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 2e4y_1_A DATA FIRST_RESID 30 DATA SEQUENCE RREIKIEGDL VLGGLFPINE KGTGTEEcGR INEDRGIQRL EAMLFAIDEI DATA SEQUENCE NKDNYLLPGV KLGVHILDTc SRDTYALEQS LEFVRASLXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXIP LLIAGVIGGS YSSVSIQVAN LLRLFQIPQI SYASTSAKLS DATA SEQUENCE DKSRYDYFAR TVPPDFYQAK AMAEILRFFN WTYVSTVASE GDYGETGIEA DATA SEQUENCE FEQEARLRNI cIATAEKVGR SNIRKSYDSV IRELLQKPNA RVVVLFMRSD DATA SEQUENCE DSRELIAAAN RVNASFTWVA SDGWGAQESI VKGSEHVAYG AITLELASHP DATA SEQUENCE VRQFDRYFQS LNPYNNHRNP WFRDFWEQKF QcSLQNKRNH RQVcDKHLAI DATA SEQUENCE DSSNYEQESK IMFVVNAVYA MAHALHKMQR TLcPQTTKLc DAMKILDGKK DATA SEQUENCE LYKEYLLKIQ FTAPFNPNKG ADSIVKFDTF GDGMGRYNVF NLQQTGGKYS DATA SEQUENCE YLKVGHWAET LSLDVDSIHW SRNSVPTSQc SDPcAPNEMK NMQPGDVccW DATA SEQUENCE IcIPcEPYEY LVDEFTcMDc GPGQWPTADL SGcYNLPE 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 30 R HA 0.000 nan 4.340 nan 0.000 0.208 30 R C 0.000 176.336 176.300 0.059 0.000 0.893 30 R CA 0.000 56.164 56.100 0.106 0.000 0.921 30 R CB 0.000 30.347 30.300 0.079 0.000 0.687 31 R N 2.729 123.276 120.500 0.079 0.000 2.445 31 R HA 0.502 4.842 4.340 -0.000 0.000 0.308 31 R C -0.304 176.006 176.300 0.016 0.000 0.961 31 R CA -0.832 55.208 56.100 -0.102 0.000 0.862 31 R CB 1.999 32.036 30.300 -0.438 0.000 1.144 31 R HN 0.738 nan 8.270 nan 0.000 0.447 32 E N 2.977 123.153 120.200 -0.041 0.000 2.447 32 E HA 0.581 4.930 4.350 -0.000 0.000 0.258 32 E C -0.780 175.860 176.600 0.066 0.000 0.916 32 E CA -0.930 55.574 56.400 0.173 0.000 0.846 32 E CB 1.643 31.488 29.700 0.241 0.000 1.517 32 E HN 0.284 nan 8.360 nan 0.000 0.418 33 I N 0.334 121.047 120.570 0.239 0.000 2.512 33 I HA 0.345 4.515 4.170 -0.000 0.000 0.287 33 I C -1.049 175.140 176.117 0.120 0.000 1.069 33 I CA -0.784 60.607 61.300 0.152 0.000 1.056 33 I CB 1.969 40.116 38.000 0.245 0.000 1.229 33 I HN 0.365 nan 8.210 nan 0.000 0.429 34 K N 7.111 127.513 120.400 0.003 0.000 2.535 34 K HA 0.594 4.914 4.320 -0.000 0.000 0.253 34 K C -1.250 175.335 176.600 -0.024 0.000 0.953 34 K CA -0.640 55.605 56.287 -0.070 0.000 0.863 34 K CB 2.281 34.676 32.500 -0.175 0.000 1.111 34 K HN 0.378 nan 8.250 nan 0.000 0.431 35 I N 2.747 123.320 120.570 0.006 0.000 2.382 35 I HA 0.218 4.388 4.170 -0.000 0.000 0.286 35 I C 0.412 176.531 176.117 0.003 0.000 1.002 35 I CA -0.559 60.748 61.300 0.010 0.000 1.135 35 I CB 1.467 39.486 38.000 0.031 0.000 1.288 35 I HN 0.696 nan 8.210 nan 0.000 0.448 36 E N 4.003 124.197 120.200 -0.010 0.000 2.392 36 E HA 0.562 4.911 4.350 -0.000 0.000 0.259 36 E C -0.174 176.425 176.600 -0.002 0.000 1.108 36 E CA -0.211 56.183 56.400 -0.009 0.000 0.916 36 E CB 1.388 31.079 29.700 -0.016 0.000 0.989 36 E HN 0.861 nan 8.360 nan 0.000 0.432 37 G N 2.063 110.863 108.800 0.001 0.000 2.559 37 G HA2 0.090 4.049 3.960 -0.000 0.000 0.291 37 G HA3 0.090 4.049 3.960 -0.000 0.000 0.291 37 G C -0.745 174.154 174.900 -0.001 0.000 1.424 37 G CA -0.466 44.633 45.100 -0.002 0.000 0.786 37 G HN 0.546 nan 8.290 nan 0.000 0.485 38 D N -1.248 119.149 120.400 -0.005 0.000 2.264 38 D HA 0.158 4.797 4.640 -0.000 0.000 0.208 38 D C 0.385 176.686 176.300 0.002 0.000 0.966 38 D CA 1.150 55.148 54.000 -0.003 0.000 0.864 38 D CB 0.202 40.997 40.800 -0.007 0.000 0.933 38 D HN 0.090 nan 8.370 nan 0.000 0.499 39 L N -0.228 120.995 121.223 0.001 0.000 2.513 39 L HA 0.382 4.722 4.340 -0.000 0.000 0.261 39 L C -1.296 175.580 176.870 0.010 0.000 0.945 39 L CA -0.859 53.984 54.840 0.004 0.000 0.848 39 L CB 2.399 44.454 42.059 -0.006 0.000 1.334 39 L HN -0.320 nan 8.230 nan 0.000 0.407 40 V N 4.030 123.960 119.914 0.026 0.000 2.769 40 V HA 0.601 4.720 4.120 -0.000 0.000 0.312 40 V C -0.506 175.614 176.094 0.044 0.000 1.061 40 V CA -0.756 61.573 62.300 0.048 0.000 0.931 40 V CB 2.148 34.022 31.823 0.086 0.000 1.010 40 V HN 0.505 nan 8.190 nan 0.000 0.433 41 L N 2.706 123.961 121.223 0.054 0.000 2.341 41 L HA 0.721 5.061 4.340 -0.000 0.000 0.278 41 L C 0.829 177.739 176.870 0.065 0.000 1.005 41 L CA -0.394 54.461 54.840 0.024 0.000 0.818 41 L CB 1.769 43.837 42.059 0.015 0.000 1.259 41 L HN 0.817 nan 8.230 nan 0.000 0.418 42 G N 1.148 109.902 108.800 -0.077 0.000 2.572 42 G HA2 0.554 4.514 3.960 -0.000 0.000 0.261 42 G HA3 0.554 4.514 3.960 -0.000 0.000 0.261 42 G C -0.300 174.586 174.900 -0.024 0.000 1.197 42 G CA -0.130 44.875 45.100 -0.158 0.000 0.870 42 G HN 0.761 nan 8.290 nan 0.000 0.548 43 G N -0.744 108.178 108.800 0.202 0.000 2.740 43 G HA2 0.538 4.498 3.960 -0.000 0.000 0.296 43 G HA3 0.538 4.498 3.960 -0.000 0.000 0.296 43 G C -1.190 173.958 174.900 0.412 0.000 1.439 43 G CA -0.619 44.696 45.100 0.359 0.000 1.066 43 G HN 0.589 nan 8.290 nan 0.000 0.527 44 L N 1.744 123.073 121.223 0.177 0.000 2.376 44 L HA 0.666 5.005 4.340 -0.000 0.000 0.275 44 L C -1.289 175.507 176.870 -0.123 0.000 0.987 44 L CA -0.665 54.252 54.840 0.129 0.000 0.828 44 L CB 1.811 43.888 42.059 0.031 0.000 1.249 44 L HN 0.406 nan 8.230 nan 0.000 0.409 45 F N 3.183 123.166 119.950 0.056 0.000 2.581 45 F HA 0.374 4.901 4.527 -0.000 0.000 0.311 45 F C -2.109 173.654 175.800 -0.062 0.000 1.113 45 F CA -1.987 56.021 58.000 0.014 0.000 0.935 45 F CB 2.037 40.988 39.000 -0.082 0.000 1.232 45 F HN 0.261 nan 8.300 nan 0.000 0.445 46 P HA 0.171 nan 4.420 nan 0.000 0.231 46 P C 0.881 178.174 177.300 -0.011 0.000 1.756 46 P CA 0.452 63.588 63.100 0.059 0.000 0.990 46 P CB -0.301 31.406 31.700 0.012 0.000 1.973 47 I N -0.620 119.881 120.570 -0.115 0.000 2.286 47 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 47 I C 1.147 177.171 176.117 -0.155 0.000 1.115 47 I CA 1.192 62.332 61.300 -0.267 