.000 0.327 524 Y C 0.887 176.848 175.900 0.103 0.000 1.172 524 Y CA 0.512 58.670 58.100 0.097 0.000 1.280 524 Y CB 0.427 38.923 38.460 0.061 0.000 1.234 524 Y HN 0.397 nan 8.280 nan 0.000 0.512 525 G N 3.701 111.967 108.800 -0.891 0.000 2.725 525 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.220 525 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.220 525 G C -0.244 174.530 174.900 -0.210 0.000 1.357 525 G CA 0.087 44.772 45.100 -0.691 0.000 0.866 525 G HN 0.690 nan 8.290 nan 0.000 0.548 526 Y N 0.095 120.348 120.300 -0.079 0.000 2.200 526 Y HA -0.017 4.533 4.550 -0.000 0.000 0.290 526 Y C 3.483 179.421 175.900 0.063 0.000 1.137 526 Y CA 2.431 60.525 58.100 -0.010 0.000 1.163 526 Y CB -0.876 37.558 38.460 -0.043 0.000 0.988 526 Y HN 0.582 nan 8.280 nan 0.000 0.518 527 T N -0.813 113.904 114.554 0.271 0.000 2.777 527 T HA -0.111 4.238 4.350 -0.000 0.000 0.266 527 T C 2.212 177.049 174.700 0.228 0.000 1.040 527 T CA 1.468 63.755 62.100 0.312 0.000 1.141 527 T CB -0.806 68.246 68.868 0.308 0.000 0.868 527 T HN 0.554 nan 8.240 nan 0.000 0.444 528 G N 0.592 109.472 108.800 0.134 0.000 2.421 528 G HA2 0.066 4.026 3.960 -0.000 0.000 0.217 528 G HA3 0.066 4.026 3.960 -0.000 0.000 0.217 528 G C 1.739 176.705 174.900 0.110 0.000 1.143 528 G CA 0.787 45.948 45.100 0.102 0.000 0.784 528 G HN 0.551 nan 8.290 nan 0.000 0.541 529 A N 0.178 123.058 122.820 0.100 0.000 1.968 529 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 529 A C 2.057 179.671 177.584 0.050 0.000 1.169 529 A CA 1.144 53.214 52.037 0.054 0.000 0.638 529 A CB -0.410 18.642 19.000 0.087 0.000 0.812 529 A HN 0.340 nan 8.150 nan 0.000 0.446 530 F N 0.794 120.724 119.950 -0.033 0.000 2.206 530 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 530 F C 2.231 178.002 175.800 -0.048 0.000 1.090 530 F CA 1.443 59.425 58.000 -0.028 0.000 1.323 530 F CB -0.300 38.735 39.000 0.058 0.000 1.028 530 F HN 0.255 nan 8.300 nan 0.000 0.492 531 R N -0.399 119.976 120.500 -0.208 0.000 2.096 531 R HA -0.203 4.136 4.340 -0.000 0.000 0.235 531 R C 2.538 178.591 176.300 -0.412 0.000 1.127 531 R CA 1.763 57.493 56.100 -0.616 0.000 0.968 531 R CB -1.247 28.380 30.300 -1.122 0.000 0.861 531 R HN 0.506 nan 8.270 nan 0.000 0.440 532 c N 0.115 118.417 118.600 -0.498 0.000 2.440 532 c HA 0.000 4.570 4.570 -0.000 0.000 0.278 532 c C 2.419 176.243 174.090 -0.443 0.000 1.295 532 c CA 0.669 56.498 56.329 -0.833 0.000 1.738 532 c CB -1.009 41.013 42.510 -0.814 0.000 1.987 532 c HN 0.696 nan 8.230 nan 0.000 0.492 533 L N 1.663 122.704 121.223 -0.303 0.000 2.095 533 L HA 0.234 4.573 4.340 -0.000 0.000 0.204 533 L C 2.639 179.424 176.870 -0.143 0.000 1.080 533 L CA 2.181 56.903 54.840 -0.197 0.000 0.759 533 L CB -0.754 41.226 42.059 -0.132 0.000 0.914 533 L HN 0.301 nan 8.230 nan 0.000 0.439 534 A N -0.853 121.837 122.820 -0.216 0.000 1.972 534 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 534 A C 2.049 179.621 177.584 -0.020 0.000 1.169 534 A CA 1.698 53.687 52.037 -0.080 0.000 0.635 534 A CB -0.507 18.430 19.000 -0.105 0.000 0.810 534 A HN 0.600 nan 8.150 nan 0.000 0.446 535 E N -0.091 120.067 120.200 -0.070 0.000 2.465 535 E HA 0.036 4.386 4.350 -0.000 0.000 0.191 535 E C -0.666 175.902 176.600 -0.055 0.000 1.053 535 E CA 0.160 56.542 56.400 -0.030 0.000 0.869 535 E CB 0.064 29.760 29.700 -0.006 0.000 0.977 535 E HN 0.498 nan 8.360 nan 0.000 0.483 536 D N -0.311 120.038 120.400 -0.084 0.000 2.870 536 D HA -0.166 4.474 4.640 -0.000 0.000 0.228 536 D C 0.915 177.163 176.300 -0.088 0.000 1.147 536 D CA 0.459 54.412 54.000 -0.078 0.000 0.757 536 D CB -1.437 39.332 40.800 -0.051 0.000 1.091 536 D HN 0.163 nan 8.370 nan 0.000 0.429 537 V N -0.780 119.046 119.914 -0.146 0.000 2.788 537 V HA 0.138 4.258 4.120 -0.000 0.000 0.251 537 V C 1.642 177.652 176.094 -0.140 0.000 1.068 537 V CA 1.654 63.867 62.300 -0.146 0.000 1.090 537 V CB 0.527 32.191 31.823 -0.266 0.000 0.710 537 V HN 0.408 nan 8.190 nan 0.000 0.467 538 G N -1.209 107.488 108.800 -0.171 0.000 2.605 538 G HA2 0.454 4.414 3.960 -0.000 0.000 0.296 538 G HA3 0.454 4.414 3.960 -0.000 0.000 0.296 538 G C -0.531 174.299 174.900 -0.116 0.000 1.304 538 G CA -0.225 44.789 45.100 -0.144 0.000 0.941 538 G HN 0.024 nan 8.290 nan 0.000 0.475 539 D N -1.035 119.312 120.400 -0.088 0.000 2.305 539 D HA 0.071 4.711 4.640 -0.000 0.000 0.206 539 D C 0.533 176.782 176.300 -0.085 0.000 0.974 539 D CA 0.732 54.698 54.000 -0.057 0.000 0.871 539 D CB 1.389 42.185 40.800 -0.006 0.000 0.947 539 D HN 0.156 nan 8.370 nan 0.000 0.516 540 V N -0.159 119.649 119.914 -0.177 0.000 2.971 540 V HA 0.685 4.805 4.120 -0.000 0.000 0.309 540 V C -1.792 174.023 176.094 -0.465 0.000 1.130 540 V CA -0.833 61.284 62.300 -0.306 0.000 0.964 540 V CB 2.146 33.756 31.823 -0.355 0.000 1.029 540 V HN 0.029 nan 8.190 nan 0.000 0.427 541 A N 5.327 127.880 122.820 -0.444 0.000 2.343 541 A HA 0.864 5.183 4.320 -0.000 0.000 0.308 541 A C -1.381 175.988 177.584 -0.357 0.000 1.092 541 A CA -0.346 51.498 52.037 -0.323 0.000 0.751 541 A CB 0.960 19.925 19.000 -0.058 0.000 1.203 541 A HN 0.730 nan 8.150 nan 0.000 0.452 542 F N 3.097 123.055 119.950 0.013 0.000 2.303 542 F HA 0.484 5.011 4.527 -0.000 0.000 0.368 542 F C 0.666 176.555 175.800 0.149 0.000 1.105 542 F CA -0.219 57.844 58.000 0.105 0.000 1.153 542 F CB 1.219 40.294 39.000 0.126 0.000 1.362 542 F HN 0.529 nan 8.300 nan 0.000 0.511 543 V N -0.208 119.878 119.914 0.285 0.000 3.149 543 V HA 0.658 4.777 4.120 -0.000 0.000 0.310 543 V C -0.657 175.576 176.094 0.231 0.000 1.353 543 V CA -1.355 61.118 62.300 0.288 0.000 1.040 543 V CB 1.756 33.688 31.823 0.181 0.000 1.136 543 V HN 0.430 nan 8.190 nan 0.000 0.477 544 K N -0.304 120.154 120.400 0.097 0.000 2.211 544 K HA 0.477 4.797 4.320 -0.000 0.000 0.237 544 K C 0.666 177.225 176.600 -0.069 0.000 1.002 544 K CA 0.035 56.326 56.287 0.007 0.000 0.885 544 K CB 