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 1n7d_1_A DATA FIRST_RESID 44 DATA SEQUENCE SVTcKSGDFS cGGXXNRcIP QFWRcDGQVD cXNGSDEQGc PPKTCSQDEF DATA SEQUENCE RcHDGXXXXR QFVcDSDRDc LDGSDEAScP VLTcGPASFQ cNSSTcIPQL DATA SEQUENCE WAcDNDPDcE DGSDEWPQRc RGLYVFQGDS SPcSAFEFHc LSGEcIHSSW DATA SEQUENCE RcDGGPDcKD KSDEENcAVA TcRPDEFQcS DGNcIHGSRQ cDREYDcKDM DATA SEQUENCE SDEVGcVNVT LcEGPNKFKc HSGEcITLDK VcNMARDcRD WSDEPIKEcG DATA SEQUENCE TNEcLDNNGG cSHVcNDLKI GYEcLcPDGF QLVAQRRcED IDEcQDPDTc DATA SEQUENCE SQLcVNLEGG YKcQcEEGFQ LDPHTKAcKA VGSIAYLFFT NRHEXRKMTL DATA SEQUENCE DRSEYTSLIP NLRNVVALDT EVASNRIYWS DLSQRMICST QLDRAHGXSS DATA SEQUENCE YDTVISRDIX XPDGLAVDWI HSNIYWTDSV LGTVSVADTK GVKRKTLFRE DATA SEQUENCE QGSKPRAIVV DPVHGFMYWT DWGTPAKIKK GGLNGVDIYS LVTENIQWPN DATA SEQUENCE GITLDLLSGR LYWVDSKLHS ISSIDVNGGN RKTILEDEKR LAHPFSLAVF DATA SEQUENCE EDKVFWTDII NEAIFSANRL TGSDVNLLAE NLLSPEDMVL FHQLTQPRGV DATA SEQUENCE NWcERTTLSN GGcQYLcLPA PQINPHSPKF TcAcPDGMLL ARDMRScLTE 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 44 S HA 0.000 nan 4.470 nan 0.000 0.327 44 S C 0.000 174.603 174.600 0.005 0.000 1.055 44 S CA 0.000 58.201 58.200 0.002 0.000 1.107 44 S CB 0.000 63.203 63.200 0.004 0.000 0.593 45 V N 3.128 123.044 119.914 0.003 0.000 2.452 45 V HA 0.424 4.545 4.120 0.000 0.000 0.286 45 V C 0.737 176.834 176.094 0.005 0.000 0.995 45 V CA 2.107 64.409 62.300 0.004 0.000 1.116 45 V CB 0.419 32.241 31.823 -0.002 0.000 0.954 45 V HN 1.084 nan 8.190 nan 0.000 0.473 46 T N 2.000 116.560 114.554 0.010 0.000 5.378 46 T HA -0.015 4.335 4.350 0.000 0.000 0.275 46 T C -0.012 174.699 174.700 0.018 0.000 0.919 46 T CA -0.569 61.538 62.100 0.011 0.000 0.507 46 T CB -1.366 67.508 68.868 0.010 0.000 0.520 46 T HN 0.609 nan 8.240 nan 0.000 0.234 47 c N 2.861 121.473 118.600 0.021 0.000 2.547 47 c HA -0.008 4.562 4.570 0.000 0.000 0.387 47 c C 1.397 175.509 174.090 0.037 0.000 1.349 47 c CA 0.566 56.914 56.329 0.032 0.000 1.626 47 c CB -0.298 42.235 42.510 0.038 0.000 2.579 47 c HN 0.637 nan 8.230 nan 0.000 0.594 48 K N 2.976 123.405 120.400 0.047 0.000 2.441 48 K HA -0.074 4.246 4.320 0.000 0.000 0.273 48 K C 0.626 177.253 176.600 0.045 0.000 1.090 48 K CA 0.319 56.634 56.287 0.047 0.000 1.158 48 K CB 0.169 32.705 32.500 0.061 0.000 0.847 48 K HN 0.687 nan 8.250 nan 0.000 0.483 49 S N 2.230 117.951 115.700 0.035 0.000 2.945 49 S HA 0.034 4.504 4.470 0.000 0.000 0.344 49 S C 0.276 174.900 174.600 0.040 0.000 1.066 49 S CA 0.298 58.517 58.200 0.032 0.000 1.721 49 S CB -0.609 62.605 63.200 0.024 0.000 1.330 49 S HN 0.738 nan 8.310 nan 0.000 0.623 50 G N 1.928 110.758 108.800 0.051 0.000 2.634 50 G HA2 0.331 4.291 3.960 0.000 0.000 0.309 50 G HA3 0.331 4.291 3.960 0.000 0.000 0.309 50 G C -1.177 173.772 174.900 0.082 0.000 1.299 50 G CA -0.515 44.624 45.100 0.066 0.000 0.798 50 G HN 0.335 nan 8.290 nan 0.000 0.490 51 D N -0.369 120.101 120.400 0.116 0.000 2.894 51 D HA 0.439 5.079 4.640 0.000 0.000 0.248 51 D C -1.162 175.298 176.300 0.266 0.000 1.291 51 D CA -0.246 53.839 54.000 0.142 0.000 0.840 51 D CB -0.362 40.517 40.800 0.132 0.000 1.044 51 D HN 0.188 nan 8.370 nan 0.000 0.484 52 F N 0.147 120.108 119.950 0.017 0.000 2.871 52 F HA 0.155 4.682 4.527 0.000 0.000 0.322 52 F C -1.539 174.275 175.800 0.024 0.000 1.029 52 F CA -0.416 57.594 58.000 0.018 0.000 1.197 52 F CB 0.312 39.325 39.000 0.022 0.000 1.478 52 F HN -0.112 nan 8.300 nan 0.000 0.709 53 S N 3.220 118.825 115.700 -0.158 0.000 2.565 53 S HA 0.737 5.207 4.470 0.000 0.000 0.269 53 S C -0.356 174.201 174.600 -0.071 0.000 1.153 53 S CA -0.494 57.724 58.200 0.030 0.000 0.835 53 S CB 1.550 64.793 63.200 0.072 0.000 1.122 53 S HN 1.069 nan 8.310 nan 0.000 0.462 54 c N 0.562 119.177 118.600 0.026 0.000 2.920 54 c HA 1.031 5.601 4.570 0.000 0.000 0.114 54 c C 1.582 175.671 174.090 -0.002 0.000 2.675 54 c CA 0.605 56.936 56.329 0.003 0.000 1.955 54 c CB -0.007 42.532 42.510 0.049 0.000 3.024 54 c HN 2.445 nan 8.230 nan 0.000 0.366 55 G N 0.268 109.069 108.800 0.001 0.000 2.498 55 G HA2 0.410 4.370 3.960 0.000 0.000 0.251 55 G HA3 0.410 4.370 3.960 0.000 0.000 0.251 55 G C 0.784 175.676 174.900 -0.013 0.000 1.170 55 G CA 0.933 46.029 45.100 -0.007 0.000 0.944 55 G HN 3.305 nan 8.290 nan 0.000 0.567 60 R N 0.621 121.140 120.500 0.032 0.000 2.501 60 R HA 0.177 4.517 4.340 0.000 0.000 0.319 60 R C 0.629 176.971 176.300 0.071 0.000 0.913 60 R CA 0.658 56.783 56.100 0.041 0.000 1.104 60 R CB -1.500 28.815 30.300 0.026 0.000 0.901 60 R HN 1.464 nan 8.270 nan 0.000 0.407 61 c N 2.243 120.908 118.600 0.107 0.000 3.873 61 c HA -0.131 4.439 4.570 0.000 0.000 0.316 61 c C 0.037 174.235 174.090 0.180 0.000 1.040 61 c CA -1.029 55.388 56.329 0.147 0.000 2.437 61 c CB -2.727 39.842 42.510 0.098 0.000 1.383 61 c HN 0.636 nan 8.230 nan 0.000 0.576 62 I N 2.198 122.932 120.570 0.274 0.000 2.562 62 I HA 0.520 4.690 4.170 0.000 0.000 0.301 62 I C -1.193 174.958 176.117 0.057 0.000 1.003 62 I CA -2.686 58.742 61.300 0.213 0.000 1.127 62 I CB 1.025 39.178 38.000 0.254 0.000 1.304 62 I HN 0.034 nan 8.210 nan 0.000 0.446 63 P HA -0.224 nan 4.420 nan 0.000 0.250 63 P C 0.828 178.013 177.300 -0.191 0.000 1.217 63 P CA 1.636 64.694 63.100 -0.070 0.000 0.762 63 P CB -0.444 31.201 31.700 -0.093 0.000 0.953 64 Q N -4.282 115.229 119.800 -0.480 0.000 2.222 64 Q HA -0.322 4.018 4.340 0.000 0.000 0.207 64 Q C 1.150 176.812 176.000 -0.565 0.000 0.743 64 Q CA 2.273 57.673 55.803 -0.670 0.000 1.425 64 Q CB -3.223 25.419 28.738 -0.160 0.000 1.853 64 Q HN 0.479 nan 8.270 nan 0.000 0.628 65 F N -3.604 116.099 119.950 -0.412 0.000 2.834 65 F HA 0.341 4.868 4.527 0.000 0.000 0.332 65 F C 1.536 177.217 175.800 -0.198 0.000 1.056 65 F CA -0.099 57.729 58.000 -0.287 0.000 1.178 65 F CB 0.550 39.395 39.000 -0.258 0.000 1.037 65 F HN 0.392 nan 8.300 nan 0.000 0.580 66 W N 1.736 122.981 121.300 -0.091 0.000 2.632 66 W HA -0.050 4.610 4.660 0.000 0.000 0.248 66 W C 1.395 177.847 176.519 -0.112 0.000 1.259 66 W CA 0.224 57.540 57.345 -0.048 0.000 1.288 66 W CB -0.118 29.314 29.460 -0.045 0.000 1.136 66 W HN -0.313 nan 8.180 nan 0.000 0.640 67 R N 1.148 121.576 120.500 -0.120 0.000 2.399 67 R HA -0.005 4.335 4.340 0.000 0.000 0.324 67 R C 0.367 176.542 176.300 -0.208 0.000 1.030 67 R CA 0.212 56.169 56.100 -0.239 0.000 0.984 67 R CB -0.220 29.686 30.300 -0.657 0.000 0.961 67 R HN 0.129 nan 8.270 nan 0.000 0.433 68 c N 4.206 122.784 118.600 -0.037 0.000 3.893 68 c HA -0.152 4.418 4.570 0.000 0.000 0.292 68 c C 1.375 175.469 174.090 0.006 0.000 1.490 68 c CA 1.275 57.592 56.329 -0.019 0.000 2.043 68 c CB -2.088 40.401 42.510 -0.035 0.000 1.291 68 c HN 0.939 nan 8.230 nan 0.000 0.711 69 D N 0.419 120.869 120.400 0.082 0.000 2.363 69 D HA 0.214 4.854 4.640 0.000 0.000 0.226 69 D C 0.979 177.376 176.300 0.163 0.000 1.020 69 D CA 0.899 55.030 54.000 0.217 0.000 0.892 69 D CB -0.366 40.588 40.800 0.256 0.000 0.900 69 D HN 1.184 nan 8.370 nan 0.000 0.531 70 G N -0.433 108.440 108.800 0.122 0.000 2.547 70 G HA2 0.260 4.220 3.960 0.000 0.000 0.226 70 G HA3 0.260 4.220 3.960 0.000 0.000 0.226 70 G C -0.092 174.883 174.900 0.126 0.000 0.871 70 G CA 0.393 45.555 45.100 0.102 0.000 1.142 70 G HN 1.160 nan 8.290 nan 0.000 0.362 71 Q N -1.322 118.551 119.800 0.123 0.000 3.256 71 Q HA 0.718 5.058 4.340 0.000 0.000 0.182 71 Q C 0.396 176.443 176.000 0.078 0.000 0.867 71 Q CA 0.246 56.123 55.803 0.124 0.000 1.337 71 Q CB -0.712 28.157 28.738 0.218 0.000 1.538 71 Q HN 2.625 nan 8.270 nan 0.000 0.646 72 V N 1.841 121.777 119.914 0.037 0.000 2.691 72 V HA 0.368 4.488 4.120 0.000 0.000 0.262 72 V C -0.074 175.991 176.094 -0.050 0.000 0.954 72 V CA 1.634 63.935 62.300 0.002 0.000 1.171 72 V CB -0.310 31.512 31.823 -0.001 0.000 0.957 72 V HN 0.704 nan 8.190 nan 0.000 0.466 73 D N 3.937 124.293 120.400 -0.073 0.000 2.936 73 D HA 0.612 5.252 4.640 0.000 0.000 0.238 73 D C -0.502 175.735 176.300 -0.104 0.000 1.248 73 D CA 0.276 54.170 54.000 -0.176 0.000 0.903 73 D CB 1.989 42.546 40.800 -0.405 0.000 1.544 73 D HN 0.882 nan 8.370 nan 0.000 0.543 77 G N 0.786 109.589 108.800 0.004 0.000 2.600 77 G HA2 -0.027 3.933 3.960 0.000 0.000 0.251 77 G HA3 -0.027 3.933 3.960 0.000 0.000 0.251 77 G C -0.505 174.403 174.900 0.014 0.000 1.142 77 G CA 0.409 45.511 45.100 0.003 0.000 0.994 77 G HN 1.038 nan 8.290 nan 0.000 0.511 78 S N -0.109 115.611 115.700 0.032 0.000 2.588 78 S HA 0.579 5.049 4.470 0.000 0.000 0.269 78 S C 0.576 175.230 174.600 0.090 0.000 1.157 78 S CA 0.848 59.089 58.200 0.068 0.000 0.824 78 S CB 1.580 64.826 63.200 0.077 0.000 1.126 78 S HN 1.870 nan 8.310 nan 0.000 0.464 79 D N 1.630 122.121 120.400 0.152 0.000 2.846 79 D HA -0.223 4.417 4.640 0.000 0.000 0.223 79 D C 0.505 176.866 176.300 0.103 0.000 1.171 79 D CA 1.993 56.082 54.000 0.148 0.000 0.627 79 D CB -1.126 39.781 40.800 0.178 0.000 1.052 79 D HN 1.100 nan 8.370 nan 0.000 0.415 80 E N -5.285 114.961 120.200 0.076 0.000 1.490 80 E HA -0.023 4.327 4.350 0.000 0.000 0.187 80 E C 0.767 177.396 176.600 0.048 0.000 0.769 80 E CA 0.650 57.088 56.400 0.063 0.000 1.080 80 E CB -1.520 28.226 29.700 0.077 0.000 3.784 80 E HN 0.623 nan 8.360 nan 0.000 0.572 81 Q N 0.260 120.090 119.800 0.050 0.000 1.798 81 Q HA 0.440 4.780 4.340 0.000 0.000 0.173 81 Q C 0.862 176.887 176.000 0.041 0.000 0.780 81 Q CA 0.410 56.235 55.803 0.037 0.000 0.866 81 Q CB 0.198 28.953 28.738 0.030 0.000 1.234 81 Q HN 0.421 nan 8.270 nan 0.000 0.390 82 G N -0.339 108.501 108.800 0.067 0.000 4.044 82 G HA2 0.444 4.404 3.960 0.000 0.000 0.297 82 G HA3 0.444 4.404 3.960 0.000 0.000 0.297 82 G C 0.331 175.278 174.900 0.078 0.000 1.101 82 G CA 0.181 45.331 45.100 0.085 0.000 0.884 82 G HN 0.464 nan 8.290 nan 0.000 0.538 83 c N 0.658 119.285 118.600 0.045 0.000 2.649 83 c HA 0.328 4.898 4.570 0.000 0.000 0.377 83 c C -0.121 173.977 174.090 0.014 0.000 1.321 83 c CA -0.776 55.569 56.329 0.027 0.000 2.368 83 c CB 1.675 44.198 42.510 0.021 0.000 2.597 83 c HN 0.383 nan 8.230 nan 0.000 0.678 84 P HA -0.067 nan 4.420 nan 0.000 0.218 84 P C -2.207 175.094 177.300 0.002 0.000 1.073 84 P CA 0.489 63.590 63.100 0.002 0.000 0.944 84 P CB -1.566 30.135 31.700 0.002 0.000 0.572 85 P HA -0.134 nan 4.420 nan 0.000 0.247 85 P C -0.023 177.276 177.300 -0.002 0.000 1.115 85 P CA 1.000 64.100 63.100 0.000 0.000 0.799 85 P CB -0.596 31.105 31.700 0.001 0.000 0.721 86 K N 1.891 122.288 120.400 -0.004 0.000 2.219 86 K HA 0.522 4.842 4.320 0.000 0.000 0.258 86 K C -0.093 176.502 176.600 -0.008 0.000 1.008 86 K CA -0.393 55.890 56.287 -0.008 0.000 0.928 86 K CB 0.413 32.906 32.500 -0.011 0.000 0.983 86 K HN 0.263 nan 8.250 nan 0.000 0.484 87 T N -1.276 113.272 114.554 -0.010 0.000 2.754 87 T HA 0.169 4.519 4.350 0.000 0.000 0.296 87 T C -0.587 174.107 174.700 -0.011 0.000 1.205 87 T CA -0.840 61.253 62.100 -0.010 0.000 1.009 87 T CB 0.889 69.750 68.868 -0.011 0.000 1.368 87 T HN 0.766 nan 8.240 nan 0.000 0.509 88 C N 1.868 121.161 119.300 -0.010 0.000 2.955 88 C HA 0.071 4.531 4.460 0.000 0.000 0.234 88 C C 1.413 176.399 174.990 -0.005 0.000 1.398 88 C CA 0.785 59.798 59.018 -0.008 0.000 2.269 88 C CB -2.932 24.803 27.740 -0.008 0.000 1.470 88 C HN 1.158 nan 8.230 nan 0.000 0.438 89 S N 0.476 116.172 115.700 -0.006 0.000 2.505 89 S HA 0.564 5.034 4.470 0.000 0.000 0.276 89 S C 0.706 175.305 174.600 -0.002 0.000 1.274 89 S CA 1.200 59.396 58.200 -0.007 0.000 1.053 89 S CB 0.473 63.668 63.200 -0.008 0.000 0.919 89 S HN 2.384 nan 8.310 nan 0.000 0.490 90 Q N -0.064 119.734 119.800 -0.003 0.000 2.438 90 Q HA 0.367 4.707 4.340 0.000 0.000 0.356 90 Q C 0.129 176.137 176.000 0.013 0.000 1.438 90 Q CA 1.518 57.321 55.803 -0.000 0.000 0.973 90 Q CB -2.616 26.121 28.738 -0.002 0.000 1.151 90 Q HN 2.763 nan 8.270 nan 0.000 0.328 91 D N -1.999 118.410 120.400 0.015 0.000 3.312 91 D HA 0.645 5.286 4.640 0.000 0.000 0.117 91 D C -0.096 176.220 176.300 0.026 0.000 0.845 91 D CA 0.843 54.865 54.000 0.035 0.000 1.940 91 D CB -1.384 39.445 40.800 0.048 0.000 1.357 91 D HN 2.211 nan 8.370 nan 0.000 0.902 92 E N -0.084 120.128 120.200 0.021 0.000 2.127 92 E HA 0.566 4.916 4.350 0.000 0.000 0.295 92 E C 0.239 176.853 176.600 0.024 0.000 1.155 92 E CA 0.538 56.947 56.400 0.015 0.000 1.201 92 E CB -1.038 28.667 29.700 0.007 0.000 1.083 92 E HN 2.080 nan 8.360 nan 0.000 0.472 93 F N -0.079 119.883 119.950 0.020 0.000 2.931 93 F HA 0.685 5.212 4.527 0.000 0.000 0.375 93 F C 0.705 176.506 175.800 0.001 0.000 1.243 93 F CA -0.539 57.472 58.000 0.019 0.000 1.206 93 F CB -0.011 39.006 39.000 0.029 0.000 1.643 93 F HN 0.747 nan 8.300 nan 0.000 0.593 94 R N 1.537 122.039 120.500 0.003 0.000 3.710 94 R HA 0.487 4.827 4.340 0.000 0.000 0.201 94 R C 0.441 176.742 176.300 0.001 0.000 1.641 94 R CA 0.153 56.250 56.100 -0.005 0.000 1.390 94 R CB -1.688 28.614 30.300 0.003 0.000 1.341 94 R HN 1.135 nan 8.270 nan 0.000 0.728 95 c N 1.566 120.155 118.600 -0.019 0.000 2.950 95 c HA 0.037 4.607 4.570 0.000 0.000 0.268 95 c C 2.039 176.128 174.090 -0.000 0.000 1.447 95 c CA 0.069 56.399 56.329 0.002 0.000 1.952 95 c CB 0.179 42.647 42.510 -0.070 0.000 2.092 95 c HN 0.903 nan 8.230 nan 0.000 0.673 96 H N 0.244 119.316 119.070 0.003 0.000 2.571 96 H HA 0.087 4.643 4.556 0.000 0.000 0.283 96 H C -0.184 175.146 175.328 0.003 0.000 1.075 96 H CA 1.085 57.134 56.048 0.002 0.000 1.191 96 H CB -0.581 29.181 29.762 0.001 0.000 1.309 96 H HN 0.663 nan 8.280 nan 0.000 0.628 97 D N -0.729 119.519 120.400 -0.254 0.000 2.168 97 D HA 0.300 4.940 4.640 0.000 0.000 0.062 97 D C 0.646 176.874 176.300 -0.121 0.000 1.427 97 D CA 0.767 54.646 54.000 -0.202 0.000 1.116 97 D CB 0.355 40.974 40.800 -0.301 0.000 2.819 97 D HN 0.435 nan 8.370 nan 0.000 0.199 104 Q N 1.028 120.784 119.800 -0.073 0.000 2.274 104 Q HA 0.331 4.671 4.340 0.000 0.000 0.256 104 Q C -1.454 174.451 176.000 -0.158 0.000 0.927 104 Q CA -0.571 55.236 55.803 0.005 0.000 0.939 104 Q CB 0.820 29.552 28.738 -0.010 0.000 1.201 104 Q HN 0.459 nan 8.270 nan 0.000 0.426 105 F N 3.965 123.913 119.950 -0.003 0.000 2.508 105 F HA 0.181 4.709 4.527 0.000 0.000 0.329 105 F C 0.669 176.469 175.800 0.001 0.000 1.198 105 F CA -0.880 57.120 58.000 -0.000 0.000 1.268 105 F CB 0.783 39.784 39.000 0.002 0.000 1.584 105 F HN 0.534 nan 8.300 nan 0.000 0.570 106 V N 2.898 122.840 119.914 0.046 0.000 3.204 106 V HA -0.316 3.805 4.120 0.000 0.000 0.250 106 V C 0.876 177.002 176.094 0.054 0.000 1.195 106 V CA 0.611 62.930 62.300 0.032 0.000 1.330 106 V CB -1.794 30.024 31.823 -0.009 0.000 1.148 106 V HN 1.020 nan 8.190 nan 0.000 0.458 107 c N 2.383 121.035 118.600 0.087 0.000 2.735 107 c HA -0.148 4.422 4.570 0.000 0.000 0.256 107 c C 0.142 174.274 174.090 0.070 0.000 1.159 107 c CA 0.037 56.411 56.329 0.075 0.000 2.626 107 c CB -2.546 39.993 42.510 0.048 0.000 1.597 107 c HN 0.899 nan 8.230 nan 0.000 0.412 108 D N 2.145 122.605 120.400 0.101 0.000 3.060 108 D HA 0.352 4.992 4.640 0.000 0.000 0.245 108 D C 0.876 177.219 176.300 0.072 0.000 1.274 108 D CA 0.835 54.890 54.000 0.091 0.000 0.864 108 D CB 0.143 41.026 40.800 0.139 0.000 1.073 108 D HN 1.104 nan 8.370 nan 0.000 0.473 109 S N 0.733 116.466 115.700 0.054 0.000 3.447 109 S HA -0.219 4.251 4.470 0.000 0.000 0.371 109 S C -0.760 173.862 174.600 0.037 0.000 0.951 109 S CA 0.607 58.831 58.200 0.040 0.000 1.269 109 S CB -0.938 62.283 63.200 0.034 0.000 0.919 109 S HN 0.552 nan 8.310 nan 0.000 0.516 110 D N 0.569 120.991 120.400 0.036 0.000 2.738 110 D HA 0.103 4.744 4.640 0.000 0.000 0.218 110 D C 0.015 176.316 176.300 0.003 0.000 1.345 110 D CA -0.565 53.447 54.000 0.019 0.000 0.943 110 D CB 1.032 41.843 40.800 0.019 0.000 1.514 110 D HN 0.450 nan 8.370 nan 0.000 0.585 111 R N 2.773 123.273 120.500 0.000 0.000 4.375 111 R HA -0.103 4.237 4.340 0.000 0.000 0.207 111 R C -0.747 175.538 176.300 -0.025 0.000 0.768 111 R CA 0.668 56.766 56.100 -0.003 0.000 0.936 111 R CB -0.306 29.994 30.300 -0.000 0.000 0.967 111 R HN 0.219 nan 8.270 nan 0.000 0.358 112 D N 2.815 123.195 120.400 -0.034 0.000 2.736 112 D HA 0.179 4.820 4.640 0.000 0.000 0.293 112 D C -0.289 175.982 176.300 -0.047 0.000 1.241 112 D CA -0.137 53.814 54.000 -0.083 0.000 0.965 112 D CB 0.795 41.497 40.800 -0.164 0.000 0.992 112 D HN 0.416 nan 8.370 nan 0.000 0.510 113 c N 0.628 119.217 118.600 -0.019 0.000 4.116 113 c HA -0.045 4.525 4.570 0.000 0.000 0.392 113 c C 1.010 175.127 174.090 0.045 0.000 2.984 113 c CA -0.426 55.903 56.329 -0.001 0.000 1.604 113 c CB -1.156 41.371 42.510 0.029 0.000 2.079 113 c HN 0.738 nan 8.230 nan 0.000 0.339 114 L N 1.359 122.602 121.223 0.032 0.000 4.179 114 L HA -0.194 4.146 4.340 0.000 0.000 0.418 114 L C -0.343 176.587 176.870 0.100 0.000 1.168 114 L CA 1.814 56.686 54.840 0.054 0.000 0.972 114 L CB -1.700 40.392 42.059 0.056 0.000 2.005 114 L HN 0.817 nan 8.230 nan 0.000 0.935 115 D N -1.820 118.638 120.400 0.097 0.000 2.787 115 D HA 0.225 4.865 4.640 0.000 0.000 0.215 115 D C 0.738 177.066 176.300 0.045 0.000 1.246 115 D CA 0.007 54.050 54.000 0.071 0.000 0.798 115 D CB 0.996 41.863 40.800 0.112 0.000 1.649 115 D HN -0.049 nan 8.370 nan 0.000 0.507 116 G N 0.972 109.779 108.800 0.013 0.000 2.726 116 G HA2 -0.067 3.893 3.960 0.000 0.000 0.207 116 G HA3 -0.067 3.893 3.960 0.000 0.000 0.207 116 G C 0.525 175.438 174.900 0.022 0.000 1.157 116 G CA 0.523 45.630 45.100 0.012 0.000 0.787 116 G HN 0.409 nan 8.290 nan 0.000 0.539 117 S N 0.092 115.818 115.700 0.043 0.000 2.601 117 S HA 0.402 4.872 4.470 0.000 0.000 0.271 117 S C 0.056 174.692 174.600 0.060 0.000 1.305 117 S CA 0.411 58.647 58.200 0.060 0.000 1.022 117 S CB 0.820 64.089 63.200 0.115 0.000 0.940 117 S HN 0.751 nan 8.310 nan 0.000 0.525 118 D N 1.632 122.064 120.400 0.054 0.000 4.520 118 D HA -0.155 4.485 4.640 0.000 0.000 0.245 118 D C -0.577 175.752 176.300 0.047 0.000 1.068 118 D CA 1.314 55.347 54.000 0.056 0.000 1.211 118 D CB -1.736 39.101 40.800 0.061 0.000 0.818 118 D HN 0.727 nan 8.370 nan 0.000 0.392 119 E N 0.587 120.811 120.200 0.039 0.000 2.493 119 E HA 0.162 4.512 4.350 0.000 0.000 0.324 119 E C -0.352 176.261 176.600 0.020 0.000 0.983 119 E CA 0.842 57.260 56.400 0.031 0.000 0.972 119 E CB -1.452 28.268 29.700 0.033 0.000 1.365 119 E HN 1.311 nan 8.360 nan 0.000 0.404 120 A N 0.638 123.468 122.820 0.017 0.000 3.019 120 A HA 0.557 4.877 4.320 0.000 0.000 0.202 120 A C 0.308 177.896 177.584 0.006 0.000 0.924 120 A CA 0.372 52.414 52.037 0.009 0.000 1.156 120 A CB 0.605 19.609 19.000 0.007 0.000 1.265 120 A HN 0.578 nan 8.150 nan 0.000 0.526 121 S N -1.305 114.399 115.700 0.007 0.000 2.514 121 S HA 0.162 4.632 4.470 0.000 0.000 0.193 121 S C -0.866 173.736 174.600 0.004 0.000 0.790 121 S CA 0.243 58.445 58.200 0.004 0.000 0.958 121 S CB -0.611 62.593 63.200 0.006 0.000 1.696 121 S HN 0.672 nan 8.310 nan 0.000 0.514 122 c N 3.132 121.733 118.600 0.003 0.000 3.414 122 c HA 0.561 5.131 4.570 0.000 0.000 0.208 122 c C -1.553 172.536 174.090 -0.002 0.000 1.422 122 c CA -0.940 55.391 56.329 0.003 0.000 1.437 122 c CB -1.115 41.401 42.510 0.010 0.000 1.850 122 c HN 0.724 nan 8.230 nan 0.000 0.481 123 P HA 0.585 nan 4.420 nan 0.000 0.286 123 P C -1.185 176.107 177.300 -0.013 0.000 1.293 123 P CA -0.183 62.910 63.100 -0.011 0.000 0.770 123 P CB 0.481 32.174 31.700 -0.013 0.000 1.206 124 V N -1.364 118.540 119.914 -0.017 0.000 2.719 124 V HA 0.172 4.292 4.120 0.000 0.000 0.289 124 V C -0.526 175.553 176.094 -0.024 0.000 1.167 124 V CA -0.899 61.388 62.300 -0.021 0.000 0.929 124 V CB 0.929 32.739 31.823 -0.022 0.000 1.050 124 V HN 0.367 nan 8.190 nan 0.000 0.448 125 L N 4.325 125.532 121.223 -0.026 0.000 2.506 125 L HA 0.365 4.705 4.340 0.000 0.000 0.281 125 L C 1.258 178.111 176.870 -0.029 0.000 1.228 125 L CA 1.151 55.975 54.840 -0.027 0.000 0.850 125 L CB 0.919 42.960 42.059 -0.030 0.000 1.110 125 L HN 1.005 nan 8.230 nan 0.000 0.496 126 T N 1.248 115.785 114.554 -0.029 0.000 2.928 126 T HA 0.007 4.357 4.350 0.000 0.000 0.305 126 T C 0.509 175.190 174.700 -0.033 0.000 1.035 126 T CA -0.745 61.336 62.100 -0.032 0.000 1.145 126 T CB -0.161 68.689 68.868 -0.029 0.000 0.963 126 T HN 0.668 nan 8.240 nan 0.000 0.545 127 c N 4.470 123.047 118.600 -0.039 0.000 2.698 127 c HA 0.353 4.923 4.570 0.000 0.000 0.394 127 c C 1.882 175.956 174.090 -0.027 0.000 1.358 127 c CA -0.075 56.233 56.329 -0.035 0.000 1.428 127 c CB -2.248 40.237 42.510 -0.042 0.000 2.259 127 c HN 1.098 nan 8.230 nan 0.000 0.614 128 G N 5.865 114.649 108.800 -0.027 0.000 3.269 128 G HA2 -0.053 3.907 3.960 0.000 0.000 0.267 128 G HA3 -0.053 3.907 3.960 0.000 0.000 0.267 128 G C -1.463 173.426 174.900 -0.018 0.000 1.280 128 G CA -0.587 44.499 45.100 -0.023 0.000 0.962 128 G HN 0.542 nan 8.290 nan 0.000 0.648 129 P HA 0.177 nan 4.420 nan 0.000 0.316 129 P C -0.159 177.132 177.300 -0.015 0.000 1.508 129 P CA 1.511 64.605 63.100 -0.010 0.000 0.741 129 P CB -0.175 31.521 31.700 -0.007 0.000 1.593 130 A N -0.906 121.902 122.820 -0.021 0.000 3.124 130 A HA 0.545 4.866 4.320 0.000 0.000 0.295 130 A C -0.164 177.406 177.584 -0.024 0.000 1.199 130 A CA -0.225 51.787 52.037 -0.041 0.000 0.845 130 A CB 0.334 19.292 19.000 -0.069 0.000 1.381 130 A HN 0.065 nan 8.150 nan 0.000 0.537 131 S N 0.502 116.213 115.700 0.019 0.000 2.611 131 S HA 0.915 5.385 4.470 0.000 0.000 0.268 131 S C -1.625 173.088 174.600 0.189 0.000 1.156 131 S CA -0.388 57.851 58.200 0.065 0.000 0.817 131 S CB 1.323 64.533 63.200 0.017 0.000 1.122 131 S HN 1.561 nan 8.310 nan 0.000 0.466 132 F N 0.463 120.414 119.950 0.001 0.000 2.900 132 F HA 0.571 5.098 4.527 0.000 0.000 0.321 132 F C -1.775 174.052 175.800 0.045 0.000 1.160 132 F CA -0.368 57.648 58.000 0.027 0.000 0.890 132 F CB 1.308 40.335 39.000 0.044 0.000 1.334 132 F HN 0.760 nan 8.300 nan 0.000 0.459 133 Q N 1.072 120.621 119.800 -0.417 0.000 2.456 133 Q HA 0.470 4.811 4.340 0.000 0.000 0.284 133 Q C -1.848 174.279 176.000 0.212 0.000 1.061 133 Q CA -0.851 54.917 55.803 -0.058 0.000 0.799 133 Q CB 2.767 31.383 28.738 -0.203 0.000 1.445 