0.000 1.392 47 I CB -0.297 37.258 38.000 -0.742 0.000 1.065 47 I HN 0.182 nan 8.210 nan 0.000 0.418 48 N N 0.937 119.585 118.700 -0.086 0.000 2.361 48 N HA 0.232 4.972 4.740 -0.000 0.000 0.302 48 N C -0.411 175.106 175.510 0.011 0.000 1.074 48 N CA -0.422 52.618 53.050 -0.016 0.000 0.850 48 N CB 1.874 40.369 38.487 0.013 0.000 1.228 48 N HN -0.013 nan 8.380 nan 0.000 0.491 49 E N 0.721 120.927 120.200 0.010 0.000 2.409 49 E HA -0.007 4.343 4.350 -0.000 0.000 0.257 49 E C -0.176 176.419 176.600 -0.009 0.000 1.150 49 E CA -0.118 56.291 56.400 0.016 0.000 0.942 49 E CB 0.612 30.311 29.700 -0.002 0.000 0.979 49 E HN 0.237 nan 8.360 nan 0.000 0.447 50 K N 1.359 121.749 120.400 -0.018 0.000 2.436 50 K HA 0.124 4.444 4.320 -0.000 0.000 0.282 50 K C -0.161 176.407 176.600 -0.055 0.000 1.044 50 K CA 0.161 56.419 56.287 -0.048 0.000 1.028 50 K CB 0.019 32.482 32.500 -0.062 0.000 0.919 50 K HN 0.600 nan 8.250 nan 0.000 0.474 51 G N 2.765 111.522 108.800 -0.072 0.000 2.442 51 G HA2 0.107 4.066 3.960 -0.000 0.000 0.249 51 G HA3 0.107 4.066 3.960 -0.000 0.000 0.249 51 G C -0.183 174.689 174.900 -0.047 0.000 1.263 51 G CA -0.524 44.541 45.100 -0.058 0.000 0.846 51 G HN 0.716 nan 8.290 nan 0.000 0.555 52 T N -0.699 113.835 114.554 -0.035 0.000 2.909 52 T HA 0.709 5.059 4.350 -0.000 0.000 0.286 52 T C 0.952 175.640 174.700 -0.020 0.000 1.002 52 T CA 0.448 62.532 62.100 -0.026 0.000 1.074 52 T CB 1.394 70.249 68.868 -0.022 0.000 0.984 52 T HN 2.276 nan 8.240 nan 0.000 0.495 53 G N 2.002 110.793 108.800 -0.014 0.000 2.584 53 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.229 53 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.229 53 G C 0.898 175.791 174.900 -0.011 0.000 1.320 53 G CA 0.741 45.836 45.100 -0.010 0.000 0.891 53 G HN 1.701 nan 8.290 nan 0.000 0.573 54 T N -0.554 113.995 114.554 -0.007 0.000 2.833 54 T HA 0.066 4.416 4.350 -0.000 0.000 0.269 54 T C 1.231 175.924 174.700 -0.013 0.000 1.054 54 T CA 2.052 64.149 62.100 -0.006 0.000 1.135 54 T CB -0.619 68.249 68.868 -0.000 0.000 0.869 54 T HN 1.183 nan 8.240 nan 0.000 0.466 55 E N 1.400 121.589 120.200 -0.018 0.000 2.425 55 E HA 0.153 4.503 4.350 -0.000 0.000 0.258 55 E C 0.434 176.998 176.600 -0.061 0.000 1.151 55 E CA -0.260 56.122 56.400 -0.031 0.000 0.958 55 E CB 0.610 30.296 29.700 -0.024 0.000 0.968 55 E HN 0.468 nan 8.360 nan 0.000 0.451 56 E N -0.110 120.026 120.200 -0.107 0.000 2.332 56 E HA 0.127 4.477 4.350 -0.000 0.000 0.202 56 E C -0.419 176.046 176.600 -0.224 0.000 0.877 56 E CA 0.018 56.302 56.400 -0.194 0.000 0.979 56 E CB 0.763 30.264 29.700 -0.332 0.000 0.969 56 E HN 0.439 nan 8.360 nan 0.000 0.495 57 c N 1.982 120.471 118.600 -0.184 0.000 2.251 57 c HA 0.647 5.217 4.570 -0.000 0.000 0.323 57 c C 1.072 175.134 174.090 -0.045 0.000 1.241 57 c CA -1.039 55.217 56.329 -0.123 0.000 1.601 57 c CB 0.169 42.624 42.510 -0.091 0.000 2.251 57 c HN 0.444 nan 8.230 nan 0.000 0.488 58 G N 2.815 111.593 108.800 -0.036 0.000 2.928 58 G HA2 0.324 4.284 3.960 -0.000 0.000 0.163 58 G HA3 0.324 4.284 3.960 -0.000 0.000 0.163 58 G C 0.092 174.994 174.900 0.003 0.000 1.573 58 G CA -0.585 44.504 45.100 -0.017 0.000 1.084 58 G HN 0.734 nan 8.290 nan 0.000 0.569 59 R N -0.714 119.784 120.500 -0.003 0.000 2.738 59 R HA 0.163 4.502 4.340 -0.000 0.000 0.268 59 R C 0.158 176.469 176.300 0.019 0.000 1.062 59 R CA -0.513 55.590 56.100 0.006 0.000 1.158 59 R CB 0.424 30.716 30.300 -0.014 0.000 1.046 59 R HN 0.176 nan 8.270 nan 0.000 0.493 60 I N 2.233 122.827 120.570 0.040 0.000 2.648 60 I HA -0.096 4.074 4.170 -0.000 0.000 0.284 60 I C 0.582 176.717 176.117 0.030 0.000 1.153 60 I CA 0.170 61.503 61.300 0.055 0.000 1.426 60 I CB 0.137 38.210 38.000 0.123 0.000 1.381 60 I HN 0.506 nan 8.210 nan 0.000 0.571 61 N N 6.276 124.975 118.700 -0.001 0.000 2.406 61 N HA 0.059 4.798 4.740 -0.000 0.000 0.251 61 N C 0.883 176.379 175.510 -0.024 0.000 1.069 61 N CA 0.027 53.070 53.050 -0.013 0.000 0.947 61 N CB 0.917 39.389 38.487 -0.024 0.000 1.111 61 N HN 0.487 nan 8.380 nan 0.000 0.497 62 E N 2.158 122.370 120.200 0.019 0.000 2.008 62 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 62 E C 0.312 176.887 176.600 -0.042 0.000 0.986 62 E CA 1.091 57.522 56.400 0.051 0.000 0.807 62 E CB 0.242 30.050 29.700 0.180 0.000 0.766 62 E HN 0.598 nan 8.360 nan 0.000 0.450 63 D N 0.060 120.454 120.400 -0.010 0.000 2.137 63 D HA -0.034 4.606 4.640 -0.000 0.000 0.202 63 D C 1.832 178.079 176.300 -0.088 0.000 0.970 63 D CA 0.797 54.775 54.000 -0.036 0.000 0.837 63 D CB -0.009 40.793 40.800 0.002 0.000 0.981 63 D HN -0.001 nan 8.370 nan 0.000 0.475 64 R N 0.062 120.513 120.500 -0.080 0.000 2.300 64 R HA 0.161 4.500 4.340 -0.000 0.000 0.199 64 R C 1.746 178.002 176.300 -0.074 0.000 0.920 64 R CA 0.263 56.309 56.100 -0.090 0.000 1.046 64 R CB 0.577 30.814 30.300 -0.106 0.000 0.984 64 R HN 0.080 nan 8.270 nan 0.000 0.493 65 G N 0.796 109.542 108.800 -0.091 0.000 2.728 65 G HA2 -0.040 3.919 3.960 -0.000 0.000 0.223 65 G HA3 -0.040 3.919 3.960 -0.000 0.000 0.223 65 G C 1.170 175.966 174.900 -0.173 0.000 1.379 65 G CA -0.249 44.795 45.100 -0.093 0.000 0.870 65 G HN -0.061 nan 8.290 nan 0.000 0.591 66 I N 1.232 121.653 120.570 -0.248 0.000 2.151 66 I HA -0.196 3.974 4.170 -0.000 0.000 0.243 66 I C 2.732 178.687 176.117 -0.270 0.000 1.080 66 I CA 1.361 62.466 61.300 -0.324 0.000 1.339 66 I CB -1.145 36.419 38.000 -0.726 0.000 1.039 66 I HN 0.324 nan 8.210 nan 0.000 0.409 67 Q N 0.437 120.041 119.800 -0.328 0.000 1.967 67 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 67 Q C 2.435 178.292 176.000 -0.239 0.000 0.985 67 Q CA 1.710 57.268 55.803 -0.408 