1.543 33.925 32.500 -0.196 0.000 1.136 544 K HN 0.661 nan 8.250 nan 0.000 0.448 545 N N 0.838 119.528 118.700 -0.017 0.000 2.069 545 N HA -0.236 4.503 4.740 -0.000 0.000 0.191 545 N C 0.607 176.161 175.510 0.073 0.000 1.031 545 N CA 2.441 55.516 53.050 0.042 0.000 0.852 545 N CB -0.241 38.288 38.487 0.069 0.000 1.018 545 N HN 0.685 nan 8.380 nan 0.000 0.423 546 D N -1.301 119.060 120.400 -0.064 0.000 2.221 546 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 546 D C 1.630 177.857 176.300 -0.123 0.000 0.982 546 D CA 1.540 55.486 54.000 -0.089 0.000 0.857 546 D CB -0.508 40.159 40.800 -0.223 0.000 0.934 546 D HN 0.352 nan 8.370 nan 0.000 0.475 547 T N -0.074 114.322 114.554 -0.265 0.000 2.821 547 T HA -0.094 4.255 4.350 -0.000 0.000 0.267 547 T C 2.179 176.497 174.700 -0.636 0.000 1.046 547 T CA 0.755 62.631 62.100 -0.373 0.000 1.139 547 T CB -0.297 68.347 68.868 -0.372 0.000 0.871 547 T HN 0.045 nan 8.240 nan 0.000 0.454 548 V N -0.444 119.062 119.914 -0.679 0.000 2.427 548 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 548 V C 2.064 177.842 176.094 -0.528 0.000 1.051 548 V CA 1.150 62.912 62.300 -0.897 0.000 1.048 548 V CB -0.804 30.643 31.823 -0.628 0.000 0.666 548 V HN 0.550 nan 8.190 nan 0.000 0.456 549 W N 0.523 121.647 121.300 -0.292 0.000 2.418 549 W HA -0.023 4.637 4.660 -0.000 0.000 0.292 549 W C 2.455 178.884 176.519 -0.149 0.000 1.213 549 W CA 1.023 58.266 57.345 -0.170 0.000 1.283 549 W CB -0.130 29.244 29.460 -0.142 0.000 1.119 549 W HN 0.209 nan 8.180 nan 0.000 0.542 550 E N -0.455 119.775 120.200 0.051 0.000 2.427 550 E HA -0.057 4.293 4.350 -0.000 0.000 0.196 550 E C 1.028 177.607 176.600 -0.035 0.000 1.028 550 E CA 0.521 56.922 56.400 0.001 0.000 0.864 550 E CB -0.113 29.566 29.700 -0.035 0.000 0.813 550 E HN 0.269 nan 8.360 nan 0.000 0.514 551 N N 0.606 119.263 118.700 -0.072 0.000 2.235 551 N HA 0.032 4.772 4.740 -0.000 0.000 0.231 551 N C -0.369 175.174 175.510 0.055 0.000 1.177 551 N CA 0.289 53.336 53.050 -0.005 0.000 0.874 551 N CB 1.300 39.887 38.487 0.166 0.000 1.097 551 N HN 0.075 nan 8.380 nan 0.000 0.518 552 T N -2.477 112.083 114.554 0.010 0.000 2.887 552 T HA 0.348 4.698 4.350 -0.000 0.000 0.292 552 T C -0.003 174.700 174.700 0.005 0.000 1.087 552 T CA -0.584 61.539 62.100 0.037 0.000 1.009 552 T CB 1.574 70.463 68.868 0.034 0.000 1.203 552 T HN -0.048 nan 8.240 nan 0.000 0.518 553 N N 0.215 118.923 118.700 0.013 0.000 2.727 553 N HA -0.139 4.601 4.740 -0.000 0.000 0.249 553 N C 1.077 176.592 175.510 0.009 0.000 1.048 553 N CA 1.845 54.902 53.050 0.010 0.000 0.714 553 N CB -1.636 36.857 38.487 0.010 0.000 0.959 553 N HN 1.771 nan 8.380 nan 0.000 0.544 554 G N -1.666 107.129 108.800 -0.008 0.000 2.162 554 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.260 554 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.260 554 G C 0.795 175.685 174.900 -0.016 0.000 0.976 554 G CA 0.788 45.879 45.100 -0.016 0.000 0.655 554 G HN 0.486 nan 8.290 nan 0.000 0.533 555 E N 0.501 120.693 120.200 -0.012 0.000 2.076 555 E HA 0.187 4.536 4.350 -0.000 0.000 0.190 555 E C 1.685 178.263 176.600 -0.035 0.000 0.979 555 E CA 1.115 57.510 56.400 -0.008 0.000 0.807 555 E CB 0.008 29.718 29.700 0.017 0.000 0.761 555 E HN 0.511 nan 8.360 nan 0.000 0.454 556 S N -1.207 114.451 115.700 -0.071 0.000 2.525 556 S HA 0.192 4.662 4.470 -0.000 0.000 0.278 556 S C 0.670 175.193 174.600 -0.129 0.000 1.234 556 S CA -0.124 58.006 58.200 -0.117 0.000 1.058 556 S CB 1.346 64.416 63.200 -0.217 0.000 0.983 556 S HN 0.121 nan 8.310 nan 0.000 0.495 557 T N 3.298 117.789 114.554 -0.106 0.000 3.069 557 T HA 0.410 4.760 4.350 -0.000 0.000 0.252 557 T C 0.531 175.166 174.700 -0.108 0.000 1.053 557 T CA 0.252 62.300 62.100 -0.086 0.000 0.964 557 T CB -0.542 68.300 68.868 -0.043 0.000 1.005 557 T HN 0.798 nan 8.240 nan 0.000 0.532 558 A N 2.016 124.726 122.820 -0.184 0.000 2.488 558 A HA 0.285 4.605 4.320 -0.000 0.000 0.249 558 A C 1.508 178.927 177.584 -0.275 0.000 1.083 558 A CA -0.022 51.888 52.037 -0.212 0.000 0.768 558 A CB 0.202 19.004 19.000 -0.331 0.000 1.017 558 A HN 0.595 nan 8.150 nan 0.000 0.496 559 D N 2.695 123.043 120.400 -0.088 0.000 2.221 559 D HA -0.239 4.401 4.640 -0.000 0.000 0.204 559 D C 1.499 177.811 176.300 0.020 0.000 0.982 559 D CA 1.871 55.860 54.000 -0.018 0.000 0.857 559 D CB -0.387 40.442 40.800 0.048 0.000 0.934 559 D HN 0.871 nan 8.370 nan 0.000 0.475 560 W N 0.765 122.094 121.300 0.048 0.000 2.476 560 W HA 0.384 5.043 4.660 -0.000 0.000 0.281 560 W C 1.340 177.889 176.519 0.050 0.000 1.230 560 W CA 0.679 58.053 57.345 0.047 0.000 1.287 560 W CB -0.588 28.907 29.460 0.058 0.000 1.108 560 W HN 0.097 nan 8.180 nan 0.000 0.567 561 A N 0.700 123.039 122.820 -0.802 0.000 2.390 561 A HA 0.112 4.431 4.320 -0.000 0.000 0.232 561 A C 2.000 179.390 177.584 -0.323 0.000 1.233 561 A CA 0.033 51.648 52.037 -0.704 0.000 0.907 561 A CB -0.384 17.778 19.000 -1.397 0.000 0.967 561 A HN 0.201 nan 8.150 nan 0.000 0.512 562 K N 0.261 120.516 120.400 -0.242 0.000 2.148 562 K HA -0.035 4.284 4.320 -0.000 0.000 0.204 562 K C 0.326 176.890 176.600 -0.061 0.000 1.050 562 K CA 0.904 57.114 56.287 -0.129 0.000 0.942 562 K CB -0.014 32.428 32.500 -0.096 0.000 0.724 562 K HN 0.337 nan 8.250 nan 0.000 0.446 563 N N 1.108 119.787 118.700 -0.036 0.000 2.451 563 N HA 0.107 4.846 4.740 -0.000 0.000 0.264 563 N C -1.103 174.415 175.510 0.013 0.000 1.167 563 N CA 0.063 53.109 53.050 -0.007 0.000 0.898 563 N CB 0.408 38.896 38.487 0.002 0.000 1.176 563 N HN 0.109 nan 8.380 nan 0.000 0.507 564 L N 1.071 122.311 121.223 0.029 0.000 2.265 564 L HA 0.331 4.670 4.340 -0.000 0.000 0.289 564 L C 0.050 176.982 176.870 0.103 0.000 1.033 564 L CA -0.539 54.363 54.840 0.103 0.000 0.814 564 L CB 0.921 43.097 42.059 0.195 0.000 1.203 564 L HN -0.089 nan 8.230 nan 0.000 0.423 565 N N 3.318 122.061 118.700 0.071 0.000 2.434 