133 Q HN 0.752 nan 8.270 nan 0.000 0.411 134 c N 2.622 121.370 118.600 0.245 0.000 2.394 134 c HA 0.149 4.719 4.570 0.000 0.000 0.362 134 c C 0.957 175.143 174.090 0.160 0.000 1.268 134 c CA -0.703 55.800 56.329 0.290 0.000 1.828 134 c CB -0.637 42.022 42.510 0.247 0.000 2.442 134 c HN 0.830 nan 8.230 nan 0.000 0.549 135 N N 2.026 120.815 118.700 0.147 0.000 2.786 135 N HA -0.099 4.641 4.740 0.000 0.000 0.201 135 N C 0.057 175.603 175.510 0.060 0.000 1.405 135 N CA 0.381 53.462 53.050 0.050 0.000 0.959 135 N CB -0.392 38.126 38.487 0.053 0.000 1.092 135 N HN 0.493 nan 8.380 nan 0.000 0.449 136 S N -0.152 115.602 115.700 0.090 0.000 2.078 136 S HA 0.282 4.752 4.470 0.000 0.000 0.168 136 S C -0.306 174.339 174.600 0.075 0.000 1.542 136 S CA -0.731 57.518 58.200 0.081 0.000 1.223 136 S CB 0.229 63.490 63.200 0.102 0.000 1.152 136 S HN 0.350 nan 8.310 nan 0.000 0.452 137 S N 1.369 117.099 115.700 0.049 0.000 3.877 137 S HA -0.134 4.336 4.470 0.000 0.000 0.520 137 S C -0.257 174.380 174.600 0.062 0.000 0.778 137 S CA 0.654 58.882 58.200 0.045 0.000 1.362 137 S CB -1.456 61.773 63.200 0.049 0.000 0.850 137 S HN 0.753 nan 8.310 nan 0.000 0.695 138 T N 2.431 117.016 114.554 0.052 0.000 2.889 138 T HA 0.644 4.994 4.350 0.000 0.000 0.315 138 T C -0.740 173.993 174.700 0.055 0.000 1.291 138 T CA -0.541 61.607 62.100 0.079 0.000 1.028 138 T CB 1.835 70.791 68.868 0.147 0.000 1.235 138 T HN 0.565 nan 8.240 nan 0.000 0.491 139 c N 2.250 120.889 118.600 0.065 0.000 2.609 139 c HA 0.904 5.474 4.570 0.000 0.000 0.313 139 c C -0.903 173.217 174.090 0.050 0.000 1.175 139 c CA -0.528 55.823 56.329 0.037 0.000 1.434 139 c CB -0.066 42.444 42.510 0.000 0.000 2.005 139 c HN 0.881 nan 8.230 nan 0.000 0.471 140 I N 2.979 123.552 120.570 0.006 0.000 2.746 140 I HA 0.214 4.384 4.170 0.000 0.000 0.290 140 I C -2.780 173.185 176.117 -0.254 0.000 1.600 140 I CA -1.300 59.940 61.300 -0.100 0.000 1.019 140 I CB 2.536 40.566 38.000 0.050 0.000 1.426 140 I HN 0.260 nan 8.210 nan 0.000 0.460 141 P HA 0.129 nan 4.420 nan 0.000 0.269 141 P C -0.053 177.057 177.300 -0.316 0.000 1.252 141 P CA 0.109 62.934 63.100 -0.458 0.000 0.780 141 P CB 0.505 31.855 31.700 -0.583 0.000 0.829 142 Q N 3.722 123.460 119.800 -0.103 0.000 2.424 142 Q HA -0.030 4.310 4.340 0.000 0.000 0.164 142 Q C 0.422 176.417 176.000 -0.008 0.000 1.120 142 Q CA 1.242 57.034 55.803 -0.018 0.000 0.927 142 Q CB -1.548 27.210 28.738 0.034 0.000 1.646 142 Q HN 0.620 nan 8.270 nan 0.000 0.453 143 L N -2.559 118.665 121.223 0.001 0.000 3.826 143 L HA 0.206 4.546 4.340 0.000 0.000 0.362 143 L C -0.004 177.219 176.870 0.589 0.000 1.235 143 L CA -0.389 54.567 54.840 0.192 0.000 1.207 143 L CB 0.678 42.845 42.059 0.180 0.000 1.518 143 L HN 0.669 nan 8.230 nan 0.000 0.628 144 W N 1.440 122.773 121.300 0.055 0.000 2.693 144 W HA 0.507 5.167 4.660 0.000 0.000 0.415 144 W C 0.931 177.462 176.519 0.019 0.000 0.932 144 W CA -1.610 55.770 57.345 0.059 0.000 2.200 144 W CB -0.305 29.239 29.460 0.140 0.000 1.188 144 W HN -0.019 nan 8.180 nan 0.000 0.665 145 A N 0.197 123.135 122.820 0.196 0.000 2.524 145 A HA 0.196 4.516 4.320 0.000 0.000 0.271 145 A C 1.194 178.782 177.584 0.006 0.000 1.097 145 A CA 0.632 52.696 52.037 0.044 0.000 0.791 145 A CB -0.816 18.195 19.000 0.018 0.000 1.028 145 A HN 0.567 nan 8.150 nan 0.000 0.518 146 c N 2.446 121.032 118.600 -0.023 0.000 3.989 146 c HA -0.141 4.429 4.570 0.000 0.000 0.297 146 c C 0.570 174.665 174.090 0.009 0.000 1.435 146 c CA 0.506 56.821 56.329 -0.023 0.000 2.040 146 c CB -3.040 39.436 42.510 -0.057 0.000 1.308 146 c HN 0.980 nan 8.230 nan 0.000 0.704 147 D N 0.197 120.633 120.400 0.059 0.000 2.360 147 D HA 0.084 4.724 4.640 0.000 0.000 0.242 147 D C 0.703 177.016 176.300 0.022 0.000 1.184 147 D CA -0.829 53.174 54.000 0.005 0.000 0.930 147 D CB 0.326 41.137 40.800 0.018 0.000 1.161 147 D HN 0.532 nan 8.370 nan 0.000 0.447 148 N N -0.268 118.404 118.700 -0.046 0.000 2.471 148 N HA -0.117 4.623 4.740 0.000 0.000 0.205 148 N C -0.690 174.963 175.510 0.240 0.000 1.251 148 N CA -0.160 52.938 53.050 0.080 0.000 0.843 148 N CB 0.089 38.621 38.487 0.076 0.000 1.044 148 N HN 0.334 nan 8.380 nan 0.000 0.461 149 D N 1.242 121.774 120.400 0.219 0.000 2.472 149 D HA 0.263 4.903 4.640 0.000 0.000 0.234 149 D C -2.632 173.812 176.300 0.240 0.000 1.088 149 D CA -2.129 52.023 54.000 0.253 0.000 0.882 149 D CB 1.350 42.216 40.800 0.109 0.000 1.037 149 D HN 0.052 nan 8.370 nan 0.000 0.520 150 P HA -0.012 nan 4.420 nan 0.000 0.264 150 P C -0.401 177.172 177.300 0.455 0.000 1.173 150 P CA 0.566 63.849 63.100 0.305 0.000 0.761 150 P CB 0.485 32.302 31.700 0.195 0.000 0.794 151 D N -0.400 120.287 120.400 0.478 0.000 3.048 151 D HA 0.055 4.695 4.640 0.000 0.000 0.290 151 D C -1.016 175.632 176.300 0.581 0.000 1.667 151 D CA -0.213 54.253 54.000 0.777 0.000 0.835 151 D CB -1.142 40.217 40.800 0.933 0.000 1.438 151 D HN 0.319 nan 8.370 nan 0.000 0.463 152 c N 1.182 120.022 118.600 0.399 0.000 2.455 152 c HA 0.556 5.126 4.570 0.000 0.000 0.321 152 c C 0.037 174.279 174.090 0.253 0.000 1.102 152 c CA -0.616 55.912 56.329 0.332 0.000 1.413 152 c CB 0.860 43.558 42.510 0.312 0.000 1.952 152 c HN 0.130 nan 8.230 nan 0.000 0.428 153 E N 3.056 123.398 120.200 0.238 0.000 2.214 153 E HA 0.051 4.401 4.350 0.000 0.000 0.291 153 E C 0.236 176.925 176.600 0.149 0.000 1.137 153 E CA 1.114 57.615 56.400 0.167 0.000 1.175 153 E CB -0.609 29.182 29.700 0.151 0.000 1.071 153 E HN 0.871 nan 8.360 nan 0.000 0.467 154 D N 0.994 121.481 120.400 0.145 0.000 3.908 154 D HA -0.178 4.462 4.640 0.000 0.000 0.237 154 D C 0.487 176.918 176.300 0.218 0.000 1.091 154 D CA 1.570 55.645 54.000 0.125 0.000 1.147 154 D CB -0.903 39.911 40.800 0.024 0.000 0.857 154 D HN 0.638 nan 8.370 nan 0.000 0.410 155 G N 1.166 110.159 108.800 0.322 0.000 3.034 155 G HA2 0.188 4.148 3.960 0.000 0.000 0.222 155 G HA3 0.188 4.148 3.960 0.000 0.000 0.222 155 G C 0.337 175.543 174.900 0.511 0.000 0.980 155 G CA 0.523 45.957 45.100 0.557 0.000 1.008 155 G HN 1.269 nan 8.290 nan 0.000 0.632 156 S N -0.160 115.751 115.700 0.351 0.000 3.101 156 S HA 0.400 4.870 4.470 0.000 0.000 0.252 156 S C 0.453 174.895 174.600 -0.263 0.000 0.920 156 S CA 0.858 59.112 58.200 0.089 0.000 1.158 156 S CB 0.336 63.867 63.200 0.553 0.000 1.125 156 S HN 0.830 nan 8.310 nan 0.000 0.608 157 D N -0.071 120.301 120.400 -0.046 0.000 3.042 157 D HA -0.013 4.627 4.640 0.000 0.000 0.512 157 D C -0.356 175.981 176.300 0.062 0.000 0.886 157 D CA -0.078 53.895 54.000 -0.044 0.000 1.043 157 D CB -0.778 40.056 40.800 0.056 0.000 1.677 157 D HN 0.476 nan 8.370 nan 0.000 0.301 158 E N 0.289 120.570 120.200 0.135 0.000 3.364 158 E HA 0.225 4.575 4.350 0.000 0.000 0.305 158 E C -1.728 175.080 176.600 0.348 0.000 1.141 158 E CA -0.245 56.272 56.400 0.196 0.000 1.079 158 E CB 0.479 30.276 29.700 0.162 0.000 1.343 158 E HN 0.304 nan 8.360 nan 0.000 0.391 159 W N 2.458 123.783 121.300 0.041 0.000 1.436 159 W HA 0.138 4.798 4.660 0.000 0.000 0.321 159 W C -2.809 173.745 176.519 0.059 0.000 1.022 159 W CA -1.341 56.043 57.345 0.065 0.000 0.796 159 W CB 0.897 30.415 29.460 0.095 0.000 0.726 159 W HN 0.013 nan 8.180 nan 0.000 0.317 160 P HA -0.188 nan 4.420 nan 0.000 0.067 160 P C 0.384 177.475 177.300 -0.348 0.000 0.748 160 P CA 1.393 64.411 63.100 -0.138 0.000 0.984 160 P CB -0.471 31.199 31.700 -0.051 0.000 1.664 161 Q N 0.155 119.796 119.800 -0.265 0.000 2.936 161 Q HA 0.523 4.863 4.340 0.000 0.000 0.383 161 Q C 0.956 176.937 176.000 -0.033 0.000 1.167 161 Q CA 0.193 55.878 55.803 -0.196 0.000 1.038 161 Q CB -0.677 28.022 28.738 -0.065 0.000 1.409 161 Q HN 0.431 nan 8.270 nan 0.000 0.448 162 R N -2.140 118.315 120.500 -0.076 0.000 3.493 162 R HA -0.096 4.244 4.340 0.000 0.000 0.297 162 R C 0.252 176.537 176.300 -0.026 0.000 1.145 162 R CA 0.530 56.609 56.100 -0.035 0.000 0.792 162 R CB -3.088 27.211 30.300 -0.001 0.000 1.368 162 R HN 1.042 nan 8.270 nan 0.000 0.454 163 c N 0.430 119.001 118.600 -0.048 0.000 2.470 163 c HA 0.723 5.293 4.570 0.000 0.000 0.350 163 c C 1.615 175.690 174.090 -0.026 0.000 1.341 163 c CA -0.496 55.800 56.329 -0.056 0.000 2.440 163 c CB 1.189 43.665 42.510 -0.057 0.000 2.295 163 c HN 0.894 nan 8.230 nan 0.000 0.645 164 R N -0.068 120.420 120.500 -0.020 0.000 2.652 164 R HA 0.425 4.765 4.340 0.000 0.000 0.271 164 R C 0.912 177.225 176.300 0.021 0.000 1.129 164 R CA 1.049 57.148 56.100 -0.001 0.000 1.200 164 R CB 0.118 30.418 30.300 -0.000 0.000 1.146 164 R HN 1.150 nan 8.270 nan 0.000 0.581 165 G N 1.276 110.098 108.800 0.037 0.000 2.171 165 G HA2 -0.207 3.754 3.960 0.000 0.000 0.238 165 G HA3 -0.207 3.754 3.960 0.000 0.000 0.238 165 G C 0.114 175.067 174.900 0.087 0.000 1.039 165 G CA 0.109 45.246 45.100 0.061 0.000 0.759 165 G HN 0.502 nan 8.290 nan 0.000 0.501 166 L N -0.214 121.064 121.223 0.092 0.000 2.737 166 L HA 0.447 4.787 4.340 0.000 0.000 0.236 166 L C 0.070 177.195 176.870 0.425 0.000 1.219 166 L CA -0.328 54.607 54.840 0.159 0.000 1.021 166 L CB -0.011 42.086 42.059 0.063 0.000 1.291 166 L HN 0.242 nan 8.230 nan 0.000 0.470 167 Y N -1.059 119.259 120.300 0.031 0.000 2.504 167 Y HA 0.332 4.882 4.550 0.000 0.000 0.344 167 Y C -0.022 175.924 175.900 0.078 0.000 1.023 167 Y CA -1.799 56.329 58.100 0.047 0.000 1.020 167 Y CB 1.948 40.436 38.460 0.047 0.000 1.282 167 Y HN -0.208 nan 8.280 nan 0.000 0.454 168 V N 2.398 122.081 119.914 -0.386 0.000 2.811 168 V HA 0.587 4.707 4.120 0.000 0.000 0.302 168 V C -0.848 175.267 176.094 0.035 0.000 1.063 168 V CA 0.137 62.319 62.300 -0.197 0.000 1.088 168 V CB 1.035 32.658 31.823 -0.334 0.000 0.982 168 V HN 0.776 nan 8.190 nan 0.000 0.485 169 F N 0.820 120.706 119.950 -0.107 0.000 4.454 169 F HA 0.324 4.851 4.527 0.000 0.000 0.336 169 F C 0.262 176.034 175.800 -0.047 0.000 1.035 169 F CA -0.489 57.472 58.000 -0.065 0.000 0.840 169 F CB 0.994 39.970 39.000 -0.039 0.000 1.909 169 F HN 0.524 nan 8.300 nan 0.000 0.502 170 Q N 1.205 121.361 119.800 0.593 0.000 2.736 170 Q HA 0.329 4.669 4.340 0.000 0.000 0.234 170 Q C 0.442 176.526 176.000 0.141 0.000 1.354 170 Q CA 0.996 57.001 55.803 0.338 0.000 0.891 170 Q CB -0.668 28.375 28.738 0.509 0.000 1.665 170 Q HN 0.933 nan 8.270 nan 0.000 0.563 171 G N 2.651 111.488 108.800 0.062 0.000 2.157 171 G HA2 -0.213 3.748 3.960 0.000 0.000 0.248 171 G HA3 -0.213 3.748 3.960 0.000 0.000 0.248 171 G C -0.286 174.626 174.900 0.021 0.000 0.979 171 G CA 0.100 45.219 45.100 0.033 0.000 0.650 171 G HN 0.611 nan 8.290 nan 0.000 0.529 172 D N 1.021 121.435 120.400 0.023 0.000 2.358 172 D HA 0.436 5.076 4.640 0.000 0.000 0.253 172 D C 0.209 176.504 176.300 -0.008 0.000 1.288 172 D CA -0.021 53.983 54.000 0.006 0.000 0.950 172 D CB 0.672 41.479 40.800 0.011 0.000 1.197 172 D HN 0.134 nan 8.370 nan 0.000 0.550 173 S N 1.603 117.287 115.700 -0.026 0.000 2.465 173 S HA 0.285 4.755 4.470 0.000 0.000 0.307 173 S C 0.415 174.975 174.600 -0.066 0.000 1.187 173 S CA -0.455 57.720 58.200 -0.042 0.000 1.141 173 S CB 0.216 63.387 63.200 -0.049 0.000 1.108 173 S HN 0.380 nan 8.310 nan 0.000 0.525 174 S N 2.756 118.425 115.700 -0.050 0.000 2.397 174 S HA 0.340 4.810 4.470 0.000 0.000 0.190 174 S C -3.130 171.453 174.600 -0.028 0.000 1.100 174 S CA -1.161 56.998 58.200 -0.069 0.000 1.150 174 S CB 0.139 63.306 63.200 -0.055 0.000 1.302 174 S HN 0.348 nan 8.310 nan 0.000 0.417 175 P HA 0.348 nan 4.420 nan 0.000 0.252 175 P C -1.055 176.291 177.300 0.075 0.000 1.635 175 P CA 0.032 63.157 63.100 0.041 0.000 1.206 175 P CB -0.427 31.306 31.700 0.055 0.000 1.911 176 c N 1.467 120.112 118.600 0.076 0.000 3.018 176 c HA 0.147 4.717 4.570 0.000 0.000 0.413 176 c C 0.772 174.914 174.090 0.087 0.000 1.015 176 c CA -0.657 55.725 56.329 0.089 0.000 1.233 176 c CB 0.485 43.046 42.510 0.085 0.000 1.630 176 c HN 0.387 nan 8.230 nan 0.000 0.532 177 S N 4.083 119.841 115.700 0.096 0.000 3.902 177 S HA 0.246 4.716 4.470 0.000 0.000 0.176 177 S C 1.084 175.751 174.600 0.112 0.000 1.153 177 S CA 0.431 58.687 58.200 0.092 0.000 0.954 177 S CB -0.768 62.480 63.200 0.079 0.000 1.530 177 S HN 1.570 nan 8.310 nan 0.000 0.445 178 A N 2.939 125.822 122.820 0.105 0.000 2.577 178 A HA 0.005 4.325 4.320 0.000 0.000 0.289 178 A C 0.175 177.857 177.584 0.163 0.000 1.337 178 A CA 0.373 52.476 52.037 0.110 0.000 1.022 178 A CB -0.974 18.067 19.000 0.068 0.000 0.960 178 A HN 0.838 nan 8.150 nan 0.000 0.570 179 F N 1.180 121.136 119.950 0.010 0.000 2.850 179 F HA 0.355 4.882 4.527 0.000 0.000 0.329 179 F C 0.053 175.855 175.800 0.002 0.000 1.182 179 F CA -0.074 57.930 58.000 0.007 0.000 1.270 179 F CB 0.324 39.325 39.000 0.002 0.000 0.979 179 F HN 0.516 nan 8.300 nan 0.000 0.506 180 E N -0.337 119.909 120.200 0.077 0.000 2.442 180 E HA 0.424 4.774 4.350 0.000 0.000 0.278 180 E C -1.320 175.288 176.600 0.014 0.000 1.082 180 E CA -0.424 55.992 56.400 0.028 0.000 0.861 180 E CB 0.647 30.373 29.700 0.043 0.000 1.462 180 E HN -0.131 nan 8.360 nan 0.000 0.458 181 F N 0.498 120.442 119.950 -0.009 0.000 2.460 181 F HA 0.551 5.078 4.527 0.000 0.000 0.341 181 F C -0.167 175.650 175.800 0.028 0.000 1.130 181 F CA -0.957 57.048 58.000 0.008 0.000 0.962 181 F CB 0.830 39.820 39.000 -0.017 0.000 1.171 181 F HN 0.595 nan 8.300 nan 0.000 0.436 182 H N 2.762 121.816 119.070 -0.027 0.000 2.511 182 H HA 0.619 5.175 4.556 0.000 0.000 0.346 182 H C 0.169 175.484 175.328 -0.023 0.000 1.128 182 H CA -0.111 55.923 56.048 -0.023 0.000 1.342 182 H CB 1.580 31.339 29.762 -0.006 0.000 1.470 182 H HN 1.129 nan 8.280 nan 0.000 0.546 183 c N 1.910 120.145 118.600 -0.609 0.000 3.028 183 c HA 0.718 5.288 4.570 0.000 0.000 0.338 183 c C 1.310 175.150 174.090 -0.417 0.000 1.366 183 c CA -0.436 55.683 56.329 -0.350 0.000 1.610 183 c CB 0.368 42.760 42.510 -0.196 0.000 2.063 183 c HN 0.986 nan 8.230 nan 0.000 0.463 184 L N 0.282 121.421 121.223 -0.139 0.000 2.715 184 L HA 0.639 4.980 4.340 0.000 0.000 0.238 184 L C 0.871 177.695 176.870 -0.076 0.000 1.212 184 L CA 1.374 56.177 54.840 -0.063 0.000 1.017 184 L CB -1.836 40.223 42.059 -0.000 0.000 1.269 184 L HN 1.095 nan 8.230 nan 0.000 0.452 185 S N -0.840 114.782 115.700 -0.130 0.000 2.835 185 S HA 0.564 5.034 4.470 0.000 0.000 0.140 185 S C -0.051 174.480 174.600 -0.116 0.000 1.131 185 S CA 0.737 58.882 58.200 -0.090 0.000 1.110 185 S CB -0.695 62.468 63.200 -0.060 0.000 1.683 185 S HN 2.579 nan 8.310 nan 0.000 0.473 186 G N 2.402 111.118 108.800 -0.141 0.000 2.525 186 G HA2 0.129 4.090 3.960 0.000 0.000 0.685 186 G HA3 0.129 4.090 3.960 0.000 0.000 0.685 186 G C -1.503 173.265 174.900 -0.221 0.000 1.290 186 G CA -0.602 44.419 45.100 -0.130 0.000 0.915 186 G HN 0.548 nan 8.290 nan 0.000 0.548 187 E N -1.103 119.011 120.200 -0.144 0.000 2.316 187 E HA 0.591 4.941 4.350 0.000 0.000 0.258 187 E C 1.418 177.949 176.600 -0.115 0.000 0.952 187 E CA 0.020 56.342 56.400 -0.129 0.000 0.818 187 E CB 0.710 30.407 29.700 -0.004 0.000 1.260 187 E HN 1.556 nan 8.360 nan 0.000 0.416 188 c N 0.208 118.764 118.600 -0.072 0.000 2.833 188 c HA 0.194 4.764 4.570 0.000 0.000 0.394 188 c C 0.811 174.784 174.090 -0.195 0.000 1.229 188 c CA -0.583 55.687 56.329 -0.098 0.000 1.826 188 c CB -1.192 41.308 42.510 -0.016 0.000 2.659 188 c HN 0.510 nan 8.230 nan 0.000 0.675 189 I N -0.689 119.715 120.570 -0.278 0.000 2.969 189 I HA 0.423 4.593 4.170 0.000 0.000 0.307 189 I C 0.354 176.267 176.117 -0.339 0.000 1.149 189 I CA -0.771 60.197 61.300 -0.554 0.000 1.008 189 I CB 1.035 38.411 38.000 -1.040 0.000 1.232 189 I HN 0.740 nan 8.210 nan 0.000 0.435 190 H N 1.409 120.242 119.070 -0.396 0.000 2.730 190 H HA -0.003 4.553 4.556 0.000 0.000 0.376 190 H C 0.750 176.427 175.328 0.583 0.000 1.299 190 H CA 0.891 57.128 56.048 0.315 0.000 1.447 190 H CB 0.798 30.996 29.762 0.727 0.000 1.493 190 H HN 0.881 nan 8.280 nan 0.000 0.619 191 S N 0.866 116.879 115.700 0.522 0.000 3.246 191 S HA -0.304 4.166 4.470 0.000 0.000 0.397 191 S C 0.703 175.513 174.600 0.351 0.000 0.944 191 S CA 0.818 59.219 58.200 0.335 0.000 1.198 191 S CB -1.725 61.617 63.200 0.236 0.000 0.874 191 S HN 0.884 nan 8.310 nan 0.000 0.459 192 S N -0.542 115.317 115.700 0.266 0.000 3.486 192 S HA -0.172 4.298 4.470 0.000 0.000 0.371 192 S C 0.570 175.334 174.600 0.273 0.000 1.001 192 S CA 0.949 59.241 58.200 0.153 0.000 1.164 192 S CB -2.136 61.094 63.200 0.051 0.000 0.911 192 S HN 0.958 nan 8.310 nan 0.000 0.472 193 W N 0.099 121.402 121.300 0.004 0.000 3.168 193 W HA 0.160 4.820 4.660 0.000 0.000 0.301 193 W C 1.149 177.658 176.519 -0.017 0.000 1.327 193 W CA 0.036 57.373 57.345 -0.014 0.000 1.352 193 W CB -2.565 26.881 29.460 -0.024 0.000 1.054 193 W HN 0.725 nan 8.180 nan 0.000 0.672 194 R N -0.426 120.162 120.500 0.146 0.000 2.308 194 R HA 0.444 4.784 4.340 0.000 0.000 0.305 194 R C 0.771 177.107 176.300 0.060 0.000 1.053 194 R CA 0.062 56.202 56.100 0.068 0.000 0.957 194 R CB -0.797 29.520 30.300 0.027 0.000 1.022 194 R HN 0.555 nan 8.270 nan 0.000 0.461 195 c N 2.002 120.628 118.600 0.044 0.000 4.028 195 c HA -0.115 4.455 4.570 0.000 0.000 0.300 195 c C 0.760 174.869 174.090 0.032 0.000 1.399 195 c CA 0.580 56.926 56.329 0.028 0.000 2.051 195 c CB -2.550 39.969 42.510 0.014 0.000 1.318 195 c HN 1.039 nan 8.230 nan 0.000 0.696 196 D N -0.751 119.680 120.400 0.052 0.000 2.427 196 D HA 0.388 5.028 4.640 0.000 0.000 0.224 196 D C 1.407 177.712 176.300 0.008 0.000 1.157 196 D CA 0.651 54.673 54.000 0.036 0.000 0.828 196 D CB -0.034 40.809 40.800 0.072 0.000 0.974 196 D HN 1.109 nan 8.370 nan 0.000 0.498 197 G N -0.244 108.561 108.800 0.008 0.000 2.498 197 G HA2 -0.212 3.748 3.960 0.000 0.000 0.229 197 G HA3 -0.212 3.748 3.960 0.000 0.000 0.229 197 G C 0.699 175.599 174.900 -0.001 0.000 1.156 197 G CA 0.006 45.103 45.100 -0.005 0.000 0.680 197 G HN 0.830 nan 8.290 nan 0.000 0.512 198 G N 0.930 109.736 108.800 0.009 0.000 2.372 198 G HA2 0.575 4.536 3.960 0.000 0.000 0.283 198 G HA3 0.575 4.536 3.960 0.000 0.000 0.283 198 G C -2.210 172.715 174.900 0.042 0.000 1.177 198 G CA -0.857 44.254 45.100 0.018 0.000 0.842 198 G HN 0.163 nan 8.290 nan 0.000 0.503 199 P HA 0.078 nan 4.420 nan 0.000 0.238 199 P C -0.084 177.240 177.300 0.040 0.000 1.679 199 P CA 0.296 63.410 63.100 0.024 0.000 1.080 199 P CB 0.326 32.030 31.700 0.007 0.000 1.961 200 D N -1.070 119.365 120.400 0.059 0.000 2.500 200 D HA -0.008 4.632 4.640 0.000 0.000 0.217 200 D C 0.012 176.319 176.300 0.013 0.000 1.159 200 D CA -0.239 53.800 54.000 0.065 0.000 0.828 200 D CB -0.731 40.165 40.800 0.160 0.000 1.039 200 D HN 0.125 nan 8.370 nan 0.000 0.512 201 c N 1.425 120.016 118.600 -0.014 0.000 2.652 201 c HA 0.299 4.869 4.570 0.000 0.000 0.412 201 c C 1.485 175.556 174.090 -0.031 0.000 1.294 201 c CA -0.379 55.919 56.329 -0.053 0.000 2.127 201 c CB 0.066 42.536 42.510 -0.068 0.000 2.691 201 c HN 0.292 nan 8.230 nan 0.000 0.615 202 K N 1.943 122.322 120.400 -0.035 0.000 2.591 202 K HA 0.058 4.378 4.320 0.000 0.000 0.197 202 K C 0.105 176.692 176.600 -0.021 0.000 1.026 202 K CA 0.625 56.901 56.287 -0.018 0.000 1.127 202 K CB -0.161 32.332 32.500 -0.012 0.000 0.871 202 K HN 0.716 nan 8.250 nan 0.000 0.507 203 D N 0.689 121.072 120.400 -0.027 0.000 3.100 203 D HA 0.066 4.706 4.640 0.000 0.000 0.350 203 D C -0.901 175.387 176.300 -0.021 0.000 1.310 203 D CA -0.088 53.898 54.000 -0.022 0.000 0.741 203 D CB 0.323 41.108 40.800 -0.026 0.000 1.248 203 D HN 0.084 nan 8.370 nan 0.000 0.527 204 K N -0.219 120.171 120.400 -0.016 0.000 3.016 204 K HA -0.159 4.161 4.320 0.000 0.000 0.262 204 K C -0.122 176.469 176.600 -0.016 0.000 1.043 204 K CA 0.506 56.785 56.287 -0.013 0.000 0.761 204 K CB -1.246 31.248 32.500 -0.010 0.000 1.230 204 K HN 0.017 nan 8.250 nan 0.000 0.485 205 S N 0.335 116.019 115.700 -0.026 0.000 2.506 205 S HA 0.053 4.523 4.470 0.000 0.000 0.245 205 S C -0.177 174.406 174.600 -0.029 0.000 1.088 205 S CA -0.485 57.696 58.200 -0.032 0.000 1.099 205 S CB 0.343 63.507 63.200 -0.060 0.000 0.805 205 S HN 0.375 nan 8.310 nan 0.000 0.461 206 D N 1.864 122.255 120.400 -0.014 0.000 2.507 206 D HA 0.085 4.725 4.640 0.000 0.000 0.280 206 D C 0.601 176.903 176.300 0.004 0.000 1.219 206 D CA -0.607 53.392 54.000 -0.002 0.000 1.085 206 D CB 0.583 41.387 40.800 0.007 0.000 1.134 206 D HN 0.241 nan 8.370 nan 0.000 0.583 207 E N 0.421 120.630 120.200 0.016 0.000 3.603 207 E HA -0.103 4.247 4.350 0.000 0.000 0.281 207 E C -0.551 176.054 176.600 0.008 0.000 1.407 207 E CA 0.283 56.693 56.400 0.016 0.000 1.463 207 E CB -0.472 29.244 29.700 0.026 0.000 1.211 207 E HN 0.124 nan 8.360 nan 0.000 0.440 208 E N 1.929 122.131 120.200 0.004 0.000 2.155 208 E HA 0.164 4.514 4.350 0.000 0.000 0.264 208 E C -0.916 175.685 176.600 0.001 0.000 0.886 208 E CA -0.697 55.704 56.400 0.001 0.000 0.752 208 E CB 0.357 30.057 29.700 -0.000 0.000 1.133 208 E HN 0.184 nan 8.360 nan 0.000 0.414 209 N N 3.053 121.754 118.700 0.000 0.000 2.699 209 N HA -0.161 4.580 4.740 0.000 0.000 0.257 209 N C -0.790 174.720 175.510 -0.000 0.000 1.077 209 N CA 1.126 54.176 53.050 -0.000 0.000 0.702 209 N CB -1.732 36.755 38.487 -0.000 0.000 0.886 209 N HN 0.542 nan 8.380 nan 0.000 0.549 210 c N -2.071 116.528 118.600 -0.001 0.000 3.025 210 c HA 0.667 5.237 4.570 0.000 0.000 0.240 210 c C 1.161 175.249 174.090 -0.003 0.000 2.061 210 c CA -0.840 55.487 56.329 -0.002 0.000 1.571 210 c CB -0.537 41.972 42.510 -0.001 0.000 3.075 210 c HN 0.662 nan 8.230 nan 0.000 0.479 211 A N 1.767 124.585 122.820 -0.003 0.000 2.785 211 A HA 0.486 4.806 4.320 0.000 0.000 0.294 211 A C 0.574 178.155 177.584 -0.005 0.000 1.597 211 A CA 0.182 52.217 52.037 -0.003 0.000 1.283 211 A CB -0.612 18.387 19.000 -0.002 0.000 1.088 211 A HN 1.501 nan 8.150 nan 0.000 0.568 212 V N 0.995 120.905 119.914 -0.006 0.000 2.529 212 V HA 0.551 4.671 4.120 0.000 0.000 0.292 212 V C 0.751 176.841 176.094 -0.007 0.000 1.028 212 V CA -0.465 61.830 62.300 -0.009 0.000 1.074 212 V CB -0.253 31.562 31.823 -0.013 0.000 0.958 212 V HN 1.011 nan 8.190 nan 0.000 0.481 213 