0.000 0.839 67 Q CB -0.079 28.413 28.738 -0.409 0.000 0.906 67 Q HN 0.387 nan 8.270 nan 0.000 0.423 68 R N 0.352 120.717 120.500 -0.225 0.000 2.133 68 R HA -0.201 4.139 4.340 -0.000 0.000 0.247 68 R C 2.399 178.554 176.300 -0.243 0.000 1.151 68 R CA 1.364 57.355 56.100 -0.182 0.000 0.971 68 R CB -0.573 29.677 30.300 -0.084 0.000 0.866 68 R HN 0.366 nan 8.270 nan 0.000 0.447 69 L N 1.023 121.945 121.223 -0.501 0.000 1.961 69 L HA -0.212 4.127 4.340 -0.000 0.000 0.210 69 L C 2.131 178.771 176.870 -0.383 0.000 1.072 69 L CA 1.641 55.867 54.840 -1.023 0.000 0.749 69 L CB -0.290 41.369 42.059 -0.668 0.000 0.889 69 L HN 0.172 nan 8.230 nan 0.000 0.432 70 E N 0.388 120.552 120.200 -0.060 0.000 2.086 70 E HA -0.294 4.056 4.350 -0.000 0.000 0.200 70 E C 2.123 179.007 176.600 0.473 0.000 1.012 70 E CA 1.530 58.086 56.400 0.261 0.000 0.812 70 E CB -0.502 29.412 29.700 0.357 0.000 0.743 70 E HN 0.668 nan 8.360 nan 0.000 0.453 71 A N 1.105 124.144 122.820 0.365 0.000 1.948 71 A HA -0.229 4.090 4.320 -0.000 0.000 0.220 71 A C 2.237 179.989 177.584 0.279 0.000 1.177 71 A CA 2.097 54.284 52.037 0.250 0.000 0.636 71 A CB -0.586 18.160 19.000 -0.424 0.000 0.815 71 A HN 0.339 nan 8.150 nan 0.000 0.449 72 M N -1.333 118.350 119.600 0.137 0.000 2.132 72 M HA -0.085 4.395 4.480 -0.000 0.000 0.263 72 M C 1.775 178.163 176.300 0.147 0.000 1.065 72 M CA 1.496 56.894 55.300 0.164 0.000 1.122 72 M CB -0.175 32.543 32.600 0.197 0.000 1.365 72 M HN 0.311 nan 8.290 nan 0.000 0.411 73 L N 0.203 121.515 121.223 0.148 0.000 1.989 73 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 73 L C 2.289 179.220 176.870 0.101 0.000 1.071 73 L CA 2.020 56.942 54.840 0.136 0.000 0.749 73 L CB -1.540 40.635 42.059 0.193 0.000 0.890 73 L HN 0.434 nan 8.230 nan 0.000 0.431 74 F N 0.539 120.479 119.950 -0.018 0.000 2.063 74 F HA -0.352 4.175 4.527 -0.000 0.000 0.298 74 F C 2.356 178.104 175.800 -0.087 0.000 1.109 74 F CA 1.855 59.674 58.000 -0.301 0.000 1.212 74 F CB -0.791 38.092 39.000 -0.195 0.000 0.973 74 F HN 0.068 nan 8.300 nan 0.000 0.480 75 A N 1.120 123.873 122.820 -0.111 0.000 1.892 75 A HA -0.192 4.127 4.320 -0.000 0.000 0.218 75 A C 2.324 179.804 177.584 -0.173 0.000 1.188 75 A CA 2.020 53.999 52.037 -0.096 0.000 0.631 75 A CB -1.140 17.969 19.000 0.182 0.000 0.822 75 A HN 0.498 nan 8.150 nan 0.000 0.447 76 I N 0.223 120.727 120.570 -0.111 0.000 2.113 76 I HA -0.218 3.952 4.170 -0.000 0.000 0.238 76 I C 2.021 178.051 176.117 -0.144 0.000 1.070 76 I CA 1.906 63.136 61.300 -0.118 0.000 1.332 76 I CB -1.621 36.353 38.000 -0.042 0.000 1.044 76 I HN 0.293 nan 8.210 nan 0.000 0.402 77 D N 0.850 121.162 120.400 -0.146 0.000 2.157 77 D HA -0.226 4.414 4.640 -0.000 0.000 0.191 77 D C 2.132 178.332 176.300 -0.168 0.000 1.004 77 D CA 1.345 55.255 54.000 -0.150 0.000 0.854 77 D CB -0.158 40.527 40.800 -0.191 0.000 0.936 77 D HN 0.329 nan 8.370 nan 0.000 0.446 78 E N -0.006 120.041 120.200 -0.254 0.000 2.072 78 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 78 E C 2.497 179.070 176.600 -0.045 0.000 0.985 78 E CA 0.285 56.611 56.400 -0.124 0.000 0.801 78 E CB -0.232 29.428 29.700 -0.066 0.000 0.750 78 E HN 0.426 nan 8.360 nan 0.000 0.452 79 I N 1.753 122.239 120.570 -0.140 0.000 2.614 79 I HA -0.219 3.950 4.170 -0.000 0.000 0.258 79 I C 1.707 177.735 176.117 -0.148 0.000 1.189 79 I CA 0.635 61.810 61.300 -0.208 0.000 1.462 79 I CB -0.194 37.572 38.000 -0.389 0.000 1.092 79 I HN 0.025 nan 8.210 nan 0.000 0.442 80 N N 0.689 119.318 118.700 -0.118 0.000 2.395 80 N HA -0.107 4.633 4.740 -0.000 0.000 0.175 80 N C 1.729 177.197 175.510 -0.070 0.000 1.029 80 N CA 0.785 53.781 53.050 -0.091 0.000 0.897 80 N CB 0.011 38.453 38.487 -0.075 0.000 0.991 80 N HN 0.329 nan 8.380 nan 0.000 0.441 81 K N 0.824 121.190 120.400 -0.056 0.000 2.365 81 K HA -0.033 4.286 4.320 -0.000 0.000 0.197 81 K C 0.034 176.616 176.600 -0.030 0.000 1.042 81 K CA 0.141 56.408 56.287 -0.033 0.000 0.987 81 K CB 0.216 32.708 32.500 -0.014 0.000 0.779 81 K HN -0.023 nan 8.250 nan 0.000 0.484 82 D N 0.067 120.445 120.400 -0.037 0.000 2.345 82 D HA 0.029 4.669 4.640 -0.000 0.000 0.247 82 D C 0.321 176.562 176.300 -0.099 0.000 1.108 82 D CA 0.121 54.101 54.000 -0.033 0.000 0.894 82 D CB 0.954 41.744 40.800 -0.017 0.000 1.203 82 D HN 0.019 nan 8.370 nan 0.000 0.430 83 N N 2.131 120.743 118.700 -0.148 0.000 2.432 83 N HA -0.066 4.674 4.740 -0.000 0.000 0.174 83 N C 0.715 175.980 175.510 -0.409 0.000 1.037 83 N CA 0.416 53.274 53.050 -0.321 0.000 0.892 83 N CB 0.110 38.300 38.487 -0.495 0.000 1.049 83 N HN 0.508 nan 8.380 nan 0.000 0.442 84 Y N 0.407 120.673 120.300 -0.056 0.000 2.461 84 Y HA 0.276 4.826 4.550 -0.001 0.000 0.277 84 Y C 0.112 175.900 175.900 -0.188 0.000 1.182 84 Y CA -0.262 57.808 58.100 -0.050 0.000 1.276 84 Y CB 0.478 38.939 38.460 0.002 0.000 1.087 84 Y HN -0.066 nan 8.280 nan 0.000 0.519 85 L N 0.170 121.246 121.223 -0.243 0.000 2.482 85 L HA 0.467 4.807 4.340 -0.000 0.000 0.269 85 L C -0.961 175.601 176.870 -0.512 0.000 0.967 85 L CA -1.324 53.136 54.840 -0.634 0.000 0.851 85 L CB 1.074 42.870 42.059 -0.439 0.000 1.242 85 L HN 0.021 nan 8.230 nan 0.000 0.404 86 L N 7.705 128.566 121.223 -0.604 0.000 3.543 86 L HA -0.163 4.176 4.340 -0.000 0.000 0.591 86 L C -1.760 175.021 176.870 -0.150 0.000 1.028 86 L CA 0.914 55.632 54.840 -0.203 0.000 1.086 86 L CB -0.436 41.520 42.059 -0.171 0.000 1.124 86 L HN 0.714 nan 8.230 nan 0.000 0.705 87 P HA 0.106 nan 4.420 nan 0.000 0.210 87 P C 1.159 178.427 177.300 -0.053 0.000 1.130 87 P CA 1.248 64.297 63.100 -0.085 0.000 0.905 87 P CB 0.362 32.011 31.700 -0.085 0.000 0.774 88 G N 0.128 108.912 