565 N HA 0.113 4.852 4.740 -0.000 0.000 0.272 565 N C 0.877 176.452 175.510 0.109 0.000 1.040 565 N CA -0.252 52.825 53.050 0.044 0.000 0.956 565 N CB 1.977 40.458 38.487 -0.011 0.000 1.108 565 N HN 0.560 nan 8.380 nan 0.000 0.481 566 R N 2.015 122.567 120.500 0.087 0.000 2.285 566 R HA -0.018 4.322 4.340 -0.000 0.000 0.213 566 R C 0.359 176.707 176.300 0.080 0.000 1.068 566 R CA 1.105 57.267 56.100 0.104 0.000 1.004 566 R CB 0.250 30.459 30.300 -0.153 0.000 0.873 566 R HN 0.456 nan 8.270 nan 0.000 0.467 567 E N 0.760 120.966 120.200 0.011 0.000 2.489 567 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 567 E C -0.059 176.499 176.600 -0.069 0.000 1.057 567 E CA 0.204 56.592 56.400 -0.020 0.000 0.866 567 E CB 0.336 30.020 29.700 -0.028 0.000 0.916 567 E HN 0.400 nan 8.360 nan 0.000 0.500 568 D N -0.578 119.728 120.400 -0.157 0.000 2.349 568 D HA 0.062 4.702 4.640 -0.000 0.000 0.214 568 D C -0.215 175.737 176.300 -0.580 0.000 1.063 568 D CA 0.235 54.006 54.000 -0.382 0.000 0.847 568 D CB 0.185 40.673 40.800 -0.519 0.000 0.933 568 D HN 0.035 nan 8.370 nan 0.000 0.513 569 F N 0.304 120.242 119.950 -0.019 0.000 2.577 569 F HA 0.502 5.029 4.527 -0.000 0.000 0.318 569 F C 0.805 176.600 175.800 -0.009 0.000 1.065 569 F CA -0.986 57.013 58.000 -0.001 0.000 0.929 569 F CB 1.724 40.748 39.000 0.041 0.000 1.237 569 F HN -0.499 nan 8.300 nan 0.000 0.468 570 R N 1.131 121.761 120.500 0.216 0.000 2.905 570 R HA 0.682 5.022 4.340 -0.000 0.000 0.260 570 R C -1.587 174.786 176.300 0.122 0.000 1.086 570 R CA -1.084 55.091 56.100 0.125 0.000 0.978 570 R CB 2.026 32.375 30.300 0.081 0.000 1.215 570 R HN 0.627 nan 8.270 nan 0.000 0.480 571 L N 2.096 123.376 121.223 0.095 0.000 2.356 571 L HA 0.494 4.834 4.340 -0.000 0.000 0.277 571 L C -0.278 176.650 176.870 0.097 0.000 0.996 571 L CA -0.742 54.154 54.840 0.094 0.000 0.822 571 L CB 1.675 43.785 42.059 0.084 0.000 1.256 571 L HN 0.245 nan 8.230 nan 0.000 0.413 572 L N 2.704 124.002 121.223 0.125 0.000 2.331 572 L HA 0.339 4.679 4.340 -0.000 0.000 0.278 572 L C -0.305 176.628 176.870 0.104 0.000 1.106 572 L CA -0.342 54.596 54.840 0.163 0.000 0.824 572 L CB 1.126 43.356 42.059 0.285 0.000 1.142 572 L HN 0.676 nan 8.230 nan 0.000 0.443 573 c N 3.117 121.754 118.600 0.061 0.000 2.349 573 c HA 0.312 4.881 4.570 -0.000 0.000 0.361 573 c C 1.711 175.727 174.090 -0.124 0.000 1.189 573 c CA -0.828 55.473 56.329 -0.048 0.000 2.155 573 c CB 1.344 43.830 42.510 -0.040 0.000 2.336 573 c HN 0.785 nan 8.230 nan 0.000 0.540 574 L N 1.543 122.590 121.223 -0.293 0.000 2.610 574 L HA -0.024 4.316 4.340 -0.000 0.000 0.232 574 L C 1.480 178.240 176.870 -0.184 0.000 1.149 574 L CA 0.973 55.542 54.840 -0.453 0.000 0.872 574 L CB -0.408 41.350 42.059 -0.503 0.000 0.992 574 L HN 0.820 nan 8.230 nan 0.000 0.447 575 D N -1.220 119.132 120.400 -0.081 0.000 2.363 575 D HA 0.066 4.706 4.640 -0.000 0.000 0.214 575 D C 1.318 177.644 176.300 0.043 0.000 1.093 575 D CA 0.572 54.562 54.000 -0.017 0.000 0.837 575 D CB 0.462 41.245 40.800 -0.030 0.000 0.948 575 D HN 0.133 nan 8.370 nan 0.000 0.507 576 G N 0.389 109.244 108.800 0.092 0.000 2.157 576 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.248 576 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.248 576 G C 0.402 175.360 174.900 0.097 0.000 0.979 576 G CA 0.567 45.746 45.100 0.131 0.000 0.650 576 G HN 0.824 nan 8.290 nan 0.000 0.529 577 T N -2.298 112.298 114.554 0.071 0.000 2.949 577 T HA 0.814 5.164 4.350 -0.000 0.000 0.287 577 T C 0.103 174.843 174.700 0.066 0.000 1.034 577 T CA -0.691 61.444 62.100 0.057 0.000 1.018 577 T CB 2.247 71.135 68.868 0.033 0.000 1.135 577 T HN 0.436 nan 8.240 nan 0.000 0.532 578 R N 0.355 120.890 120.500 0.059 0.000 2.720 578 R HA 0.768 5.108 4.340 -0.000 0.000 0.272 578 R C -0.348 175.981 176.300 0.049 0.000 0.991 578 R CA -0.964 55.174 56.100 0.063 0.000 1.010 578 R CB 1.612 31.948 30.300 0.060 0.000 1.141 578 R HN 0.597 nan 8.270 nan 0.000 0.494 579 K N 0.866 121.298 120.400 0.053 0.000 2.533 579 K HA 0.457 4.777 4.320 -0.000 0.000 0.272 579 K C -2.788 173.844 176.600 0.054 0.000 0.985 579 K CA -1.978 54.338 56.287 0.048 0.000 0.876 579 K CB 2.543 35.070 32.500 0.045 0.000 1.452 579 K HN 0.285 nan 8.250 nan 0.000 0.439 580 P HA 0.039 nan 4.420 nan 0.000 0.281 580 P C 0.678 178.010 177.300 0.053 0.000 1.264 580 P CA -0.644 62.483 63.100 0.045 0.000 0.824 580 P CB 0.670 32.391 31.700 0.035 0.000 1.092 581 V N -1.268 118.657 119.914 0.018 0.000 3.186 581 V HA -0.143 3.977 4.120 -0.000 0.000 0.270 581 V C 1.296 177.479 176.094 0.148 0.000 1.149 581 V CA 2.316 64.613 62.300 -0.005 0.000 1.160 581 V CB -2.163 29.533 31.823 -0.211 0.000 0.758 581 V HN 0.645 nan 8.190 nan 0.000 0.516 582 T N -1.822 112.833 114.554 0.169 0.000 3.067 582 T HA 0.136 4.486 4.350 -0.000 0.000 0.261 582 T C 0.837 175.658 174.700 0.203 0.000 1.110 582 T CA 0.794 63.071 62.100 0.294 0.000 1.113 582 T CB -0.291 68.699 68.868 0.203 0.000 0.917 582 T HN 0.659 nan 8.240 nan 0.000 0.499 583 E N 0.667 120.955 120.200 0.145 0.000 3.312 583 E HA 0.606 4.955 4.350 -0.000 0.000 0.215 583 E C 1.022 177.693 176.600 0.117 0.000 1.160 583 E CA -0.352 56.113 56.400 0.109 0.000 1.267 583 E CB 0.654 30.398 29.700 0.074 0.000 1.361 583 E HN 0.435 nan 8.360 nan 0.000 0.433 584 A N 0.675 123.585 122.820 0.151 0.000 2.016 584 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 584 A C 2.069 179.799 177.584 0.244 0.000 1.162 584 A CA 0.825 52.965 52.037 0.172 0.000 0.662 584 A CB 0.037 19.137 19.000 0.166 0.000 0.812 584 A HN 0.262 nan 8.150 nan 0.000 0.450 585 Q N 0.860 120.763 119.800 0.172 0.000 2.224 585 Q HA -0.097 4.243 4.340 -0.000 0.000 0.203 585 Q C 1.824 177.939 176.000 0.192 0.000 0.970 585 Q CA 2.021 57.938 55.803 0.189 0.000 0.865 585 Q CB -0.281 28.503 28.738 0.077 0.000 0.922 585 Q HN 0.680 nan 8.270 nan 0.000 0.445 586 S N -2.850 112.904 