A N 3.929 126.745 122.820 -0.007 0.000 2.272 213 A HA 0.603 4.923 4.320 0.000 0.000 0.275 213 A C 0.746 178.330 177.584 0.001 0.000 1.096 213 A CA -0.345 51.690 52.037 -0.003 0.000 0.822 213 A CB 0.036 19.034 19.000 -0.002 0.000 1.088 213 A HN 1.002 nan 8.150 nan 0.000 0.495 214 T N 1.779 116.337 114.554 0.007 0.000 2.771 214 T HA 0.281 4.631 4.350 0.000 0.000 0.277 214 T C 0.465 175.173 174.700 0.014 0.000 0.919 214 T CA 0.147 62.256 62.100 0.015 0.000 1.163 214 T CB -1.563 67.315 68.868 0.017 0.000 0.876 214 T HN 0.769 nan 8.240 nan 0.000 0.545 215 c N 4.992 123.601 118.600 0.016 0.000 2.585 215 c HA 0.431 5.001 4.570 0.000 0.000 0.406 215 c C 1.098 175.205 174.090 0.028 0.000 1.312 215 c CA -1.713 54.625 56.329 0.015 0.000 1.924 215 c CB -0.546 41.969 42.510 0.009 0.000 2.578 215 c HN 0.903 nan 8.230 nan 0.000 0.580 216 R N 1.841 122.355 120.500 0.022 0.000 2.483 216 R HA 0.214 4.555 4.340 0.000 0.000 0.329 216 R C -2.544 173.782 176.300 0.045 0.000 0.961 216 R CA -0.644 55.473 56.100 0.028 0.000 1.041 216 R CB -0.814 29.498 30.300 0.019 0.000 0.930 216 R HN 0.499 nan 8.270 nan 0.000 0.413 217 P HA -0.097 nan 4.420 nan 0.000 0.253 217 P C -0.542 176.802 177.300 0.073 0.000 1.159 217 P CA 0.892 64.033 63.100 0.069 0.000 0.779 217 P CB 0.285 32.018 31.700 0.056 0.000 0.745 218 D N 1.483 121.943 120.400 0.100 0.000 3.478 218 D HA -0.000 4.640 4.640 0.000 0.000 0.329 218 D C -0.275 176.107 176.300 0.137 0.000 1.124 218 D CA 0.173 54.233 54.000 0.101 0.000 0.888 218 D CB 0.333 41.203 40.800 0.117 0.000 1.789 218 D HN 0.497 nan 8.370 nan 0.000 0.318 219 E N -0.135 120.161 120.200 0.160 0.000 2.429 219 E HA 0.395 4.745 4.350 0.000 0.000 0.277 219 E C -1.498 175.244 176.600 0.237 0.000 1.130 219 E CA -0.719 55.796 56.400 0.192 0.000 0.875 219 E CB 1.624 31.473 29.700 0.249 0.000 1.443 219 E HN -0.065 nan 8.360 nan 0.000 0.444 220 F N -0.528 119.455 119.950 0.054 0.000 2.779 220 F HA 0.558 5.086 4.527 0.000 0.000 0.316 220 F C -1.797 174.024 175.800 0.035 0.000 1.164 220 F CA -0.838 57.183 58.000 0.036 0.000 0.924 220 F CB 1.231 40.244 39.000 0.023 0.000 1.348 220 F HN 0.533 nan 8.300 nan 0.000 0.467 221 Q N 1.310 121.172 119.800 0.102 0.000 2.293 221 Q HA 0.535 4.875 4.340 0.000 0.000 0.261 221 Q C -1.522 174.603 176.000 0.208 0.000 0.960 221 Q CA -0.743 55.039 55.803 -0.035 0.000 0.882 221 Q CB 1.723 30.487 28.738 0.043 0.000 1.275 221 Q HN 0.856 nan 8.270 nan 0.000 0.445 222 c N 3.907 122.528 118.600 0.035 0.000 2.700 222 c HA 0.240 4.810 4.570 0.000 0.000 0.529 222 c C 0.471 174.621 174.090 0.098 0.000 1.093 222 c CA 0.441 56.876 56.329 0.176 0.000 1.320 222 c CB -1.975 40.590 42.510 0.092 0.000 1.478 222 c HN 1.094 nan 8.230 nan 0.000 0.598 223 S N -0.472 115.290 115.700 0.104 0.000 3.631 223 S HA -0.072 4.398 4.470 0.000 0.000 0.366 223 S C -0.575 174.042 174.600 0.029 0.000 0.993 223 S CA 1.330 59.565 58.200 0.059 0.000 1.167 223 S CB -2.203 61.027 63.200 0.050 0.000 0.909 223 S HN 1.568 nan 8.310 nan 0.000 0.478 224 D N -1.477 118.937 120.400 0.023 0.000 2.555 224 D HA 0.611 5.251 4.640 0.000 0.000 0.209 224 D C 0.784 177.082 176.300 -0.003 0.000 1.043 224 D CA 0.111 54.113 54.000 0.004 0.000 0.836 224 D CB -0.607 40.189 40.800 -0.007 0.000 3.236 224 D HN 1.510 nan 8.370 nan 0.000 0.467 225 G N 0.520 109.317 108.800 -0.005 0.000 2.912 225 G HA2 -0.173 3.787 3.960 0.000 0.000 0.210 225 G HA3 -0.173 3.787 3.960 0.000 0.000 0.210 225 G C 0.595 175.473 174.900 -0.036 0.000 1.148 225 G CA 0.715 45.808 45.100 -0.011 0.000 0.747 225 G HN 0.639 nan 8.290 nan 0.000 0.580 226 N N 0.200 118.864 118.700 -0.060 0.000 2.454 226 N HA 0.058 4.798 4.740 0.000 0.000 0.285 226 N C 0.226 175.633 175.510 -0.172 0.000 1.233 226 N CA -0.148 52.841 53.050 -0.102 0.000 1.036 226 N CB -0.096 38.328 38.487 -0.104 0.000 1.423 226 N HN 0.040 nan 8.380 nan 0.000 0.495 227 c N 2.622 121.152 118.600 -0.117 0.000 2.833 227 c HA 0.159 4.729 4.570 0.000 0.000 0.394 227 c C 1.692 175.704 174.090 -0.130 0.000 1.136 227 c CA -0.902 55.362 56.329 -0.108 0.000 1.250 227 c CB -2.717 39.764 42.510 -0.049 0.000 1.848 227 c HN 0.486 nan 8.230 nan 0.000 0.572 228 I N 2.406 122.800 120.570 -0.293 0.000 3.194 228 I HA 0.587 4.757 4.170 0.000 0.000 0.283 228 I C 0.191 176.271 176.117 -0.062 0.000 1.199 228 I CA -0.014 61.122 61.300 -0.274 0.000 1.328 228 I CB 0.243 37.875 38.000 -0.614 0.000 1.404 228 I HN 0.890 nan 8.210 nan 0.000 0.618 229 H N 0.754 119.759 119.070 -0.108 0.000 3.003 229 H HA 0.600 5.156 4.556 0.000 0.000 0.327 229 H C -0.059 175.278 175.328 0.015 0.000 1.353 229 H CA 0.253 56.284 56.048 -0.027 0.000 1.142 229 H CB 1.280 31.021 29.762 -0.035 0.000 1.864 229 H HN 2.528 nan 8.280 nan 0.000 0.529 230 G N 0.688 108.787 108.800 -1.168 0.000 2.752 230 G HA2 -0.198 3.762 3.960 0.000 0.000 0.234 230 G HA3 -0.198 3.762 3.960 0.000 0.000 0.234 230 G C -0.356 174.360 174.900 -0.306 0.000 1.367 230 G CA -0.064 44.558 45.100 -0.797 0.000 0.879 230 G HN 0.899 nan 8.290 nan 0.000 0.563 231 S N -0.233 115.374 115.700 -0.154 0.000 2.921 231 S HA 0.384 4.854 4.470 0.000 0.000 0.244 231 S C 1.359 175.932 174.600 -0.046 0.000 1.291 231 S CA -0.187 57.975 58.200 -0.063 0.000 1.010 231 S CB 0.153 63.342 63.200 -0.017 0.000 1.255 231 S HN 0.587 nan 8.310 nan 0.000 0.492 232 R N 1.982 122.450 120.500 -0.052 0.000 2.389 232 R HA 0.049 4.389 4.340 0.000 0.000 0.210 232 R C 1.490 177.799 176.300 0.015 0.000 1.157 232 R CA 0.313 56.404 56.100 -0.015 0.000 1.169 232 R CB -0.558 29.743 30.300 0.001 0.000 1.004 232 R HN 0.760 nan 8.270 nan 0.000 0.482 233 Q N -0.446 119.364 119.800 0.016 0.000 2.841 233 Q HA -0.031 4.309 4.340 0.000 0.000 0.198 233 Q C 0.434 176.437 176.000 0.004 0.000 1.135 233 Q CA 0.191 56.013 55.803 0.031 0.000 1.167 233 Q CB -0.197 28.557 28.738 0.027 0.000 1.288 233 Q HN 0.502 nan 8.270 nan 0.000 0.670 234 c N 1.869 120.467 118.600 -0.003 0.000 2.250 234 c HA 0.088 4.658 4.570 0.000 0.000 0.442 234 c C 0.264 174.332 174.090 -0.038 0.000 1.366 234 c CA 1.102 57.411 56.329 -0.033 0.000 1.479 234 c CB -2.348 40.138 42.510 -0.039 0.000 2.682 234 c HN 0.902 nan 8.230 nan 0.000 0.618 235 D N -0.599 119.775 120.400 -0.044 0.000 2.672 235 D HA 0.132 4.773 4.640 0.000 0.000 0.287 235 D C 0.879 177.148 176.300 -0.053 0.000 1.559 235 D CA 0.262 54.239 54.000 -0.038 0.000 0.796 235 D CB -0.575 40.211 40.800 -0.023 0.000 1.181 235 D HN 0.550 nan 8.370 nan 0.000 0.458 236 R N 0.217 120.664 120.500 -0.089 0.000 3.656 236 R HA -0.162 4.178 4.340 0.000 0.000 0.297 236 R C -0.223 176.006 176.300 -0.118 0.000 1.166 236 R CA 1.436 57.459 56.100 -0.129 0.000 0.799 236 R CB -3.331 26.919 30.300 -0.083 0.000 1.285 236 R HN 0.353 nan 8.270 nan 0.000 0.477 237 E N 0.089 120.231 120.200 -0.097 0.000 2.183 237 E HA 0.266 4.616 4.350 0.000 0.000 0.250 237 E C -0.904 175.695 176.600 -0.002 0.000 0.901 237 E CA -1.008 55.376 56.400 -0.027 0.000 0.741 237 E CB 0.521 30.225 29.700 0.006 0.000 1.182 237 E HN 0.517 nan 8.360 nan 0.000 0.425 238 Y N 2.555 122.869 120.300 0.022 0.000 2.828 238 Y HA -0.108 4.442 4.550 0.000 0.000 0.364 238 Y C -0.073 175.840 175.900 0.022 0.000 1.277 238 Y CA 0.374 58.489 58.100 0.024 0.000 1.713 238 Y CB 0.225 38.696 38.460 0.018 0.000 1.278 238 Y HN 0.191 nan 8.280 nan 0.000 0.502 239 D N 3.864 124.410 120.400 0.244 0.000 2.375 239 D HA 0.259 4.899 4.640 0.000 0.000 0.259 239 D C -0.254 176.102 176.300 0.093 0.000 1.235 239 D CA -0.203 53.879 54.000 0.137 0.000 0.924 239 D CB 0.785 41.634 40.800 0.081 0.000 1.143 239 D HN 0.600 nan 8.370 nan 0.000 0.529 240 c N -0.143 118.497 118.600 0.068 0.000 4.118 240 c HA 0.399 4.969 4.570 0.000 0.000 0.383 240 c C 0.783 174.863 174.090 -0.017 0.000 3.019 240 c CA -0.004 56.327 56.329 0.003 0.000 1.604 240 c CB -1.498 41.012 42.510 0.000 0.000 2.368 240 c HN 0.646 nan 8.230 nan 0.000 0.317 241 K N -0.344 120.042 120.400 -0.023 0.000 3.156 241 K HA 0.093 4.413 4.320 0.000 0.000 0.266 241 K C -0.027 176.545 176.600 -0.048 0.000 0.966 241 K CA 2.968 59.229 56.287 -0.044 0.000 0.719 241 K CB -2.171 30.305 32.500 -0.040 0.000 1.333 241 K HN 2.184 nan 8.250 nan 0.000 0.468 242 D N -2.248 118.117 120.400 -0.058 0.000 3.250 242 D HA 0.354 4.994 4.640 0.000 0.000 0.360 242 D C 0.048 176.294 176.300 -0.091 0.000 1.486 242 D CA 0.102 54.073 54.000 -0.049 0.000 0.835 242 D CB -0.282 40.531 40.800 0.022 0.000 1.444 242 D HN 0.254 nan 8.370 nan 0.000 0.513 243 M N 0.362 119.976 119.600 0.023 0.000 2.785 243 M HA 0.352 4.832 4.480 0.000 0.000 0.374 243 M C -0.235 176.362 176.300 0.495 0.000 1.221 243 M CA -0.323 55.159 55.300 0.304 0.000 0.912 243 M CB 0.881 33.585 32.600 0.174 0.000 1.355 243 M HN 0.106 nan 8.290 nan 0.000 0.513 244 S N 1.989 117.886 115.700 0.329 0.000 2.891 244 S HA 0.360 4.830 4.470 0.000 0.000 0.186 244 S C -0.731 174.105 174.600 0.394 0.000 1.401 244 S CA -0.351 58.037 58.200 0.313 0.000 1.035 244 S CB 0.201 63.606 63.200 0.342 0.000 1.293 244 S HN 0.334 nan 8.310 nan 0.000 0.493 245 D N 1.427 121.975 120.400 0.247 0.000 2.937 245 D HA 0.192 4.832 4.640 0.000 0.000 0.215 245 D C -1.048 175.252 176.300 0.001 0.000 1.274 245 D CA -0.271 53.845 54.000 0.193 0.000 0.869 245 D CB 1.294 42.195 40.800 0.168 0.000 1.675 245 D HN 0.164 nan 8.370 nan 0.000 0.538 246 E N 0.152 120.332 120.200 -0.034 0.000 2.252 246 E HA -0.138 4.212 4.350 0.000 0.000 0.199 246 E C -0.725 175.807 176.600 -0.112 0.000 1.352 246 E CA 0.584 56.917 56.400 -0.111 0.000 0.682 246 E CB -1.179 28.397 29.700 -0.207 0.000 1.142 246 E HN 0.255 nan 8.360 nan 0.000 0.367 247 V N -2.278 117.602 119.914 -0.057 0.000 2.443 247 V HA 0.825 4.945 4.120 0.000 0.000 0.293 247 V C 1.334 177.401 176.094 -0.044 0.000 1.021 247 V CA -0.458 61.824 62.300 -0.030 0.000 0.848 247 V CB 1.683 33.522 31.823 0.027 0.000 0.998 247 V HN 0.844 nan 8.190 nan 0.000 0.424 248 G N 2.396 111.174 108.800 -0.037 0.000 2.198 248 G HA2 -0.259 3.701 3.960 0.000 0.000 0.260 248 G HA3 -0.259 3.701 3.960 0.000 0.000 0.260 248 G C 0.312 175.185 174.900 -0.046 0.000 1.025 248 G CA 0.146 45.224 45.100 -0.037 0.000 0.769 248 G HN 1.008 nan 8.290 nan 0.000 0.507 249 c N 0.704 119.272 118.600 -0.053 0.000 3.247 249 c HA 0.540 5.111 4.570 0.000 0.000 0.573 249 c C 1.570 175.634 174.090 -0.044 0.000 1.106 249 c CA 0.698 56.994 56.329 -0.054 0.000 1.209 249 c CB -1.290 41.183 42.510 -0.061 0.000 1.460 249 c HN 0.620 nan 8.230 nan 0.000 0.634 250 V N 0.598 120.489 119.914 -0.038 0.000 5.453 250 V HA -0.003 4.117 4.120 0.000 0.000 0.762 250 V C 0.024 176.102 176.094 -0.025 0.000 2.341 250 V CA -0.310 61.972 62.300 -0.030 0.000 3.528 250 V CB -0.663 31.143 31.823 -0.027 0.000 0.928 250 V HN 0.602 nan 8.190 nan 0.000 0.519 251 N N 2.032 120.716 118.700 -0.027 0.000 2.182 251 N HA 0.027 4.767 4.740 0.000 0.000 0.283 251 N C -0.338 175.161 175.510 -0.018 0.000 1.380 251 N CA 0.859 53.896 53.050 -0.021 0.000 0.874 251 N CB 0.824 39.297 38.487 -0.023 0.000 1.190 251 N HN 0.301 nan 8.380 nan 0.000 0.494 252 V N 2.001 121.907 119.914 -0.014 0.000 2.823 252 V HA 0.412 4.532 4.120 0.000 0.000 0.312 252 V C 0.085 176.174 176.094 -0.007 0.000 1.072 252 V CA -0.696 61.598 62.300 -0.011 0.000 0.937 252 V CB 2.527 34.344 31.823 -0.010 0.000 1.013 252 V HN 0.513 nan 8.190 nan 0.000 0.430 253 T N 4.894 119.445 114.554 -0.004 0.000 2.791 253 T HA 0.555 4.906 4.350 0.000 0.000 0.288 253 T C -0.419 174.284 174.700 0.005 0.000 0.999 253 T CA -0.494 61.606 62.100 -0.001 0.000 0.952 253 T CB 0.768 69.636 68.868 -0.001 0.000 0.938 253 T HN 0.478 nan 8.240 nan 0.000 0.444 254 L N 0.590 121.817 121.223 0.005 0.000 2.514 254 L HA 0.257 4.597 4.340 0.000 0.000 0.280 254 L C 0.473 177.353 176.870 0.017 0.000 1.223 254 L CA -0.558 54.289 54.840 0.011 0.000 0.864 254 L CB -0.581 41.482 42.059 0.006 0.000 1.118 254 L HN 0.578 nan 8.230 nan 0.000 0.494 255 c N 3.573 122.191 118.600 0.030 0.000 2.551 255 c HA 0.115 4.685 4.570 0.000 0.000 0.369 255 c C 0.908 175.012 174.090 0.023 0.000 1.154 255 c CA -0.556 55.798 56.329 0.041 0.000 1.456 255 c CB -2.016 40.541 42.510 0.079 0.000 2.037 255 c HN 0.813 nan 8.230 nan 0.000 0.547 256 E N 2.292 122.498 120.200 0.010 0.000 2.166 256 E HA 0.196 4.546 4.350 0.000 0.000 0.279 256 E C 1.320 177.910 176.600 -0.016 0.000 1.095 256 E CA 0.351 56.749 56.400 -0.003 0.000 0.888 256 E CB 0.630 30.328 29.700 -0.004 0.000 1.041 256 E HN 0.711 nan 8.360 nan 0.000 0.414 257 G N 5.584 114.368 108.800 -0.027 0.000 3.404 257 G HA2 -0.321 3.639 3.960 0.000 0.000 0.260 257 G HA3 -0.321 3.639 3.960 0.000 0.000 0.260 257 G C -1.165 173.704 174.900 -0.052 0.000 1.060 257 G CA 0.601 45.673 45.100 -0.047 0.000 0.752 257 G HN 0.549 nan 8.290 nan 0.000 0.717 258 P HA 0.160 nan 4.420 nan 0.000 0.229 258 P C -0.162 177.119 177.300 -0.031 0.000 1.485 258 P CA 0.280 63.362 63.100 -0.031 0.000 1.217 258 P CB -1.152 30.536 31.700 -0.020 0.000 1.852 259 N N 0.660 119.330 118.700 -0.050 0.000 2.667 259 N HA -0.195 4.546 4.740 0.000 0.000 0.263 259 N C -0.262 175.230 175.510 -0.030 0.000 1.038 259 N CA 0.886 53.905 53.050 -0.051 0.000 0.749 259 N CB -0.516 37.953 38.487 -0.030 0.000 0.892 259 N HN 0.359 nan 8.380 nan 0.000 0.546 260 K N 0.335 120.712 120.400 -0.039 0.000 2.522 260 K HA 0.538 4.858 4.320 0.000 0.000 0.275 260 K C -1.154 175.475 176.600 0.048 0.000 1.006 260 K CA -0.556 55.746 56.287 0.025 0.000 0.890 260 K CB 1.977 34.497 32.500 0.033 0.000 1.475 260 K HN 0.064 nan 8.250 nan 0.000 0.441 261 F N 0.713 120.669 119.950 0.009 0.000 2.551 261 F HA 0.294 4.821 4.527 0.000 0.000 0.316 261 F C 0.452 176.265 175.800 0.022 0.000 1.089 261 F CA -0.768 57.241 58.000 0.015 0.000 0.915 261 F CB 1.611 40.623 39.000 0.020 0.000 1.186 261 F HN 0.584 nan 8.300 nan 0.000 0.456 262 K N 3.585 124.467 120.400 0.804 0.000 2.686 262 K HA 0.111 4.431 4.320 0.000 0.000 0.244 262 K C 0.006 176.676 176.600 0.117 0.000 1.262 262 K CA 0.056 56.560 56.287 0.362 0.000 1.199 262 K CB -1.275 31.427 32.500 0.337 0.000 1.428 262 K HN 0.766 nan 8.250 nan 0.000 0.247 263 c N 3.379 121.984 118.600 0.009 0.000 2.292 263 c HA -0.016 4.554 4.570 0.000 0.000 0.414 263 c C 0.688 174.683 174.090 -0.158 0.000 1.467 263 c CA -0.340 55.862 56.329 -0.211 0.000 1.409 263 c CB -2.527 39.942 42.510 -0.067 0.000 2.539 263 c HN 0.794 nan 8.230 nan 0.000 0.626 264 H N 4.757 123.604 119.070 -0.371 0.000 3.248 264 H HA 0.158 4.715 4.556 0.000 0.000 0.258 264 H C 1.042 176.292 175.328 -0.131 0.000 0.923 264 H CA 2.176 58.100 56.048 -0.207 0.000 1.416 264 H CB -0.073 29.559 29.762 -0.217 0.000 1.523 264 H HN 1.096 nan 8.280 nan 0.000 0.528 265 S N 2.314 117.796 115.700 -0.363 0.000 3.884 265 S HA -0.146 4.324 4.470 0.000 0.000 0.374 265 S C 0.788 175.291 174.600 -0.162 0.000 0.971 265 S CA 0.904 58.930 58.200 -0.290 0.000 1.152 265 S CB -1.366 61.611 63.200 -0.372 0.000 0.877 265 S HN 1.185 nan 8.310 nan 0.000 0.491 266 G N 0.129 108.863 108.800 -0.110 0.000 3.125 266 G HA2 0.537 4.497 3.960 0.000 0.000 0.136 266 G HA3 0.537 4.497 3.960 0.000 0.000 0.136 266 G C -0.484 174.394 174.900 -0.036 0.000 1.411 266 G CA 0.351 45.409 45.100 -0.071 0.000 1.130 266 G HN 0.454 nan 8.290 nan 0.000 0.701 267 E N -1.431 118.757 120.200 -0.019 0.000 2.368 267 E HA 0.490 4.840 4.350 0.000 0.000 0.257 267 E C -1.493 175.136 176.600 0.047 0.000 1.022 267 E CA -0.432 55.974 56.400 0.010 0.000 0.886 267 E CB 1.378 31.082 29.700 0.007 0.000 1.740 267 E HN 0.291 nan 8.360 nan 0.000 0.456 268 c N 1.725 120.358 118.600 0.054 0.000 2.281 268 c HA 0.772 5.342 4.570 0.000 0.000 0.323 268 c C -0.128 174.008 174.090 0.076 0.000 1.270 268 c CA -0.496 55.882 56.329 0.080 0.000 1.559 268 c CB -1.404 41.139 42.510 0.054 0.000 2.239 268 c HN 0.486 nan 8.230 nan 0.000 0.488 269 I N 1.705 122.344 120.570 0.115 0.000 2.722 269 I HA 0.877 5.047 4.170 0.000 0.000 0.292 269 I C -0.481 175.707 176.117 0.118 0.000 1.267 269 I CA 0.007 61.365 61.300 0.097 0.000 1.036 269 I CB 2.180 40.230 38.000 0.082 0.000 1.281 269 I HN 0.476 nan 8.210 nan 0.000 0.423 270 T N 5.099 119.698 114.554 0.075 0.000 2.700 270 T HA 0.593 4.944 4.350 0.000 0.000 0.307 270 T C -0.421 174.304 174.700 0.040 0.000 1.580 270 T CA -0.687 61.452 62.100 0.066 0.000 0.992 270 T CB 1.645 70.539 68.868 0.043 0.000 1.577 270 T HN 0.722 nan 8.240 nan 0.000 0.496 271 L N 0.432 121.675 121.223 0.033 0.000 4.452 271 L HA 0.249 4.590 4.340 0.000 0.000 0.451 271 L C 0.703 177.583 176.870 0.018 0.000 1.096 271 L CA 0.454 55.307 54.840 0.022 0.000 1.619 271 L CB -0.262 41.812 42.059 0.025 0.000 1.512 271 L HN 1.160 nan 8.230 nan 0.000 0.580 272 D N 1.261 121.669 120.400 0.014 0.000 2.772 272 D HA -0.285 4.355 4.640 0.000 0.000 0.233 272 D C 0.679 176.996 176.300 0.028 0.000 1.143 272 D CA 1.480 55.482 54.000 0.004 0.000 0.700 272 D CB -1.517 39.281 40.800 -0.004 0.000 1.076 272 D HN 0.461 nan 8.370 nan 0.000 0.430 273 K N 0.519 120.949 120.400 0.049 0.000 3.233 273 K HA 0.348 4.669 4.320 0.000 0.000 0.283 273 K C 0.910 177.563 176.600 0.089 0.000 1.209 273 K CA 0.348 56.672 56.287 0.061 0.000 1.197 273 K CB -0.544 31.995 32.500 0.066 0.000 1.431 273 K HN 0.882 nan 8.250 nan 0.000 0.326 274 V N 0.088 120.048 119.914 0.077 0.000 2.382 274 V HA 0.011 4.131 4.120 0.000 0.000 0.250 274 V C 0.588 176.736 176.094 0.092 0.000 1.069 274 V CA -0.656 61.700 62.300 0.094 0.000 1.130 274 V CB -0.783 31.076 31.823 0.060 0.000 1.165 274 V HN 0.727 nan 8.190 nan 0.000 0.483 275 c N 5.343 124.009 118.600 0.109 0.000 3.690 275 c HA -0.148 4.422 4.570 0.000 0.000 0.295 275 c C 0.338 174.462 174.090 0.055 0.000 1.283 275 c CA 0.866 57.245 56.329 0.082 0.000 2.212 275 c CB -2.600 39.964 42.510 0.091 0.000 1.407 275 c HN 1.480 nan 8.230 nan 0.000 0.595 276 N N 2.214 120.943 118.700 0.048 0.000 2.617 276 N HA 0.520 5.260 4.740 0.000 0.000 0.263 276 N C -0.003 175.523 175.510 0.026 0.000 1.074 276 N CA -0.964 52.107 53.050 0.034 0.000 0.841 276 N CB 0.453 38.961 38.487 0.034 0.000 1.221 276 N HN 0.624 nan 8.380 nan 0.000 0.529 277 M N 0.428 120.040 119.600 0.021 0.000 2.249 277 M HA -0.234 4.246 4.480 0.000 0.000 0.179 277 M C -0.469 175.840 176.300 0.016 0.000 0.801 277 M CA 0.972 56.282 55.300 0.016 0.000 0.487 277 M CB -1.783 30.825 32.600 0.013 0.000 1.052 277 M HN 0.793 nan 8.290 nan 0.000 0.892 278 A N 0.879 123.709 122.820 0.017 0.000 2.583 278 A HA 0.628 4.948 4.320 0.000 0.000 0.298 278 A C -0.612 176.980 177.584 0.013 0.000 1.055 278 A CA -0.965 51.081 52.037 0.015 0.000 0.714 278 A CB 1.214 20.225 19.000 0.019 0.000 1.277 278 A HN 0.564 nan 8.150 nan 0.000 0.406 279 R N 2.093 122.597 120.500 0.006 0.000 2.391 279 R HA 0.371 4.711 4.340 0.000 0.000 0.310 279 R C -1.366 174.933 176.300 -0.002 0.000 1.174 279 R CA -0.291 55.808 56.100 -0.001 0.000 1.118 279 R CB 0.107 30.404 30.300 -0.005 0.000 1.134 279 R HN 0.593 nan 8.270 nan 0.000 0.524 280 D N 3.876 124.276 120.400 -0.000 0.000 3.018 280 D HA 0.178 4.818 4.640 0.000 0.000 0.331 280 D C -0.925 175.368 176.300 -0.013 0.000 1.334 280 D CA 0.049 54.051 54.000 0.004 0.000 0.900 280 D CB 0.462 41.276 40.800 0.025 0.000 1.059 280 D HN 0.373 nan 8.370 nan 0.000 0.498 281 c N -0.660 117.923 118.600 -0.029 0.000 3.141 281 c HA 0.356 4.926 4.570 0.000 0.000 0.422 281 c C 0.813 174.876 174.090 -0.045 0.000 0.998 281 c CA -0.506 55.792 56.329 -0.051 0.000 1.084 281 c CB -0.010 42.442 42.510 -0.097 0.000 1.513 281 c HN 0.490 nan 8.230 nan 0.000 0.616 282 R N 2.011 122.485 120.500 -0.043 0.000 2.845 282 R HA 0.311 4.651 4.340 0.000 0.000 0.220 282 R C 0.021 176.295 176.300 -0.044 0.000 1.528 282 R CA 1.449 57.527 56.100 -0.037 0.000 1.374 282 R CB -0.699 29.580 30.300 -0.036 0.000 1.104 282 R HN 0.759 nan 8.270 nan 0.000 0.510 283 D N -2.776 117.594 120.400 -0.050 0.000 2.859 283 D HA 0.246 4.886 4.640 0.000 0.000 0.223 283 D C -0.048 176.228 176.300 -0.040 0.000 1.218 283 D CA -0.121 53.849 54.000 -0.049 0.000 0.850 283 D CB 1.011 41.768 40.800 -0.072 0.000 1.656 283 D HN 0.256 nan 8.370 nan 0.000 0.484 284 W N 1.862 123.148 121.300 -0.022 0.000 3.468 284 W HA 0.211 4.872 4.660 0.000 0.000 0.327 284 W C 0.820 177.330 176.519 -0.016 0.000 1.259 284 W CA -0.433 56.904 57.345 -0.013 0.000 1.706 284 W CB -0.559 28.900 29.460 -0.002 0.000 1.007 284 W HN 0.239 nan 8.180 nan 0.000 0.764 285 S N 0.845 116.522 115.700 -0.039 0.000 2.506 285 S HA 0.210 4.680 4.470 0.000 0.000 0.245 285 S C -0.475 174.011 174.600 -0.190 0.000 1.088 285 S CA 0.346 58.508 58.200 -0.065 0.000 1.099 285 S CB -0.380 62.838 63.200 0.030 0.000 0.805 285 S HN 0.516 nan 8.310 nan 0.000 0.461 286 D N 1.779 122.118 120.400 -0.103 0.000 2.429 286 D HA 0.189 4.829 4.640 0.000 0.000 0.255 286 D C -0.548 175.750 176.300 -0.003 0.000 1.257 286 D CA -0.276 53.683 54.000 -0.069 0.000 0.890 286 D CB -0.272 40.503 40.800 -0.043 0.000 1.267 286 D HN 0.249 nan 8.370 nan 0.000 0.521 287 E N -0.108 120.109 120.200 0.029 0.000 2.613 287 E HA -0.093 4.257 4.350 0.000 0.000 0.307 287 E C -2.250 174.375 176.600 0.040 0.000 0.978 287 E CA -0.209 56.222 56.400 0.052 0.000 0.929 287 E CB -1.810 27.917 29.700 0.046 0.000 1.402 287 E HN 0.389 nan 8.360 nan 0.000 0.399 288 P HA 0.147 nan 4.420 nan 0.000 0.271 288 P C -0.118 177.208 177.300 0.042 0.000 1.244 288 P CA -0.068 63.050 63.100 0.031 0.000 0.793 288 P CB 0.572 32.288 31.700 0.027 0.000 0.984 289 I N 1.360 121.950 120.570 0.033 0.000 2.668 289 I HA 0.283 4.453 4.170 0.000 0.000 0.276 289 I C -0.530 175.604 176.117 0.028 0.000 1.139 289 I CA -0.388 60.931 61.300 0.032 0.000 1.133 289 I CB 0.229 38.241 38.000 0.020 0.000 1.327 289 I HN -0.034 nan 8.210 nan 0.000 0.520 290 K N 4.808 125.232 120.400 0.041 0.000 2.895 290 K HA 0.249 4.569 4.320 0.000 0.000 0.191 290 K C -0.226 176.411 176.600 0.061 0.000 1.117 290 K CA -0.273 56.037 56.287 0.038 0.000 0.988 290 K CB 0.218 32.737 32.500 0.033 0.000 1.181 290 K HN 0.512 nan 8.250 nan 0.000 0.598 291 E N -0.039 120.185 120.200 0.041 0.000 2.442 291 E HA -0.192 4.158 4.350 0.000 0.000 0.256 291 E C -0.135 176.490 