108.800 -0.027 0.000 3.124 88 G HA2 0.207 4.167 3.960 -0.000 0.000 0.212 88 G HA3 0.207 4.167 3.960 -0.000 0.000 0.212 88 G C 0.147 175.038 174.900 -0.015 0.000 1.181 88 G CA 0.158 45.247 45.100 -0.018 0.000 0.803 88 G HN 0.182 nan 8.290 nan 0.000 0.529 89 V N 0.827 120.728 119.914 -0.022 0.000 2.380 89 V HA 0.237 4.357 4.120 -0.000 0.000 0.268 89 V C 0.179 176.251 176.094 -0.037 0.000 1.008 89 V CA -1.366 60.922 62.300 -0.020 0.000 0.823 89 V CB 1.091 32.909 31.823 -0.008 0.000 1.053 89 V HN 0.286 nan 8.190 nan 0.000 0.446 90 K N 4.130 124.510 120.400 -0.034 0.000 2.448 90 K HA 0.300 4.620 4.320 -0.000 0.000 0.278 90 K C -0.619 175.959 176.600 -0.037 0.000 1.009 90 K CA -0.211 56.053 56.287 -0.040 0.000 0.995 90 K CB 0.576 33.058 32.500 -0.030 0.000 0.917 90 K HN 0.540 nan 8.250 nan 0.000 0.481 91 L N 4.087 125.281 121.223 -0.049 0.000 2.264 91 L HA 0.330 4.670 4.340 -0.000 0.000 0.289 91 L C 0.673 177.533 176.870 -0.017 0.000 1.044 91 L CA -0.598 54.217 54.840 -0.041 0.000 0.807 91 L CB 1.400 43.417 42.059 -0.070 0.000 1.192 91 L HN 0.840 nan 8.230 nan 0.000 0.425 92 G N 2.507 111.309 108.800 0.004 0.000 2.434 92 G HA2 0.592 4.552 3.960 -0.000 0.000 0.330 92 G HA3 0.592 4.552 3.960 -0.000 0.000 0.330 92 G C -0.777 174.159 174.900 0.060 0.000 1.155 92 G CA -0.378 44.737 45.100 0.026 0.000 0.917 92 G HN 0.455 nan 8.290 nan 0.000 0.493 93 V N -1.025 118.943 119.914 0.090 0.000 2.962 93 V HA 0.762 4.881 4.120 -0.000 0.000 0.313 93 V C -1.065 175.172 176.094 0.237 0.000 1.099 93 V CA -1.065 61.328 62.300 0.155 0.000 0.971 93 V CB 1.853 33.765 31.823 0.149 0.000 1.028 93 V HN 0.978 nan 8.190 nan 0.000 0.430 94 H N 4.282 123.468 119.070 0.194 0.000 3.036 94 H HA 0.601 5.157 4.556 -0.000 0.000 0.295 94 H C -1.220 174.317 175.328 0.349 0.000 1.124 94 H CA -0.883 55.308 56.048 0.238 0.000 1.507 94 H CB 1.151 31.067 29.762 0.256 0.000 1.591 94 H HN 0.764 nan 8.280 nan 0.000 0.510 95 I N 6.564 127.437 120.570 0.505 0.000 2.359 95 I HA 0.247 4.417 4.170 -0.000 0.000 0.294 95 I C -0.567 175.829 176.117 0.465 0.000 0.987 95 I CA -0.701 60.870 61.300 0.453 0.000 1.225 95 I CB 1.640 39.861 38.000 0.368 0.000 1.366 95 I HN 0.397 nan 8.210 nan 0.000 0.466 96 L N 4.613 126.061 121.223 0.374 0.000 2.362 96 L HA 0.462 4.801 4.340 -0.000 0.000 0.271 96 L C -0.319 176.677 176.870 0.210 0.000 1.002 96 L CA -0.888 54.130 54.840 0.295 0.000 0.818 96 L CB 2.040 44.140 42.059 0.068 0.000 1.298 96 L HN 0.490 nan 8.230 nan 0.000 0.420 97 D N 0.712 121.216 120.400 0.175 0.000 2.382 97 D HA 0.082 4.722 4.640 -0.000 0.000 0.245 97 D C 0.837 177.254 176.300 0.196 0.000 1.120 97 D CA -0.007 54.006 54.000 0.020 0.000 0.890 97 D CB 1.708 42.493 40.800 -0.024 0.000 1.201 97 D HN 0.699 nan 8.370 nan 0.000 0.433 98 T N -1.048 113.624 114.554 0.197 0.000 3.054 98 T HA 0.056 4.406 4.350 -0.000 0.000 0.255 98 T C 1.269 176.233 174.700 0.440 0.000 1.035 98 T CA -0.096 62.173 62.100 0.282 0.000 0.941 98 T CB -0.946 68.027 68.868 0.176 0.000 1.026 98 T HN 0.547 nan 8.240 nan 0.000 0.533 99 c N 1.851 120.626 118.600 0.291 0.000 4.056 99 c HA -0.214 4.356 4.570 -0.000 0.000 0.298 99 c C 1.626 175.774 174.090 0.096 0.000 1.456 99 c CA 0.398 56.780 56.329 0.088 0.000 2.037 99 c CB -3.242 39.119 42.510 -0.248 0.000 1.295 99 c HN 0.843 nan 8.230 nan 0.000 0.733 100 S N -1.902 113.909 115.700 0.185 0.000 3.002 100 S HA -0.299 4.170 4.470 -0.000 0.000 0.289 100 S C 0.470 175.141 174.600 0.117 0.000 1.309 100 S CA 1.977 60.324 58.200 0.245 0.000 1.195 100 S CB -0.626 62.693 63.200 0.197 0.000 1.433 100 S HN 0.955 nan 8.310 nan 0.000 0.711 101 R N 0.987 121.564 120.500 0.130 0.000 2.460 101 R HA 0.308 4.648 4.340 -0.000 0.000 0.303 101 R C 1.070 177.454 176.300 0.141 0.000 0.968 101 R CA -0.114 56.042 56.100 0.093 0.000 0.889 101 R CB 0.803 31.148 30.300 0.075 0.000 1.123 101 R HN 0.183 nan 8.270 nan 0.000 0.455 102 D N 2.302 122.754 120.400 0.085 0.000 2.078 102 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 102 D C 1.424 177.778 176.300 0.090 0.000 0.990 102 D CA 2.395 56.443 54.000 0.079 0.000 0.827 102 D CB -1.068 39.759 40.800 0.045 0.000 0.975 102 D HN 0.702 nan 8.370 nan 0.000 0.451 103 T N -2.515 112.092 114.554 0.087 0.000 2.760 103 T HA -0.312 4.038 4.350 -0.000 0.000 0.269 103 T C 1.990 176.767 174.700 0.129 0.000 1.047 103 T CA 1.466 63.620 62.100 0.090 0.000 1.139 103 T CB -0.970 67.947 68.868 0.082 0.000 0.855 103 T HN 0.271 nan 8.240 nan 0.000 0.471 104 Y N 2.192 122.509 120.300 0.027 0.000 2.176 104 Y HA 0.359 4.909 4.550 -0.000 0.000 0.291 104 Y C 2.810 178.733 175.900 0.038 0.000 1.122 104 Y CA 0.536 58.655 58.100 0.032 0.000 1.128 104 Y CB -0.969 37.514 38.460 0.038 0.000 1.005 104 Y HN 0.253 nan 8.280 nan 0.000 0.509 105 A N 0.672 123.515 122.820 0.039 0.000 1.908 105 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 105 A C 2.386 179.934 177.584 -0.060 0.000 1.181 105 A CA 1.766 53.779 52.037 -0.039 0.000 0.627 105 A CB -1.307 17.733 19.000 0.067 0.000 0.818 105 A HN 0.620 nan 8.150 nan 0.000 0.445 106 L N -0.445 120.772 121.223 -0.011 0.000 1.990 106 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 106 L C 2.686 179.524 176.870 -0.053 0.000 1.072 106 L CA 2.285 57.123 54.840 -0.005 0.000 0.755 106 L CB -0.460 41.612 42.059 0.021 0.000 0.889 106 L HN 0.536 nan 8.230 nan 0.000 0.432 107 E N -0.892 119.258 120.200 -0.085 0.000 2.058 107 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 107 E C 2.193 178.676 176.600 -0.195 0.000 0.997 107 E CA 1.373 57.704 56.400 -0.116 0.000 0.801 107 E CB -0.129 29.511 29.700 -0.100 0.000 0.746 107 E HN 0.558 nan 8.360 nan 0.000 0.450 108 Q N 0.398 