115.700 0.092 0.000 2.539 586 S HA 0.196 4.666 4.470 -0.000 0.000 0.221 586 S C 0.474 175.032 174.600 -0.070 0.000 0.987 586 S CA -0.121 58.075 58.200 -0.006 0.000 0.929 586 S CB 0.174 63.377 63.200 0.004 0.000 0.832 586 S HN 0.306 nan 8.310 nan 0.000 0.492 587 c N 4.368 122.951 118.600 -0.029 0.000 3.493 587 c HA 0.541 5.111 4.570 -0.000 0.000 0.228 587 c C -0.486 173.599 174.090 -0.008 0.000 1.227 587 c CA -0.510 55.782 56.329 -0.060 0.000 1.291 587 c CB -1.093 41.419 42.510 0.003 0.000 1.820 587 c HN 0.727 nan 8.230 nan 0.000 0.547 588 H N 0.971 120.018 119.070 -0.040 0.000 2.907 588 H HA 0.469 5.025 4.556 -0.000 0.000 0.361 588 H C -0.020 175.254 175.328 -0.090 0.000 1.194 588 H CA -0.852 55.173 56.048 -0.038 0.000 1.152 588 H CB 0.940 30.689 29.762 -0.021 0.000 1.867 588 H HN 0.280 nan 8.280 nan 0.000 0.561 589 L N -0.189 121.084 121.223 0.083 0.000 2.127 589 L HA 0.328 4.668 4.340 -0.000 0.000 0.203 589 L C 0.953 177.825 176.870 0.003 0.000 1.080 589 L CA 1.215 56.024 54.840 -0.051 0.000 0.768 589 L CB -0.065 41.977 42.059 -0.028 0.000 0.924 589 L HN 0.809 nan 8.230 nan 0.000 0.444 590 A N -1.180 121.709 122.820 0.117 0.000 2.540 590 A HA 0.567 4.886 4.320 -0.000 0.000 0.291 590 A C -1.517 176.044 177.584 -0.040 0.000 1.083 590 A CA -0.465 51.599 52.037 0.044 0.000 0.650 590 A CB 1.062 20.009 19.000 -0.089 0.000 1.292 590 A HN -0.231 nan 8.150 nan 0.000 0.435 591 V N 0.729 120.554 119.914 -0.149 0.000 2.435 591 V HA 0.692 4.812 4.120 -0.000 0.000 0.290 591 V C 0.649 176.505 176.094 -0.396 0.000 1.030 591 V CA 0.115 62.250 62.300 -0.275 0.000 0.881 591 V CB 1.098 32.780 31.823 -0.236 0.000 0.983 591 V HN 1.541 nan 8.190 nan 0.000 0.445 592 A N 7.513 129.973 122.820 -0.601 0.000 2.306 592 A HA 0.950 5.270 4.320 -0.000 0.000 0.330 592 A C -2.644 174.503 177.584 -0.728 0.000 1.146 592 A CA -1.895 49.650 52.037 -0.820 0.000 0.827 592 A CB 1.177 19.453 19.000 -1.207 0.000 1.178 592 A HN 0.617 nan 8.150 nan 0.000 0.490 593 P HA 0.226 nan 4.420 nan 0.000 0.281 593 P C -0.845 176.458 177.300 0.004 0.000 1.249 593 P CA -0.438 62.513 63.100 -0.249 0.000 0.810 593 P CB 0.536 32.094 31.700 -0.237 0.000 1.008 594 N N -0.154 118.669 118.700 0.206 0.000 2.415 594 N HA 0.044 4.784 4.740 -0.000 0.000 0.248 594 N C 0.313 176.228 175.510 0.676 0.000 1.271 594 N CA 0.037 53.380 53.050 0.490 0.000 0.913 594 N CB -0.293 38.400 38.487 0.343 0.000 1.129 594 N HN 0.433 nan 8.380 nan 0.000 0.444 595 H N -0.304 119.040 119.070 0.457 0.000 2.848 595 H HA 0.399 4.955 4.556 -0.000 0.000 0.341 595 H C -0.298 175.226 175.328 0.326 0.000 1.060 595 H CA -0.515 55.770 56.048 0.395 0.000 1.444 595 H CB 0.601 30.571 29.762 0.346 0.000 1.446 595 H HN 0.558 nan 8.280 nan 0.000 0.583 596 A N 3.146 126.164 122.820 0.329 0.000 2.479 596 A HA 0.460 4.780 4.320 -0.000 0.000 0.296 596 A C -0.750 176.940 177.584 0.177 0.000 1.121 596 A CA -0.710 51.430 52.037 0.172 0.000 0.743 596 A CB 1.362 20.253 19.000 -0.181 0.000 1.323 596 A HN 0.464 nan 8.150 nan 0.000 0.415 597 V N 1.660 121.689 119.914 0.190 0.000 2.461 597 V HA 0.438 4.558 4.120 -0.000 0.000 0.275 597 V C 0.458 176.593 176.094 0.068 0.000 1.047 597 V CA -0.037 62.387 62.300 0.206 0.000 0.955 597 V CB 0.783 32.815 31.823 0.349 0.000 0.988 597 V HN 1.011 nan 8.190 nan 0.000 0.471 598 V N 2.952 122.869 119.914 0.005 0.000 2.975 598 V HA 1.009 5.129 4.120 -0.000 0.000 0.318 598 V C -0.189 175.878 176.094 -0.045 0.000 1.077 598 V CA -0.145 62.142 62.300 -0.021 0.000 1.000 598 V CB 2.024 33.830 31.823 -0.028 0.000 1.066 598 V HN 0.860 nan 8.190 nan 0.000 0.452 599 S N 0.753 116.439 115.700 -0.025 0.000 2.661 599 S HA 0.552 5.022 4.470 -0.000 0.000 0.268 599 S C -0.958 173.638 174.600 -0.007 0.000 1.162 599 S CA -0.990 57.197 58.200 -0.021 0.000 0.817 599 S CB 1.783 64.994 63.200 0.019 0.000 1.141 599 S HN 0.965 nan 8.310 nan 0.000 0.477 600 R N 0.892 121.394 120.500 0.003 0.000 2.500 600 R HA 0.399 4.739 4.340 -0.000 0.000 0.275 600 R C 1.151 177.467 176.300 0.027 0.000 1.051 600 R CA -0.223 55.883 56.100 0.010 0.000 1.088 600 R CB 0.710 31.018 30.300 0.014 0.000 1.063 600 R HN 0.630 nan 8.270 nan 0.000 0.511 601 S N 1.431 117.146 115.700 0.024 0.000 2.392 601 S HA -0.174 4.295 4.470 -0.000 0.000 0.232 601 S C 1.101 175.721 174.600 0.033 0.000 1.041 601 S CA 1.945 60.163 58.200 0.029 0.000 1.026 601 S CB -0.169 63.045 63.200 0.023 0.000 0.845 601 S HN 0.713 nan 8.310 nan 0.000 0.465 602 D N -0.496 119.923 120.400 0.032 0.000 2.348 602 D HA 0.017 4.657 4.640 -0.000 0.000 0.211 602 D C 1.568 177.899 176.300 0.052 0.000 0.998 602 D CA 0.214 54.232 54.000 0.030 0.000 0.873 602 D CB 0.008 40.820 40.800 0.020 0.000 0.925 602 D HN 0.201 nan 8.370 nan 0.000 0.524 603 R N 0.541 121.084 120.500 0.072 0.000 2.254 603 R HA 0.305 4.644 4.340 -0.000 0.000 0.193 603 R C 2.194 178.572 176.300 0.130 0.000 0.929 603 R CA 0.675 56.844 56.100 0.114 0.000 1.038 603 R CB -0.491 29.874 30.300 0.109 0.000 1.009 603 R HN 0.166 nan 8.270 nan 0.000 0.512 604 A N 1.583 124.458 122.820 0.091 0.000 1.915 604 A HA -0.243 4.076 4.320 -0.000 0.000 0.220 604 A C 2.288 179.931 177.584 0.098 0.000 1.198 604 A CA 2.398 54.486 52.037 0.085 0.000 0.647 604 A CB -0.636 18.402 19.000 0.064 0.000 0.825 604 A HN 0.317 nan 8.150 nan 0.000 0.456 605 A N -1.745 121.136 122.820 0.101 0.000 1.930 605 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 605 A C 2.042 179.709 177.584 0.138 0.000 1.175 605 A CA 2.041 54.139 52.037 0.103 0.000 0.627 605 A CB -0.742 18.309 19.000 0.086 0.000 0.815 605 A HN 0.778 nan 8.150 nan 0.000 0.443 606 H N -0.359 118.746 119.070 0.058 0.000 2.363 606 H HA -0.013 4.543 4.556 -0.000 0.000 0.301 606 H C 1.815 177.197 175.328 0.089 0.000 1.074 606 H CA 1.816 57.902 56.048 0.063 0.000 1.354 606 H CB -0.258 29.538 29.762 0.057 0.000 1.397 606 H HN 0.100 nan 8.280 nan 0.000 0.516 607 V N 1.046 120.980 119.914 