176.600 0.041 0.000 1.095 291 E CA 0.358 56.770 56.400 0.020 0.000 0.747 291 E CB -2.131 27.585 29.700 0.026 0.000 1.310 291 E HN 0.519 nan 8.360 nan 0.000 0.396 292 c N 0.197 118.829 118.600 0.053 0.000 2.458 292 c HA 0.306 4.876 4.570 0.000 0.000 0.343 292 c C 1.358 175.455 174.090 0.011 0.000 1.384 292 c CA 0.388 56.765 56.329 0.081 0.000 1.555 292 c CB -2.150 40.401 42.510 0.068 0.000 1.599 292 c HN 0.569 nan 8.230 nan 0.000 0.600 293 G N 1.252 110.004 108.800 -0.081 0.000 2.365 293 G HA2 0.385 4.345 3.960 0.000 0.000 0.249 293 G HA3 0.385 4.345 3.960 0.000 0.000 0.249 293 G C -0.016 174.756 174.900 -0.213 0.000 1.288 293 G CA 0.277 45.286 45.100 -0.152 0.000 0.887 293 G HN 0.483 nan 8.290 nan 0.000 0.524 294 T N 1.172 115.659 114.554 -0.111 0.000 2.829 294 T HA 0.392 4.743 4.350 0.000 0.000 0.280 294 T C 0.420 175.081 174.700 -0.066 0.000 0.999 294 T CA -0.332 61.734 62.100 -0.056 0.000 0.983 294 T CB 0.216 69.098 68.868 0.023 0.000 0.968 294 T HN 0.912 nan 8.240 nan 0.000 0.446 295 N N 3.001 121.677 118.700 -0.039 0.000 2.648 295 N HA -0.139 4.601 4.740 0.000 0.000 0.265 295 N C -0.806 174.665 175.510 -0.065 0.000 1.100 295 N CA 0.280 53.317 53.050 -0.022 0.000 0.715 295 N CB -0.234 38.251 38.487 -0.004 0.000 0.881 295 N HN 0.654 nan 8.380 nan 0.000 0.548 296 E N 0.419 120.546 120.200 -0.121 0.000 2.511 296 E HA 0.244 4.594 4.350 0.000 0.000 0.214 296 E C 0.443 177.006 176.600 -0.061 0.000 1.062 296 E CA -0.390 55.926 56.400 -0.139 0.000 1.213 296 E CB 0.122 29.646 29.700 -0.292 0.000 1.214 296 E HN 0.333 nan 8.360 nan 0.000 0.441 297 c N 0.259 118.850 118.600 -0.016 0.000 2.801 297 c HA 0.009 4.579 4.570 0.000 0.000 0.376 297 c C 1.508 175.592 174.090 -0.009 0.000 1.323 297 c CA 0.115 56.449 56.329 0.009 0.000 2.170 297 c CB -0.511 42.007 42.510 0.013 0.000 2.650 297 c HN 0.816 nan 8.230 nan 0.000 0.736 298 L N 0.474 121.693 121.223 -0.006 0.000 4.179 298 L HA -0.183 4.157 4.340 0.000 0.000 0.418 298 L C 0.610 177.470 176.870 -0.018 0.000 1.168 298 L CA 0.914 55.745 54.840 -0.014 0.000 0.972 298 L CB -1.322 40.730 42.059 -0.013 0.000 2.005 298 L HN 0.815 nan 8.230 nan 0.000 0.935 299 D N 1.840 122.231 120.400 -0.015 0.000 2.801 299 D HA 0.080 4.720 4.640 0.000 0.000 0.232 299 D C 0.291 176.588 176.300 -0.005 0.000 1.128 299 D CA 0.024 54.011 54.000 -0.021 0.000 1.003 299 D CB -0.714 40.080 40.800 -0.010 0.000 1.110 299 D HN 0.526 nan 8.370 nan 0.000 0.477 300 N N 1.482 120.174 118.700 -0.013 0.000 2.537 300 N HA -0.240 4.500 4.740 0.000 0.000 0.286 300 N C 0.180 175.680 175.510 -0.016 0.000 1.245 300 N CA 0.433 53.474 53.050 -0.015 0.000 0.704 300 N CB -1.161 37.320 38.487 -0.010 0.000 0.910 300 N HN 0.499 nan 8.380 nan 0.000 0.542 301 N N 0.337 119.023 118.700 -0.024 0.000 2.617 301 N HA -0.021 4.719 4.740 0.000 0.000 0.198 301 N C 1.423 176.893 175.510 -0.066 0.000 1.317 301 N CA 0.531 53.563 53.050 -0.030 0.000 0.892 301 N CB 0.094 38.564 38.487 -0.028 0.000 1.041 301 N HN 0.592 nan 8.380 nan 0.000 0.450 302 G N -1.524 107.244 108.800 -0.055 0.000 2.833 302 G HA2 0.084 4.044 3.960 0.000 0.000 0.214 302 G HA3 0.084 4.044 3.960 0.000 0.000 0.214 302 G C 1.112 175.988 174.900 -0.039 0.000 1.075 302 G CA 0.068 45.127 45.100 -0.068 0.000 0.799 302 G HN 0.264 nan 8.290 nan 0.000 0.541 303 G N -0.551 108.238 108.800 -0.018 0.000 2.985 303 G HA2 0.246 4.206 3.960 0.000 0.000 0.209 303 G HA3 0.246 4.206 3.960 0.000 0.000 0.209 303 G C 0.359 175.260 174.900 0.002 0.000 1.165 303 G CA 0.448 45.547 45.100 -0.001 0.000 0.776 303 G HN 0.400 nan 8.290 nan 0.000 0.541 304 c N -0.555 118.037 118.600 -0.013 0.000 2.924 304 c HA 0.896 5.466 4.570 0.000 0.000 0.399 304 c C 0.393 174.450 174.090 -0.055 0.000 1.795 304 c CA 0.048 56.368 56.329 -0.015 0.000 1.685 304 c CB 1.566 44.073 42.510 -0.006 0.000 2.218 304 c HN 0.454 nan 8.230 nan 0.000 0.474 305 S N -0.948 114.716 115.700 -0.060 0.000 2.720 305 S HA 0.467 4.937 4.470 0.000 0.000 0.287 305 S C -1.273 173.260 174.600 -0.112 0.000 1.168 305 S CA -0.518 57.621 58.200 -0.102 0.000 0.832 305 S CB 0.465 63.653 63.200 -0.021 0.000 1.166 305 S HN 0.740 nan 8.310 nan 0.000 0.493 306 H N 1.015 120.096 119.070 0.019 0.000 3.412 306 H HA 0.276 4.832 4.556 0.000 0.000 0.240 306 H C -0.172 175.171 175.328 0.024 0.000 1.213 306 H CA 0.875 56.935 56.048 0.019 0.000 1.497 306 H CB -1.057 28.715 29.762 0.016 0.000 1.619 306 H HN 0.558 nan 8.280 nan 0.000 0.508 307 V N 1.790 121.769 119.914 0.109 0.000 3.434 307 V HA -0.251 3.869 4.120 0.000 0.000 0.459 307 V C 0.698 176.818 176.094 0.043 0.000 0.681 307 V CA 0.286 62.627 62.300 0.069 0.000 1.967 307 V CB -1.375 30.494 31.823 0.077 0.000 2.417 307 V HN 1.030 nan 8.190 nan 0.000 0.495 308 c N 5.277 123.894 118.600 0.029 0.000 2.499 308 c HA 0.660 5.230 4.570 0.000 0.000 0.386 308 c C 0.770 174.876 174.090 0.027 0.000 1.293 308 c CA 0.345 56.689 56.329 0.025 0.000 1.884 308 c CB 0.568 43.091 42.510 0.022 0.000 2.509 308 c HN 1.077 nan 8.230 nan 0.000 0.566 309 N N 2.691 121.406 118.700 0.026 0.000 2.733 309 N HA 0.159 4.899 4.740 0.000 0.000 0.271 309 N C -0.548 174.978 175.510 0.026 0.000 1.720 309 N CA -0.139 52.925 53.050 0.023 0.000 0.803 309 N CB 0.322 38.820 38.487 0.018 0.000 1.208 309 N HN 0.992 nan 8.380 nan 0.000 0.498 310 D N 1.243 121.668 120.400 0.041 0.000 2.393 310 D HA 0.337 4.977 4.640 0.000 0.000 0.246 310 D C -0.075 176.255 176.300 0.051 0.000 1.275 310 D CA 0.209 54.247 54.000 0.063 0.000 0.979 310 D CB 0.830 41.701 40.800 0.118 0.000 1.101 310 D HN 0.310 nan 8.370 nan 0.000 0.505 311 L N -3.770 117.492 121.223 0.065 0.000 2.828 311 L HA 0.587 4.928 4.340 0.000 0.000 0.264 311 L C -0.180 176.730 176.870 0.067 0.000 1.106 311 L CA -1.505 53.362 54.840 0.045 0.000 0.955 311 L CB 0.262 42.332 42.059 0.018 0.000 1.558 311 L HN 0.307 nan 8.230 nan 0.000 0.386 312 K N 0.815 121.243 120.400 0.047 0.000 1.948 312 K HA 0.411 4.731 4.320 0.000 0.000 0.231 312 K C 0.346 176.990 176.600 0.072 0.000 1.136 312 K CA 0.776 57.099 56.287 0.059 0.000 1.185 312 K CB -1.921 30.602 32.500 0.038 0.000 1.090 312 K HN 0.676 nan 8.250 nan 0.000 0.302 313 I N -0.956 119.701 120.570 0.144 0.000 6.431 313 I HA -0.204 3.966 4.170 0.000 0.000 0.126 313 I C 0.717 176.834 176.117 -0.001 0.000 1.825 313 I CA 0.683 62.086 61.300 0.172 0.000 2.040 313 I CB -1.748 36.360 38.000 0.180 0.000 3.487 313 I HN 0.651 nan 8.210 nan 0.000 0.170 314 G N 1.876 110.663 108.800 -0.022 0.000 5.302 314 G HA2 0.379 4.339 3.960 0.000 0.000 0.223 314 G HA3 0.379 4.339 3.960 0.000 0.000 0.223 314 G C 0.171 175.039 174.900 -0.053 0.000 0.832 314 G CA -0.236 44.798 45.100 -0.109 0.000 0.714 314 G HN 0.620 nan 8.290 nan 0.000 0.444 315 Y N 1.134 121.423 120.300 -0.019 0.000 3.403 315 Y HA 0.182 4.732 4.550 0.000 0.000 0.376 315 Y C 0.804 176.696 175.900 -0.014 0.000 0.958 315 Y CA -0.958 57.134 58.100 -0.014 0.000 1.975 315 Y CB -0.367 38.088 38.460 -0.008 0.000 2.231 315 Y HN 0.273 nan 8.280 nan 0.000 0.414 316 E N 1.423 121.616 120.200 -0.012 0.000 2.159 316 E HA 0.056 4.406 4.350 0.000 0.000 0.272 316 E C -0.924 175.680 176.600 0.007 0.000 1.138 316 E CA -0.335 56.041 56.400 -0.040 0.000 0.915 316 E CB 0.106 29.768 29.700 -0.063 0.000 1.028 316 E HN 0.538 nan 8.360 nan 0.000 0.423 317 c N 6.573 125.181 118.600 0.015 0.000 2.657 317 c HA 0.273 4.844 4.570 0.000 0.000 0.404 317 c C 0.680 174.775 174.090 0.008 0.000 1.369 317 c CA -0.236 56.105 56.329 0.019 0.000 1.665 317 c CB -1.587 40.936 42.510 0.021 0.000 2.453 317 c HN 0.624 nan 8.230 nan 0.000 0.599 318 L N 2.989 124.219 121.223 0.013 0.000 2.301 318 L HA 0.613 4.953 4.340 0.000 0.000 0.249 318 L C -0.015 176.875 176.870 0.034 0.000 1.069 318 L CA -0.637 54.214 54.840 0.018 0.000 0.865 318 L CB 1.257 43.324 42.059 0.015 0.000 1.467 318 L HN 0.624 nan 8.230 nan 0.000 0.419 319 c N 0.968 119.591 118.600 0.039 0.000 2.370 319 c HA 0.648 5.218 4.570 0.000 0.000 0.354 319 c C -1.934 172.195 174.090 0.065 0.000 1.218 319 c CA -1.244 55.119 56.329 0.057 0.000 2.154 319 c CB 0.881 43.419 42.510 0.047 0.000 2.391 319 c HN 0.519 nan 8.230 nan 0.000 0.540 320 P HA 0.144 nan 4.420 nan 0.000 0.272 320 P C -1.078 176.279 177.300 0.096 0.000 1.243 320 P CA 0.431 63.596 63.100 0.108 0.000 0.803 320 P CB 0.350 32.139 31.700 0.149 0.000 0.974 321 D N -0.947 119.517 120.400 0.107 0.000 2.629 321 D HA 0.438 5.079 4.640 0.000 0.000 0.250 321 D C 0.733 177.054 176.300 0.035 0.000 1.126 321 D CA 0.159 54.189 54.000 0.050 0.000 0.852 321 D CB 1.210 42.029 40.800 0.031 0.000 1.335 321 D HN 0.569 nan 8.370 nan 0.000 0.518 322 G N 2.441 111.148 108.800 -0.155 0.000 2.218 322 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 322 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 322 G C -0.135 173.977 174.900 -1.313 0.000 0.994 322 G CA -0.082 44.675 45.100 -0.572 0.000 0.637 322 G HN 0.417 nan 8.290 nan 0.000 0.505 323 F N 0.882 120.854 119.950 0.037 0.000 2.608 323 F HA 0.726 5.253 4.527 0.000 0.000 0.309 323 F C -0.348 175.460 175.800 0.013 0.000 1.103 323 F CA -0.940 57.079 58.000 0.032 0.000 0.954 323 F CB 2.009 41.044 39.000 0.058 0.000 1.267 323 F HN 0.066 nan 8.300 nan 0.000 0.444 324 Q N 3.351 123.214 119.800 0.105 0.000 2.345 324 Q HA 0.861 5.201 4.340 0.000 0.000 0.275 324 Q C -1.678 174.347 176.000 0.041 0.000 1.063 324 Q CA -1.089 54.745 55.803 0.051 0.000 0.819 324 Q CB 3.361 32.097 28.738 -0.003 0.000 1.356 324 Q HN 0.765 nan 8.270 nan 0.000 0.418 325 L N 0.612 121.856 121.223 0.035 0.000 3.150 325 L HA 0.516 4.856 4.340 0.000 0.000 0.231 325 L C -1.871 175.014 176.870 0.025 0.000 0.994 325 L CA -0.506 54.349 54.840 0.026 0.000 1.050 325 L CB 1.887 43.964 42.059 0.030 0.000 1.506 325 L HN 0.680 nan 8.230 nan 0.000 0.420 326 V N 0.321 120.244 119.914 0.016 0.000 3.225 326 V HA 0.952 5.072 4.120 0.000 0.000 0.293 326 V C -1.395 174.705 176.094 0.009 0.000 1.405 326 V CA 0.053 62.362 62.300 0.015 0.000 1.038 326 V CB 2.145 33.975 31.823 0.012 0.000 1.123 326 V HN 1.589 nan 8.190 nan 0.000 0.447 327 A N 3.491 126.316 122.820 0.008 0.000 3.041 327 A HA 0.555 4.875 4.320 0.000 0.000 0.307 327 A C 0.763 178.347 177.584 -0.000 0.000 1.116 327 A CA 0.256 52.296 52.037 0.004 0.000 1.001 327 A CB -0.683 18.322 19.000 0.007 0.000 1.112 327 A HN 2.068 nan 8.150 nan 0.000 0.556 328 Q N 0.211 120.009 119.800 -0.004 0.000 2.426 328 Q HA -0.247 4.093 4.340 0.000 0.000 0.254 328 Q C -0.677 175.317 176.000 -0.009 0.000 1.017 328 Q CA 1.634 57.430 55.803 -0.011 0.000 1.083 328 Q CB -1.630 27.097 28.738 -0.018 0.000 1.552 328 Q HN 0.603 nan 8.270 nan 0.000 0.532 329 R N 0.136 120.636 120.500 -0.000 0.000 2.937 329 R HA 0.219 4.559 4.340 0.000 0.000 0.273 329 R C -0.520 175.786 176.300 0.011 0.000 1.176 329 R CA -0.010 56.091 56.100 0.003 0.000 1.132 329 R CB 0.799 31.100 30.300 0.001 0.000 1.270 329 R HN 0.578 nan 8.270 nan 0.000 0.425 330 R N -0.031 120.478 120.500 0.016 0.000 3.332 330 R HA -0.197 4.143 4.340 0.000 0.000 0.263 330 R C 0.167 176.500 176.300 0.055 0.000 1.053 330 R CA 1.031 57.150 56.100 0.031 0.000 0.705 330 R CB -2.969 27.338 30.300 0.012 0.000 1.166 330 R HN 0.859 nan 8.270 nan 0.000 0.427 331 c N 0.107 118.740 118.600 0.054 0.000 2.883 331 c HA 0.272 4.842 4.570 0.000 0.000 0.347 331 c C 0.916 175.050 174.090 0.074 0.000 1.361 331 c CA 0.329 56.694 56.329 0.060 0.000 2.102 331 c CB 0.404 42.947 42.510 0.056 0.000 2.496 331 c HN 0.750 nan 8.230 nan 0.000 0.758 332 E N 0.630 120.868 120.200 0.064 0.000 2.212 332 E HA 0.358 4.709 4.350 0.000 0.000 0.268 332 E C -0.767 175.880 176.600 0.079 0.000 0.902 332 E CA -0.550 55.886 56.400 0.060 0.000 0.779 332 E CB 1.199 30.927 29.700 0.046 0.000 1.172 332 E HN 0.828 nan 8.360 nan 0.000 0.409 333 D N 2.443 122.898 120.400 0.093 0.000 2.419 333 D HA -0.080 4.560 4.640 0.000 0.000 0.236 333 D C -0.221 176.155 176.300 0.127 0.000 1.165 333 D CA -0.309 53.789 54.000 0.164 0.000 0.882 333 D CB 0.804 41.699 40.800 0.158 0.000 1.201 333 D HN 0.405 nan 8.370 nan 0.000 0.443 334 I N 1.660 122.312 120.570 0.137 0.000 2.533 334 I HA 0.019 4.189 4.170 0.000 0.000 0.284 334 I C -0.314 175.839 176.117 0.060 0.000 1.109 334 I CA -0.636 60.704 61.300 0.067 0.000 1.412 334 I CB 0.297 38.307 38.000 0.017 0.000 1.396 334 I HN 0.188 nan 8.210 nan 0.000 0.543 335 D N 8.054 128.477 120.400 0.038 0.000 2.398 335 D HA 0.043 4.683 4.640 0.000 0.000 0.250 335 D C -0.325 175.981 176.300 0.011 0.000 1.287 335 D CA 0.195 54.215 54.000 0.032 0.000 0.992 335 D CB 0.091 40.906 40.800 0.025 0.000 1.071 335 D HN 0.567 nan 8.370 nan 0.000 0.514 336 E N 0.467 120.670 120.200 0.005 0.000 2.464 336 E HA 0.175 4.525 4.350 0.000 0.000 0.260 336 E C -0.348 176.238 176.600 -0.022 0.000 1.318 336 E CA -0.332 56.045 56.400 -0.039 0.000 1.571 336 E CB 0.329 29.952 29.700 -0.128 0.000 1.525 336 E HN 0.243 nan 8.360 nan 0.000 0.449 337 c N 1.931 120.530 118.600 -0.001 0.000 2.513 337 c HA 0.223 4.794 4.570 0.000 0.000 0.281 337 c C -0.571 173.519 174.090 -0.000 0.000 1.501 337 c CA -0.389 55.946 56.329 0.009 0.000 1.749 337 c CB -0.788 41.737 42.510 0.026 0.000 2.955 337 c HN 0.427 nan 8.230 nan 0.000 0.532 338 Q N 1.473 121.265 119.800 -0.013 0.000 2.357 338 Q HA 0.247 4.587 4.340 0.000 0.000 0.266 338 Q C -0.630 175.357 176.000 -0.021 0.000 1.021 338 Q CA -0.125 55.669 55.803 -0.015 0.000 0.784 338 Q CB 1.232 29.960 28.738 -0.017 0.000 1.243 338 Q HN 0.549 nan 8.270 nan 0.000 0.465 339 D N 4.401 124.792 120.400 -0.016 0.000 2.502 339 D HA 0.000 4.640 4.640 0.000 0.000 0.249 339 D C -1.855 174.431 176.300 -0.023 0.000 1.188 339 D CA -0.695 53.295 54.000 -0.017 0.000 0.890 339 D CB 0.525 41.318 40.800 -0.013 0.000 1.140 339 D HN 0.157 nan 8.370 nan 0.000 0.505 340 P HA 0.172 nan 4.420 nan 0.000 0.211 340 P C -0.633 176.644 177.300 -0.039 0.000 1.833 340 P CA 0.115 63.202 63.100 -0.023 0.000 0.938 340 P CB 0.373 32.060 31.700 -0.022 0.000 1.808 341 D N -1.408 118.965 120.400 -0.045 0.000 2.651 341 D HA 0.174 4.814 4.640 0.000 0.000 0.280 341 D C 0.165 176.430 176.300 -0.058 0.000 1.496 341 D CA 0.400 54.356 54.000 -0.073 0.000 0.792 341 D CB 0.925 41.687 40.800 -0.064 0.000 1.144 341 D HN 0.024 nan 8.370 nan 0.000 0.470 342 T N -0.697 113.839 114.554 -0.030 0.000 2.693 342 T HA 0.275 4.625 4.350 0.000 0.000 0.304 342 T C -1.528 173.179 174.700 0.012 0.000 1.471 342 T CA -0.288 61.811 62.100 -0.001 0.000 0.993 342 T CB 1.685 70.553 68.868 -0.000 0.000 1.554 342 T HN -0.107 nan 8.240 nan 0.000 0.496 343 c N 3.682 122.300 118.600 0.030 0.000 2.362 343 c HA 0.596 5.166 4.570 0.000 0.000 0.309 343 c C 0.748 174.853 174.090 0.024 0.000 1.110 343 c CA -0.878 55.473 56.329 0.037 0.000 1.485 343 c CB -1.093 41.455 42.510 0.064 0.000 1.949 343 c HN 0.926 nan 8.230 nan 0.000 0.419 344 S N 3.657 119.365 115.700 0.013 0.000 2.563 344 S HA 0.230 4.700 4.470 0.000 0.000 0.294 344 S C -0.270 174.338 174.600 0.013 0.000 1.279 344 S CA 0.158 58.360 58.200 0.004 0.000 1.069 344 S CB 0.142 63.341 63.200 -0.002 0.000 0.828 344 S HN 0.834 nan 8.310 nan 0.000 0.497 345 Q N 0.338 120.136 119.800 -0.002 0.000 2.351 345 Q HA -0.063 4.277 4.340 0.000 0.000 0.317 345 Q C -0.451 175.557 176.000 0.014 0.000 1.345 345 Q CA 0.654 56.454 55.803 -0.005 0.000 0.756 345 Q CB -2.185 26.580 28.738 0.045 0.000 1.022 345 Q HN 1.422 nan 8.270 nan 0.000 0.336 346 L N -0.650 120.572 121.223 -0.000 0.000 3.664 346 L HA -0.211 4.130 4.340 0.000 0.000 0.560 346 L C 0.151 177.040 176.870 0.032 0.000 1.285 346 L CA 1.188 56.036 54.840 0.012 0.000 0.864 346 L CB -0.756 41.309 42.059 0.010 0.000 1.512 346 L HN 0.911 nan 8.230 nan 0.000 0.853 347 c N 1.736 120.357 118.600 0.034 0.000 2.727 347 c HA 0.619 5.189 4.570 0.000 0.000 0.401 347 c C 0.752 174.874 174.090 0.053 0.000 1.294 347 c CA 0.309 56.670 56.329 0.053 0.000 2.134 347 c CB 0.192 42.728 42.510 0.044 0.000 2.724 347 c HN 1.071 nan 8.230 nan 0.000 0.677 348 V N 3.095 123.054 119.914 0.075 0.000 2.808 348 V HA 0.645 4.765 4.120 0.000 0.000 0.308 348 V C -0.836 175.315 176.094 0.094 0.000 1.099 348 V CA -0.620 61.721 62.300 0.068 0.000 0.920 348 V CB 1.726 33.584 31.823 0.059 0.000 1.014 348 V HN 0.970 nan 8.190 nan 0.000 0.425 349 N N 3.204 121.949 118.700 0.076 0.000 2.533 349 N HA 0.747 5.487 4.740 0.000 0.000 0.289 349 N C -1.237 174.316 175.510 0.072 0.000 1.103 349 N CA -0.443 52.661 53.050 0.090 0.000 0.877 349 N CB 1.587 40.114 38.487 0.066 0.000 1.419 349 N HN 0.883 nan 8.380 nan 0.000 0.517 350 L N 0.460 121.733 121.223 0.083 0.000 2.426 350 L HA 0.598 4.938 4.340 0.000 0.000 0.260 350 L C -0.008 176.901 176.870 0.064 0.000 1.233 350 L CA -0.965 53.907 54.840 0.054 0.000 1.267 350 L CB 0.779 42.858 42.059 0.032 0.000 1.814 350 L HN 0.448 nan 8.230 nan 0.000 0.561 351 E N -0.399 119.820 120.200 0.032 0.000 2.070 351 E HA 0.395 4.745 4.350 0.000 0.000 0.261 351 E C 0.050 176.622 176.600 -0.046 0.000 0.926 351 E CA 0.540 56.955 56.400 0.026 0.000 0.760 351 E CB 0.500 30.209 29.700 0.015 0.000 1.133 351 E HN 0.747 nan 8.360 nan 0.000 0.420 352 G N 2.779 111.528 108.800 -0.085 0.000 2.481 352 G HA2 -0.181 3.779 3.960 0.000 0.000 0.200 352 G HA3 -0.181 3.779 3.960 0.000 0.000 0.200 352 G C 0.325 174.940 174.900 -0.476 0.000 1.012 352 G CA -0.374 44.456 45.100 -0.451 0.000 0.676 352 G HN 0.694 nan 8.290 nan 0.000 0.488 353 G N 0.206 108.930 108.800 -0.126 0.000 2.544 353 G HA2 0.811 4.771 3.960 0.000 0.000 0.313 353 G HA3 0.811 4.771 3.960 0.000 0.000 0.313 353 G C -0.826 174.145 174.900 0.118 0.000 1.316 353 G CA -0.089 44.976 45.100 -0.058 0.000 0.944 353 G HN 1.399 nan 8.290 nan 0.000 0.489 354 Y N -1.128 119.223 120.300 0.084 0.000 2.581 354 Y HA 0.911 5.461 4.550 0.000 0.000 0.345 354 Y C -0.327 175.614 175.900 0.068 0.000 1.036 354 Y CA -1.292 56.858 58.100 0.083 0.000 1.042 354 Y CB 1.339 39.871 38.460 0.121 0.000 1.289 354 Y HN 0.880 nan 8.280 nan 0.000 0.471 355 K N 0.609 121.109 120.400 0.167 0.000 2.610 355 K HA 0.627 4.947 4.320 0.000 0.000 0.267 355 K C -1.793 174.872 176.600 0.108 0.000 0.943 355 K CA -0.230 56.103 56.287 0.076 0.000 0.862 355 K CB 0.789 33.272 32.500 -0.029 0.000 1.376 355 K HN 1.203 nan 8.250 nan 0.000 0.412 356 c N 1.430 120.089 118.600 0.099 0.000 2.362 356 c HA 0.942 5.512 4.570 0.000 0.000 0.363 356 c C -0.304 173.822 174.090 0.061 0.000 1.220 356 c CA 0.367 56.745 56.329 0.081 0.000 2.379 356 c CB 0.733 43.292 42.510 0.082 0.000 2.351 356 c HN 0.903 nan 8.230 nan 0.000 0.582 357 Q N 0.487 120.323 119.800 0.059 0.000 2.829 357 Q HA 0.348 4.689 4.340 0.000 0.000 0.296 357 Q C -1.764 174.284 176.000 0.080 0.000 0.893 357 Q CA -0.657 55.184 55.803 0.063 0.000 0.772 357 Q CB 1.297 30.064 28.738 0.049 0.000 1.489 357 Q HN 0.705 nan 8.270 nan 0.000 0.420 358 c N 0.886 119.554 118.600 0.114 0.000 2.355 358 c HA 0.483 5.053 4.570 0.000 0.000 0.332 358 c C -0.124 174.037 174.090 0.118 0.000 1.255 358 c CA -0.485 55.960 56.329 0.193 0.000 1.792 358 c CB 0.846 43.567 42.510 0.351 0.000 2.300 358 c HN 0.623 nan 8.230 nan 0.000 0.515 359 E N 1.416 121.599 120.200 -0.028 0.000 2.134 359 E HA 0.252 4.602 4.350 0.000 0.000 0.278 359 E C -0.521 176.047 176.600 -0.053 0.000 0.959 359 E CA 0.070 56.429 56.400 -0.068 0.000 0.783 359 E CB 0.706 30.330 29.700 -0.125 0.000 1.095 359 E HN 0.703 nan 8.360 nan 0.000 0.399 360 E N 2.467 122.695 120.200 0.047 0.000 2.414 360 E HA -0.205 4.145 4.350 0.000 0.000 0.173 360 E C -0.142 176.561 176.600 0.172 0.000 1.551 360 E CA 1.238 57.686 56.400 0.079 0.000 0.661 360 E CB -1.555 28.163 29.700 0.031 0.000 1.108 360 E HN 0.926 nan 8.360 nan 0.000 0.365 361 G N 0.634 109.550 108.800 0.194 0.000 2.325 361 G HA2 -0.151 3.809 3.960 0.000 0.000 0.248 361 G HA3 -0.151 3.809 3.960 0.000 0.000 0.248 361 G C -0.395 174.698 174.900 0.322 0.000 1.108 361 G CA -0.196 45.023 45.100 0.198 0.000 0.881 361 G HN 0.401 nan 8.290 nan 0.000 0.494 362 F N -0.666 119.302 119.950 0.029 0.000 2.619 362 F HA 0.786 5.313 4.527 0.000 0.000 0.308 362 F C -0.145 175.668 175.800 0.021 0.000 1.097 362 F CA -0.678 57.339 58.000 0.029 0.000 0.953 362 F CB 2.322 41.334 39.000 0.020 0.000 1.287 362 F HN 0.165 nan 8.300 nan 0.000 0.446 363 Q N 1.615 121.427 119.800 0.021 0.000 2.648 363 Q HA 0.481 4.821 4.340 0.000 0.000 0.300 363 Q C -1.743 174.269 176.000 0.021 0.000 0.954 363 Q CA -0.965 54.861 55.803 0.037 0.000 0.757 363 Q CB 2.831 31.572 28.738 0.004 0.000 1.482 363 Q HN 0.678 nan 8.270 nan 0.000 0.437 364 L N 0.696 121.936 121.223 0.028 0.000 2.399 364 L HA 0.496 4.836 4.340 0.000 0.000 0.265 364 L C -0.718 176.156 176.870 0.006 0.000 1.089 364 L CA 0.330 55.185 54.840 0.025 0.000 0.802 364 L CB 0.825 42.904 42.059 0.033 0.000 1.180 364 L HN 0.421 nan 8.230 nan 0.000 0.454 365 D N 3.799 124.205 120.400 0.010 0.000 2.363 365 D HA 0.242 4.882 4.640 0.000 0.000 0.258 365 D C -2.217 174.094 176.300 0.017 0.000 1.259 365 D CA -0.950 53.050 54.000 0.001 0.000 0.921 365 D CB 1.677 42.473 40.800 -0.007 0.000 1.201 365 D HN 0.325 nan 8.370 nan 0.000 0.524 366 P HA -0.164 nan 4.420 nan 0.000 0.180 366 P C -0.094 177.264 177.300 0.097 0.000 1.288 366 P CA 1.328 64.439 63.100 0.020 0.000 0.893 366 P CB -0.537 31.147 31.700 -0.027 0.000 1.586 367 H N -2.723 116.347 119.070 0.000 0.000 3.192 367 H HA 0.138 4.694 4.556 0.000 0.000 0.247 367 H C 0.547 175.875 175.328 0.001 0.000 1.203 367 H CA 0.068 56.116 56.048 -0.001 0.000 0.973 367 H CB 1.029 30.789 29.762 -0.003 0.000 2.500 367 H HN 0.183 nan 8.280 nan 0.000 0.678 368 T N -3.928 110.693 114.554 0.111 0.000 2.669 368 T HA 0.467 4.817 4.350 0.000 0.000 0.302 368 T C -0.487 174.243 174.700 0.049 0.000 1.659 368 T CA -0.092 62.045 62.100 0.063 0.000 0.979 368 T CB 1.486 70.386 68.868 0.054 0.000 1.895 368 T HN 0.016 nan 8.240 nan 0.000 0.466 369 K N -1.010 119.414 120.400 0.041 0.000 2.761 369 K HA 0.861 5.182 4.320 0.000 0.000 0.196 369 K C 0.252 176.876 176.600 0.040 0.000 1.134 369 K CA 0.138 56.450 56.287 0.040 0.000 1.082 369 K CB 0.321 32.844 32.500 0.038 0.000 0.768 369 K HN 1.374 nan 8.250 