120.016 119.800 -0.303 0.000 2.061 108 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 108 Q C 2.402 178.189 176.000 -0.356 0.000 0.984 108 Q CA 1.240 56.838 55.803 -0.342 0.000 0.846 108 Q CB -0.466 28.049 28.738 -0.372 0.000 0.902 108 Q HN 0.148 nan 8.270 nan 0.000 0.421 109 S N 1.284 116.871 115.700 -0.189 0.000 2.440 109 S HA -0.134 4.336 4.470 -0.000 0.000 0.240 109 S C 1.814 176.340 174.600 -0.123 0.000 1.014 109 S CA 0.560 58.748 58.200 -0.021 0.000 0.980 109 S CB -0.217 63.083 63.200 0.166 0.000 0.775 109 S HN 0.170 nan 8.310 nan 0.000 0.499 110 L N 1.782 122.902 121.223 -0.171 0.000 2.261 110 L HA -0.067 4.273 4.340 -0.000 0.000 0.216 110 L C 2.190 178.912 176.870 -0.246 0.000 1.114 110 L CA 1.472 56.205 54.840 -0.178 0.000 0.777 110 L CB -0.804 41.175 42.059 -0.134 0.000 0.910 110 L HN 0.185 nan 8.230 nan 0.000 0.440 111 E N -0.866 119.108 120.200 -0.377 0.000 2.118 111 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 111 E C 2.010 178.375 176.600 -0.393 0.000 0.992 111 E CA 1.706 57.844 56.400 -0.438 0.000 0.804 111 E CB -0.251 29.030 29.700 -0.698 0.000 0.741 111 E HN 0.558 nan 8.360 nan 0.000 0.458 112 F N -0.505 119.344 119.950 -0.168 0.000 2.187 112 F HA -0.093 4.434 4.527 -0.001 0.000 0.295 112 F C 2.370 178.051 175.800 -0.198 0.000 1.091 112 F CA 0.788 58.700 58.000 -0.147 0.000 1.308 112 F CB -0.670 38.249 39.000 -0.135 0.000 1.030 112 F HN 0.015 nan 8.300 nan 0.000 0.487 113 V N -0.584 119.232 119.914 -0.165 0.000 2.515 113 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 113 V C 2.263 178.113 176.094 -0.408 0.000 1.058 113 V CA 1.730 63.705 62.300 -0.543 0.000 1.064 113 V CB -0.913 30.078 31.823 -1.386 0.000 0.675 113 V HN 0.358 nan 8.190 nan 0.000 0.461 114 R N 1.067 121.406 120.500 -0.268 0.000 2.148 114 R HA 0.074 4.414 4.340 -0.000 0.000 0.227 114 R C 1.996 178.256 176.300 -0.066 0.000 1.103 114 R CA 1.261 57.273 56.100 -0.146 0.000 0.983 114 R CB -0.411 29.818 30.300 -0.118 0.000 0.874 114 R HN 0.605 nan 8.270 nan 0.000 0.451 115 A N -0.359 122.437 122.820 -0.040 0.000 2.252 115 A HA 0.048 4.368 4.320 -0.000 0.000 0.207 115 A C 1.547 179.153 177.584 0.037 0.000 1.194 115 A CA 0.544 52.598 52.037 0.029 0.000 0.809 115 A CB 0.033 19.095 19.000 0.104 0.000 0.814 115 A HN 0.261 nan 8.150 nan 0.000 0.482 116 S N -0.587 115.123 115.700 0.016 0.000 2.503 116 S HA 0.223 4.693 4.470 -0.000 0.000 0.217 116 S C 0.621 175.248 174.600 0.046 0.000 0.999 116 S CA -0.154 58.072 58.200 0.043 0.000 0.914 116 S CB -0.233 63.008 63.200 0.068 0.000 0.782 116 S HN 0.405 nan 8.310 nan 0.000 0.520 139 P HA 0.410 nan 4.420 nan 0.000 0.280 139 P C -0.637 176.677 177.300 0.023 0.000 1.244 139 P CA 0.089 63.196 63.100 0.012 0.000 0.784 139 P CB 1.595 33.303 31.700 0.014 0.000 0.913 140 L N 3.392 124.650 121.223 0.058 0.000 2.272 140 L HA 0.237 4.577 4.340 -0.000 0.000 0.289 140 L C 0.526 177.457 176.870 0.102 0.000 1.032 140 L CA -1.323 53.562 54.840 0.076 0.000 0.810 140 L CB 1.508 43.627 42.059 0.099 0.000 1.205 140 L HN 0.333 nan 8.230 nan 0.000 0.422 141 L N 6.053 127.317 121.223 0.068 0.000 2.704 141 L HA 0.112 4.451 4.340 -0.000 0.000 0.279 141 L C 0.035 176.950 176.870 0.074 0.000 1.147 141 L CA 0.446 55.324 54.840 0.063 0.000 0.994 141 L CB -0.359 41.725 42.059 0.042 0.000 1.332 141 L HN 0.285 nan 8.230 nan 0.000 0.471 142 I N 4.692 125.318 120.570 0.093 0.000 2.529 142 I HA 0.090 4.260 4.170 -0.000 0.000 0.284 142 I C 1.295 177.429 176.117 0.028 0.000 1.082 142 I CA 0.386 61.733 61.300 0.078 0.000 1.406 142 I CB 0.579 38.636 38.000 0.096 0.000 1.405 142 I HN 0.750 nan 8.210 nan 0.000 0.548 143 A N 5.154 127.975 122.820 0.002 0.000 1.942 143 A HA 0.537 4.857 4.320 -0.000 0.000 0.209 143 A C 0.956 178.512 177.584 -0.046 0.000 1.214 143 A CA 0.823 52.851 52.037 -0.015 0.000 0.686 143 A CB 0.028 19.015 19.000 -0.022 0.000 0.871 143 A HN 0.809 nan 8.150 nan 0.000 0.460 144 G N -1.732 107.018 108.800 -0.083 0.000 2.673 144 G HA2 0.488 4.447 3.960 -0.000 0.000 0.292 144 G HA3 0.488 4.447 3.960 -0.000 0.000 0.292 144 G C -1.737 173.052 174.900 -0.185 0.000 1.450 144 G CA -0.301 44.725 45.100 -0.123 0.000 0.837 144 G HN 0.337 nan 8.290 nan 0.000 0.505 145 V N 2.284 122.057 119.914 -0.235 0.000 2.370 145 V HA 0.388 4.508 4.120 -0.000 0.000 0.283 145 V C -0.206 175.770 176.094 -0.196 0.000 1.023 145 V CA -0.839 61.256 62.300 -0.341 0.000 0.857 145 V CB 1.497 33.017 31.823 -0.504 0.000 0.985 145 V HN 0.582 nan 8.190 nan 0.000 0.443 146 I N 5.097 125.594 120.570 -0.121 0.000 2.287 146 I HA 0.705 4.874 4.170 -0.000 0.000 0.290 146 I C 0.685 176.764 176.117 -0.064 0.000 1.069 146 I CA 0.557 61.844 61.300 -0.021 0.000 1.237 146 I CB 0.408 38.469 38.000 0.102 0.000 1.418 146 I HN 0.828 nan 8.210 nan 0.000 0.481 147 G N 3.224 111.928 108.800 -0.161 0.000 2.338 147 G HA2 0.542 4.502 3.960 -0.000 0.000 0.295 147 G HA3 0.542 4.502 3.960 -0.000 0.000 0.295 147 G C -0.618 174.067 174.900 -0.358 0.000 1.461 147 G CA -0.050 44.877 45.100 -0.288 0.000 0.817 147 G HN 0.777 nan 8.290 nan 0.000 0.556 148 G N -0.849 107.687 108.800 -0.440 0.000 2.551 148 G HA2 0.334 4.294 3.960 -0.000 0.000 0.604 148 G HA3 0.334 4.294 3.960 -0.000 0.000 0.604 148 G C 0.440 175.029 174.900 -0.519 0.000 1.116 148 G CA 0.714 45.627 45.100 -0.312 0.000 1.285 148 G HN 1.443 nan 8.290 nan 0.000 0.586 149 S N 0.368 115.823 115.700 -0.409 0.000 2.317 149 S HA 0.190 4.660 4.470 -0.000 0.000 0.212 149 S C 1.172 175.554 174.600 -0.363 0.000 1.030 149 S CA 0.703 58.649 58.200 -0.423 0.000 0.970 149 S CB -0.146 62.859 63.200 -0.324 0.000 0.928 149 S HN 0.530 nan 8.310 nan 0.000 0.451 150 Y N 1.962 122.177 