0.032 0.000 2.343 607 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 607 V C 2.559 178.697 176.094 0.072 0.000 1.051 607 V CA 2.195 64.510 62.300 0.026 0.000 1.036 607 V CB -0.544 31.353 31.823 0.123 0.000 0.654 607 V HN 0.454 nan 8.190 nan 0.000 0.451 608 K N -0.013 120.440 120.400 0.088 0.000 2.002 608 K HA -0.268 4.051 4.320 -0.000 0.000 0.209 608 K C 2.327 178.979 176.600 0.086 0.000 1.048 608 K CA 1.978 58.326 56.287 0.102 0.000 0.930 608 K CB -0.295 32.261 32.500 0.093 0.000 0.714 608 K HN 0.496 nan 8.250 nan 0.000 0.438 609 Q N 0.611 120.446 119.800 0.058 0.000 2.096 609 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 609 Q C 1.991 178.029 176.000 0.063 0.000 0.982 609 Q CA 1.847 57.688 55.803 0.063 0.000 0.850 609 Q CB 0.012 28.791 28.738 0.067 0.000 0.901 609 Q HN 0.281 nan 8.270 nan 0.000 0.422 610 V N 1.178 121.074 119.914 -0.030 0.000 2.358 610 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 610 V C 2.421 178.585 176.094 0.118 0.000 1.047 610 V CA 1.249 63.528 62.300 -0.036 0.000 1.035 610 V CB -0.395 31.290 31.823 -0.230 0.000 0.658 610 V HN 0.387 nan 8.190 nan 0.000 0.452 611 L N -0.860 120.454 121.223 0.151 0.000 2.201 611 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 611 L C 2.274 179.255 176.870 0.186 0.000 1.105 611 L CA 1.184 56.159 54.840 0.225 0.000 0.775 611 L CB -0.284 41.934 42.059 0.265 0.000 0.913 611 L HN 0.345 nan 8.230 nan 0.000 0.440 612 L N -1.219 120.097 121.223 0.155 0.000 2.109 612 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 612 L C 2.683 179.632 176.870 0.131 0.000 1.086 612 L CA 0.895 55.808 54.840 0.123 0.000 0.760 612 L CB -0.766 41.352 42.059 0.099 0.000 0.910 612 L HN 0.377 nan 8.230 nan 0.000 0.437 613 H N 0.264 119.374 119.070 0.065 0.000 2.357 613 H HA -0.136 4.420 4.556 -0.000 0.000 0.301 613 H C 2.118 177.496 175.328 0.082 0.000 1.082 613 H CA 1.370 57.453 56.048 0.057 0.000 1.342 613 H CB 0.382 30.178 29.762 0.057 0.000 1.389 613 H HN 0.293 nan 8.280 nan 0.000 0.511 614 Q N 0.586 120.602 119.800 0.359 0.000 2.172 614 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 614 Q C 2.341 178.495 176.000 0.256 0.000 0.964 614 Q CA 0.949 57.005 55.803 0.422 0.000 0.855 614 Q CB -0.321 28.741 28.738 0.541 0.000 0.918 614 Q HN 0.631 nan 8.270 nan 0.000 0.444 615 Q N -0.120 119.756 119.800 0.128 0.000 2.167 615 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 615 Q C 1.742 177.737 176.000 -0.009 0.000 0.970 615 Q CA 1.265 57.089 55.803 0.034 0.000 0.855 615 Q CB 0.032 28.813 28.738 0.072 0.000 0.911 615 Q HN 0.339 nan 8.270 nan 0.000 0.438 616 A N 0.153 122.951 122.820 -0.036 0.000 2.014 616 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 616 A C 1.857 179.333 177.584 -0.180 0.000 1.163 616 A CA 0.766 52.743 52.037 -0.100 0.000 0.652 616 A CB -0.270 18.652 19.000 -0.131 0.000 0.808 616 A HN 0.416 nan 8.150 nan 0.000 0.449 617 L N -2.813 118.251 121.223 -0.266 0.000 2.168 617 L HA 0.098 4.437 4.340 -0.000 0.000 0.203 617 L C 1.344 177.795 176.870 -0.698 0.000 1.078 617 L CA 0.877 55.364 54.840 -0.588 0.000 0.780 617 L CB -0.224 41.257 42.059 -0.964 0.000 0.939 617 L HN 0.378 nan 8.230 nan 0.000 0.451 618 F N -0.414 119.514 119.950 -0.037 0.000 2.688 618 F HA 0.365 4.891 4.527 -0.000 0.000 0.310 618 F C 1.414 177.033 175.800 -0.302 0.000 1.098 618 F CA -0.574 57.355 58.000 -0.118 0.000 1.228 618 F CB -0.347 38.637 39.000 -0.027 0.000 1.042 618 F HN -0.127 nan 8.300 nan 0.000 0.557 619 G N 0.088 108.817 108.800 -0.118 0.000 2.504 619 G HA2 0.091 4.051 3.960 -0.000 0.000 0.257 619 G HA3 0.091 4.051 3.960 -0.000 0.000 0.257 619 G C 1.109 176.014 174.900 0.008 0.000 1.451 619 G CA -0.343 44.690 45.100 -0.112 0.000 1.059 619 G HN 0.052 nan 8.290 nan 0.000 0.550 620 K N -0.673 119.815 120.400 0.148 0.000 2.103 620 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 620 K C 0.424 177.033 176.600 0.016 0.000 1.048 620 K CA 1.023 57.358 56.287 0.079 0.000 0.930 620 K CB 0.010 32.551 32.500 0.067 0.000 0.716 620 K HN 0.272 nan 8.250 nan 0.000 0.444 621 N N 0.375 119.078 118.700 0.005 0.000 2.598 621 N HA 0.137 4.877 4.740 -0.000 0.000 0.309 621 N C -0.806 174.681 175.510 -0.038 0.000 1.645 621 N CA -0.041 52.998 53.050 -0.018 0.000 0.936 621 N CB 1.194 39.670 38.487 -0.019 0.000 1.323 621 N HN 0.128 nan 8.380 nan 0.000 0.497 622 G N -0.042 108.729 108.800 -0.048 0.000 2.503 622 G HA2 0.070 4.030 3.960 -0.000 0.000 0.257 622 G HA3 0.070 4.030 3.960 -0.000 0.000 0.257 622 G C 1.023 175.861 174.900 -0.104 0.000 1.214 622 G CA -0.308 44.737 45.100 -0.093 0.000 0.839 622 G HN 0.205 nan 8.290 nan 0.000 0.559 623 K N 0.388 120.696 120.400 -0.154 0.000 2.097 623 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 623 K C 1.405 177.937 176.600 -0.113 0.000 1.050 623 K CA 1.318 57.526 56.287 -0.131 0.000 0.938 623 K CB 0.027 32.436 32.500 -0.151 0.000 0.718 623 K HN 0.420 nan 8.250 nan 0.000 0.442 624 N N -0.228 118.369 118.700 -0.172 0.000 2.336 624 N HA 0.010 4.750 4.740 -0.000 0.000 0.189 624 N C -0.545 175.008 175.510 0.071 0.000 1.113 624 N CA 0.134 53.156 53.050 -0.048 0.000 0.858 624 N CB 0.130 38.567 38.487 -0.083 0.000 0.970 624 N HN 0.143 nan 8.380 nan 0.000 0.471 625 c N 1.141 119.747 118.600 0.010 0.000 2.351 625 c HA 0.566 5.136 4.570 -0.000 0.000 0.326 625 c C -1.930 172.153 174.090 -0.011 0.000 1.272 625 c CA -1.625 54.710 56.329 0.008 0.000 1.650 625 c CB 1.132 43.623 42.510 -0.032 0.000 2.257 625 c HN 0.189 nan 8.230 nan 0.000 0.505 626 P HA 0.173 nan 4.420 nan 0.000 0.272 626 P C 0.495 177.808 177.300 0.022 0.000 1.408 626 P CA 0.299 63.397 63.100 -0.003 0.000 0.996 626 P CB 0.229 31.919 31.700 -0.017 0.000 1.481 627 D N -0.259 120.163 120.400 0.036 0.000 2.162 627 D HA -0.099 4.541 4.640 -0.000 0.000 0.203 627 D C 1.395 177.748 176.300 0.088 0.000 0.967 627 D CA 1.337 55.367 54.000 0.049 0.000 0.840 627 D CB -0.047 