nan 0.000 0.475 370 A N 0.088 122.930 122.820 0.037 0.000 2.354 370 A HA 0.466 4.786 4.320 0.000 0.000 0.281 370 A C 0.459 178.068 177.584 0.043 0.000 1.174 370 A CA -0.302 51.756 52.037 0.036 0.000 0.828 370 A CB -0.012 19.008 19.000 0.032 0.000 1.099 370 A HN 0.605 nan 8.150 nan 0.000 0.516 371 c N 3.588 122.233 118.600 0.075 0.000 2.896 371 c HA 0.451 5.021 4.570 0.000 0.000 0.499 371 c C 1.402 175.524 174.090 0.052 0.000 1.022 371 c CA 0.268 56.686 56.329 0.148 0.000 1.127 371 c CB -2.228 40.447 42.510 0.275 0.000 1.452 371 c HN 0.831 nan 8.230 nan 0.000 0.580 372 K N 1.790 122.156 120.400 -0.057 0.000 2.292 372 K HA 0.641 4.961 4.320 0.000 0.000 0.290 372 K C 0.110 176.512 176.600 -0.330 0.000 1.083 372 K CA 0.340 56.546 56.287 -0.135 0.000 0.918 372 K CB 0.509 32.986 32.500 -0.039 0.000 1.089 372 K HN 0.851 nan 8.250 nan 0.000 0.473 373 A N 1.527 123.917 122.820 -0.716 0.000 2.330 373 A HA 0.908 5.228 4.320 0.000 0.000 0.329 373 A C -0.512 176.829 177.584 -0.405 0.000 1.135 373 A CA -0.499 51.000 52.037 -0.897 0.000 0.817 373 A CB 1.729 19.296 19.000 -2.389 0.000 1.269 373 A HN 1.362 nan 8.150 nan 0.000 0.469 374 V N -0.272 119.499 119.914 -0.240 0.000 3.181 374 V HA 0.801 4.921 4.120 0.000 0.000 0.307 374 V C 0.712 176.785 176.094 -0.034 0.000 1.310 374 V CA 0.779 63.023 62.300 -0.094 0.000 1.067 374 V CB 1.938 33.718 31.823 -0.072 0.000 1.081 374 V HN 2.236 nan 8.190 nan 0.000 0.453 375 G N 1.449 110.250 108.800 0.002 0.000 2.705 375 G HA2 -0.098 3.862 3.960 0.000 0.000 0.193 375 G HA3 -0.098 3.862 3.960 0.000 0.000 0.193 375 G C 0.202 175.140 174.900 0.063 0.000 1.015 375 G CA 0.388 45.507 45.100 0.031 0.000 0.743 375 G HN 1.225 nan 8.290 nan 0.000 0.476 376 S N 1.354 117.101 115.700 0.079 0.000 2.664 376 S HA 0.537 5.008 4.470 0.000 0.000 0.262 376 S C 0.234 174.884 174.600 0.083 0.000 1.229 376 S CA -0.614 57.682 58.200 0.159 0.000 1.151 376 S CB 0.166 63.527 63.200 0.269 0.000 1.054 376 S HN 0.948 nan 8.310 nan 0.000 0.483 377 I N 2.165 122.701 120.570 -0.056 0.000 2.742 377 I HA 0.426 4.596 4.170 0.000 0.000 0.287 377 I C 0.373 176.297 176.117 -0.323 0.000 1.186 377 I CA -0.261 60.908 61.300 -0.219 0.000 1.417 377 I CB 0.084 37.913 38.000 -0.284 0.000 1.377 377 I HN 0.477 nan 8.210 nan 0.000 0.556 378 A N 6.554 129.156 122.820 -0.365 0.000 2.304 378 A HA 0.725 5.045 4.320 0.000 0.000 0.301 378 A C -0.884 176.381 177.584 -0.530 0.000 1.132 378 A CA -0.320 51.488 52.037 -0.381 0.000 0.819 378 A CB 0.462 19.069 19.000 -0.656 0.000 1.094 378 A HN 0.778 nan 8.150 nan 0.000 0.492 379 Y N -0.112 120.077 120.300 -0.185 0.000 2.662 379 Y HA 0.731 5.281 4.550 0.000 0.000 0.335 379 Y C -0.285 175.317 175.900 -0.496 0.000 1.066 379 Y CA -0.966 56.916 58.100 -0.363 0.000 1.116 379 Y CB 1.711 39.864 38.460 -0.512 0.000 1.308 379 Y HN 0.661 nan 8.280 nan 0.000 0.502 380 L N 0.097 121.003 121.223 -0.529 0.000 2.359 380 L HA 0.758 5.098 4.340 0.000 0.000 0.256 380 L C -1.943 174.390 176.870 -0.895 0.000 1.026 380 L CA -0.795 53.719 54.840 -0.544 0.000 0.828 380 L CB 1.956 43.821 42.059 -0.323 0.000 1.406 380 L HN 0.517 nan 8.230 nan 0.000 0.413 381 F N 1.754 121.745 119.950 0.068 0.000 2.664 381 F HA 0.820 5.348 4.527 0.000 0.000 0.317 381 F C -0.687 175.279 175.800 0.276 0.000 1.108 381 F CA -0.801 57.221 58.000 0.037 0.000 0.957 381 F CB 1.958 40.925 39.000 -0.056 0.000 1.365 381 F HN 0.476 nan 8.300 nan 0.000 0.475 382 F N -1.876 118.204 119.950 0.217 0.000 2.952 382 F HA 0.578 5.105 4.527 0.000 0.000 0.329 382 F C -1.293 174.540 175.800 0.055 0.000 1.137 382 F CA -1.173 56.902 58.000 0.124 0.000 0.889 382 F CB 1.103 40.160 39.000 0.094 0.000 1.335 382 F HN 0.515 nan 8.300 nan 0.000 0.449 383 T N 0.459 115.175 114.554 0.270 0.000 2.881 383 T HA 0.693 5.043 4.350 0.000 0.000 0.290 383 T C -1.315 173.481 174.700 0.161 0.000 1.000 383 T CA -0.523 61.639 62.100 0.104 0.000 0.978 383 T CB 1.490 70.400 68.868 0.070 0.000 0.997 383 T HN 1.207 nan 8.240 nan 0.000 0.443 384 N N 0.489 119.242 118.700 0.089 0.000 2.457 384 N HA 0.567 5.307 4.740 0.000 0.000 0.290 384 N C 0.101 175.630 175.510 0.032 0.000 1.232 384 N CA -0.822 52.278 53.050 0.083 0.000 0.852 384 N CB 0.631 39.182 38.487 0.106 0.000 1.313 384 N HN 0.950 nan 8.380 nan 0.000 0.522 385 R N -0.935 119.582 120.500 0.028 0.000 3.110 385 R HA 0.298 4.638 4.340 0.000 0.000 0.347 385 R C 1.040 177.348 176.300 0.013 0.000 0.931 385 R CA 1.374 57.488 56.100 0.023 0.000 1.003 385 R CB -2.513 27.800 30.300 0.021 0.000 0.955 385 R HN 2.098 nan 8.270 nan 0.000 0.405 386 H N -1.876 117.200 119.070 0.011 0.000 2.847 386 H HA 0.035 4.591 4.556 0.000 0.000 0.336 386 H C 0.018 175.320 175.328 -0.044 0.000 1.221 386 H CA 1.496 57.541 56.048 -0.005 0.000 1.162 386 H CB -1.970 27.799 29.762 0.013 0.000 1.566 386 H HN 1.459 nan 8.280 nan 0.000 0.430 390 K N 2.133 122.368 120.400 -0.275 0.000 2.172 390 K HA 0.537 4.857 4.320 0.000 0.000 0.276 390 K C -0.635 175.870 176.600 -0.157 0.000 1.013 390 K CA -0.717 55.426 56.287 -0.241 0.000 0.913 390 K CB 1.889 34.268 32.500 -0.201 0.000 1.055 390 K HN 0.608 nan 8.250 nan 0.000 0.461 391 M N 3.157 122.705 119.600 -0.087 0.000 2.253 391 M HA 0.185 4.665 4.480 0.000 0.000 0.314 391 M C -1.190 175.115 176.300 0.008 0.000 1.019 391 M CA -0.414 54.983 55.300 0.162 0.000 0.932 391 M CB 2.051 34.872 32.600 0.369 0.000 1.606 391 M HN 0.801 nan 8.290 nan 0.000 0.430 392 T N 5.074 119.645 114.554 0.028 0.000 2.751 392 T HA 0.128 4.478 4.350 0.000 0.000 0.290 392 T C 0.241 174.874 174.700 -0.111 0.000 0.919 392 T CA -0.538 61.521 62.100 -0.069 0.000 1.136 392 T CB -0.206 68.623 68.868 -0.066 0.000 0.875 392 T HN 0.565 nan 8.240 nan 0.000 0.532 393 L N 4.353 125.461 121.223 -0.191 0.000 3.022 393 L HA -0.024 4.316 4.340 0.000 0.000 0.303 393 L C 0.897 177.718 176.870 -0.082 0.000 1.081 393 L CA 0.661 55.390 54.840 -0.185 0.000 1.164 393 L CB -2.011 39.877 42.059 -0.284 0.000 1.559 393 L HN 0.788 nan 8.230 nan 0.000 0.422 394 D N 1.381 121.760 120.400 -0.034 0.000 2.792 394 D HA -0.262 4.378 4.640 0.000 0.000 0.231 394 D C 0.057 176.337 176.300 -0.034 0.000 1.160 394 D CA 1.383 55.377 54.000 -0.010 0.000 0.697 394 D CB -0.197 40.626 40.800 0.038 0.000 1.070 394 D HN 0.710 nan 8.370 nan 0.000 0.426 395 R N -0.954 119.511 120.500 -0.059 0.000 2.664 395 R HA 0.420 4.761 4.340 0.000 0.000 0.281 395 R C 0.206 176.472 176.300 -0.056 0.000 1.383 395 R CA -0.620 55.443 56.100 -0.062 0.000 1.563 395 R CB 0.911 31.160 30.300 -0.085 0.000 1.131 395 R HN -0.083 nan 8.270 nan 0.000 0.599 396 S N 1.664 117.330 115.700 -0.056 0.000 3.571 396 S HA -0.108 4.362 4.470 0.000 0.000 0.202 396 S C 0.132 174.691 174.600 -0.068 0.000 1.004 396 S CA 0.311 58.469 58.200 -0.071 0.000 1.098 396 S CB -0.685 62.447 63.200 -0.113 0.000 1.389 396 S HN 0.520 nan 8.310 nan 0.000 0.452 397 E N 1.323 121.519 120.200 -0.008 0.000 2.105 397 E HA 0.125 4.475 4.350 0.000 0.000 0.285 397 E C -0.848 175.845 176.600 0.156 0.000 1.055 397 E CA -0.268 56.155 56.400 0.037 0.000 0.843 397 E CB 0.299 30.011 29.700 0.020 0.000 1.067 397 E HN 0.484 nan 8.360 nan 0.000 0.398 398 Y N 4.332 124.625 120.300 -0.012 0.000 2.594 398 Y HA 0.199 4.749 4.550 0.000 0.000 0.344 398 Y C 0.744 176.626 175.900 -0.030 0.000 1.185 398 Y CA -0.581 57.514 58.100 -0.008 0.000 1.565 398 Y CB 0.309 38.776 38.460 0.012 0.000 1.415 398 Y HN 0.609 nan 8.280 nan 0.000 0.488 399 T N 1.732 116.304 114.554 0.029 0.000 2.780 399 T HA 0.488 4.838 4.350 0.000 0.000 0.294 399 T C 0.681 175.283 174.700 -0.164 0.000 0.949 399 T CA -0.368 61.697 62.100 -0.059 0.000 1.074 399 T CB 0.352 nan 68.868 nan 0.000 0.910 399 T HN 0.714 nan 8.240 nan 0.000 0.501 400 S N 0.449 116.050 115.700 -0.165 0.000 2.558 400 S HA 0.542 5.012 4.470 0.000 0.000 0.287 400 S C 1.516 175.970 174.600 -0.243 0.000 1.321 400 S CA 0.449 58.513 58.200 -0.226 0.000 1.048 400 S CB -0.197 nan 63.200 nan 0.000 0.844 400 S HN 1.795 nan 8.310 nan 0.000 0.512 401 L N 1.470 122.506 121.223 -0.310 0.000 2.541 401 L HA 0.745 5.086 4.340 0.000 0.000 0.187 401 L C 1.547 178.194 176.870 -0.372 0.000 1.098 401 L CA 1.001 55.651 54.840 -0.318 0.000 0.846 401 L CB -1.299 nan 42.059 nan 0.000 1.151 401 L HN 1.372 nan 8.230 nan 0.000 0.492 402 I N 0.073 120.421 120.570 -0.371 0.000 2.291 402 I HA 0.680 4.850 4.170 0.000 0.000 0.290 402 I C -1.930 174.024 176.117 -0.271 0.000 1.050 402 I CA -1.943 59.125 61.300 -0.387 0.000 1.245 402 I CB -0.029 nan 38.000 nan 0.000 1.405 402 I HN 0.248 nan 8.210 nan 0.000 0.478 403 P HA 0.052 nan 4.420 nan 0.000 0.233 403 P C 0.132 177.373 177.300 -0.099 0.000 1.576 403 P CA 0.743 63.750 63.100 -0.154 0.000 0.962 403 P CB -0.598 31.019 31.700 -0.138 0.000 1.859 404 N N -2.011 116.629 118.700 -0.100 0.000 2.641 404 N HA -0.211 4.529 4.740 0.000 0.000 0.267 404 N C -1.023 174.482 175.510 -0.008 0.000 1.087 404 N CA 1.212 54.231 53.050 -0.051 0.000 0.731 404 N CB -2.346 36.120 38.487 -0.035 0.000 0.886 404 N HN 0.126 nan 8.380 nan 0.000 0.547 405 L N -0.737 120.491 121.223 0.009 0.000 2.282 405 L HA 0.947 5.287 4.340 0.000 0.000 0.288 405 L C 1.523 178.445 176.870 0.086 0.000 1.033 405 L CA -0.610 54.284 54.840 0.090 0.000 0.807 405 L CB 0.395 42.588 42.059 0.223 0.000 1.209 405 L HN 1.018 nan 8.230 nan 0.000 0.423 406 R N 2.619 123.163 120.500 0.075 0.000 2.770 406 R HA 0.103 4.443 4.340 0.000 0.000 0.361 406 R C 0.818 177.160 176.300 0.070 0.000 0.860 406 R CA 0.972 57.108 56.100 0.059 0.000 1.071 406 R CB -1.850 28.478 30.300 0.047 0.000 0.907 406 R HN 1.650 nan 8.270 nan 0.000 0.403 407 N N 0.844 119.582 118.700 0.063 0.000 2.671 407 N HA -0.161 4.579 4.740 0.000 0.000 0.261 407 N C -0.002 175.564 175.510 0.093 0.000 1.053 407 N CA 0.476 53.565 53.050 0.065 0.000 0.732 407 N CB -0.467 38.052 38.487 0.053 0.000 0.887 407 N HN 0.679 nan 8.380 nan 0.000 0.546 408 V N 1.450 121.436 119.914 0.121 0.000 3.133 408 V HA 0.391 4.511 4.120 0.000 0.000 0.305 408 V C 0.888 177.071 176.094 0.149 0.000 1.084 408 V CA 0.309 62.719 62.300 0.184 0.000 1.089 408 V CB 1.815 33.791 31.823 0.255 0.000 1.073 408 V HN 0.154 nan 8.190 nan 0.000 0.477 409 V N 3.908 123.931 119.914 0.182 0.000 3.503 409 V HA 0.579 4.699 4.120 0.000 0.000 0.426 409 V C 0.007 176.225 176.094 0.206 0.000 1.555 409 V CA 0.393 62.794 62.300 0.168 0.000 1.586 409 V CB 0.326 32.235 31.823 0.143 0.000 1.152 409 V HN 1.228 nan 8.190 nan 0.000 0.571 410 A N 1.676 124.637 122.820 0.234 0.000 2.012 410 A HA 0.332 4.652 4.320 0.000 0.000 0.237 410 A C -0.461 177.287 177.584 0.273 0.000 1.940 410 A CA -0.576 51.615 52.037 0.258 0.000 1.903 410 A CB -0.408 18.746 19.000 0.257 0.000 0.745 410 A HN 0.575 nan 8.150 nan 0.000 0.926 411 L N -1.101 120.272 121.223 0.250 0.000 2.385 411 L HA 0.742 5.083 4.340 0.000 0.000 0.281 411 L C -0.572 176.445 176.870 0.245 0.000 1.106 411 L CA -0.221 54.762 54.840 0.238 0.000 0.856 411 L CB 0.428 42.557 42.059 0.116 0.000 1.186 411 L HN 0.220 nan 8.230 nan 0.000 0.453 412 D N 2.129 122.718 120.400 0.314 0.000 2.228 412 D HA 0.608 5.248 4.640 0.000 0.000 0.247 412 D C -0.447 176.049 176.300 0.327 0.000 0.995 412 D CA -0.019 54.185 54.000 0.341 0.000 0.903 412 D CB 2.401 43.439 40.800 0.397 0.000 1.205 412 D HN 0.720 nan 8.370 nan 0.000 0.459 413 T N 0.136 114.844 114.554 0.256 0.000 2.812 413 T HA 0.661 5.011 4.350 0.000 0.000 0.294 413 T C -1.881 172.911 174.700 0.153 0.000 1.159 413 T CA -0.631 61.521 62.100 0.086 0.000 1.008 413 T CB 1.125 70.037 68.868 0.074 0.000 1.289 413 T HN 0.532 nan 8.240 nan 0.000 0.514 414 E N 1.005 121.229 120.200 0.041 0.000 2.354 414 E HA 0.581 4.932 4.350 0.000 0.000 0.283 414 E C -1.503 175.094 176.600 -0.006 0.000 0.938 414 E CA -0.988 55.444 56.400 0.054 0.000 0.777 414 E CB 1.270 31.091 29.700 0.202 0.000 1.222 414 E HN 0.387 nan 8.360 nan 0.000 0.423 415 V N 1.957 121.809 119.914 -0.104 0.000 2.924 415 V HA 0.374 4.494 4.120 0.000 0.000 0.305 415 V C 1.172 177.213 176.094 -0.088 0.000 1.073 415 V CA 0.758 62.970 62.300 -0.147 0.000 1.098 415 V CB 0.959 32.569 31.823 -0.355 0.000 1.000 415 V HN 1.199 nan 8.190 nan 0.000 0.484 416 A N 3.217 125.995 122.820 -0.070 0.000 2.771 416 A HA -0.153 4.167 4.320 0.000 0.000 0.294 416 A C 0.461 178.043 177.584 -0.004 0.000 1.500 416 A CA 1.177 53.192 52.037 -0.036 0.000 0.829 416 A CB -1.579 17.386 19.000 -0.059 0.000 0.998 416 A HN 0.963 nan 8.150 nan 0.000 0.526 417 S N -1.378 114.328 115.700 0.010 0.000 2.570 417 S HA 0.460 4.930 4.470 0.000 0.000 0.286 417 S C -0.852 173.762 174.600 0.022 0.000 1.143 417 S CA -0.697 57.524 58.200 0.034 0.000 0.921 417 S CB 1.113 64.354 63.200 0.068 0.000 1.108 417 S HN 0.513 nan 8.310 nan 0.000 0.456 418 N N 1.929 120.634 118.700 0.008 0.000 2.546 418 N HA 0.752 5.492 4.740 0.000 0.000 0.238 418 N C 0.076 175.558 175.510 -0.045 0.000 0.984 418 N CA -0.286 52.755 53.050 -0.016 0.000 0.935 418 N CB 1.076 39.542 38.487 -0.034 0.000 1.122 418 N HN 0.765 nan 8.380 nan 0.000 0.510 419 R N 1.085 121.541 120.500 -0.074 0.000 2.728 419 R HA 0.828 5.168 4.340 0.000 0.000 0.274 419 R C -1.578 174.480 176.300 -0.402 0.000 1.030 419 R CA -0.742 55.245 56.100 -0.187 0.000 0.876 419 R CB 0.336 30.577 30.300 -0.099 0.000 1.259 419 R HN 0.636 nan 8.270 nan 0.000 0.468 420 I N -2.306 117.914 120.570 -0.584 0.000 3.004 420 I HA 0.945 5.116 4.170 0.000 0.000 0.305 420 I C -1.404 174.408 176.117 -0.507 0.000 1.312 420 I CA -1.356 59.561 61.300 -0.638 0.000 0.992 420 I CB 2.703 40.456 38.000 -0.412 0.000 1.282 420 I HN 0.826 nan 8.210 nan 0.000 0.449 421 Y N 1.478 121.989 120.300 0.352 0.000 2.597 421 Y HA 0.783 5.333 4.550 0.000 0.000 0.340 421 Y C -0.988 175.309 175.900 0.662 0.000 1.097 421 Y CA -0.878 57.595 58.100 0.620 0.000 1.037 421 Y CB 1.392 40.001 38.460 0.248 0.000 1.305 421 Y HN 0.959 nan 8.280 nan 0.000 0.463 422 W N -1.099 120.305 121.300 0.174 0.000 2.988 422 W HA 0.693 5.353 4.660 0.000 0.000 0.355 422 W C -1.290 175.261 176.519 0.054 0.000 1.233 422 W CA -1.471 55.931 57.345 0.095 0.000 1.176 422 W CB 1.250 30.735 29.460 0.041 0.000 1.477 422 W HN 0.533 nan 8.180 nan 0.000 0.582 423 S N 1.489 117.274 115.700 0.142 0.000 3.036 423 S HA 0.125 4.595 4.470 0.000 0.000 0.301 423 S C -0.526 174.064 174.600 -0.016 0.000 1.205 423 S CA -0.323 57.872 58.200 -0.008 0.000 0.999 423 S CB -0.026 63.233 63.200 0.099 0.000 1.337 423 S HN 0.431 nan 8.310 nan 0.000 0.515 424 D N 1.880 122.158 120.400 -0.202 0.000 2.345 424 D HA 0.176 4.816 4.640 0.000 0.000 0.247 424 D C -0.095 176.186 176.300 -0.031 0.000 1.108 424 D CA -0.470 53.509 54.000 -0.036 0.000 0.894 424 D CB 1.238 42.012 40.800 -0.043 0.000 1.203 424 D HN 0.524 nan 8.370 nan 0.000 0.430 425 L N 2.619 123.856 121.223 0.024 0.000 3.209 425 L HA 0.275 4.615 4.340 0.000 0.000 0.279 425 L C 0.060 176.940 176.870 0.017 0.000 1.301 425 L CA 0.150 55.001 54.840 0.017 0.000 1.004 425 L CB 0.085 42.170 42.059 0.044 0.000 1.402 425 L HN 0.313 nan 8.230 nan 0.000 0.577 426 S N 0.277 115.981 115.700 0.008 0.000 2.690 426 S HA 0.308 4.778 4.470 0.000 0.000 0.227 426 S C -0.433 174.164 174.600 -0.004 0.000 0.750 426 S CA -0.175 58.030 58.200 0.009 0.000 1.015 426 S CB -0.239 62.976 63.200 0.026 0.000 1.556 426 S HN 0.354 nan 8.310 nan 0.000 0.487 427 Q N 1.122 120.906 119.800 -0.027 0.000 3.958 427 Q HA 0.265 4.605 4.340 0.000 0.000 0.162 427 Q C -0.117 175.833 176.000 -0.084 0.000 0.731 427 Q CA 0.376 56.148 55.803 -0.052 0.000 0.883 427 Q CB -0.409 28.301 28.738 -0.046 0.000 1.557 427 Q HN 0.419 nan 8.270 nan 0.000 0.405 428 R N 2.466 122.923 120.500 -0.073 0.000 3.419 428 R HA 0.349 4.690 4.340 0.000 0.000 0.236 428 R C 0.317 176.543 176.300 -0.125 0.000 1.375 428 R CA 1.289 57.338 56.100 -0.085 0.000 0.977 428 R CB -1.302 28.957 30.300 -0.068 0.000 1.121 428 R HN 0.608 nan 8.270 nan 0.000 0.516 429 M N 0.148 119.648 119.600 -0.165 0.000 2.363 429 M HA 0.393 4.873 4.480 0.000 0.000 0.256 429 M C -0.735 175.380 176.300 -0.309 0.000 1.005 429 M CA -0.851 54.313 55.300 -0.225 0.000 0.890 429 M CB 1.060 33.544 32.600 -0.194 0.000 2.101 429 M HN 0.358 nan 8.290 nan 0.000 0.476 430 I N 0.301 120.643 120.570 -0.380 0.000 2.834 430 I HA 0.913 5.083 4.170 0.000 0.000 0.305 430 I C -0.786 174.947 176.117 -0.640 0.000 1.008 430 I CA -0.220 60.776 61.300 -0.507 0.000 1.273 430 I CB 1.697 39.447 38.000 -0.418 0.000 1.432 430 I HN 0.900 nan 8.210 nan 0.000 0.557 431 C N 1.831 120.496 119.300 -1.059 0.000 3.154 431 C HA 0.808 5.268 4.460 0.000 0.000 0.312 431 C C 0.007 174.591 174.990 -0.676 0.000 1.349 431 C CA -0.324 58.074 59.018 -1.033 0.000 1.518 431 C CB 1.953 28.964 27.740 -1.215 0.000 1.934 431 C HN 0.966 nan 8.230 nan 0.000 0.462 432 S N 0.137 115.830 115.700 -0.012 0.000 2.599 432 S HA 0.900 5.370 4.470 0.000 0.000 0.287 432 S C -1.043 173.908 174.600 0.586 0.000 1.105 432 S CA -0.256 58.316 58.200 0.620 0.000 0.899 432 S CB 2.151 65.745 63.200 0.657 0.000 1.100 432 S HN 0.978 nan 8.310 nan 0.000 0.482 433 T N 1.184 116.026 114.554 0.480 0.000 2.840 433 T HA 0.453 4.803 4.350 0.000 0.000 0.317 433 T C -2.135 172.613 174.700 0.080 0.000 1.401 433 T CA -0.519 61.820 62.100 0.399 0.000 1.028 433 T CB 1.765 70.801 68.868 0.281 0.000 1.317 433 T HN 0.623 nan 8.240 nan 0.000 0.495 434 Q N 2.931 122.604 119.800 -0.212 0.000 2.400 434 Q HA 0.357 4.697 4.340 0.000 0.000 0.255 434 Q C -0.694 175.150 176.000 -0.260 0.000 1.008 434 Q CA -0.762 54.893 55.803 -0.248 0.000 0.841 434 Q CB 1.322 29.861 28.738 -0.332 0.000 1.220 434 Q HN 0.496 nan 8.270 nan 0.000 0.474 435 L N 4.230 125.354 121.223 -0.164 0.000 2.791 435 L HA -0.077 4.263 4.340 0.000 0.000 0.276 435 L C 0.004 176.800 176.870 -0.124 0.000 1.136 435 L CA 1.447 56.200 54.840 -0.145 0.000 1.008 435 L CB -0.230 41.761 42.059 -0.113 0.000 1.348 435 L HN 0.523 nan 8.230 nan 0.000 0.476 436 D N 1.923 122.244 120.400 -0.132 0.000 4.051 436 D HA -0.007 4.633 4.640 0.000 0.000 0.224 436 D C 0.533 176.772 176.300 -0.102 0.000 1.327 436 D CA -0.047 53.893 54.000 -0.100 0.000 0.794 436 D CB -0.079 40.667 40.800 -0.091 0.000 1.621 436 D HN 0.351 nan 8.370 nan 0.000 0.649 437 R N 1.293 121.724 120.500 -0.115 0.000 2.998 437 R HA 0.435 4.775 4.340 0.000 0.000 0.274 437 R C 0.702 176.958 176.300 -0.073 0.000 1.393 437 R CA 0.858 56.898 56.100 -0.100 0.000 0.983 437 R CB -1.496 28.736 30.300 -0.112 0.000 1.111 437 R HN 0.280 nan 8.270 nan 0.000 0.514 438 A N 1.335 124.120 122.820 -0.057 0.000 2.462 438 A HA 0.500 4.820 4.320 0.000 0.000 0.243 438 A C 1.113 178.676 177.584 -0.034 0.000 1.076 438 A CA 0.318 52.330 52.037 -0.041 0.000 0.773 438 A CB -0.353 18.629 19.000 -0.030 0.000 1.010 438 A HN 1.707 nan 8.150 nan 0.000 0.493 439 H N 0.871 119.922 119.070 -0.032 0.000 5.055 439 H HA 0.392 4.949 4.556 0.000 0.000 0.163 439 H C 0.936 176.254 175.328 -0.017 0.000 0.878 439 H CA 1.072 57.104 56.048 -0.028 0.000 1.395 439 H CB -0.763 28.983 29.762 -0.025 0.000 1.592 439 H HN 1.835 nan 8.280 nan 0.000 0.926 443 S N 0.614 116.360 115.700 0.077 0.000 3.078 443 S HA 0.374 4.844 4.470 0.000 0.000 0.248 443 S C -1.193 173.525 174.600 0.197 0.000 0.857 443 S CA -0.317 57.945 58.200 0.104 0.000 1.139 443 S CB 0.313 63.572 63.200 0.099 0.000 1.186 443 S HN 0.595 nan 8.310 nan 0.000 0.567 444 Y N 2.893 123.221 120.300 0.046 0.000 2.472 444 Y HA 0.251 4.801 4.550 0.000 0.000 0.324 444 Y C -1.185 174.769 175.900 0.090 0.000 1.160 444 Y CA -0.790 57.345 58.100 0.058 0.000 1.381 444 Y CB 0.525 39.019 38.460 0.056 0.000 1.125 444 Y HN 0.309 nan 8.280 nan 0.000 0.541 445 D N 1.461 121.766 120.400 -0.158 0.000 2.969 445 D HA 0.153 4.793 4.640 0.000 0.000 0.317 445 D C -0.782 175.439 176.300 -0.132 0.000 1.650 445 D CA -0.151 53.816 54.000 -0.055 0.000 0.789 445 D CB 0.411 41.251 40.800 0.067 0.000 1.277 445 D HN 0.232 nan 8.370 nan 0.000 0.463 446 T N 0.094 114.542 114.554 -0.176 0.000 2.900 446 T HA 0.592 4.942 4.350 0.000 0.000 0.295 446 T C -1.123 173.468 174.700 -0.181 0.000 1.044 446 T CA -0.598 61.395 62.100 -0.179 0.000 0.995 446 T CB 2.772 71.544 68.868 -0.159 0.000 1.072 446 T HN -0.009 nan 8.240 nan 0.000 0.473 447 V N 3.506 123.285 119.914 -0.224 0.000 2.781 447 V HA 0.397 4.517 4.120 0.000 0.000 0.289 447 V C -0.712 175.203 176.094 -0.298 0.000 1.275 447 V CA -0.638 61.519 62.300 -0.239 0.000 0.936 447 V CB 1.502 33.178 31.823 -0.244 0.000 1.074 447 V HN 1.010 nan 8.190 nan 0.000 0.444 448 I N 5.457 125.866 120.570 -0.268 0.000 6.738 448 I HA -0.183 3.987 4.170 0.000 0.000 0.126 448 I C 0.916 176.880 176.117 -0.255 0.000 1.829 448 I CA 1.382 62.507 61.300 -0.293 0.000 2.040 448 I CB 0.019 37.731 38.000 -0.479 0.000 3.535 448 I HN 0.831 nan 8.210 nan 0.000 0.170 449 S N 2.549 118.136 115.700 -0.189 0.000 2.677 449 S HA 0.686 5.156 4.470 0.000 0.000 0.246 449 S C 0.848 175.375 174.600 -0.121 0.000 1.005 449 S CA 0.279 58.386 58.200 -0.156 0.000 1.062 449 S CB 0.318 63.435 63.200 -0.138 0.000 0.778 449 S HN 1.152 nan 8.310 nan 0.000 0.461 450 R N 0.507 120.939 120.500 -0.113 0.000 2.488 450 R HA 0.447 4.787 4.340 0.000 0.000 0.215 450 R C -0.932 175.334 176.300 -0.057 0.000 1.293 450 R CA -0.268 55.784 56.100 -0.080 0.000 1.343 450 R CB -0.971 29.288 30.300 -0.069 0.000 1.425 450 R HN 0.323 nan 8.270 nan 0.000 0.788 451 D N 0.870 121.236 120.400 -0.057 0.000 2.686 451 D HA 0.165 4.805 4.640 0.000 0.000 0.229 451 D C -0.282 176.014 176.300 -0.006 0.000 1.391 451 D CA 0.042 54.036 54.000 -0.009 0.000 0.948 451 D CB 0.326 41.150 40.800 0.041 0.000 1.513 451 D HN 0.601 nan 8.370 nan 0.000 0.522 456 D N 1.955 122.461 120.400 0.176 0.000 3.134 456 D HA 0.499 5.139 4.640 0.000 0.000 0.248 456 D C 0.837 177.281 176.300 0.239 0.000 1.273 456 D CA 0.701 54.827 54.000 0.211 0.000 0.904 456 D CB 0.410 41.350 40.800 0.234 0.000 1.089 456 D HN 0.667 nan 8.370 nan 0.000 0.478 457 G N -0.508 108.435 108.800 0.238 0.000 2.326 457 G HA2 0.274 4.234 3.960 0.000 0.000 0.413 457 G HA3 0.274 4.234 3.960 0.000 0.000 0.413 457 G C -1.444 173.624 174.900 0.280 0.000 1.444 457 G CA -1.015 44.243 45.100 0.264 0.000 1.002 457 G HN 0.161 nan 8.290 nan 0.000 0.649 458 L N -0.648 120.753 121.223 0.297 0.000 2.654 458 L HA 1.002 5.342 4.340 0.000 0.000 0.257 458 L C 0.167 177.237 176.870 0.334 0.000 1.093 458 L CA -0.632 54.403 54.840 0.325 0.000 0.903 458 L CB 1.736 43.976 42.059 0.301 0.000 1.520 458 L HN 2.013 nan 8.230 nan 0.000 0.402 459 A N -0.206 122.832 122.820 0.363 0.000 2.597 459 A HA 0.818 5.138 4.320 0.000 0.000 0.292 459 A C -1.895 175.933 177.584 0.406 0.000 1.057 459 A CA -0.548 51.706 52.037 0.362 0.000 0.674 459 A CB 1.545 20.718 19.000 0.289 0.000 1.278 459 A HN 0.345 nan 8.150 nan 0.000 0.416 460 V N 1.069 121.240 119.914 0.427 0.000 2.769 460 V HA 0.602 4.722 4.120 0.000 0.000 0.312 460 V C -0.695 175.613 176.094 0.357 0.000 1.061 460 V CA -0.689 61.867 62.300 0.426 0.000 0.931 460 V CB 1.947 34.090 31.823 0.532 0.000 1.010 460 V HN 0.944 nan 8.190 nan 0.000 0.433 461 D N 1.953 122.521 120.400 0.280 0.000 2.181 461 D HA 0.337 4.977 4.640 0.000 0.000 0.248 461 D C -0.608 175.792 176.300 0.167 0.000 1.020 461 D CA -0.585 53.460 54.000 0.074 0.000 0.891 461 D CB 2.061 42.955 40.800 0.157 0.000 1.187 461 D HN 0.696 nan 8.370 nan 0.000 0.443 462 W N 4.154 125.527 121.300 0.122 0.000 2.075 462 W HA 0.342 5.002 4.660 0.000 0.000 0.332 462 W C -0.071 176.453 176.519 0.009 0.000 0.905 462 W CA -0.767 56.626 57.345 0.081 0.000 2.126 462 W CB -0.982 28.527 29.460 0.081 0.000 1.143 462 W HN 0.320 nan 8.180 nan 0.000 0.542 463 I N -1.867 118.731 120.570 0.047 0.000 4.014 463 I HA 0.420 4.591 4.170 0.000 0.000 0.339 463 I C -1.067 174.970 176.117 -0.133 0.000 1.357 463 I CA -0.297 60.981 61.300 -0.038 0.000 1.070 463 I CB -0.417 37.499 38.000 -0.140 0.000 1.809 463 I HN 0.068 nan 8.210 nan 0.000 0.664 464 H N 0.529 119.632 119.070 0.055 0.000 2.941 464 H HA 0.244 4.800 4.556 0.000 0.000 0.291 464 H C -0.502 174.863 175.328 0.062 0.000 1.361 464 H CA -0.530 55.547 56.048 0.048 0.000 1.606 464 H CB 1.258 31.045 29.762 0.043 0.000 1.848 464 H HN 0.132 nan 8.280 nan 0.000 0.601 465 S N 3.611 119.417 115.700 0.177 0.000 2.808 465 S HA 0.002 4.473 4.470 0.000 0.000 0.342 465 S C -0.240 174.421 174.600 0.101 0.000 1.154 465 S CA 0.232 58.514 58.200 0.137 0.000 1.476 465 S CB -0.605 62.663 63.200 0.112 0.000 1.290 465 S HN 0.513 nan 8.310 nan 0.000 0.582 466 N N 3.250 122.008 118.700 0.097 0.000 2.431 466 N HA 0.416 5.157 4.740 0.000 0.000 0.275 466 N C -1.109 174.387 175.510 -0.023 0.000 1.091 466 N CA -0.545 52.521 53.050 0.026 0.000 0.922 466 N CB 1.365 39.881 38.487 0.047 0.000 1.666 466 N HN 0.411 nan 8.380 nan 0.000 0.484 467 I N 0.712 121.200 120.570 -0.137 0.000 3.294 467 I HA 0.589 4.759 4.170 0.000 0.000 0.311 467 I C -1.172 174.659 176.117 -0.476 0.000 1.111 467 I CA -0.762 60.433 61.300 -0.176 0.000 0.976 467 I CB 1.899 39.880 38.000 -0.032 0.000 1.260 467 I HN 0.439 nan 8.210 nan 0.000 0.474 468 Y N 0.854 121.313 120.300 0.265 0.000 2.669 468 Y HA 0.606 5.156 4.550 0.000 0.000 0.335 468 Y C -1.117 175.112 175.900 0.548 0.000 1.116 468 Y CA -0.522 57.755 58.100 0.294 0.000 1.081 468 Y CB 1.609 40.149 38.460 0.134 0.000 1.297 468 Y HN 0.678 nan 8.280 nan 0.000 0.484 469 W N -1.543 119.873 121.300 0.193 0.000 3.138 469 W HA 0.507 5.168 4.660 0.000 0.000 0.332 469 W C -2.255 174.292 176.519 0.046 0.000 1.090 469 W CA -1.043 56.365 57.345 0.105 0.000 1.091 469 W CB 0.922 30.410 29.460 0.045 0.000 1.445 469 W HN 0.550 nan 8.180 nan 0.000 0.559 470 T N 2.402 117.128 114.554 0.287 0.000 2.791 470 T HA 0.266 4.616 4.350 0.000 0.000 0.288 470 T C -1.445 173.412 174.700 0.262 0.000 0.999 470 T CA -0.282 61.876 62.100 0.096 0.000 0.952 470 T CB 0.485 69.373 68.868 0.032 0.000 0.938 470 T HN 0.554 nan 8.240 nan 0.000 0.444 471 D N 3.139 123.681 120.400 0.236 0.000 2.233 471 D HA 0.263 4.903 4.640 0.000 0.000 0.240 471 D C 0.259 176.613 176.300 0.090 0.000 1.074 471 D CA -0.429 53.719 54.000 0.247 0.000 0.838 471 D CB 1.530 42.518 40.800 0.313 0.000 1.124 471 D HN 0.446 nan 8.370 nan 0.000 0.475 472 S N 2.179 117.925 115.700 0.077 0.000 3.305 472 S HA 0.094 4.565 4.470 0.000 0.000 0.248 472 S C 0.393 174.998 174.600 0.008 0.000 1.288 472 S CA -0.401 57.817 58.200 0.029 0.000 1.249 472 S CB -0.273 62.961 63.200 0.057 0.000 1.116 472 S HN 0.281 nan 8.310 nan 0.000 0.465 473 V N 2.127 122.041 119.914 0.001 0.000 2.539 473 V HA 0.329 4.449 4.120 0.000 0.000 0.292 473 V C 0.020 176.083 176.094 -0.052 0.000 1.045 473 V CA -0.764 61.526 62.300 -0.017 0.000 0.945 473 V CB 1.621 33.438 31.823 -0.009 0.000 0.993 473 V HN 0.480 nan 8.190 nan 0.000 0.464 474 L N 5.521 126.699 121.223 -0.076 0.000 2.328 474 L HA 0.643 4.983 4.340 0.000 0.000 0.280 474 L C 0.663 177.453 176.870 -0.133 0.000 1.111 474 L CA 0.118 54.889 54.840 -0.115 0.000 0.909 474 L CB 0.478 42.454 42.059 -0.139 0.000 1.277 474 L HN 0.915 nan 8.230 nan 0.000 0.433 475 G N 1.326 110.050 108.800 -0.126 0.000 2.243 475 G HA2 0.111 4.071 3.960 0.000 0.000 0.231 475 G HA3 0.111 4.071 3.960 0.000 0.000 0.231 475 G C -0.418 174.403 174.900 -0.132 0.000 2.559 475 G CA -0.217 44.799 45.100 -0.140 0.000 1.110 475 G HN 0.584 nan 8.290 nan 0.000 0.618 476 T N -2.674 111.824 114.554 -0.092 0.000 2.792 476 T HA 0.923 5.273 4.350 0.000 0.000 0.303 476 T C -0.631 173.923 174.700 -0.244 0.000 1.310 476 T CA -0.384 61.627 62.100 -0.148 0.000 1.007 476 T CB 3.079 71.861 68.868 -0.143 0.000 1.335 476 T HN 1.433 nan 8.240 nan 0.000 0.504 477 V N -0.099 119.607 119.914 -0.346 0.000 3.301 477 V HA 0.931 5.051 4.120 0.000 0.000 0.291 477 V C -0.634 175.106 176.094 -0.589 0.000 1.549 477 V CA -0.248 61.796 62.300 -0.427 0.000 1.061 477 V CB 1.512 33.152 31.823 -0.305 0.000 1.154 477 V HN 1.825 nan 8.190 nan 0.000 0.466 478 S N -0.351 114.982 115.700 -0.612 0.000 2.647 478 S HA 0.723 5.193 4.470 0.000 0.000 0.276 478 S C -1.667 172.578 174.600 -0.592 0.000 1.184 478 S CA -0.015 57.737 58.200 -0.747 0.000 1.025 478 S CB 1.260 63.492 63.200 -1.614 0.000 1.238 478 S HN 2.320 nan 8.310 nan 0.000 0.472 479 V N -0.042 119.512 119.914 -0.601 0.000 2.852 479 V HA 0.856 4.976 4.120 0.000 0.000 0.300 479 V C -0.658 175.437 176.094 0.002 0.000 1.205 479 V CA 0.260 62.284 62.300 -0.459 0.000 0.940 479 V CB 1.042 32.507 31.823 -0.597 0.000 1.047 479 V HN 2.159 nan 8.190 nan 0.000 0.429 480 A N 4.338 127.395 122.820 0.395 0.000 2.330 480 A HA 0.858 5.178 4.320 0.000 0.000 0.329 480 A C -0.512 177.105 177.584 0.055 0.000 1.135 480 A CA -0.617 51.623 52.037 0.338 0.000 0.817 480 A CB 1.542 20.647 19.000 0.174 0.000 1.269 480 A HN 0.935 nan 8.150 nan 0.000 0.469 481 D N -0.258 120.137 120.400 -0.008 0.000 2.451 481 D HA 0.476 5.116 4.640 0.000 0.000 0.259 481 D C 0.145 176.408 176.300 -0.061 0.000 1.201 481 D CA 0.272 54.243 54.000 -0.047 0.000 1.028 481 D CB 1.198 41.958 40.800 -0.066 0.000 1.095 481 D HN 0.429 nan 8.370 nan 0.000 0.539 482 T N 0.974 115.502 114.554 -0.043 0.000 2.882 482 T HA 0.165 4.515 4.350 0.000 0.000 0.287 482 T C -0.017 174.667 174.700 -0.026 0.000 1.014 482 T CA -0.326 61.756 62.100 -0.030 0.000 1.049 482 T CB 0.537 69.415 68.868 0.016 0.000 1.001 482 T HN 0.341 nan 8.240 nan 0.000 0.525 483 K N 0.604 120.998 120.400 -0.010 0.000 3.117 483 K HA -0.171 4.149 4.320 0.000 0.000 0.269 483 K C 0.749 177.326 176.600 -0.039 0.000 1.098 483 K CA 0.472 56.759 56.287 -0.000 0.000 0.785 483 K CB -2.171 30.335 32.500 0.010 0.000 1.242 483 K HN 1.259 nan 8.250 nan 0.000 0.491 484 G N 0.097 108.855 108.800 -0.071 0.000 2.396 484 G HA2 -0.187 3.773 3.960 0.000 0.000 0.288 484 G HA3 -0.187 3.773 3.960 0.000 0.000 0.288 484 G C 0.085 174.928 174.900 -0.094 0.000 0.926 484 G CA 0.471 45.509 45.100 -0.103 0.000 1.211 484 G HN 0.508 nan 8.290 nan 0.000 0.496 485 V N 0.571 120.434 119.914 -0.085 0.000 3.483 485 V HA 0.450 4.570 4.120 0.000 0.000 0.269 485 V C -0.484 175.545 176.094 -0.108 0.000 0.854 485 V CA -0.907 61.340 62.300 -0.087 0.000 1.169 485 V CB 1.079 32.852 31.823 -0.082 0.000 0.867 485 V HN 0.481 nan 8.190 nan 0.000 0.497 486 K N 2.312 122.658 120.400 -0.091 0.000 2.545 486 K HA 0.370 4.690 4.320 0.000 0.000 0.287 486 K C -1.218 175.376 176.600 -0.008 0.000 1.074 486 K CA -0.496 55.711 56.287 -0.133 0.000 1.048 486 K CB 2.684 35.079 32.500 -0.175 0.000 1.384 486 K HN 0.581 nan 8.250 nan 0.000 0.440 487 R N 1.397 121.938 120.500 0.069 0.000 2.538 487 R HA 0.665 5.005 4.340 0.000 0.000 0.292 487 R C -1.320 175.079 176.300 0.165 0.000 1.008 487 R CA -0.440 55.749 56.100 0.149 0.000 0.896 487 R CB 1.481 31.887 30.300 0.177 0.000 1.187 487 R HN 0.655 nan 8.270 nan 0.000 0.440 488 K N 1.872 122.326 120.400 0.091 0.000 2.471 488 K HA 0.439 4.759 4.320 0.000 0.000 0.252 488 K C -0.794 175.756 176.600 -0.085 0.000 0.938 488 K CA -0.643 55.661 56.287 0.028 0.000 0.796 488 K CB 1.975 34.500 32.500 0.042 0.000 1.161 488 K HN 0.614 nan 8.250 nan 0.000 0.425 489 T N 1.782 116.281 114.554 -0.091 0.000 2.902 489 T HA 0.825 5.175 4.350 0.000 0.000 0.280 489 T C -0.107 174.515 174.700 -0.130 0.000 0.992 489 T CA -0.408 61.593 62.100 -0.165 0.000 1.015 489 T CB 0.271 69.073 68.868 -0.110 0.000 1.044 489 T HN 0.499 nan 8.240 nan 0.000 0.520 490 L N 0.712 121.849 121.223 -0.143 0.000 2.622 490 L HA 0.454 4.794 4.340 0.000 0.000 0.258 490 L C -0.791 176.079 176.870 0.001 0.000 0.996 490 L CA -1.109 53.700 54.840 -0.051 0.000 0.858 490 L CB 1.776 43.830 42.059 -0.008 0.000 1.449 490 L HN 0.737 nan 8.230 nan 0.000 0.411 491 F N 1.652 121.531 119.950 -0.118 0.000 3.039 491 F HA -0.196 4.331 4.527 0.000 0.000 0.287 491 F C 0.421 176.131 175.800 -0.150 0.000 0.956 491 F CA 0.191 58.114 58.000 -0.128 0.000 0.971 491 F CB -0.544 38.316 39.000 -0.234 0.000 0.943 491 F HN 0.479 nan 8.300 nan 0.000 0.766 492 R N 1.990 122.277 120.500 -0.356 0.000 2.623 492 R HA 0.363 4.703 4.340 0.000 0.000 0.271 492 R C 0.202 176.101 176.300 -0.668 0.000 1.043 492 R CA 0.501 56.373 56.100 -0.379 0.000 1.083 492 R CB 1.108 31.268 30.300 -0.233 0.000 0.974 492 R HN 0.479 nan 8.270 nan 0.000 0.436 493 E N 1.610 121.474 120.200 -0.560 0.000 3.311 493 E HA -0.022 4.328 4.350 0.000 0.000 0.384 493 E C -1.468 174.955 176.600 -0.295 0.000 0.981 493 E CA -0.033 56.044 56.400 -0.538 0.000 0.754 493 E CB 0.333 29.447 29.700 -0.976 0.000 1.369 493 E HN 0.416 nan 8.360 nan 0.000 0.448 494 Q N 2.633 122.313 119.800 -0.199 0.000 3.170 494 Q HA 0.464 4.804 4.340 0.000 0.000 0.346 494 Q C -0.218 175.711 176.000 -0.118 0.000 1.333 494 Q CA 0.270 55.987 55.803 -0.143 0.000 0.958 494 Q CB 0.830 29.500 28.738 -0.113 0.000 1.600 494 Q HN 0.522 nan 8.270 nan 0.000 0.482 495 G N 0.458 109.185 108.800 -0.122 0.000 2.152 495 G HA2 0.319 4.279 3.960 0.000 0.000 0.290 495 G HA3 0.319 4.279 3.960 0.000 0.000 0.290 495 G C -0.472 174.371 174.900 -0.095 0.000 1.307 495 G CA -0.456 44.582 45.100 -0.103 0.000 1.289 495 G HN 0.143 nan 8.290 nan 0.000 0.612 496 S N 1.318 116.909 115.700 -0.180 0.000 2.653 496 S HA 0.090 4.560 4.470 0.000 0.000 0.155 496 S C 0.276 174.603 174.600 -0.455 0.000 0.868 496 S CA -0.725 57.374 58.200 -0.169 0.000 0.958 496 S CB 0.043 63.208 63.200 -0.059 0.000 1.694 496 S HN 0.385 nan 8.310 nan 0.000 0.550 497 K N 0.919 120.805 120.400 -0.856 0.000 2.773 497 K HA 0.149 4.469 4.320 0.000 0.000 0.222 497 K C -2.273 173.419 176.600 -1.514 0.000 0.985 497 K CA -1.103 54.384 56.287 -1.333 0.000 1.126 497 K CB -1.422 29.954 32.500 -1.874 0.000 0.919 497 K HN 0.429 nan 8.250 nan 0.000 0.487 498 P HA -0.103 nan 4.420 nan 0.000 0.271 498 P C 0.284 177.651 177.300 0.112 0.000 1.197 498 P CA 0.705 63.676 63.100 -0.215 0.000 0.777 498 P CB 0.339 31.894 31.700 -0.241 0.000 0.827 499 R N 0.267 120.949 120.500 0.304 0.000 2.470 499 R HA 0.481 4.821 4.340 0.000 0.000 0.312 499 R C -1.627 174.872 176.300 0.331 0.000 0.760 499 R CA -0.028 56.278 56.100 0.343 0.000 0.970 499 R CB 0.019 30.593 30.300 0.457 0.000 1.480 499 R HN 0.500 nan 8.270 nan 0.000 0.586 500 A N 1.551 124.547 122.820 0.293 0.000 2.508 500 A HA 0.453 4.773 4.320 0.000 0.000 0.297 500 A C -1.052 176.715 177.584 0.305 0.000 1.036 500 A CA -0.695 51.526 52.037 0.306 0.000 0.957 500 A CB 0.480 19.677 19.000 0.329 0.000 1.428 500 A HN 0.402 nan 8.150 nan 0.000 0.393 501 I N 0.169 120.908 120.570 0.283 0.000 3.006 501 I HA 0.938 5.108 4.170 0.000 0.000 0.306 501 I C -1.228 175.042 176.117 0.256 0.000 1.250 501 I CA -1.235 60.233 61.300 0.280 0.000 0.996 501 I CB 2.461 40.611 38.000 0.249 0.000 1.261 501 I HN 0.914 nan 8.210 nan 0.000 0.442 502 V N 2.619 122.677 119.914 0.240 0.000 2.971 502 V HA 0.833 4.953 4.120 0.000 0.000 0.309 502 V C -0.405 175.800 176.094 0.184 0.000 1.130 502 V CA -0.633 61.809 62.300 0.237 0.000 0.964 502 V CB 1.051 33.028 31.823 0.256 0.000 1.029 502 V HN 0.848 nan 8.190 nan 0.000 0.427 503 V N -0.554 119.426 119.914 0.110 0.000 2.630 503 V HA 0.749 4.869 4.120 0.000 0.000 0.305 503 V C -0.536 175.606 176.094 0.079 0.000 1.046 503 V CA -0.240 62.054 62.300 -0.010 0.000 0.934 503 V CB 1.798 33.497 31.823 -0.207 0.000 1.003 503 V HN 1.019 nan 8.190 nan 0.000 0.451 504 D N 3.865 124.375 120.400 0.184 0.000 2.479 504 D HA 0.463 5.103 4.640 0.000 0.000 0.247 504 D C -2.525 173.906 176.300 0.218 0.000 1.119 504 D CA -2.011 52.157 54.000 0.281 0.000 0.922 504 D CB 1.248 42.321 40.800 0.455 0.000 1.014 504 D HN 0.378 nan 8.370 nan 0.000 0.510 505 P HA -0.137 nan 4.420 nan 0.000 0.272 505 P C 0.616 177.892 177.300 -0.041 0.000 1.225 505 P CA 0.001 62.966 63.100 -0.224 0.000 0.800 505 P CB 0.586 31.943 31.700 -0.573 0.000 0.894 506 V N 0.357 120.189 119.914 -0.137 0.000 4.448 506 V HA -0.240 3.880 4.120 0.000 0.000 0.248 506 V C -0.916 174.898 176.094 -0.466 0.000 0.492 506 V CA 1.613 63.774 62.300 -0.233 0.000 0.835 506 V CB -1.928 29.713 31.823 -0.303 0.000 0.834 506 V HN 0.644 nan 8.190 nan 0.000 1.243 507 H N -1.257 117.831 119.070 0.030 0.000 3.298 507 H HA 0.331 4.887 4.556 0.000 0.000 0.328 507 H C 1.064 176.013 175.328 -0.632 0.000 1.278 507 H CA -0.031 55.979 56.048 -0.063 0.000 1.609 507 H CB 1.001 31.119 29.762 0.594 0.000 2.082 507 H HN 0.252 nan 8.280 nan 0.000 0.465 508 G N 3.530 111.897 108.800 -0.721 0.000 2.985 508 G HA2 -0.396 3.564 3.960 0.000 0.000 0.304 508 G HA3 -0.396 3.564 3.960 0.000 0.000 0.304 508 G C 0.769 175.360 174.900 -0.515 0.000 1.164 508 G CA 1.478 46.182 45.100 -0.660 0.000 0.988 508 G HN 0.538 nan 8.290 nan 0.000 0.737 509 F N 0.458 120.377 119.950 -0.051 0.000 2.314 509 F HA 0.188 4.715 4.527 0.000 0.000 0.208 509 F C 0.970 176.583 175.800 -0.311 0.000 0.744 509 F CA 1.344 59.203 58.000 -0.235 0.000 0.966 509 F CB -0.084 38.731 39.000 -0.308 0.000 0.856 509 F HN 0.687 nan 8.300 nan 0.000 0.666 510 M N -0.838 118.605 119.600 -0.262 0.000 3.015 510 M HA 0.648 5.128 4.480 0.000 0.000 0.272 510 M C -2.395 173.553 176.300 -0.587 0.000 1.085 510 M CA -1.013 54.117 55.300 -0.282 0.000 0.795 510 M CB 2.155 34.538 32.600 -0.362 0.000 1.632 510 M HN 0.553 nan 8.290 nan 0.000 0.535 511 Y N -0.792 119.490 120.300 -0.029 0.000 2.728 511 Y HA 0.881 5.431 4.550 0.000 0.000 0.330 511 Y C -1.196 174.749 175.900 0.075 0.000 1.234 511 Y CA -0.159 57.852 58.100 -0.149 0.000 1.070 511 Y CB 1.773 40.119 38.460 -0.189 0.000 1.300 511 Y HN 1.048 nan 8.280 nan 0.000 0.467 512 W N -1.732 119.588 121.300 0.033 0.000 2.799 512 W HA 0.751 5.411 4.660 0.000 0.000 0.416 512 W C -2.272 174.241 176.519 -0.011 0.000 1.108 512 W CA -1.104 56.241 57.345 -0.001 0.000 1.169 512 W CB 0.252 29.671 29.460 -0.069 0.000 1.471 512 W HN 0.417 nan 8.180 nan 0.000 0.586 513 T N 2.408 117.317 114.554 0.591 0.000 2.945 513 T HA 0.579 4.929 4.350 0.000 0.000 0.286 513 T C -1.190 173.809 174.700 0.498 0.000 1.025 513 T CA -0.092 62.291 62.100 0.470 0.000 1.039 513 T CB 1.505 70.642 68.868 0.450 0.000 1.068 513 T HN 0.665 nan 8.240 nan 0.000 0.497 514 D N 0.161 120.858 120.400 0.496 0.000 2.926 514 D HA 0.123 4.763 4.640 0.000 0.000 0.282 514 D C -1.954 174.688 176.300 0.569 0.000 1.201 514 D CA -0.575 53.593 54.000 0.279 0.000 0.735 514 D CB 1.003 41.894 40.800 0.152 0.000 1.257 514 D HN 0.847 nan 8.370 nan 0.000 0.428 515 W N 1.403 122.755 121.300 0.086 0.000 0.818 515 W HA 0.554 5.214 4.660 0.000 0.000 0.322 515 W C 0.039 176.588 176.519 0.051 0.000 0.895 515 W CA -0.329 57.069 57.345 0.088 0.000 1.174 515 W CB -0.492 29.026 29.460 0.098 0.000 1.212 515 W HN 0.520 nan 8.180 nan 0.000 0.497 516 G N 1.482 110.260 108.800 -0.036 0.000 2.355 516 G HA2 0.134 4.095 3.960 0.000 0.000 0.175 516 G HA3 0.134 4.095 3.960 0.000 0.000 0.175 516 G C 0.604 175.525 174.900 0.035 0.000 1.624 516 G CA 1.358 46.416 45.100 -0.069 0.000 1.021 516 G HN 0.231 nan 8.290 nan 0.000 0.465 517 T N 1.606 116.182 114.554 0.036 0.000 3.163 517 T HA 0.332 4.682 4.350 0.000 0.000 0.252 517 T C -1.689 173.068 174.700 0.094 0.000 1.056 517 T CA -0.244 61.887 62.100 0.053 0.000 0.947 517 T CB 0.420 69.292 68.868 0.007 0.000 1.016 517 T HN 0.122 nan 8.240 nan 0.000 0.554 518 P HA 0.760 nan 4.420 nan 0.000 0.317 518 P C -0.735 176.675 177.300 0.184 0.000 1.301 518 P CA -0.610 62.564 63.100 0.124 0.000 0.799 518 P CB 1.006 32.770 31.700 0.106 0.000 1.344 519 A N -2.050 120.875 122.820 0.175 0.000 3.019 519 A HA 0.545 4.865 4.320 0.000 0.000 0.202 519 A C 0.227 177.890 177.584 0.132 0.000 0.924 519 A CA -0.192 51.980 52.037 0.225 0.000 1.156 519 A CB -0.946 18.211 19.000 0.262 0.000 1.265 519 A HN 0.432 nan 8.150 nan 0.000 0.526 520 K N 0.044 120.500 120.400 0.093 0.000 2.148 520 K HA 0.905 5.225 4.320 0.000 0.000 0.239 520 K C -0.141 176.427 176.600 -0.054 0.000 1.018 520 K CA -0.049 56.235 56.287 -0.005 0.000 0.923 520 K CB 0.660 33.156 32.500 -0.007 0.000 1.117 520 K HN 0.449 nan 8.250 nan 0.000 0.477 521 I N -0.347 120.090 120.570 -0.220 0.000 3.449 521 I HA 0.776 4.946 4.170 0.000 0.000 0.294 521 I C 0.415 176.112 176.117 -0.700 0.000 1.163 521 I CA -1.003 60.056 61.300 -0.402 0.000 1.010 521 I CB 2.231 39.988 38.000 -0.404 0.000 1.307 521 I HN 0.808 nan 8.210 nan 0.000 0.518 522 K N 0.749 120.426 120.400 -1.205 0.000 2.551 522 K HA 0.783 5.103 4.320 0.000 0.000 0.269 522 K C -0.817 175.109 176.600 -1.123 0.000 0.949 522 K CA -0.662 54.793 56.287 -1.385 0.000 0.849 522 K CB 1.175 32.247 32.500 -2.379 0.000 1.411 522 K HN 0.627 nan 8.250 nan 0.000 0.432 523 K N 0.661 120.456 120.400 -1.008 0.000 2.250 523 K HA 0.616 4.936 4.320 0.000 0.000 0.280 523 K C 0.698 176.828 176.600 -0.783 0.000 1.098 523 K CA -0.166 55.558 56.287 -0.939 0.000 0.916 523 K CB 0.499 32.394 32.500 -1.008 0.000 1.209 523 K HN 1.590 nan 8.250 nan 0.000 0.461 524 G N 1.956 110.307 108.800 -0.747 0.000 2.690 524 G HA2 0.418 4.378 3.960 0.000 0.000 0.294 524 G HA3 0.418 4.378 3.960 0.000 0.000 0.294 524 G C 0.695 175.513 174.900 -0.137 0.000 0.793 524 G CA 0.192 45.122 45.100 -0.284 0.000 1.818 524 G HN 1.014 nan 8.290 nan 0.000 0.515 525 G N 1.568 110.343 108.800 -0.041 0.000 2.254 525 G HA2 0.237 4.197 3.960 0.000 0.000 0.253 525 G HA3 0.237 4.197 3.960 0.000 0.000 0.253 525 G C 0.401 175.287 174.900 -0.022 0.000 1.246 525 G CA -0.458 44.652 45.100 0.016 0.000 0.946 525 G HN 0.769 nan 8.290 nan 0.000 0.474 526 L N 2.708 123.880 121.223 -0.085 0.000 2.437 526 L HA 0.349 4.689 4.340 0.000 0.000 0.243 526 L C 0.659 177.563 176.870 0.055 0.000 1.346 526 L CA -0.150 54.698 54.840 0.013 0.000 1.233 526 L CB -0.954 41.115 42.059 0.017 0.000 1.436 526 L HN 0.757 nan 8.230 nan 0.000 0.416 527 N N 1.292 120.023 118.700 0.052 0.000 3.660 527 N HA 0.039 4.779 4.740 0.000 0.000 0.128 527 N C 0.943 176.477 175.510 0.040 0.000 1.022 527 N CA 0.329 53.406 53.050 0.045 0.000 2.474 527 N CB -0.227 38.274 38.487 0.023 0.000 1.518 527 N HN 0.508 nan 8.380 nan 0.000 0.750 528 G N 0.127 108.964 108.800 0.061 0.000 2.793 528 G HA2 -0.467 3.493 3.960 0.000 0.000 0.240 528 G HA3 -0.467 3.493 3.960 0.000 0.000 0.240 528 G C 1.084 176.030 174.900 0.076 0.000 1.022 528 G CA 1.440 46.583 45.100 0.071 0.000 0.711 528 G HN 0.502 nan 8.290 nan 0.000 0.578 529 V N 0.151 120.097 119.914 0.053 0.000 2.794 529 V HA -0.008 4.112 4.120 0.000 0.000 0.260 529 V C 1.164 177.306 176.094 0.079 0.000 1.103 529 V CA 2.136 64.469 62.300 0.055 0.000 1.125 529 V CB -0.277 31.567 31.823 0.035 0.000 0.702 529 V HN 0.508 nan 8.190 nan 0.000 0.494 530 D N -0.264 120.186 120.400 0.085 0.000 2.656 530 D HA 0.349 4.989 4.640 0.000 0.000 0.303 530 D C -0.382 175.969 176.300 0.085 0.000 1.199 530 D CA -0.308 53.769 54.000 0.128 0.000 0.797 530 D CB 0.228 41.141 40.800 0.187 0.000 1.170 530 D HN 0.256 nan 8.370 nan 0.000 0.509 531 I N 2.772 123.406 120.570 0.106 0.000 2.416 531 I HA 0.176 4.346 4.170 0.000 0.000 0.288 531 I C -0.634 175.569 176.117 0.144 0.000 1.051 531 I CA -0.526 60.804 61.300 0.050 0.000 1.375 531 I CB 0.460 38.570 38.000 0.183 0.000 1.407 531 I HN 0.177 nan 8.210 nan 0.000 0.516 532 Y N 3.225 123.446 120.300 -0.132 0.000 2.264 532 Y HA 0.341 4.891 4.550 0.000 0.000 0.321 532 Y C -0.382 175.406 175.900 -0.186 0.000 1.199 532 Y CA -1.520 56.515 58.100 -0.109 0.000 1.175 532 Y CB -0.242 38.174 38.460 -0.073 0.000 1.213 532 Y HN 0.531 nan 8.280 nan 0.000 0.414 533 S N 4.595 120.290 115.700 -0.008 0.000 2.673 533 S HA 0.247 4.717 4.470 0.000 0.000 0.308 533 S C -0.334 174.244 174.600 -0.037 0.000 1.246 533 S CA -0.269 57.880 58.200 -0.084 0.000 1.077 533 S CB 0.767 63.976 63.200 0.014 0.000 0.814 533 S HN 0.883 nan 8.310 nan 0.000 0.503 534 L N 4.046 125.175 121.223 -0.157 0.000 2.342 534 L HA 0.586 4.927 4.340 0.000 0.000 0.271 534 L C -0.117 176.658 176.870 -0.159 0.000 1.008 534 L CA -0.880 53.888 54.840 -0.120 0.000 0.818 534 L CB 1.746 43.690 42.059 -0.191 0.000 1.296 534 L HN 0.739 nan 8.230 nan 0.000 0.427 535 V N 1.694 121.541 119.914 -0.111 0.000 5.691 535 V HA -0.252 3.868 4.120 0.000 0.000 0.288 535 V C 0.826 176.871 176.094 -0.082 0.000 0.615 535 V CA 1.289 63.522 62.300 -0.112 0.000 0.619 535 V CB -2.918 28.755 31.823 -0.250 0.000 0.296 535 V HN 1.053 nan 8.190 nan 0.000 0.834 536 T N 0.535 115.069 114.554 -0.033 0.000 4.678 536 T HA 0.350 4.701 4.350 0.000 0.000 0.230 536 T C 0.115 174.830 174.700 0.024 0.000 0.757 536 T CA 1.469 63.570 62.100 0.001 0.000 0.966 536 T CB -0.579 68.300 68.868 0.019 0.000 1.424 536 T HN 0.980 nan 8.240 nan 0.000 0.886 537 E N 1.437 121.653 120.200 0.027 0.000 2.401 537 E HA 0.094 4.444 4.350 0.000 0.000 0.276 537 E C -0.418 176.232 176.600 0.083 0.000 1.184 537 E CA -0.511 55.924 56.400 0.058 0.000 0.902 537 E CB 0.177 29.906 29.700 0.050 0.000 1.356 537 E HN 0.204 nan 8.360 nan 0.000 0.420 538 N N 0.846 119.601 118.700 0.090 0.000 2.696 538 N HA -0.220 4.520 4.740 0.000 0.000 0.249 538 N C -0.982 174.606 175.510 0.130 0.000 1.090 538 N CA 0.602 53.712 53.050 0.101 0.000 0.716 538 N CB -0.426 38.125 38.487 0.106 0.000 1.020 538 N HN 0.297 nan 8.380 nan 0.000 0.548 539 I N 1.210 121.860 120.570 0.132 0.000 2.647 539 I HA 0.448 4.619 4.170 0.000 0.000 0.295 539 I C -1.068 175.171 176.117 0.203 0.000 1.078 539 I CA -0.185 61.211 61.300 0.160 0.000 1.048 539 I CB 1.966 40.038 38.000 0.120 0.000 1.239 539 I HN 0.119 nan 8.210 nan 0.000 0.421 540 Q N 6.833 126.765 119.800 0.219 0.000 2.364 540 Q HA 0.128 4.468 4.340 0.000 0.000 0.257 540 Q C -1.319 174.841 176.000 0.266 0.000 0.956 540 Q CA -0.361 55.633 55.803 0.318 0.000 0.924 540 Q CB 2.195 31.067 28.738 0.223 0.000 1.413 540 Q HN 0.789 nan 8.270 nan 0.000 0.418 541 W N 3.426 124.798 121.300 0.119 0.000 5.655 541 W HA -0.141 4.519 4.660 0.000 0.000 0.428 541 W C -2.623 173.763 176.519 -0.222 0.000 1.712 541 W CA -0.078 57.120 57.345 -0.245 0.000 0.956 541 W CB -1.206 27.953 29.460 -0.501 0.000 2.931 541 W HN 0.403 nan 8.180 nan 0.000 1.293 542 P HA 0.051 nan 4.420 nan 0.000 0.278 542 P C 0.189 177.615 177.300 0.210 0.000 1.270 542 P CA 0.890 64.134 63.100 0.240 0.000 0.800 542 P CB 0.409 32.299 31.700 0.316 0.000 1.142 543 N N -1.372 117.489 118.700 0.267 0.000 3.493 543 N HA 0.340 5.080 4.740 0.000 0.000 0.143 543 N C -1.245 174.423 175.510 0.263 0.000 1.104 543 N CA 0.742 53.935 53.050 0.240 0.000 2.174 543 N CB -0.411 38.164 38.487 0.147 0.000 1.577 543 N HN 0.698 nan 8.380 nan 0.000 0.716 544 G N 0.610 109.599 108.800 0.314 0.000 2.650 544 G HA2 0.148 4.108 3.960 0.000 0.000 0.686 544 G HA3 0.148 4.108 3.960 0.000 0.000 0.686 544 G C -1.145 173.934 174.900 0.299 0.000 1.205 544 G CA -0.390 44.898 45.100 0.313 0.000 0.781 544 G HN 0.446 nan 8.290 nan 0.000 0.648 545 I N -0.411 120.335 120.570 0.293 0.000 2.951 545 I HA 0.729 4.899 4.170 0.000 0.000 0.304 545 I C -0.365 175.910 176.117 0.264 0.000 1.550 545 I CA -0.053 61.416 61.300 0.282 0.000 0.947 545 I CB 2.488 40.650 38.000 0.270 0.000 1.351 545 I HN 1.209 nan 8.210 nan 0.000 0.548 546 T N 3.036 117.733 114.554 0.238 0.000 2.749 546 T HA 0.711 5.061 4.350 0.000 0.000 0.310 546 T C -2.279 172.529 174.700 0.180 0.000 1.496 546 T CA -0.358 61.880 62.100 0.230 0.000 1.006 546 T CB 1.510 70.532 68.868 0.257 0.000 1.457 546 T HN 0.554 nan 8.240 nan 0.000 0.497 547 L N 2.019 123.348 121.223 0.177 0.000 2.466 547 L HA 0.687 5.027 4.340 0.000 0.000 0.258 547 L C -1.602 175.342 176.870 0.123 0.000 0.973 547 L CA -0.508 54.405 54.840 0.122 0.000 0.826 547 L CB 2.321 44.435 42.059 0.093 0.000 1.372 547 L HN 0.639 nan 8.230 nan 0.000 0.409 548 D N 3.137 123.580 120.400 0.071 0.000 2.411 548 D HA 0.148 4.788 4.640 0.000 0.000 0.225 548 D C 0.341 176.675 176.300 0.057 0.000 1.156 548 D CA -0.081 53.951 54.000 0.053 0.000 0.874 548 D CB 0.877 41.687 40.800 0.015 0.000 1.034 548 D HN 0.536 nan 8.370 nan 0.000 0.502 549 L N 4.826 126.110 121.223 0.101 0.000 2.798 549 L HA 0.179 4.519 4.340 0.000 0.000 0.254 549 L C -0.297 176.628 176.870 0.091 0.000 1.176 549 L CA 0.438 55.361 54.840 0.139 0.000 0.991 549 L CB -0.374 41.830 42.059 0.242 0.000 1.225 549 L HN 0.372 nan 8.230 nan 0.000 0.420 550 L N -0.594 120.648 121.223 0.031 0.000 2.511 550 L HA 0.340 4.680 4.340 0.000 0.000 0.252 550 L C 0.656 177.521 176.870 -0.007 0.000 1.542 550 L CA -0.039 54.802 54.840 0.002 0.000 0.822 550 L CB 0.195 42.217 42.059 -0.062 0.000 1.050 550 L HN 0.122 nan 8.230 nan 0.000 0.516 551 S N 0.761 116.463 115.700 0.003 0.000 3.614 551 S HA -0.154 4.316 4.470 0.000 0.000 0.360 551 S C 0.819 175.397 174.600 -0.037 0.000 1.023 551 S CA 0.747 58.933 58.200 -0.024 0.000 1.114 551 S CB -1.364 61.827 63.200 -0.015 0.000 0.907 551 S HN 1.038 nan 8.310 nan 0.000 0.470 552 G N 1.339 110.119 108.800 -0.032 0.000 2.432 552 G HA2 0.492 4.452 3.960 0.000 0.000 0.257 552 G HA3 0.492 4.452 3.960 0.000 0.000 0.257 552 G C 0.172 175.040 174.900 -0.054 0.000 1.238 552 G CA -0.726 44.357 45.100 -0.029 0.000 0.838 552 G HN 0.755 nan 8.290 nan 0.000 0.547 553 R N -0.365 120.113 120.500 -0.036 0.000 2.580 553 R HA 0.677 5.017 4.340 0.000 0.000 0.267 553 R C 0.438 176.731 176.300 -0.011 0.000 1.125 553 R CA -0.804 55.272 56.100 -0.041 0.000 1.188 553 R CB -0.152 30.138 30.300 -0.017 0.000 1.155 553 R HN 0.491 nan 8.270 nan 0.000 0.586 554 L N -0.472 120.763 121.223 0.021 0.000 2.426 554 L HA 0.508 4.848 4.340 0.000 0.000 0.271 554 L C 0.251 177.244 176.870 0.205 0.000 1.169 554 L CA -0.264 54.642 54.840 0.110 0.000 0.836 554 L CB -0.744 41.393 42.059 0.130 0.000 1.112 554 L HN 0.807 nan 8.230 nan 0.000 0.465 555 Y N 1.727 122.145 120.300 0.197 0.000 2.350 555 Y HA 0.749 5.299 4.550 0.000 0.000 0.338 555 Y C -0.755 175.305 175.900 0.266 0.000 0.961 555 Y CA -1.081 57.094 58.100 0.127 0.000 1.100 555 Y CB 1.163 39.674 38.460 0.084 0.000 1.179 555 Y HN 1.736 nan 8.280 nan 0.000 0.454 556 W N 2.554 123.846 121.300 -0.013 0.000 3.075 556 W HA 0.781 5.442 4.660 0.000 0.000 0.334 556 W C -1.525 174.965 176.519 -0.049 0.000 1.243 556 W CA -1.285 56.062 57.345 0.002 0.000 1.170 556 W CB 1.003 30.472 29.460 0.016 0.000 1.452 556 W HN 0.955 nan 8.180 nan 0.000 0.572 557 V N 0.293 120.333 119.914 0.211 0.000 2.588 557 V HA 0.549 4.670 4.120 0.000 0.000 0.304 557 V C -1.147 175.013 176.094 0.110 0.000 1.042 557 V CA -0.717 61.559 62.300 -0.040 0.000 0.877 557 V CB 1.577 33.325 31.823 -0.124 0.000 0.996 557 V HN 0.598 nan 8.190 nan 0.000 0.425 558 D N 3.218 123.597 120.400 -0.035 0.000 2.233 558 D HA 0.493 5.134 4.640 0.000 0.000 0.240 558 D C 0.623 176.744 176.300 -0.299 0.000 1.074 558 D CA -0.210 53.777 54.000 -0.021 0.000 0.838 558 D CB 2.257 43.071 40.800 0.024 0.000 1.124 558 D HN 0.610 nan 8.370 nan 0.000 0.475 559 S N 1.153 116.569 115.700 -0.474 0.000 2.475 559 S HA -0.060 4.411 4.470 0.000 0.000 0.224 559 S C 1.243 175.148 174.600 -1.157 0.000 1.042 559 S CA 0.380 58.071 58.200 -0.848 0.000 0.935 559 S CB 0.327 62.857 63.200 -1.116 0.000 0.801 559 S HN 0.168 nan 8.310 nan 0.000 0.509 560 K N 1.974 121.649 120.400 -1.209 0.000 3.127 560 K HA 0.425 4.745 4.320 0.000 0.000 0.236 560 K C -1.108 175.017 176.600 -0.792 0.000 1.271 560 K CA -0.107 55.458 56.287 -1.203 0.000 1.224 560 K CB -0.815 30.864 32.500 -1.367 0.000 1.482 560 K HN 0.161 nan 8.250 nan 0.000 0.435 561 L N 2.708 123.523 121.223 -0.680 0.000 2.572 561 L HA 0.089 4.429 4.340 0.000 0.000 0.249 561 L C -0.754 175.875 176.870 -0.402 0.000 1.114 561 L CA -0.596 54.004 54.840 -0.400 0.000 0.933 561 L CB 0.700 42.630 42.059 -0.216 0.000 1.131 561 L HN 0.329 nan 8.230 nan 0.000 0.507 562 H N 1.856 120.750 119.070 -0.293 0.000 4.637 562 H HA 0.092 4.649 4.556 0.000 0.000 0.182 562 H C 0.596 175.751 175.328 -0.288 0.000 0.980 562 H CA 0.922 56.791 56.048 -0.297 0.000 1.427 562 H CB 0.021 29.634 29.762 -0.247 0.000 1.639 562 H HN 0.586 nan 8.280 nan 0.000 0.839 563 S N 1.993 117.534 115.700 -0.266 0.000 2.683 563 S HA 0.583 5.053 4.470 0.000 0.000 0.269 563 S C -1.250 173.099 174.600 -0.419 0.000 1.165 563 S CA -1.034 56.980 58.200 -0.310 0.000 0.840 563 S CB 1.941 64.991 63.200 -0.249 0.000 1.169 563 S HN 0.354 nan 8.310 nan 0.000 0.490 564 I N 1.975 122.267 120.570 -0.464 0.000 2.685 564 I HA 0.598 4.768 4.170 0.000 0.000 0.289 564 I C -1.191 174.539 176.117 -0.645 0.000 1.292 564 I CA -0.020 60.925 61.300 -0.591 0.000 1.050 564 I CB 1.815 39.489 38.000 -0.545 0.000 1.301 564 I HN 1.076 nan 8.210 nan 0.000 0.425 565 S N 4.091 119.171 115.700 -1.034 0.000 2.632 565 S HA 0.830 5.300 4.470 0.000 0.000 0.289 565 S C -0.797 173.278 174.600 -0.876 0.000 1.115 565 S CA -0.626 57.026 58.200 -0.913 0.000 0.889 565 S CB 1.936 64.598 63.200 -0.897 0.000 1.116 565 S HN 0.643 nan 8.310 nan 0.000 0.486 566 S N 0.871 116.336 115.700 -0.390 0.000 2.568 566 S HA 0.853 5.323 4.470 0.000 0.000 0.302 566 S C -0.718 173.933 174.600 0.086 0.000 1.082 566 S CA -0.777 57.367 58.200 -0.095 0.000 1.009 566 S CB 1.188 64.344 63.200 -0.074 0.000 1.069 566 S HN 1.013 nan 8.310 nan 0.000 0.500 567 I N 1.012 121.683 120.570 0.169 0.000 2.743 567 I HA 0.284 4.454 4.170 0.000 0.000 0.292 567 I C -1.701 174.425 176.117 0.013 0.000 1.343 567 I CA -0.699 60.678 61.300 0.128 0.000 1.038 567 I CB 1.997 40.138 38.000 0.235 0.000 1.311 567 I HN 0.588 nan 8.210 nan 0.000 0.426 568 D N 4.689 125.077 120.400 -0.020 0.000 2.406 568 D HA 0.026 4.666 4.640 0.000 0.000 0.234 568 D C 1.067 177.285 176.300 -0.136 0.000 1.196 568 D CA 0.111 54.068 54.000 -0.071 0.000 0.881 568 D CB 0.773 41.544 40.800 -0.050 0.000 1.205 568 D HN 0.352 nan 8.370 nan 0.000 0.453 569 V N -1.478 118.313 119.914 -0.204 0.000 3.458 569 V HA 0.141 4.261 4.120 0.000 0.000 0.318 569 V C -0.120 175.869 176.094 -0.175 0.000 1.182 569 V CA 0.085 62.196 62.300 -0.314 0.000 1.303 569 V CB -1.723 29.858 31.823 -0.402 0.000 1.073 569 V HN 0.429 nan 8.190 nan 0.000 0.418 570 N N -0.604 118.032 118.700 -0.106 0.000 2.647 570 N HA 0.523 5.264 4.740 0.000 0.000 0.259 570 N C 0.927 176.422 175.510 -0.025 0.000 1.098 570 N CA 0.102 53.131 53.050 -0.036 0.000 0.984 570 N CB 1.592 40.064 38.487 -0.025 0.000 1.683 570 N HN 0.145 nan 8.380 nan 0.000 0.501 571 G N 1.775 110.573 108.800 -0.004 0.000 2.864 571 G HA2 -0.339 3.621 3.960 0.000 0.000 0.250 571 G HA3 -0.339 3.621 3.960 0.000 0.000 0.250 571 G C 0.938 175.839 174.900 0.002 0.000 1.154 571 G CA 1.161 46.263 45.100 0.002 0.000 0.755 571 G HN 1.305 nan 8.290 nan 0.000 0.697 572 G N 0.462 109.261 108.800 -0.001 0.000 2.158 572 G HA2 -0.101 3.860 3.960 0.000 0.000 0.257 572 G HA3 -0.101 3.860 3.960 0.000 0.000 0.257 572 G C 0.336 175.237 174.900 0.001 0.000 0.811 572 G CA 1.028 46.126 45.100 -0.003 0.000 1.178 572 G HN 1.597 nan 8.290 nan 0.000 0.389 573 N N -2.983 115.722 118.700 0.009 0.000 2.643 573 N HA -0.140 4.600 4.740 0.000 0.000 0.267 573 N C 0.692 176.216 175.510 0.023 0.000 1.158 573 N CA 1.450 54.506 53.050 0.010 0.000 0.684 573 N CB -1.666 36.820 38.487 -0.002 0.000 0.879 573 N HN 1.508 nan 8.380 nan 0.000 0.553 574 R N 0.315 120.847 120.500 0.053 0.000 2.522 574 R HA 0.541 4.881 4.340 0.000 0.000 0.284 574 R C 0.911 177.224 176.300 0.022 0.000 1.032 574 R CA 0.794 56.953 56.100 0.097 0.000 1.049 574 R CB -0.201 30.221 30.300 0.205 0.000 0.956 574 R HN 0.752 nan 8.270 nan 0.000 0.422 575 K N 2.375 122.762 120.400 -0.021 0.000 2.292 575 K HA 0.482 4.802 4.320 0.000 0.000 0.270 575 K C 0.151 176.664 176.600 -0.146 0.000 1.062 575 K CA -0.286 55.960 56.287 -0.069 0.000 0.916 575 K CB 0.497 32.961 32.500 -0.059 0.000 1.166 575 K HN 0.811 nan 8.250 nan 0.000 0.458 576 T N 2.768 117.237 114.554 -0.141 0.000 2.940 576 T HA 0.436 4.786 4.350 0.000 0.000 0.309 576 T C 0.222 174.806 174.700 -0.192 0.000 1.056 576 T CA 0.421 62.408 62.100 -0.188 0.000 1.137 576 T CB -0.267 68.524 68.868 -0.129 0.000 0.976 576 T HN 0.540 nan 8.240 nan 0.000 0.547 577 I N 3.725 124.148 120.570 -0.244 0.000 2.685 577 I HA 0.179 4.349 4.170 0.000 0.000 0.289 577 I C -0.297 175.678 176.117 -0.235 0.000 1.292 577 I CA -0.920 60.250 61.300 -0.216 0.000 1.050 577 I CB 1.799 39.673 38.000 -0.210 0.000 1.301 577 I HN 0.521 nan 8.210 nan 0.000 0.425 578 L N 3.678 124.791 121.223 -0.182 0.000 3.737 578 L HA -0.230 4.111 4.340 0.000 0.000 0.418 578 L C 0.732 177.490 176.870 -0.187 0.000 1.216 578 L CA 1.860 56.597 54.840 -0.172 0.000 0.915 578 L CB -1.163 40.800 42.059 -0.160 0.000 1.834 578 L HN 1.002 nan 8.230 nan 0.000 0.943 579 E N 0.567 120.660 120.200 -0.179 0.000 2.465 579 E HA 0.427 4.777 4.350 0.000 0.000 0.260 579 E C 0.177 176.685 176.600 -0.155 0.000 0.980 579 E CA 0.712 57.012 56.400 -0.167 0.000 0.927 579 E CB 0.523 30.141 29.700 -0.137 0.000 0.934 579 E HN 0.482 nan 8.360 nan 0.000 0.459 580 D N 0.901 121.202 120.400 -0.166 0.000 2.937 580 D HA 0.183 4.823 4.640 0.000 0.000 0.215 580 D C -0.515 175.622 176.300 -0.270 0.000 1.274 580 D CA -0.460 53.422 54.000 -0.196 0.000 0.869 580 D CB 1.325 42.035 40.800 -0.150 0.000 1.675 580 D HN 0.448 nan 8.370 nan 0.000 0.538 581 E N 2.166 122.111 120.200 -0.425 0.000 2.322 581 E HA 0.146 4.496 4.350 0.000 0.000 0.195 581 E C -0.288 175.894 176.600 -0.697 0.000 1.198 581 E CA 0.350 56.342 56.400 -0.680 0.000 1.132 581 E CB 0.106 29.242 29.700 -0.939 0.000 1.213 581 E HN 0.140 nan 8.360 nan 0.000 0.450 582 K N -0.663 119.528 120.400 -0.348 0.000 2.572 582 K HA 0.486 4.807 4.320 0.000 0.000 0.263 582 K C -0.376 176.271 176.600 0.078 0.000 0.932 582 K CA -0.572 55.630 56.287 -0.142 0.000 0.838 582 K CB 1.883 34.280 32.500 -0.172 0.000 1.366 582 K HN 0.004 nan 8.250 nan 0.000 0.425 583 R N 0.636 121.280 120.500 0.239 0.000 3.336 583 R HA -0.159 4.181 4.340 0.000 0.000 0.260 583 R C -0.718 175.942 176.300 0.600 0.000 1.032 583 R CA 1.567 58.010 56.100 0.572 0.000 0.693 583 R CB -2.602 28.043 30.300 0.575 0.000 1.134 583 R HN 0.655 nan 8.270 nan 0.000 0.433 584 L N -3.169 118.238 121.223 0.306 0.000 2.982 584 L HA 0.715 5.056 4.340 0.000 0.000 0.262 584 L C -0.584 176.333 176.870 0.078 0.000 0.932 584 L CA 0.952 55.856 54.840 0.107 0.000 1.058 584 L CB 1.575 43.591 42.059 -0.072 0.000 1.665 584 L HN 1.997 nan 8.230 nan 0.000 0.499 585 A N 2.987 125.845 122.820 0.062 0.000 2.598 585 A HA 0.460 4.780 4.320 0.000 0.000 0.302 585 A C -0.606 176.952 177.584 -0.043 0.000 0.955 585 A CA -0.236 51.855 52.037 0.090 0.000 0.734 585 A CB 0.135 19.263 19.000 0.213 0.000 1.192 585 A HN 1.339 nan 8.150 nan 0.000 0.391 586 H N -1.055 117.756 119.070 -0.430 0.000 2.394 586 H HA -0.140 4.416 4.556 0.000 0.000 0.322 586 H C -2.254 172.500 175.328 -0.957 0.000 1.012 586 H CA 1.315 56.906 56.048 -0.762 0.000 1.084 586 H CB -1.479 28.110 29.762 -0.290 0.000 1.597 586 H HN 0.449 nan 8.280 nan 0.000 0.375 587 P HA 0.009 nan 4.420 nan 0.000 0.273 587 P C 0.530 177.518 177.300 -0.522 0.000 1.258 587 P CA 0.432 63.367 63.100 -0.275 0.000 0.802 587 P CB 0.377 31.948 31.700 -0.216 0.000 1.040 588 F N -2.128 117.960 119.950 0.230 0.000 2.965 588 F HA 0.161 4.688 4.527 0.000 0.000 0.321 588 F C 0.230 176.179 175.800 0.248 0.000 1.274 588 F CA 0.113 58.255 58.000 0.237 0.000 0.929 588 F CB 0.406 39.534 39.000 0.214 0.000 1.528 588 F HN 0.098 nan 8.300 nan 0.000 0.494 589 S N 0.321 116.250 115.700 0.382 0.000 2.671 589 S HA 0.803 5.273 4.470 0.000 0.000 0.270 589 S C -2.115 172.690 174.600 0.341 0.000 1.166 589 S CA -0.712 57.705 58.200 0.362 0.000 0.868 589 S CB 2.264 65.679 63.200 0.357 0.000 1.190 589 S HN 0.047 nan 8.310 nan 0.000 0.494 590 L N 0.630 122.064 121.223 0.353 0.000 3.206 590 L HA 0.670 5.010 4.340 0.000 0.000 0.260 590 L C -1.998 175.086 176.870 0.357 0.000 0.959 590 L CA 0.245 55.291 54.840 0.343 0.000 1.061 590 L CB 0.943 43.160 42.059 0.264 0.000 1.760 590 L HN 1.139 nan 8.230 nan 0.000 0.495 591 A N 3.742 126.809 122.820 0.412 0.000 2.465 591 A HA 0.771 5.092 4.320 0.000 0.000 0.292 591 A C -1.383 176.510 177.584 0.515 0.000 1.041 591 A CA -0.080 52.216 52.037 0.431 0.000 0.718 591 A CB 1.800 21.045 19.000 0.407 0.000 1.266 591 A HN 1.560 nan 8.150 nan 0.000 0.403 592 V N 0.343 120.514 119.914 0.428 0.000 2.326 592 V HA 0.821 4.941 4.120 0.000 0.000 0.281 592 V C -0.792 175.575 176.094 0.456 0.000 1.015 592 V CA -0.606 61.927 62.300 0.389 0.000 0.823 592 V CB 0.421 32.376 31.823 0.220 0.000 1.009 592 V HN 0.751 nan 8.190 nan 0.000 0.436 593 F N 2.444 122.652 119.950 0.430 0.000 2.440 593 F HA 0.687 5.214 4.527 0.000 0.000 0.328 593 F C 0.750 176.710 175.800 0.266 0.000 1.070 593 F CA -1.033 57.166 58.000 0.333 0.000 1.011 593 F CB 1.617 40.809 39.000 0.320 0.000 1.226 593 F HN 0.615 nan 8.300 nan 0.000 0.491 594 E N 3.762 123.587 120.200 -0.624 0.000 2.924 594 E HA -0.038 4.313 4.350 0.000 0.000 0.236 594 E C -0.006 176.577 176.600 -0.028 0.000 1.028 594 E CA 1.268 57.514 56.400 -0.257 0.000 0.952 594 E CB -0.628 28.910 29.700 -0.270 0.000 0.918 594 E HN 0.547 nan 8.360 nan 0.000 0.536 595 D N 2.998 123.397 120.400 -0.001 0.000 2.699 595 D HA -0.257 4.383 4.640 0.000 0.000 0.239 595 D C -0.799 175.510 176.300 0.015 0.000 1.136 595 D CA 0.697 54.703 54.000 0.011 0.000 0.668 595 D CB -1.049 39.756 40.800 0.008 0.000 1.060 595 D HN 0.352 nan 8.370 nan 0.000 0.429 596 K N -0.559 119.854 120.400 0.021 0.000 2.569 596 K HA 0.474 4.794 4.320 0.000 0.000 0.259 596 K C -1.305 175.215 176.600 -0.133 0.000 0.932 596 K CA -0.758 55.473 56.287 -0.094 0.000 0.833 596 K CB 2.854 35.334 32.500 -0.033 0.000 1.340 596 K HN 0.059 nan 8.250 nan 0.000 0.429 597 V N 3.510 123.242 119.914 -0.304 0.000 2.919 597 V HA 0.778 4.898 4.120 0.000 0.000 0.316 597 V C -1.545 174.305 176.094 -0.406 0.000 1.077 597 V CA -0.459 61.774 62.300 -0.112 0.000 0.977 597 V CB 1.397 33.249 31.823 0.050 0.000 1.039 597 V HN 0.641 nan 8.190 nan 0.000 0.441 598 F N 3.556 123.709 119.950 0.338 0.000 2.626 598 F HA 0.849 5.376 4.527 0.000 0.000 0.311 598 F C -0.882 175.179 175.800 0.436 0.000 1.088 598 F CA -0.653 57.505 58.000 0.263 0.000 0.949 598 F CB 2.031 41.125 39.000 0.156 0.000 1.322 598 F HN 0.706 nan 8.300 nan 0.000 0.461 599 W N -0.207 121.230 121.300 0.229 0.000 3.645 599 W HA 0.429 5.089 4.660 0.000 0.000 0.285 599 W C -1.546 174.991 176.519 0.030 0.000 1.266 599 W CA -1.010 56.406 57.345 0.117 0.000 1.212 599 W CB 0.319 29.798 29.460 0.032 0.000 1.306 599 W HN 0.411 nan 8.180 nan 0.000 0.552 600 T N 2.603 117.319 114.554 0.271 0.000 2.900 600 T HA 0.188 4.538 4.350 0.000 0.000 0.307 600 T C -0.704 174.079 174.700 0.138 0.000 1.065 600 T CA 0.828 62.992 62.100 0.106 0.000 1.105 600 T CB 0.659 69.678 68.868 0.252 0.000 0.979 600 T HN 0.328 nan 8.240 nan 0.000 0.544 601 D N 0.233 120.592 120.400 -0.068 0.000 2.601 601 D HA 0.427 5.068 4.640 0.000 0.000 0.230 601 D C 0.441 176.819 176.300 0.131 0.000 1.106 601 D CA -0.730 53.264 54.000 -0.010 0.000 0.873 601 D CB 1.345 41.830 40.800 -0.526 0.000 1.515 601 D HN 0.479 nan 8.370 nan 0.000 0.468 602 I N -0.661 120.063 120.570 0.256 0.000 3.080 602 I HA 0.301 4.471 4.170 0.000 0.000 0.213 602 I C 0.914 177.113 176.117 0.137 0.000 1.298 602 I CA -0.705 60.768 61.300 0.288 0.000 0.726 602 I CB 0.174 38.389 38.000 0.358 0.000 1.751 602 I HN 0.358 nan 8.210 nan 0.000 0.957 603 I N 1.452 122.086 120.570 0.108 0.000 2.573 603 I HA 0.236 4.406 4.170 0.000 0.000 0.295 603 I C -1.352 174.823 176.117 0.097 0.000 1.141 603 I CA 0.314 61.660 61.300 0.076 0.000 1.364 603 I CB -1.311 36.714 38.000 0.042 0.000 1.447 603 I HN 0.597 nan 8.210 nan 0.000 0.571 604 N N 3.814 122.567 118.700 0.088 0.000 3.560 604 N HA 0.076 4.816 4.740 0.000 0.000 0.183 604 N C -1.239 174.314 175.510 0.072 0.000 1.495 604 N CA -0.485 52.630 53.050 0.108 0.000 0.793 604 N CB 0.331 38.920 38.487 0.171 0.000 1.681 604 N HN 0.478 nan 8.380 nan 0.000 0.667 605 E N 1.302 121.534 120.200 0.055 0.000 2.126 605 E HA 0.363 4.713 4.350 0.000 0.000 0.261 605 E C -0.079 176.541 176.600 0.034 0.000 1.180 605 E CA 0.169 56.591 56.400 0.037 0.000 1.055 605 E CB -0.187 29.535 29.700 0.037 0.000 1.088 605 E HN 0.564 nan 8.360 nan 0.000 0.444 606 A N 2.248 125.067 122.820 -0.002 0.000 2.581 606 A HA 0.709 5.029 4.320 0.000 0.000 0.290 606 A C -1.350 176.106 177.584 -0.212 0.000 1.119 606 A CA -0.797 51.248 52.037 0.013 0.000 0.670 606 A CB 1.359 20.517 19.000 0.263 0.000 1.280 606 A HN 0.219 nan 8.150 nan 0.000 0.425 607 I N 0.336 120.853 120.570 -0.088 0.000 2.689 607 I HA 0.603 4.773 4.170 0.000 0.000 0.299 607 I C -0.852 175.434 176.117 0.283 0.000 1.059 607 I CA -0.163 60.979 61.300 -0.262 0.000 1.055 607 I CB 1.451 39.298 38.000 -0.255 0.000 1.243 607 I HN 0.735 nan 8.210 nan 0.000 0.425 608 F N 1.458 121.017 119.950 -0.652 0.000 2.764 608 F HA 0.656 5.183 4.527 0.000 0.000 0.347 608 F C 0.275 175.832 175.800 -0.406 0.000 1.151 608 F CA -1.062 56.593 58.000 -0.576 0.000 1.021 608 F CB 2.254 40.756 39.000 -0.829 0.000 1.438 608 F HN 0.428 nan 8.300 nan 0.000 0.516 609 S N -0.115 115.541 115.700 -0.072 0.000 2.567 609 S HA 0.851 5.321 4.470 0.000 0.000 0.270 609 S C -1.717 172.812 174.600 -0.117 0.000 1.152 609 S CA -0.084 57.934 58.200 -0.302 0.000 0.835 609 S CB 1.825 64.705 63.200 -0.534 0.000 1.115 609 S HN 1.183 nan 8.310 nan 0.000 0.459 610 A N 2.100 124.832 122.820 -0.146 0.000 2.536 610 A HA 0.707 5.027 4.320 0.000 0.000 0.293 610 A C -1.281 176.249 177.584 -0.091 0.000 1.119 610 A CA -0.764 51.238 52.037 -0.058 0.000 0.654 610 A CB 0.734 19.761 19.000 0.045 0.000 1.291 610 A HN 0.896 nan 8.150 nan 0.000 0.439 611 N N 0.536 119.202 118.700 -0.057 0.000 2.530 611 N HA 0.148 4.888 4.740 0.000 0.000 0.273 611 N C 0.377 175.859 175.510 -0.047 0.000 1.173 611 N CA -0.145 52.874 53.050 -0.051 0.000 0.967 611 N CB 0.754 39.218 38.487 -0.037 0.000 1.109 611 N HN 0.646 nan 8.380 nan 0.000 0.453 612 R N 3.619 124.093 120.500 -0.042 0.000 4.792 612 R HA 0.251 4.591 4.340 0.000 0.000 0.205 612 R C -1.123 175.152 176.300 -0.042 0.000 1.875 612 R CA -0.167 55.911 56.100 -0.038 0.000 1.588 612 R CB -0.634 29.655 30.300 -0.018 0.000 1.401 612 R HN 0.393 nan 8.270 nan 0.000 0.834 613 L N -0.306 120.887 121.223 -0.051 0.000 2.947 613 L HA 0.130 4.470 4.340 0.000 0.000 0.267 613 L C -0.127 176.706 176.870 -0.061 0.000 1.004 613 L CA -0.360 54.447 54.840 -0.056 0.000 0.937 613 L CB 2.128 44.161 42.059 -0.043 0.000 1.496 613 L HN 0.140 nan 8.230 nan 0.000 0.409 614 T N 1.103 115.617 114.554 -0.067 0.000 4.354 