120.300 -0.141 0.000 2.425 150 Y HA 0.101 4.651 4.550 -0.001 0.000 0.331 150 Y C 1.897 177.728 175.900 -0.115 0.000 1.157 150 Y CA -0.232 57.779 58.100 -0.147 0.000 1.372 150 Y CB 0.613 39.015 38.460 -0.097 0.000 1.253 150 Y HN 0.176 nan 8.280 nan 0.000 0.536 151 S N 1.020 116.768 115.700 0.080 0.000 2.359 151 S HA -0.255 4.215 4.470 -0.000 0.000 0.224 151 S C 2.099 176.708 174.600 0.015 0.000 1.035 151 S CA 1.670 59.894 58.200 0.040 0.000 1.018 151 S CB -0.379 62.916 63.200 0.159 0.000 0.876 151 S HN 0.816 nan 8.310 nan 0.000 0.448 152 S N 1.009 116.759 115.700 0.085 0.000 2.393 152 S HA -0.184 4.285 4.470 -0.000 0.000 0.234 152 S C 1.988 176.600 174.600 0.021 0.000 1.064 152 S CA 1.649 59.878 58.200 0.048 0.000 1.088 152 S CB -0.829 62.397 63.200 0.043 0.000 0.939 152 S HN 0.476 nan 8.310 nan 0.000 0.448 153 V N 0.618 120.562 119.914 0.049 0.000 2.878 153 V HA 0.033 4.153 4.120 -0.000 0.000 0.250 153 V C 2.036 178.121 176.094 -0.016 0.000 1.075 153 V CA 1.711 64.031 62.300 0.034 0.000 1.096 153 V CB -0.397 31.474 31.823 0.080 0.000 0.724 153 V HN 0.434 nan 8.190 nan 0.000 0.467 154 S N 0.329 115.997 115.700 -0.053 0.000 2.382 154 S HA -0.076 4.393 4.470 -0.000 0.000 0.228 154 S C 1.663 176.153 174.600 -0.183 0.000 1.027 154 S CA 2.058 60.211 58.200 -0.077 0.000 0.991 154 S CB -0.357 62.798 63.200 -0.074 0.000 0.823 154 S HN 0.671 nan 8.310 nan 0.000 0.469 155 I N 1.086 121.498 120.570 -0.263 0.000 2.110 155 I HA -0.169 4.001 4.170 -0.000 0.000 0.236 155 I C 2.711 178.745 176.117 -0.137 0.000 1.068 155 I CA 0.958 62.039 61.300 -0.364 0.000 1.333 155 I CB -0.549 37.263 38.000 -0.314 0.000 1.054 155 I HN 0.173 nan 8.210 nan 0.000 0.402 156 Q N 0.582 120.349 119.800 -0.055 0.000 2.197 156 Q HA -0.207 4.133 4.340 -0.000 0.000 0.211 156 Q C 2.375 178.388 176.000 0.021 0.000 0.993 156 Q CA 1.636 57.442 55.803 0.005 0.000 0.883 156 Q CB -0.558 28.191 28.738 0.018 0.000 0.916 156 Q HN 0.448 nan 8.270 nan 0.000 0.418 157 V N 0.284 120.204 119.914 0.009 0.000 2.346 157 V HA -0.172 3.948 4.120 -0.000 0.000 0.244 157 V C 2.362 178.490 176.094 0.057 0.000 1.037 157 V CA 1.429 63.753 62.300 0.039 0.000 1.029 157 V CB -1.039 30.808 31.823 0.040 0.000 0.663 157 V HN 0.326 nan 8.190 nan 0.000 0.454 158 A N 0.816 123.658 122.820 0.037 0.000 1.917 158 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 158 A C 1.962 179.629 177.584 0.138 0.000 1.182 158 A CA 2.212 54.308 52.037 0.098 0.000 0.633 158 A CB -0.812 18.191 19.000 0.005 0.000 0.819 158 A HN 0.604 nan 8.150 nan 0.000 0.448 159 N N -0.704 118.073 118.700 0.128 0.000 2.348 159 N HA -0.136 4.604 4.740 -0.000 0.000 0.185 159 N C 1.385 176.967 175.510 0.120 0.000 1.019 159 N CA 1.522 54.658 53.050 0.143 0.000 0.880 159 N CB -0.353 38.209 38.487 0.124 0.000 0.965 159 N HN 0.578 nan 8.380 nan 0.000 0.437 160 L N -0.605 120.691 121.223 0.122 0.000 2.388 160 L HA 0.163 4.503 4.340 -0.000 0.000 0.209 160 L C 1.505 178.509 176.870 0.223 0.000 1.061 160 L CA 0.518 55.458 54.840 0.166 0.000 0.834 160 L CB -0.121 42.013 42.059 0.125 0.000 1.029 160 L HN -0.136 nan 8.230 nan 0.000 0.473 161 L N 0.803 122.106 121.223 0.135 0.000 2.191 161 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 161 L C 2.746 179.614 176.870 -0.004 0.000 1.103 161 L CA 1.865 56.760 54.840 0.092 0.000 0.769 161 L CB -1.381 40.700 42.059 0.035 0.000 0.908 161 L HN 0.477 nan 8.230 nan 0.000 0.438 162 R N -1.000 119.483 120.500 -0.029 0.000 2.075 162 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 162 R C 1.962 178.118 176.300 -0.241 0.000 1.126 162 R CA 0.977 56.952 56.100 -0.208 0.000 0.963 162 R CB -0.874 29.431 30.300 0.008 0.000 0.858 162 R HN 0.128 nan 8.270 nan 0.000 0.435 163 L N 0.452 121.613 121.223 -0.102 0.000 2.447 163 L HA -0.038 4.302 4.340 -0.000 0.000 0.225 163 L C 0.700 177.168 176.870 -0.669 0.000 1.148 163 L CA 1.532 56.183 54.840 -0.314 0.000 0.808 163 L CB -0.249 41.654 42.059 -0.259 0.000 0.928 163 L HN 0.192 nan 8.230 nan 0.000 0.448 164 F N -1.874 117.967 119.950 -0.181 0.000 2.817 164 F HA 0.250 4.777 4.527 0.001 0.000 0.319 164 F C 0.485 176.134 175.800 -0.252 0.000 1.136 164 F CA -0.914 56.991 58.000 -0.158 0.000 1.177 164 F CB -0.437 38.512 39.000 -0.085 0.000 1.088 164 F HN -0.099 nan 8.300 nan 0.000 0.520 165 Q N 1.358 120.917 119.800 -0.402 0.000 2.448 165 Q HA -0.185 4.154 4.340 -0.000 0.000 0.356 165 Q C -0.753 175.043 176.000 -0.341 0.000 1.430 165 Q CA 0.593 55.934 55.803 -0.771 0.000 1.011 165 Q CB -1.469 27.074 28.738 -0.325 0.000 1.203 165 Q HN 0.492 nan 8.270 nan 0.000 0.351 166 I N 1.933 122.332 120.570 -0.286 0.000 2.418 166 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 166 I C -2.010 174.152 176.117 0.074 0.000 1.008 166 I CA -2.500 58.779 61.300 -0.035 0.000 1.104 166 I CB 1.820 39.797 38.000 -0.037 0.000 1.264 166 I HN 0.010 nan 8.210 nan 0.000 0.438 167 P HA 0.053 nan 4.420 nan 0.000 0.271 167 P C -1.232 176.066 177.300 -0.003 0.000 1.226 167 P CA -0.087 63.089 63.100 0.125 0.000 0.765 167 P CB 1.078 32.846 31.700 0.113 0.000 0.835 168 Q N 3.085 122.879 119.800 -0.009 0.000 2.301 168 Q HA 0.642 4.981 4.340 -0.000 0.000 0.267 168 Q C -1.246 174.609 176.000 -0.242 0.000 1.035 168 Q CA -0.917 54.822 55.803 -0.107 0.000 0.856 168 Q CB 1.242 29.967 28.738 -0.022 0.000 1.337 168 Q HN 0.395 nan 8.270 nan 0.000 0.450 169 I N 1.710 122.118 120.570 -0.271 0.000 2.534 169 I HA 0.217 4.387 4.170 -0.000 0.000 0.286 169 I C -0.742 175.199 176.117 -0.294 0.000 1.094 169 I CA -0.454 60.673 61.300 -0.288 0.000 1.055 169 I CB 2.205 40.228 38.000 0.039 0.000 1.225 169 I HN 0.446 nan 8.210 nan 0.000 0.435 170 S N 4.108 