40.775 40.800 0.036 0.000 0.972 627 D HN 0.112 nan 8.370 nan 0.000 0.482 628 K N -1.449 119.032 120.400 0.136 0.000 2.157 628 K HA 0.224 4.543 4.320 -0.000 0.000 0.207 628 K C -0.190 176.604 176.600 0.324 0.000 1.030 628 K CA 0.151 56.567 56.287 0.216 0.000 0.965 628 K CB 0.727 33.386 32.500 0.265 0.000 0.877 628 K HN 0.085 nan 8.250 nan 0.000 0.460 629 F N 0.039 120.109 119.950 0.199 0.000 2.635 629 F HA 0.294 4.821 4.527 -0.000 0.000 0.314 629 F C -1.835 174.038 175.800 0.122 0.000 1.119 629 F CA -1.156 56.906 58.000 0.103 0.000 1.000 629 F CB 1.393 40.338 39.000 -0.091 0.000 1.278 629 F HN -0.044 nan 8.300 nan 0.000 0.446 630 c N 6.882 125.036 118.600 -0.744 0.000 2.301 630 c HA 0.369 4.938 4.570 -0.000 0.000 0.323 630 c C 1.239 174.654 174.090 -1.125 0.000 1.265 630 c CA -0.694 55.252 56.329 -0.640 0.000 1.503 630 c CB 0.508 42.804 42.510 -0.356 0.000 2.195 630 c HN 0.987 nan 8.230 nan 0.000 0.477 631 L N 2.422 123.043 121.223 -1.004 0.000 2.141 631 L HA 0.085 4.425 4.340 -0.000 0.000 0.209 631 L C 1.271 177.615 176.870 -0.877 0.000 1.094 631 L CA 2.150 56.317 54.840 -1.122 0.000 0.763 631 L CB -0.304 40.949 42.059 -1.343 0.000 0.908 631 L HN 0.685 nan 8.230 nan 0.000 0.437 632 F N -0.966 118.811 119.950 -0.289 0.000 2.641 632 F HA 0.312 4.839 4.527 -0.000 0.000 0.302 632 F C 0.529 176.257 175.800 -0.120 0.000 1.098 632 F CA -0.546 57.363 58.000 -0.152 0.000 1.318 632 F CB -0.443 38.471 39.000 -0.143 0.000 1.035 632 F HN -0.213 nan 8.300 nan 0.000 0.551 633 K N 0.404 120.746 120.400 -0.097 0.000 2.244 633 K HA 0.446 4.766 4.320 -0.000 0.000 0.260 633 K C 0.697 177.258 176.600 -0.064 0.000 0.951 633 K CA -0.110 56.138 56.287 -0.064 0.000 0.826 633 K CB 1.641 34.079 32.500 -0.103 0.000 1.108 633 K HN 0.041 nan 8.250 nan 0.000 0.433 634 S N 0.670 116.374 115.700 0.007 0.000 2.960 634 S HA 0.060 4.530 4.470 -0.000 0.000 0.256 634 S C 0.083 174.714 174.600 0.052 0.000 1.017 634 S CA -0.290 57.930 58.200 0.033 0.000 1.144 634 S CB 0.052 63.294 63.200 0.070 0.000 1.109 634 S HN 0.661 nan 8.310 nan 0.000 0.638 635 E N 2.053 122.277 120.200 0.039 0.000 2.298 635 E HA -0.226 4.124 4.350 -0.000 0.000 0.235 635 E C 0.154 176.797 176.600 0.073 0.000 1.167 635 E CA 0.937 57.366 56.400 0.047 0.000 0.708 635 E CB -2.136 27.593 29.700 0.050 0.000 1.236 635 E HN 1.572 nan 8.360 nan 0.000 0.386 636 T N -2.475 112.121 114.554 0.070 0.000 4.146 636 T HA -0.278 4.072 4.350 -0.000 0.000 0.336 636 T C 0.498 175.282 174.700 0.140 0.000 0.762 636 T CA 2.073 64.228 62.100 0.092 0.000 1.914 636 T CB -1.626 67.294 68.868 0.086 0.000 1.897 636 T HN 0.575 nan 8.240 nan 0.000 0.862 637 K N 0.690 121.170 120.400 0.133 0.000 2.348 637 K HA 0.192 4.511 4.320 -0.000 0.000 0.194 637 K C 0.683 177.383 176.600 0.167 0.000 1.052 637 K CA 0.177 56.559 56.287 0.157 0.000 1.004 637 K CB 0.204 32.789 32.500 0.141 0.000 0.873 637 K HN 0.540 nan 8.250 nan 0.000 0.523 638 N N 1.480 120.271 118.700 0.153 0.000 2.746 638 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 638 N C -1.007 174.610 175.510 0.177 0.000 1.055 638 N CA 0.663 53.817 53.050 0.173 0.000 0.699 638 N CB -1.684 36.926 38.487 0.204 0.000 0.919 638 N HN 0.215 nan 8.380 nan 0.000 0.548 639 L N 0.894 122.206 121.223 0.148 0.000 2.290 639 L HA 0.319 4.659 4.340 -0.000 0.000 0.284 639 L C 1.957 178.875 176.870 0.081 0.000 1.078 639 L CA -0.476 54.440 54.840 0.126 0.000 0.815 639 L CB 0.680 42.806 42.059 0.113 0.000 1.162 639 L HN 0.276 nan 8.230 nan 0.000 0.435 640 L N 1.518 122.758 121.223 0.028 0.000 3.417 640 L HA -0.342 3.998 4.340 -0.000 0.000 0.368 640 L C -0.392 176.106 176.870 -0.619 0.000 0.810 640 L CA 1.531 56.236 54.840 -0.225 0.000 3.108 640 L CB -1.168 40.697 42.059 -0.322 0.000 0.687 640 L HN 0.428 nan 8.230 nan 0.000 0.756 641 F N -0.872 119.219 119.950 0.236 0.000 2.643 641 F HA 0.484 5.011 4.527 -0.000 0.000 0.314 641 F C 0.484 176.398 175.800 0.189 0.000 1.096 641 F CA -1.006 57.147 58.000 0.255 0.000 0.953 641 F CB 0.645 39.848 39.000 0.338 0.000 1.345 641 F HN -0.158 nan 8.300 nan 0.000 0.468 642 N N 1.361 120.246 118.700 0.307 0.000 2.518 642 N HA 0.022 4.762 4.740 -0.000 0.000 0.266 642 N C 0.463 176.044 175.510 0.117 0.000 1.196 642 N CA 0.188 53.325 53.050 0.145 0.000 0.947 642 N CB 0.904 39.388 38.487 -0.004 0.000 1.098 642 N HN 0.669 nan 8.380 nan 0.000 0.450 643 D N 0.523 120.973 120.400 0.083 0.000 2.263 643 D HA -0.145 4.495 4.640 -0.000 0.000 0.208 643 D C 1.157 177.458 176.300 0.001 0.000 0.971 643 D CA 0.896 54.935 54.000 0.066 0.000 0.867 643 D CB 0.137 40.968 40.800 0.050 0.000 0.929 643 D HN 0.693 nan 8.370 nan 0.000 0.492 644 N N 0.168 118.833 118.700 -0.058 0.000 2.467 644 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 644 N C 0.060 175.476 175.510 -0.157 0.000 1.106 644 N CA 0.127 53.114 53.050 -0.105 0.000 0.892 644 N CB 0.069 38.476 38.487 -0.133 0.000 0.969 644 N HN -0.229 nan 8.380 nan 0.000 0.454 645 T N 1.476 115.901 114.554 -0.216 0.000 2.829 645 T HA -0.060 4.290 4.350 -0.000 0.000 0.293 645 T C 0.979 175.367 174.700 -0.519 0.000 0.970 645 T CA 0.088 61.938 62.100 -0.417 0.000 1.168 645 T CB 1.531 69.996 68.868 -0.672 0.000 0.911 645 T HN 0.336 nan 8.240 nan 0.000 0.535 646 E N 1.609 121.591 120.200 -0.364 0.000 2.112 646 E HA -0.009 4.341 4.350 -0.000 0.000 0.190 646 E C 0.814 177.229 176.600 -0.308 0.000 0.979 646 E CA 0.602 56.847 56.400 -0.258 0.000 0.814 646 E CB 0.267 29.879 29.700 -0.147 0.000 0.762 646 E HN 0.882 nan 8.360 nan 0.000 0.460 647 c N -2.102 116.258 118.600 -0.400 0.000 3.216 647 c HA 0.510 5.080 4.570 -0.000 0.000 0.346 647 c C -1.319 172.604 174.090 -0.279 0.000 1.384 647 c CA -1.396 54.750 56.329 -0.306 0.000 1.208 647 c CB 0.111 42.567 42.510 -0.091 0.000 1.483 647 c HN 0.150 nan 8.230 nan 0.000 0.453 648 L N 2.359 123.509 121.223 -0.121 0.000 2.257 648 L HA 0.657 4.996 4.340 -0.000 0.000 0.290 648 L C 