614 T HA 0.246 4.596 4.350 0.000 0.000 0.234 614 T C 0.794 175.461 174.700 -0.054 0.000 0.798 614 T CA 0.642 62.702 62.100 -0.067 0.000 0.885 614 T CB -0.840 67.984 68.868 -0.073 0.000 1.350 614 T HN 0.700 nan 8.240 nan 0.000 0.755 615 G N 1.481 110.252 108.800 -0.048 0.000 4.637 615 G HA2 0.371 4.331 3.960 0.000 0.000 0.308 615 G HA3 0.371 4.331 3.960 0.000 0.000 0.308 615 G C 0.437 175.313 174.900 -0.040 0.000 1.377 615 G CA -0.712 44.364 45.100 -0.041 0.000 1.176 615 G HN 0.551 nan 8.290 nan 0.000 0.601 616 S N 0.342 116.017 115.700 -0.042 0.000 2.589 616 S HA 0.528 4.999 4.470 0.000 0.000 0.265 616 S C -0.286 174.291 174.600 -0.038 0.000 1.342 616 S CA -0.035 58.144 58.200 -0.035 0.000 1.005 616 S CB 1.558 64.738 63.200 -0.034 0.000 0.909 616 S HN 0.678 nan 8.310 nan 0.000 0.555 617 D N -1.708 118.669 120.400 -0.038 0.000 2.205 617 D HA 0.263 4.903 4.640 0.000 0.000 0.168 617 D C -1.122 175.144 176.300 -0.056 0.000 1.167 617 D CA -0.691 53.279 54.000 -0.049 0.000 0.834 617 D CB -0.268 40.504 40.800 -0.047 0.000 2.599 617 D HN 0.445 nan 8.370 nan 0.000 0.497 618 V N 2.476 122.344 119.914 -0.076 0.000 2.743 618 V HA 0.690 4.810 4.120 0.000 0.000 0.301 618 V C 0.055 176.060 176.094 -0.149 0.000 1.057 618 V CA -0.544 61.687 62.300 -0.116 0.000 1.006 618 V CB 1.477 33.202 31.823 -0.163 0.000 1.024 618 V HN 0.696 nan 8.190 nan 0.000 0.473 619 N N 2.642 121.228 118.700 -0.189 0.000 2.537 619 N HA 0.434 5.174 4.740 0.000 0.000 0.281 619 N C -0.998 174.375 175.510 -0.227 0.000 1.097 619 N CA -0.524 52.425 53.050 -0.168 0.000 0.964 619 N CB 2.188 40.625 38.487 -0.084 0.000 1.588 619 N HN 0.485 nan 8.380 nan 0.000 0.511 620 L N 0.559 121.622 121.223 -0.267 0.000 2.543 620 L HA 0.569 4.909 4.340 0.000 0.000 0.231 620 L C 0.540 177.362 176.870 -0.080 0.000 1.194 620 L CA -0.674 54.003 54.840 -0.272 0.000 0.823 620 L CB 0.277 42.166 42.059 -0.283 0.000 1.374 620 L HN 0.428 nan 8.230 nan 0.000 0.507 621 L N 0.306 121.521 121.223 -0.013 0.000 3.474 621 L HA 0.440 4.780 4.340 0.000 0.000 0.376 621 L C -0.917 175.956 176.870 0.005 0.000 1.298 621 L CA 0.451 55.288 54.840 -0.005 0.000 1.019 621 L CB 0.217 42.301 42.059 0.042 0.000 1.289 621 L HN 0.694 nan 8.230 nan 0.000 0.578 622 A N 0.441 123.269 122.820 0.014 0.000 1.897 622 A HA 0.510 4.830 4.320 0.000 0.000 0.285 622 A C -0.816 176.799 177.584 0.052 0.000 1.261 622 A CA -0.390 51.676 52.037 0.048 0.000 0.936 622 A CB 0.083 19.067 19.000 -0.026 0.000 1.240 622 A HN 0.165 nan 8.150 nan 0.000 0.434 623 E N 1.923 122.148 120.200 0.041 0.000 2.266 623 E HA 0.564 4.914 4.350 0.000 0.000 0.277 623 E C 0.322 176.958 176.600 0.059 0.000 1.018 623 E CA 0.062 56.489 56.400 0.044 0.000 0.840 623 E CB 0.404 30.116 29.700 0.021 0.000 1.082 623 E HN 0.500 nan 8.360 nan 0.000 0.395 624 N N 3.138 121.871 118.700 0.055 0.000 2.727 624 N HA -0.195 4.545 4.740 0.000 0.000 0.251 624 N C -1.040 174.508 175.510 0.063 0.000 1.040 624 N CA 0.639 53.721 53.050 0.052 0.000 0.712 624 N CB -1.521 36.993 38.487 0.044 0.000 0.912 624 N HN 0.435 nan 8.380 nan 0.000 0.545 625 L N -0.857 120.401 121.223 0.059 0.000 2.325 625 L HA 0.513 4.853 4.340 0.000 0.000 0.284 625 L C 1.322 178.229 176.870 0.061 0.000 1.089 625 L CA -0.475 54.413 54.840 0.079 0.000 0.836 625 L CB 0.227 42.308 42.059 0.037 0.000 1.184 625 L HN 0.129 nan 8.230 nan 0.000 0.444 626 L N 2.201 123.462 121.223 0.064 0.000 2.325 626 L HA 0.442 4.782 4.340 0.000 0.000 0.284 626 L C 1.104 177.997 176.870 0.039 0.000 1.089 626 L CA 0.024 54.888 54.840 0.040 0.000 0.836 626 L CB 0.059 42.138 42.059 0.033 0.000 1.184 626 L HN 0.884 nan 8.230 nan 0.000 0.444 627 S N 1.612 117.321 115.700 0.014 0.000 3.929 627 S HA -0.058 4.412 4.470 0.000 0.000 0.351 627 S C -2.145 172.467 174.600 0.019 0.000 1.021 627 S CA 0.407 58.601 58.200 -0.010 0.000 1.049 627 S CB -1.218 61.979 63.200 -0.004 0.000 0.872 627 S HN 0.932 nan 8.310 nan 0.000 0.479 628 P HA 0.241 nan 4.420 nan 0.000 0.230 628 P C 0.280 177.673 177.300 0.154 0.000 1.791 628 P CA 0.295 63.475 63.100 0.133 0.000 1.020 628 P CB 0.052 31.791 31.700 0.066 0.000 1.977 629 E N 1.319 121.604 120.200 0.142 0.000 2.499 629 E HA 0.075 4.426 4.350 0.000 0.000 0.207 629 E C -0.512 176.273 176.600 0.309 0.000 1.034 629 E CA -0.074 56.462 56.400 0.228 0.000 1.098 629 E CB 0.034 29.801 29.700 0.112 0.000 1.148 629 E HN 0.034 nan 8.360 nan 0.000 0.447 630 D N 0.846 121.438 120.400 0.319 0.000 2.229 630 D HA 0.079 4.719 4.640 0.000 0.000 0.209 630 D C -0.711 175.791 176.300 0.337 0.000 1.295 630 D CA -0.170 54.025 54.000 0.324 0.000 0.913 630 D CB 0.419 41.397 40.800 0.297 0.000 1.581 630 D HN 0.173 nan 8.370 nan 0.000 0.502 631 M N 1.138 120.950 119.600 0.353 0.000 2.291 631 M HA 0.607 5.087 4.480 0.000 0.000 0.324 631 M C 0.321 176.833 176.300 0.353 0.000 1.148 631 M CA -0.900 54.620 55.300 0.368 0.000 1.104 631 M CB 1.790 34.584 32.600 0.324 0.000 1.483 631 M HN 0.132 nan 8.290 nan 0.000 0.467 632 V N 0.516 120.663 119.914 0.389 0.000 2.841 632 V HA 0.600 4.720 4.120 0.000 0.000 0.310 632 V C -0.854 175.480 176.094 0.401 0.000 1.090 632 V CA -1.118 61.414 62.300 0.387 0.000 0.930 632 V CB 1.587 33.644 31.823 0.390 0.000 1.014 632 V HN 0.775 nan 8.190 nan 0.000 0.425 633 L N 2.547 123.980 121.223 0.350 0.000 2.479 633 L HA 0.807 5.147 4.340 0.000 0.000 0.249 633 L C -0.551 176.550 176.870 0.386 0.000 1.178 633 L CA 0.112 55.136 54.840 0.307 0.000 0.811 633 L CB 1.378 43.632 42.059 0.326 0.000 1.187 633 L HN 0.794 nan 8.230 nan 0.000 0.480 634 F N 0.263 120.255 119.950 0.070 0.000 2.754 634 F HA 0.355 4.882 4.527 0.000 0.000 0.320 634 F C -0.567 175.311 175.800 0.131 0.000 1.156 634 F CA -0.552 57.523 58.000 0.124 0.000 0.950 634 F CB 0.764 39.870 39.000 0.177 0.000 1.388 634 F HN 0.653 nan 8.300 nan 0.000 0.485 635 H N 3.212 121.846 119.070 -0.727 0.000 2.983 635 H HA -0.174 4.382 4.556 0.000 0.000 0.327 635 H C 0.233 175.437 175.328 -0.206 0.000 1.031 635 H CA 0.931 56.728 56.048 -0.419 0.000 1.053 635 H CB -0.317 29.597 29.762 0.253 0.000 1.609 635 H HN 0.774 nan 8.280 nan 0.000 0.369 636 Q N 1.229 120.656 119.800 -0.622 0.000 2.461 636 Q HA -0.202 4.138 4.340 0.000 0.000 0.273 636 Q C -0.187 175.686 176.000 -0.211 0.000 1.163 636 Q CA 1.491 57.027 55.803 -0.444 0.000 0.929 636 Q CB -1.188 27.257 28.738 -0.489 0.000 1.334 636 Q HN 0.574 nan 8.270 nan 0.000 0.499 637 L N -1.661 119.495 121.223 -0.111 0.000 3.524 637 L HA 0.294 4.634 4.340 0.000 0.000 0.337 637 L C -0.043 176.857 176.870 0.051 0.000 1.330 637 L CA 0.478 55.333 54.840 0.026 0.000 0.966 637 L CB 0.881 43.078 42.059 0.229 0.000 1.395 637 L HN 0.109 nan 8.230 nan 0.000 0.616 638 T N -0.079 114.437 114.554 -0.063 0.000 3.331 638 T HA 0.271 4.621 4.350 0.000 0.000 0.282 638 T C 0.218 174.762 174.700 -0.261 0.000 1.010 638 T CA 0.136 62.229 62.100 -0.011 0.000 0.928 638 T CB 0.020 68.924 68.868 0.060 0.000 1.154 638 T HN 0.265 nan 8.240 nan 0.000 0.516 639 Q N 1.260 120.856 119.800 -0.341 0.000 2.770 639 Q HA 0.121 4.461 4.340 0.000 0.000 0.195 639 Q C -3.219 172.493 176.000 -0.480 0.000 0.581 639 Q CA -0.535 54.809 55.803 -0.766 0.000 1.052 639 Q CB 0.754 28.613 28.738 -1.465 0.000 1.468 639 Q HN 0.262 nan 8.270 nan 0.000 0.337 640 P HA 0.709 nan 4.420 nan 0.000 0.290 640 P C -0.922 176.412 177.300 0.056 0.000 1.283 640 P CA -0.471 62.605 63.100 -0.041 0.000 0.869 640 P CB 1.523 33.207 31.700 -0.027 0.000 1.100 641 R N 0.146 120.665 120.500 0.031 0.000 3.357 641 R HA 0.496 4.836 4.340 0.000 0.000 0.278 641 R C -0.990 175.306 176.300 -0.006 0.000 0.931 641 R CA -0.008 56.108 56.100 0.027 0.000 0.810 641 R CB -0.559 29.774 30.300 0.056 0.000 1.402 641 R HN 0.576 nan 8.270 nan 0.000 0.524 642 G N 0.144 108.922 108.800 -0.037 0.000 4.683 642 G HA2 0.507 4.467 3.960 0.000 0.000 0.273 642 G HA3 0.507 4.467 3.960 0.000 0.000 0.273 642 G C -1.392 173.430 174.900 -0.130 0.000 1.065 642 G CA 0.167 45.227 45.100 -0.066 0.000 0.837 642 G HN 0.285 nan 8.290 nan 0.000 0.526 643 V N 0.404 120.216 119.914 -0.171 0.000 3.087 643 V HA 0.690 4.810 4.120 0.000 0.000 0.306 643 V C -1.433 174.464 176.094 -0.327 0.000 1.187 643 V CA -1.046 61.062 62.300 -0.319 0.000 0.999 643 V CB 2.620 34.184 31.823 -0.432 0.000 1.049 643 V HN 0.300 nan 8.190 nan 0.000 0.431 644 N N 1.302 119.748 118.700 -0.425 0.000 2.452 644 N HA 0.301 5.041 4.740 0.000 0.000 0.277 644 N C -2.055 173.272 175.510 -0.306 0.000 1.078 644 N CA -0.608 52.321 53.050 -0.202 0.000 0.947 644 N CB 1.639 40.115 38.487 -0.018 0.000 1.655 644 N HN 0.655 nan 8.380 nan 0.000 0.490 645 W N 3.716 124.999 121.300 -0.030 0.000 2.060 645 W HA 0.461 5.121 4.660 0.000 0.000 0.347 645 W C -0.051 176.035 176.519 -0.722 0.000 0.831 645 W CA -0.616 56.501 57.345 -0.381 0.000 1.590 645 W CB 0.440 29.591 29.460 -0.514 0.000 1.737 645 W HN 0.479 nan 8.180 nan 0.000 0.329 646 c N 1.238 119.772 118.600 -0.109 0.000 3.647 646 c HA 0.057 4.627 4.570 0.000 0.000 0.349 646 c C 0.423 174.574 174.090 0.101 0.000 2.699 646 c CA -0.862 55.533 56.329 0.110 0.000 1.459 646 c CB -1.199 41.406 42.510 0.158 0.000 2.643 646 c HN 0.554 nan 8.230 nan 0.000 0.467 647 E N 1.174 121.413 120.200 0.065 0.000 2.349 647 E HA 0.299 4.650 4.350 0.000 0.000 0.265 647 E C 0.104 176.749 176.600 0.075 0.000 1.064 647 E CA -0.510 55.914 56.400 0.040 0.000 0.886 647 E CB 0.690 30.374 29.700 -0.027 0.000 1.036 647 E HN 0.379 nan 8.360 nan 0.000 0.413 648 R N 2.685 123.211 120.500 0.043 0.000 3.152 648 R HA 0.067 4.407 4.340 0.000 0.000 0.209 648 R C -0.419 175.913 176.300 0.053 0.000 1.649 648 R CA 0.369 56.497 56.100 0.046 0.000 1.185 648 R CB -0.720 29.596 30.300 0.027 0.000 1.258 648 R HN 0.455 nan 8.270 nan 0.000 0.656 649 T N -3.320 111.277 114.554 0.072 0.000 2.716 649 T HA 0.191 4.541 4.350 0.000 0.000 0.286 649 T C 0.046 174.791 174.700 0.075 0.000 1.052 649 T CA -1.024 61.119 62.100 0.072 0.000 1.024 649 T CB 1.221 70.144 68.868 0.091 0.000 1.349 649 T HN 0.143 nan 8.240 nan 0.000 0.525 650 T N 2.744 117.339 114.554 0.068 0.000 2.640 650 T HA 0.420 4.770 4.350 0.000 0.000 0.252 650 T C 0.025 174.771 174.700 0.077 0.000 1.038 650 T CA 0.321 62.458 62.100 0.062 0.000 1.307 650 T CB -2.024 66.874 68.868 0.050 0.000 1.014 650 T HN 0.955 nan 8.240 nan 0.000 0.523 651 L N -0.786 120.481 121.223 0.072 0.000 3.146 651 L HA 0.598 4.939 4.340 0.000 0.000 0.256 651 L C -0.118 176.794 176.870 0.071 0.000 0.948 651 L CA -0.842 54.046 54.840 0.080 0.000 1.069 651 L CB 0.671 42.807 42.059 0.129 0.000 1.568 651 L HN 0.144 nan 8.230 nan 0.000 0.396 652 S N 0.560 116.302 115.700 0.070 0.000 2.565 652 S HA 0.477 4.947 4.470 0.000 0.000 0.207 652 S C -0.909 173.727 174.600 0.060 0.000 0.769 652 S CA 0.271 58.506 58.200 0.059 0.000 0.945 652 S CB -0.899 62.325 63.200 0.040 0.000 1.653 652 S HN 1.500 nan 8.310 nan 0.000 0.509 653 N N -0.938 117.814 118.700 0.087 0.000 3.439 653 N HA 0.214 4.954 4.740 0.000 0.000 0.285 653 N C 0.702 176.310 175.510 0.163 0.000 1.386 653 N CA -0.129 52.974 53.050 0.088 0.000 0.824 653 N CB -0.125 38.386 38.487 0.040 0.000 1.632 653 N HN 0.042 nan 8.380 nan 0.000 0.421 654 G N -1.810 107.093 108.800 0.171 0.000 2.920 654 G HA2 0.397 4.357 3.960 0.000 0.000 0.208 654 G HA3 0.397 4.357 3.960 0.000 0.000 0.208 654 G C 1.017 175.916 174.900 -0.002 0.000 1.159 654 G CA 0.731 46.001 45.100 0.283 0.000 0.784 654 G HN 1.700 nan 8.290 nan 0.000 0.535 655 G N -1.621 107.183 108.800 0.007 0.000 2.176 655 G HA2 -0.293 3.667 3.960 0.000 0.000 0.253 655 G HA3 -0.293 3.667 3.960 0.000 0.000 0.253 655 G C 0.332 175.182 174.900 -0.084 0.000 0.979 655 G CA 0.171 45.262 45.100 -0.016 0.000 0.641 655 G HN 0.575 nan 8.290 nan 0.000 0.530 656 c N 0.928 119.446 118.600 -0.137 0.000 2.350 656 c HA 0.749 5.319 4.570 0.000 0.000 0.348 656 c C 0.529 174.590 174.090 -0.049 0.000 1.260 656 c CA -0.772 55.474 56.329 -0.137 0.000 1.966 656 c CB 1.427 43.808 42.510 -0.215 0.000 2.380 656 c HN 0.524 nan 8.230 nan 0.000 0.535 657 Q N 0.271 120.067 119.800 -0.007 0.000 2.230 657 Q HA 0.335 4.675 4.340 0.000 0.000 0.253 657 Q C -0.354 175.721 176.000 0.125 0.000 0.919 657 Q CA -0.387 55.436 55.803 0.034 0.000 0.908 657 Q CB 0.264 29.027 28.738 0.041 0.000 1.245 657 Q HN 0.688 nan 8.270 nan 0.000 0.437 658 Y N 0.882 121.153 120.300 -0.049 0.000 3.305 658 Y HA -0.284 4.266 4.550 0.000 0.000 0.209 658 Y C -0.433 175.426 175.900 -0.068 0.000 1.354 658 Y CA 0.282 58.352 58.100 -0.049 0.000 1.392 658 Y CB -0.968 37.461 38.460 -0.051 0.000 1.446 658 Y HN 0.599 nan 8.280 nan 0.000 0.553 659 L N 0.124 121.342 121.223 -0.010 0.000 2.464 659 L HA 0.436 4.776 4.340 0.000 0.000 0.264 659 L C 1.456 178.300 176.870 -0.043 0.000 1.199 659 L CA -0.261 54.552 54.840 -0.044 0.000 0.818 659 L CB 1.081 43.114 42.059 -0.043 0.000 1.102 659 L HN 0.885 nan 8.230 nan 0.000 0.473 660 c N 2.786 121.313 118.600 -0.121 0.000 3.200 660 c HA -0.185 4.385 4.570 0.000 0.000 0.263 660 c C 0.225 174.383 174.090 0.114 0.000 1.345 660 c CA -0.334 55.980 56.329 -0.023 0.000 2.274 660 c CB -2.980 39.771 42.510 0.402 0.000 1.459 660 c HN 0.775 nan 8.230 nan 0.000 0.501 661 L N 2.224 123.473 121.223 0.044 0.000 2.417 661 L HA 0.441 4.782 4.340 0.000 0.000 0.268 661 L C -0.990 175.960 176.870 0.133 0.000 1.158 661 L CA -1.682 53.196 54.840 0.063 0.000 0.819 661 L CB 0.537 42.622 42.059 0.043 0.000 1.112 661 L HN 0.220 nan 8.230 nan 0.000 0.458 662 P HA 0.013 nan 4.420 nan 0.000 0.282 662 P C -1.475 175.856 177.300 0.051 0.000 1.273 662 P CA -0.121 63.032 63.100 0.089 0.000 0.809 662 P CB 0.429 32.180 31.700 0.085 0.000 1.246 663 A N -0.833 121.965 122.820 -0.036 0.000 2.466 663 A HA 0.553 4.873 4.320 0.000 0.000 0.284 663 A C -2.777 174.683 177.584 -0.207 0.000 1.049 663 A CA -1.428 50.562 52.037 -0.078 0.000 0.760 663 A CB 0.402 19.377 19.000 -0.041 0.000 1.274 663 A HN 0.226 nan 8.150 nan 0.000 0.412 664 P HA 0.085 nan 4.420 nan 0.000 0.271 664 P C -0.459 176.687 177.300 -0.257 0.000 1.212 664 P CA 0.519 63.286 63.100 -0.556 0.000 0.788 664 P CB 0.446 32.023 31.700 -0.205 0.000 0.865 665 Q N 1.888 121.617 119.800 -0.119 0.000 2.413 665 Q HA 0.679 5.019 4.340 0.000 0.000 0.258 665 Q C -1.337 174.766 176.000 0.172 0.000 1.037 665 Q CA -0.131 55.709 55.803 0.061 0.000 0.764 665 Q CB -0.031 28.773 28.738 0.111 0.000 1.217 665 Q HN 0.324 nan 8.270 nan 0.000 0.490 666 I N 2.518 123.157 120.570 0.115 0.000 2.841 666 I HA 0.349 4.519 4.170 0.000 0.000 0.298 666 I C -0.935 175.247 176.117 0.109 0.000 1.304 666 I CA -0.482 60.896 61.300 0.131 0.000 1.019 666 I CB 1.672 39.770 38.000 0.164 0.000 1.282 666 I HN 0.757 nan 8.210 nan 0.000 0.432 667 N N 4.222 122.985 118.700 0.106 0.000 2.725 667 N HA -0.149 4.591 4.740 0.000 0.000 0.251 667 N C -2.293 173.289 175.510 0.120 0.000 1.031 667 N CA 0.197 53.326 53.050 0.131 0.000 0.720 667 N CB -1.604 36.976 38.487 0.156 0.000 0.930 667 N HN 0.479 nan 8.380 nan 0.000 0.543 668 P HA -0.178 nan 4.420 nan 0.000 0.021 668 P C -0.448 176.637 177.300 -0.359 0.000 0.526 668 P CA 1.452 64.467 63.100 -0.140 0.000 1.028 668 P CB -0.868 30.745 31.700 -0.144 0.000 1.873 669 H N -1.066 117.994 119.070 -0.017 0.000 3.345 669 H HA 0.248 4.804 4.556 0.000 0.000 0.215 669 H C -0.168 175.144 175.328 -0.027 0.000 1.368 669 H CA -0.055 55.979 56.048 -0.022 0.000 1.211 669 H CB 0.486 30.242 29.762 -0.010 0.000 2.467 669 H HN 0.120 nan 8.280 nan 0.000 0.530 670 S N -1.028 114.691 115.700 0.031 0.000 2.584 670 S HA 0.228 4.698 4.470 0.000 0.000 0.189 670 S C -2.936 171.631 174.600 -0.055 0.000 0.869 670 S CA -1.018 57.187 58.200 0.008 0.000 1.097 670 S CB 0.031 63.249 63.200 0.031 0.000 1.677 670 S HN -0.034 nan 8.310 nan 0.000 0.460 671 P HA 0.080 nan 4.420 nan 0.000 0.266 671 P C 0.313 177.522 177.300 -0.152 0.000 1.162 671 P CA 0.784 63.766 63.100 -0.197 0.000 0.758 671 P CB 0.269 31.840 31.700 -0.215 0.000 0.774 672 K N 3.962 124.195 120.400 -0.278 0.000 2.408 672 K HA 0.194 4.514 4.320 0.000 0.000 0.231 672 K C -0.291 176.288 176.600 -0.035 0.000 1.261 672 K CA 0.460 56.633 56.287 -0.189 0.000 1.193 672 K CB -1.231 31.114 32.500 -0.259 0.000 1.431 672 K HN 0.581 nan 8.250 nan 0.000 0.243 673 F N 0.510 120.384 119.950 -0.126 0.000 2.683 673 F HA 0.235 4.762 4.527 0.000 0.000 0.333 673 F C -0.729 175.031 175.800 -0.066 0.000 1.160 673 F CA -0.797 57.153 58.000 -0.084 0.000 1.099 673 F CB 2.506 41.461 39.000 -0.076 0.000 1.344 673 F HN 0.227 nan 8.300 nan 0.000 0.534 674 T N 1.195 115.767 114.554 0.031 0.000 3.313 674 T HA 0.280 4.631 4.350 0.000 0.000 0.333 674 T C -0.544 174.060 174.700 -0.160 0.000 0.904 674 T CA -0.588 61.462 62.100 -0.084 0.000 1.079 674 T CB -0.089 68.768 68.868 -0.019 0.000 1.017 674 T HN 0.524 nan 8.240 nan 0.000 0.471 675 c N 2.879 121.321 118.600 -0.264 0.000 2.550 675 c HA 0.593 5.163 4.570 0.000 0.000 0.406 675 c C 1.357 175.385 174.090 -0.103 0.000 1.366 675 c CA 0.311 56.511 56.329 -0.216 0.000 1.712 675 c CB -1.451 40.941 42.510 -0.196 0.000 2.613 675 c HN 1.140 nan 8.230 nan 0.000 0.608 676 A N 2.698 125.494 122.820 -0.040 0.000 2.532 676 A HA 0.897 5.217 4.320 0.000 0.000 0.290 676 A C -0.846 176.743 177.584 0.008 0.000 1.143 676 A CA -0.402 51.624 52.037 -0.018 0.000 0.728 676 A CB 1.104 20.108 19.000 0.006 0.000 1.317 676 A HN 0.913 nan 8.150 nan 0.000 0.414 677 c N 0.370 118.892 118.600 -0.131 0.000 3.236 677 c HA 0.811 5.381 4.570 0.000 0.000 0.312 677 c C -2.174 171.707 174.090 -0.349 0.000 1.374 677 c CA -0.744 55.278 56.329 -0.512 0.000 1.455 677 c CB 1.692 43.836 42.510 -0.610 0.000 1.834 677 c HN 0.861 nan 8.230 nan 0.000 0.460 678 P HA 0.124 nan 4.420 nan 0.000 0.296 678 P C -0.967 176.256 177.300 -0.128 0.000 1.295 678 P CA 0.221 63.245 63.100 -0.126 0.000 0.754 678 P CB 0.346 32.039 31.700 -0.012 0.000 1.311 679 D N -1.122 119.239 120.400 -0.064 0.000 2.390 679 D HA 0.342 4.982 4.640 0.000 0.000 0.249 679 D C 1.309 177.562 176.300 -0.078 0.000 1.144 679 D CA 1.286 55.248 54.000 -0.064 0.000 0.880 679 D CB 0.628 41.405 40.800 -0.040 0.000 1.182 679 D HN 0.715 nan 8.370 nan 0.000 0.451 680 G N 2.085 110.835 108.800 -0.083 0.000 2.992 680 G HA2 -0.223 3.737 3.960 0.000 0.000 0.229 680 G HA3 -0.223 3.737 3.960 0.000 0.000 0.229 680 G C 0.257 175.098 174.900 -0.098 0.000 1.969 680 G CA -0.236 44.815 45.100 -0.081 0.000 1.603 680 G HN 0.479 nan 8.290 nan 0.000 0.573 681 M N 1.544 121.062 119.600 -0.136 0.000 2.232 681 M HA 0.592 5.072 4.480 0.000 0.000 0.321 681 M C 0.069 176.282 176.300 -0.144 0.000 1.101 681 M CA 0.605 55.817 55.300 -0.148 0.000 1.181 681 M CB 0.519 32.999 32.600 -0.199 0.000 1.432 681 M HN 0.321 nan 8.290 nan 0.000 0.457 682 L N 1.676 122.828 121.223 -0.119 0.000 2.381 682 L HA 0.389 4.729 4.340 0.000 0.000 0.268 682 L C -0.573 176.240 176.870 -0.095 0.000 0.997 682 L CA -1.191 53.590 54.840 -0.099 0.000 0.818 682 L CB 1.572 43.588 42.059 -0.073 0.000 1.310 682 L HN 0.472 nan 8.230 nan 0.000 0.416 683 L N 3.493 124.663 121.223 -0.089 0.000 3.036 683 L HA 0.016 4.356 4.340 0.000 0.000 0.304 683 L C 0.996 177.828 176.870 -0.063 0.000 1.203 683 L CA 0.514 55.306 54.840 -0.079 0.000 1.194 683 L CB -0.976 41.041 42.059 -0.070 0.000 1.517 683 L HN 0.752 nan 8.230 nan 0.000 0.423 684 A N 3.514 126.297 122.820 -0.063 0.000 2.664 684 A HA 0.146 4.466 4.320 0.000 0.000 0.228 684 A C 1.339 178.899 177.584 -0.041 0.000 1.091 684 A CA 0.695 52.703 52.037 -0.049 0.000 0.793 684 A CB -0.205 18.769 19.000 -0.044 0.000 1.003 684 A HN 0.975 nan 8.150 nan 0.000 0.510 685 R N 1.677 122.156 120.500 -0.034 0.000 4.828 685 R HA 0.319 4.659 4.340 0.000 0.000 0.167 685 R C 0.060 176.343 176.300 -0.028 0.000 2.071 685 R CA 0.908 56.991 56.100 -0.029 0.000 1.630 685 R CB -1.316 28.969 30.300 -0.025 0.000 1.359 685 R HN 1.122 nan 8.270 nan 0.000 0.834 686 D N -1.065 119.316 120.400 -0.032 0.000 2.521 686 D HA -0.038 4.602 4.640 0.000 0.000 0.195 686 D C -0.019 176.256 176.300 -0.042 0.000 1.286 686 D CA -0.779 53.202 54.000 -0.032 0.000 0.854 686 D CB -0.083 40.700 40.800 -0.028 0.000 1.723 686 D HN 0.217 nan 8.370 nan 0.000 0.550 687 M N 1.245 120.819 119.600 -0.044 0.000 3.553 687 M HA 0.148 4.628 4.480 0.000 0.000 0.174 687 M C 0.372 176.625 176.300 -0.079 0.000 1.500 687 M CA 0.643 55.908 55.300 -0.059 0.000 1.615 687 M CB -0.723 31.844 32.600 -0.054 0.000 1.423 687 M HN 0.287 nan 8.290 nan 0.000 0.445 688 R N -0.872 119.587 120.500 -0.069 0.000 2.472 688 R HA 0.327 4.667 4.340 0.000 0.000 0.368 688 R C -0.779 175.492 176.300 -0.049 0.000 0.825 688 R CA -0.221 55.835 56.100 -0.074 0.000 1.025 688 R CB 0.779 31.039 30.300 -0.067 0.000 1.541 688 R HN 0.303 nan 8.270 nan 0.000 0.589 689 S N -0.351 115.320 115.700 -0.050 0.000 2.714 689 S HA 0.366 4.836 4.470 0.000 0.000 0.284 689 S C -1.485 173.075 174.600 -0.068 0.000 1.019 689 S CA -0.635 57.542 58.200 -0.038 0.000 0.856 689 S CB 0.916 64.103 63.200 -0.021 0.000 1.075 689 S HN 0.270 nan 8.310 nan 0.000 0.455 690 c N 2.930 121.472 118.600 -0.097 0.000 2.913 690 c HA 0.904 5.474 4.570 0.000 0.000 0.322 690 c C -0.466 173.561 174.090 -0.104 0.000 1.292 690 c CA -0.682 55.575 56.329 -0.120 0.000 1.649 690 c CB 0.972 43.372 42.510 -0.184 0.000 2.139 690 c HN 0.863 nan 8.230 nan 0.000 0.475 691 L N 0.327 121.495 121.223 -0.092 0.000 2.301 691 L HA 0.802 5.142 4.340 0.000 0.000 0.249 691 L C -0.075 176.753 176.870 -0.071 0.000 1.069 691 L CA -0.192 54.605 54.840 -0.072 0.000 0.865 691 L CB 2.303 44.331 42.059 -0.051 0.000 1.467 691 L HN 0.837 nan 8.230 nan 0.000 0.419 692 T N -1.125 113.396 114.554 -0.056 0.000 2.924 692 T HA 0.773 5.123 4.350 0.000 0.000 0.291 692 T C -1.009 173.667 174.700 -0.041 0.000 1.045 692 T CA -0.305 61.764 62.100 -0.051 0.000 1.015 692 T CB 2.169 71.008 68.868 -0.048 0.000 1.103 692 T HN 0.843 nan 8.240 nan 0.000 0.496 693 E N 0.000 120.176 120.200 -0.040 0.000 2.725 693 E HA 0.000 4.350 4.350 0.000 0.000 0.291 693 E CA 0.000 56.380 56.400 -0.033 0.000 0.976 693 E CB 0.000 29.681 29.700 -0.031 0.000 0.812 693 E HN 0.000 nan 8.360 nan 0.000 0.440