119.552 115.700 -0.427 0.000 2.578 170 S HA 0.451 4.921 4.470 -0.000 0.000 0.283 170 S C 0.151 174.639 174.600 -0.187 0.000 1.195 170 S CA -0.359 57.648 58.200 -0.321 0.000 1.050 170 S CB 0.673 63.825 63.200 -0.079 0.000 1.012 170 S HN 0.549 nan 8.310 nan 0.000 0.511 171 Y N 2.014 122.298 120.300 -0.027 0.000 2.524 171 Y HA 0.730 5.280 4.550 -0.000 0.000 0.266 171 Y C 0.845 176.703 175.900 -0.070 0.000 1.180 171 Y CA -0.126 57.991 58.100 0.028 0.000 1.244 171 Y CB -0.334 38.154 38.460 0.045 0.000 1.125 171 Y HN 0.643 nan 8.280 nan 0.000 0.524 172 A N -1.160 121.493 122.820 -0.278 0.000 2.461 172 A HA 0.196 4.516 4.320 -0.000 0.000 0.149 172 A C 0.456 177.924 177.584 -0.193 0.000 1.814 172 A CA -0.138 51.767 52.037 -0.220 0.000 1.337 172 A CB -0.654 18.270 19.000 -0.125 0.000 1.556 172 A HN 0.082 nan 8.150 nan 0.000 0.392 173 S N 2.011 117.610 115.700 -0.168 0.000 2.525 173 S HA 0.325 4.794 4.470 -0.000 0.000 0.285 173 S C 1.208 175.825 174.600 0.028 0.000 1.283 173 S CA 0.904 59.069 58.200 -0.059 0.000 1.072 173 S CB 0.704 63.888 63.200 -0.026 0.000 0.867 173 S HN 0.660 nan 8.310 nan 0.000 0.492 174 T N -1.128 113.490 114.554 0.107 0.000 3.040 174 T HA 0.178 4.528 4.350 -0.000 0.000 0.266 174 T C 0.689 175.495 174.700 0.176 0.000 1.005 174 T CA -0.322 61.874 62.100 0.161 0.000 0.906 174 T CB 0.167 69.172 68.868 0.229 0.000 1.082 174 T HN 0.484 nan 8.240 nan 0.000 0.531 175 S N 1.350 117.142 115.700 0.154 0.000 2.563 175 S HA 0.382 4.852 4.470 -0.000 0.000 0.294 175 S C 1.787 176.403 174.600 0.028 0.000 1.279 175 S CA 0.120 58.369 58.200 0.082 0.000 1.069 175 S CB 0.331 63.553 63.200 0.036 0.000 0.828 175 S HN 0.538 nan 8.310 nan 0.000 0.497 176 A N 5.249 128.090 122.820 0.035 0.000 2.024 176 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 176 A C 2.104 179.686 177.584 -0.004 0.000 1.164 176 A CA 1.836 53.882 52.037 0.014 0.000 0.643 176 A CB -0.600 18.409 19.000 0.016 0.000 0.806 176 A HN 0.961 nan 8.150 nan 0.000 0.451 177 K N -0.352 120.054 120.400 0.010 0.000 2.113 177 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 177 K C 1.649 178.366 176.600 0.194 0.000 1.047 177 K CA 1.497 57.831 56.287 0.079 0.000 0.928 177 K CB -0.318 32.228 32.500 0.076 0.000 0.716 177 K HN 0.538 nan 8.250 nan 0.000 0.446 178 L N 0.115 121.335 121.223 -0.006 0.000 2.291 178 L HA -0.115 4.225 4.340 -0.000 0.000 0.214 178 L C 2.166 179.126 176.870 0.149 0.000 1.120 178 L CA 0.621 55.398 54.840 -0.105 0.000 0.799 178 L CB -0.159 41.553 42.059 -0.577 0.000 0.925 178 L HN 0.131 nan 8.230 nan 0.000 0.446 179 S N -0.717 115.043 115.700 0.099 0.000 2.419 179 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 179 S C 0.806 175.534 174.600 0.214 0.000 1.016 179 S CA 0.716 58.984 58.200 0.114 0.000 0.974 179 S CB -0.451 62.669 63.200 -0.133 0.000 0.786 179 S HN 0.434 nan 8.310 nan 0.000 0.492 180 D N 2.119 122.619 120.400 0.167 0.000 2.380 180 D HA -0.016 4.623 4.640 -0.000 0.000 0.270 180 D C 0.642 177.005 176.300 0.105 0.000 1.363 180 D CA 0.179 54.246 54.000 0.112 0.000 1.057 180 D CB 0.159 40.953 40.800 -0.010 0.000 1.096 180 D HN -0.120 nan 8.370 nan 0.000 0.524 181 K N 1.713 122.222 120.400 0.182 0.000 2.632 181 K HA -0.022 4.298 4.320 -0.000 0.000 0.196 181 K C 1.180 177.811 176.600 0.051 0.000 1.023 181 K CA 0.222 56.599 56.287 0.149 0.000 1.098 181 K CB -0.212 32.389 32.500 0.167 0.000 0.862 181 K HN 0.463 nan 8.250 nan 0.000 0.504 182 S N -1.644 114.042 115.700 -0.022 0.000 2.512 182 S HA 0.183 4.653 4.470 -0.000 0.000 0.216 182 S C 1.649 176.171 174.600 -0.130 0.000 1.006 182 S CA -0.380 57.789 58.200 -0.053 0.000 0.915 182 S CB 0.467 63.639 63.200 -0.045 0.000 0.824 182 S HN 0.188 nan 8.310 nan 0.000 0.497 183 R N -0.712 119.615 120.500 -0.289 0.000 2.369 183 R HA 0.344 4.684 4.340 -0.000 0.000 0.210 183 R C -0.420 175.557 176.300 -0.538 0.000 0.881 183 R CA 0.246 56.041 56.100 -0.509 0.000 1.031 183 R CB 0.488 30.274 30.300 -0.857 0.000 1.184 183 R HN 0.479 nan 8.270 nan 0.000 0.581 184 Y N 1.100 121.426 120.300 0.042 0.000 2.480 184 Y HA 0.101 4.651 4.550 0.000 0.000 0.356 184 Y C 0.260 176.217 175.900 0.095 0.000 0.922 184 Y CA -0.967 57.169 58.100 0.060 0.000 1.146 184 Y CB 0.525 38.986 38.460 0.001 0.000 1.185 184 Y HN 0.070 nan 8.280 nan 0.000 0.624 185 D N -0.826 119.662 120.400 0.147 0.000 2.384 185 D HA -0.222 4.418 4.640 -0.000 0.000 0.222 185 D C 0.413 176.496 176.300 -0.362 0.000 0.976 185 D CA 1.166 55.184 54.000 0.029 0.000 0.915 185 D CB -0.143 40.688 40.800 0.052 0.000 0.896 185 D HN 0.433 nan 8.370 nan 0.000 0.523 186 Y N -1.103 118.999 120.300 -0.331 0.000 2.682 186 Y HA 0.302 4.851 4.550 -0.001 0.000 0.251 186 Y C -0.456 175.202 175.900 -0.404 0.000 1.172 186 Y CA -1.028 56.619 58.100 -0.755 0.000 1.186 186 Y CB 0.206 38.444 38.460 -0.370 0.000 1.216 186 Y HN -0.143 nan 8.280 nan 0.000 0.540 187 F N 0.886 120.767 119.950 -0.116 0.000 2.458 187 F HA 0.827 5.354 4.527 -0.001 0.000 0.330 187 F C -0.292 175.619 175.800 0.185 0.000 1.082 187 F CA -0.846 57.195 58.000 0.068 0.000 0.995 187 F CB 0.965 40.006 39.000 0.069 0.000 1.170 187 F HN -0.125 nan 8.300 nan 0.000 0.478 188 A N 5.446 127.922 122.820 -0.574 0.000 2.606 188 A HA 0.865 5.185 4.320 -0.000 0.000 0.293 188 A C -1.476 175.738 177.584 -0.617 0.000 1.082 188 A CA -0.908 50.926 52.037 -0.340 0.000 0.685 188 A CB 2.006 20.708 19.000 -0.496 0.000 1.284 188 A HN 0.908 nan 8.150 nan 0.000 0.408 189 R N -0.854 119.634 120.500 -0.021 0.000 2.752 189 R HA 0.641 4.980 4.340 -0.000 0.000 0.271 189 R C -0.722 175.752 176.300 0.290 0.000 1.026 189 R CA 0.051 56.188 56.100 0.061 0.000 0.901 189 R CB 0.935 31.344 