0.778 177.656 176.870 0.014 0.000 1.044 648 L CA 0.015 54.835 54.840 -0.033 0.000 0.810 648 L CB 1.249 43.329 42.059 0.034 0.000 1.193 648 L HN 1.023 nan 8.230 nan 0.000 0.425 649 A N 4.664 127.501 122.820 0.029 0.000 2.293 649 A HA 0.501 4.821 4.320 -0.000 0.000 0.302 649 A C -0.207 177.416 177.584 0.065 0.000 1.119 649 A CA -0.668 51.392 52.037 0.040 0.000 0.823 649 A CB 0.679 19.702 19.000 0.038 0.000 1.097 649 A HN 0.646 nan 8.150 nan 0.000 0.491 650 K N 0.862 121.296 120.400 0.055 0.000 2.295 650 K HA 0.420 4.740 4.320 -0.000 0.000 0.270 650 K C -0.525 176.119 176.600 0.073 0.000 1.011 650 K CA 0.088 56.412 56.287 0.061 0.000 0.953 650 K CB 0.538 33.066 32.500 0.047 0.000 0.956 650 K HN 0.586 nan 8.250 nan 0.000 0.477 651 L N 0.391 121.662 121.223 0.080 0.000 2.492 651 L HA 0.440 4.780 4.340 -0.000 0.000 0.263 651 L C 1.160 178.077 176.870 0.079 0.000 1.062 651 L CA -0.881 54.019 54.840 0.101 0.000 0.817 651 L CB 0.610 42.737 42.059 0.114 0.000 1.441 651 L HN 0.691 nan 8.230 nan 0.000 0.493 652 G N -1.134 107.717 108.800 0.085 0.000 2.508 652 G HA2 0.421 4.381 3.960 -0.000 0.000 0.278 652 G HA3 0.421 4.381 3.960 -0.000 0.000 0.278 652 G C -0.215 174.719 174.900 0.057 0.000 1.389 652 G CA -0.274 44.864 45.100 0.063 0.000 1.050 652 G HN 0.735 nan 8.290 nan 0.000 0.522 653 G N -1.306 107.522 108.800 0.046 0.000 2.358 653 G HA2 0.435 4.394 3.960 -0.000 0.000 0.273 653 G HA3 0.435 4.394 3.960 -0.000 0.000 0.273 653 G C 0.436 175.362 174.900 0.044 0.000 1.215 653 G CA -0.141 44.983 45.100 0.041 0.000 0.910 653 G HN 0.860 nan 8.290 nan 0.000 0.467 654 R N 1.455 121.982 120.500 0.046 0.000 2.873 654 R HA -0.133 4.207 4.340 -0.000 0.000 0.281 654 R C -2.723 173.611 176.300 0.057 0.000 0.933 654 R CA 0.135 56.262 56.100 0.046 0.000 0.712 654 R CB -1.010 29.311 30.300 0.036 0.000 1.780 654 R HN 0.463 nan 8.270 nan 0.000 0.488 655 P HA 0.329 nan 4.420 nan 0.000 0.305 655 P C -0.618 176.738 177.300 0.093 0.000 1.390 655 P CA -0.687 62.465 63.100 0.088 0.000 1.054 655 P CB 1.992 33.770 31.700 0.129 0.000 1.335 656 T N -1.213 113.391 114.554 0.083 0.000 2.852 656 T HA 0.201 4.551 4.350 -0.000 0.000 0.281 656 T C 1.114 175.900 174.700 0.143 0.000 0.993 656 T CA -0.133 62.024 62.100 0.096 0.000 0.933 656 T CB 0.062 68.940 68.868 0.016 0.000 1.187 656 T HN 0.470 nan 8.240 nan 0.000 0.559 657 Y N 0.087 120.440 120.300 0.089 0.000 2.242 657 Y HA 0.087 4.636 4.550 -0.000 0.000 0.291 657 Y C 2.090 178.091 175.900 0.168 0.000 1.137 657 Y CA 1.366 59.544 58.100 0.129 0.000 1.181 657 Y CB -1.034 37.471 38.460 0.075 0.000 0.989 657 Y HN 0.715 nan 8.280 nan 0.000 0.527 658 E N 0.641 120.484 120.200 -0.595 0.000 2.150 658 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 658 E C 1.904 178.439 176.600 -0.108 0.000 0.985 658 E CA 1.366 57.523 56.400 -0.405 0.000 0.814 658 E CB -0.130 29.291 29.700 -0.466 0.000 0.752 658 E HN 0.700 nan 8.360 nan 0.000 0.466 659 E N -0.097 120.081 120.200 -0.036 0.000 2.112 659 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 659 E C 1.666 178.321 176.600 0.092 0.000 0.979 659 E CA 0.606 57.024 56.400 0.030 0.000 0.814 659 E CB -0.043 29.685 29.700 0.048 0.000 0.762 659 E HN 0.260 nan 8.360 nan 0.000 0.460 660 Y N 1.355 121.683 120.300 0.046 0.000 2.184 660 Y HA -0.125 4.425 4.550 -0.000 0.000 0.290 660 Y C 1.859 177.825 175.900 0.110 0.000 1.129 660 Y CA 1.312 59.464 58.100 0.086 0.000 1.144 660 Y CB -0.060 38.472 38.460 0.121 0.000 0.995 660 Y HN -0.080 nan 8.280 nan 0.000 0.513 661 L N -0.411 120.904 121.223 0.153 0.000 2.044 661 L HA 0.117 4.457 4.340 -0.000 0.000 0.205 661 L C 1.005 177.931 176.870 0.094 0.000 1.075 661 L CA 0.892 55.830 54.840 0.163 0.000 0.747 661 L CB -1.108 41.133 42.059 0.303 0.000 0.903 661 L HN 0.442 nan 8.230 nan 0.000 0.435 662 G N -1.132 107.699 108.800 0.053 0.000 2.911 662 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.686 662 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.686 662 G C 0.259 175.184 174.900 0.042 0.000 1.136 662 G CA -0.281 44.836 45.100 0.027 0.000 0.764 662 G HN -0.026 nan 8.290 nan 0.000 0.626 663 T N 1.605 116.166 114.554 0.010 0.000 2.649 663 T HA -0.224 4.125 4.350 -0.000 0.000 0.268 663 T C 2.286 176.999 174.700 0.020 0.000 1.036 663 T CA 2.987 65.090 62.100 0.005 0.000 1.157 663 T CB -0.236 68.630 68.868 -0.003 0.000 0.861 663 T HN 0.838 nan 8.240 nan 0.000 0.445 664 E N 0.335 120.555 120.200 0.033 0.000 2.051 664 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 664 E C 1.897 178.549 176.600 0.087 0.000 0.991 664 E CA 1.145 57.571 56.400 0.043 0.000 0.799 664 E CB -0.627 29.093 29.700 0.033 0.000 0.748 664 E HN 0.596 nan 8.360 nan 0.000 0.449 665 Y N 1.432 121.710 120.300 -0.037 0.000 2.263 665 Y HA -0.102 4.447 4.550 -0.000 0.000 0.292 665 Y C 2.071 177.948 175.900 -0.038 0.000 1.130 665 Y CA 0.635 58.709 58.100 -0.043 0.000 1.179 665 Y CB -0.332 38.101 38.460 -0.045 0.000 0.998 665 Y HN -0.095 nan 8.280 nan 0.000 0.532 666 V N 0.181 120.042 119.914 -0.088 0.000 2.343 666 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 666 V C 2.476 178.515 176.094 -0.091 0.000 1.051 666 V CA 2.587 64.822 62.300 -0.109 0.000 1.036 666 V CB -1.405 30.433 31.823 0.024 0.000 0.654 666 V HN 0.643 nan 8.190 nan 0.000 0.451 667 T N -1.332 113.200 114.554 -0.037 0.000 2.951 667 T HA -0.016 4.334 4.350 -0.000 0.000 0.268 667 T C 1.901 176.573 174.700 -0.048 0.000 1.073 667 T CA 1.195 63.282 62.100 -0.021 0.000 1.134 667 T CB -0.316 68.553 68.868 0.002 0.000 0.884 667 T HN 0.449 nan 8.240 nan 0.000 0.479 668 A N 1.479 124.267 122.820 -0.054 0.000 1.930 668 A HA 0.197 4.517 4.320 -0.000 0.000 0.217 668 A C 2.329 179.837 177.584 -0.127 0.000 1.175 668 A CA 0.977 52.986 52.037 -0.045 0.000 0.627 668 A CB -0.743 18.287 19.000 0.049 0.000 0.815 668 A HN 0.549 nan 8.150 nan 0.000 0.443 669 I N -0.243 120.154 120.570 -0.288 0.000 2.252 669 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 669 I C 2.990 178.897 176.117 -0.350 0.000 1.102 669 I CA 0.906 61.933 61.300 -0.456 0.000 1.385 669 I CB -0.352 37.079 38.000 -0.948 0.000 1.064 669 I HN 0.351 nan 8.210 nan 0.000 0.414 670 A N 1.151 123.819 122.820 -0.252 0.000 1.873 670 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 670 A C 2.101 179.674 177.584 -0.018 0.000 1.193 670 A CA 2.227 54.228 52.037 -0.060 0.000 0.629 670 A CB -0.909 18.101 19.000 0.017 0.000 0.826 670 A HN 0.479 nan 8.150 nan 0.000 0.447 671 N N -0.641 118.042 118.700 -0.028 0.000 2.244 671 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 671 N C 1.644 177.156 175.510 0.003 0.000 1.016 671 N CA 1.472 54.520 53.050 -0.003 0.000 0.866 671 N CB -0.234 38.248 38.487 -0.007 0.000 0.980 671 N HN 0.440 nan 8.380 nan 0.000 0.430 672 L N 1.943 123.150 121.223 -0.027 0.000 2.156 672 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 672 L C 1.803 178.703 176.870 0.050 0.000 1.095 672 L CA 1.570 56.403 54.840 -0.010 0.000 0.770 672 L CB -0.226 41.785 42.059 -0.080 0.000 0.914 672 L HN -0.178 nan 8.230 nan 0.000 0.439 673 K N 0.252 120.668 120.400 0.027 0.000 2.442 673 K HA -0.097 4.223 4.320 -0.000 0.000 0.198 673 K C 1.776 178.438 176.600 0.103 0.000 1.042 673 K CA 0.835 57.169 56.287 0.077 0.000 0.958 673 K CB -0.101 32.443 32.500 0.073 0.000 0.766 673 K HN 0.462 nan 8.250 nan 0.000 0.474 674 K N -0.515 119.937 120.400 0.087 0.000 2.432 674 K HA 0.011 4.331 4.320 -0.000 0.000 0.196 674 K C 1.884 178.542 176.600 0.098 0.000 1.038 674 K CA 0.382 56.719 56.287 0.084 0.000 0.986 674 K CB 0.064 32.602 32.500 0.062 0.000 0.782 674 K HN 0.029 nan 8.250 nan 0.000 0.485 675 c N 0.100 118.785 118.600 0.142 0.000 2.464 675 c HA 0.108 4.678 4.570 -0.000 0.000 0.278 675 c C 1.166 175.361 174.090 0.176 0.000 1.375 675 c CA -0.018 56.413 56.329 0.171 0.000 1.761 675 c CB -0.165 42.530 42.510 0.307 0.000 1.944 675 c HN 0.235 nan 8.230 nan 0.000 0.509 676 S N -0.726 115.099 115.700 0.208 0.000 2.541 676 S HA 0.516 4.986 4.470 -0.000 0.000 0.271 676 S C -0.529 174.153 174.600 0.137 0.000 1.133 676 S CA -0.324 57.987 58.200 0.184 0.000 0.876 676 S CB 1.365 64.747 63.200 0.304 0.000 1.105 676 S HN 0.446 nan 8.310 nan 0.000 0.470 677 T N 0.575 115.188 114.554 0.098 0.000 2.829 677 T HA 0.686 5.035 4.350 -0.000 0.000 0.282 677 T C -0.126 174.613 174.700 0.065 0.000 0.990 677 T CA -0.628 61.517 62.100 0.076 0.000 1.028 677 T CB 1.449 70.347 68.868 0.051 0.000 0.951 677 T HN 0.430 nan 8.240 nan 0.000 0.460 678 S N 2.904 118.641 115.700 0.061 0.000 2.454 678 S HA 0.500 4.970 4.470 -0.000 0.000 0.306 678 S C -1.850 172.765 174.600 0.025 0.000 1.100 678 S CA -1.843 56.384 58.200 0.045 0.000 1.087 678 S CB 1.200 64.434 63.200 0.056 0.000 1.019 678 S HN 0.516 nan 8.310 nan 0.000 0.480 679 P HA -0.035 nan 4.420 nan 0.000 0.217 679 P C 1.461 178.754 177.300 -0.012 0.000 1.150 679 P CA 0.407 63.501 63.100 -0.010 0.000 0.832 679 P CB 0.100 31.789 31.700 -0.018 0.000 0.787 680 L N -1.228 119.992 121.223 -0.006 0.000 2.156 680 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 680 L C 2.044 178.911 176.870 -0.005 0.000 1.095 680 L CA 1.631 56.466 54.840 -0.009 0.000 0.770 680 L CB -1.214 40.838 42.059 -0.012 0.000 0.914 680 L HN -0.116 nan 8.230 nan 0.000 0.439 681 L N -0.972 120.256 121.223 0.007 0.000 2.156 681 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 681 L C 2.386 179.265 176.870 0.016 0.000 1.095 681 L CA 0.976 55.820 54.840 0.007 0.000 0.770 681 L CB -0.325 41.758 42.059 0.039 0.000 0.914 681 L HN 0.355 nan 8.230 nan 0.000 0.439 682 E N 0.036 120.247 120.200 0.018 0.000 2.107 682 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 682 E C 2.242 178.864 176.600 0.037 0.000 0.982 682 E CA 0.988 57.402 56.400 0.023 0.000 0.809 682 E CB -0.019 29.679 29.700 -0.002 0.000 0.756 682 E HN 0.462 nan 8.360 nan 0.000 0.459 683 A N 0.518 123.349 122.820 0.018 0.000 1.968 683 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 683 A C 2.268 179.911 177.584 0.097 0.000 1.169 683 A CA 0.760 52.820 52.037 0.037 0.000 0.638 683 A CB -0.490 18.511 19.000 0.002 0.000 0.812 683 A HN 0.320 nan 8.150 nan 0.000 0.446 684 c N -1.058 117.571 118.600 0.047 0.000 2.468 684 c HA 0.255 4.824 4.570 -0.000 0.000 0.277 684 c C 3.160 177.271 174.090 0.035 0.000 1.400 684 c CA 0.283 56.627 56.329 0.025 0.000 1.770 684 c CB -1.136 41.352 42.510 -0.037 0.000 1.905 684 c HN 0.696 nan 8.230 nan 0.000 0.519 685 A N 0.029 122.885 122.820 0.060 0.000 1.873 685 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 685 A C 1.887 179.531 177.584 0.100 0.000 1.186 685 A CA 1.425 53.501 52.037 0.065 0.000 0.616 685 A CB -0.804 18.240 19.000 0.073 0.000 0.823 685 A HN 0.536 nan 8.150 nan 0.000 0.442 686 F N 0.324 120.269 119.950 -0.008 0.000 2.293 686 F HA 0.004 4.531 4.527 -0.000 0.000 0.300 686 F C 1.701 177.502 175.800 0.001 0.000 1.086 686 F CA 1.206 59.208 58.000 0.004 0.000 1.375 686 F CB -0.023 38.985 39.000 0.013 0.000 1.045 686 F HN 0.109 nan 8.300 nan 0.000 0.516 687 L N -0.771 120.523 121.223 0.118 0.000 2.313 687 L HA -0.016 4.324 4.340 -0.000 0.000 0.214 687 L C 0.653 177.483 176.870 -0.067 0.000 1.119 687 L CA 0.782 55.630 54.840 0.015 0.000 0.809 687 L CB -0.524 41.572 42.059 0.061 0.000 0.933 687 L HN -0.045 nan 8.230 nan 0.000 0.449 688 T N 0.455 114.976 114.554 -0.055 0.000 3.278 688 T HA 0.167 4.517 4.350 -0.000 0.000 0.246 688 T C 0.668 175.321 174.700 -0.079 0.000 1.281 688 T CA -0.417 61.647 62.100 -0.062 0.000 1.281 688 T CB 0.074 68.921 68.868 -0.036 0.000 1.064 688 T HN 0.066 nan 8.240 nan 0.000 0.628 689 R N 0.000 120.415 120.500 -0.142 0.000 2.786 689 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 689 R CA 0.000 55.995 56.100 -0.175 0.000 0.921 689 R CB 0.000 30.128 30.300 -0.287 0.000 0.687 689 R HN 0.000 nan 8.270 nan 0.000 0.535