30.300 0.183 0.000 1.243 189 R HN 0.964 nan 8.270 nan 0.000 0.463 190 T N -2.017 112.673 114.554 0.228 0.000 3.243 190 T HA 0.320 4.670 4.350 -0.000 0.000 0.264 190 T C 0.407 175.250 174.700 0.239 0.000 1.000 190 T CA 0.037 62.270 62.100 0.222 0.000 0.901 190 T CB -0.683 68.348 68.868 0.272 0.000 1.083 190 T HN 0.496 nan 8.240 nan 0.000 0.559 191 V N -2.248 117.718 119.914 0.087 0.000 3.007 191 V HA 0.849 4.968 4.120 -0.000 0.000 0.311 191 V C -3.182 172.907 176.094 -0.010 0.000 1.120 191 V CA -2.985 59.263 62.300 -0.086 0.000 0.980 191 V CB 2.505 34.141 31.823 -0.310 0.000 1.033 191 V HN -0.029 nan 8.190 nan 0.000 0.429 192 P HA 0.416 nan 4.420 nan 0.000 0.282 192 P C -2.772 174.564 177.300 0.060 0.000 1.249 192 P CA -1.897 61.186 63.100 -0.027 0.000 0.806 192 P CB 1.073 32.729 31.700 -0.074 0.000 0.984 193 P HA -0.009 nan 4.420 nan 0.000 0.268 193 P C 0.262 177.711 177.300 0.247 0.000 1.208 193 P CA 0.223 63.396 63.100 0.122 0.000 0.777 193 P CB 0.680 32.418 31.700 0.063 0.000 0.875 194 D N 0.713 121.263 120.400 0.251 0.000 2.351 194 D HA -0.136 4.504 4.640 -0.000 0.000 0.216 194 D C 1.369 177.814 176.300 0.242 0.000 0.968 194 D CA 0.810 54.971 54.000 0.268 0.000 0.899 194 D CB -0.611 40.343 40.800 0.256 0.000 0.907 194 D HN 0.352 nan 8.370 nan 0.000 0.514 195 F N 0.645 120.684 119.950 0.150 0.000 2.250 195 F HA -0.249 4.278 4.527 0.000 0.000 0.301 195 F C 1.424 177.362 175.800 0.230 0.000 1.077 195 F CA 1.183 59.286 58.000 0.171 0.000 1.348 195 F CB -0.146 38.992 39.000 0.231 0.000 1.040 195 F HN -0.070 nan 8.300 nan 0.000 0.509 196 Y N -0.591 119.673 120.300 -0.059 0.000 2.500 196 Y HA 0.111 4.660 4.550 -0.001 0.000 0.270 196 Y C 2.392 177.864 175.900 -0.713 0.000 1.134 196 Y CA 0.526 58.476 58.100 -0.251 0.000 1.293 196 Y CB -0.828 37.742 38.460 0.184 0.000 1.063 196 Y HN 0.224 nan 8.280 nan 0.000 0.534 197 Q N -0.240 119.289 119.800 -0.451 0.000 2.226 197 Q HA 0.019 4.358 4.340 -0.000 0.000 0.199 197 Q C 2.338 178.063 176.000 -0.458 0.000 0.945 197 Q CA 0.866 56.141 55.803 -0.880 0.000 0.861 197 Q CB 0.058 28.490 28.738 -0.511 0.000 0.953 197 Q HN 0.345 nan 8.270 nan 0.000 0.490 198 A N 1.562 124.294 122.820 -0.146 0.000 1.883 198 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 198 A C 1.960 179.480 177.584 -0.107 0.000 1.186 198 A CA 1.737 53.787 52.037 0.022 0.000 0.624 198 A CB -0.428 18.589 19.000 0.028 0.000 0.822 198 A HN 0.295 nan 8.150 nan 0.000 0.444 199 K N -0.548 119.648 120.400 -0.340 0.000 2.001 199 K HA -0.172 4.148 4.320 -0.000 0.000 0.214 199 K C 2.352 178.712 176.600 -0.400 0.000 1.050 199 K CA 1.377 57.453 56.287 -0.352 0.000 0.934 199 K CB -0.465 31.756 32.500 -0.466 0.000 0.718 199 K HN 0.442 nan 8.250 nan 0.000 0.443 200 A N 1.292 123.540 122.820 -0.953 0.000 1.958 200 A HA -0.253 4.066 4.320 -0.000 0.000 0.221 200 A C 2.139 179.540 177.584 -0.305 0.000 1.178 200 A CA 2.013 53.427 52.037 -1.038 0.000 0.642 200 A CB -0.562 17.635 19.000 -1.338 0.000 0.816 200 A HN 0.262 nan 8.150 nan 0.000 0.453 201 M N -1.067 118.413 119.600 -0.201 0.000 2.081 201 M HA -0.072 4.407 4.480 -0.000 0.000 0.261 201 M C 2.655 179.083 176.300 0.213 0.000 1.075 201 M CA 1.386 56.687 55.300 0.001 0.000 1.133 201 M CB -0.519 32.057 32.600 -0.040 0.000 1.330 201 M HN 0.446 nan 8.290 nan 0.000 0.414 202 A N 0.470 123.485 122.820 0.324 0.000 1.917 202 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 202 A C 1.894 179.629 177.584 0.252 0.000 1.182 202 A CA 1.875 54.124 52.037 0.354 0.000 0.633 202 A CB -0.890 18.190 19.000 0.133 0.000 0.819 202 A HN 0.562 nan 8.150 nan 0.000 0.448 203 E N -0.640 119.670 120.200 0.184 0.000 2.333 203 E HA -0.119 4.231 4.350 -0.000 0.000 0.198 203 E C 1.661 178.431 176.600 0.283 0.000 1.007 203 E CA 0.758 57.289 56.400 0.219 0.000 0.845 203 E CB -0.210 29.644 29.700 0.257 0.000 0.766 203 E HN 0.717 nan 8.360 nan 0.000 0.507 204 I N 0.484 121.242 120.570 0.313 0.000 2.584 204 I HA -0.173 3.997 4.170 -0.000 0.000 0.255 204 I C 2.051 178.539 176.117 0.617 0.000 1.145 204 I CA 0.614 62.176 61.300 0.437 0.000 1.462 204 I CB 0.015 38.242 38.000 0.378 0.000 1.102 204 I HN 0.137 nan 8.210 nan 0.000 0.433 205 L N -0.088 121.469 121.223 0.556 0.000 2.127 205 L HA -0.064 4.276 4.340 -0.000 0.000 0.203 205 L C 2.612 179.718 176.870 0.394 0.000 1.080 205 L CA 0.590 55.833 54.840 0.671 0.000 0.768 205 L CB -0.649 41.775 42.059 0.609 0.000 0.924 205 L HN 0.116 nan 8.230 nan 0.000 0.444 206 R N 0.577 121.258 120.500 0.303 0.000 2.200 206 R HA -0.216 4.123 4.340 -0.000 0.000 0.234 206 R C 1.983 178.363 176.300 0.134 0.000 1.127 206 R CA 1.458 57.670 56.100 0.186 0.000 0.989 206 R CB -0.664 29.732 30.300 0.161 0.000 0.869 206 R HN 0.305 nan 8.270 nan 0.000 0.459 207 F N -1.173 118.788 119.950 0.017 0.000 2.416 207 F HA 0.155 4.682 4.527 -0.000 0.000 0.296 207 F C 0.545 176.091 175.800 -0.424 0.000 1.099 207 F CA 0.625 58.525 58.000 -0.167 0.000 1.427 207 F CB 0.156 39.060 39.000 -0.159 0.000 1.079 207 F HN -0.046 nan 8.300 nan 0.000 0.536 208 F N 1.320 121.009 119.950 -0.434 0.000 2.837 208 F HA 0.238 4.765 4.527 -0.001 0.000 0.298 208 F C 0.454 175.726 175.800 -0.880 0.000 1.161 208 F CA -0.554 56.846 58.000 -1.000 0.000 1.353 208 F CB -1.148 36.593 39.000 -2.099 0.000 0.951 208 F HN -0.126 nan 8.300 nan 0.000 0.508 209 N N -0.950 117.568 118.700 -0.303 0.000 2.654 209 N HA -0.255 4.485 4.740 -0.000 0.000 0.248 209 N C -0.776 174.765 175.510 0.052 0.000 1.116 209 N CA 0.577 53.562 53.050 -0.108 0.000 0.730 209 N CB -1.164 37.245 38.487 -0.131 0.000 1.040 209 N HN 0.351 nan 8.380 nan 0.000 0.548 210 W N 0.724 122.110 121.300 0.143 0.000 1.564 210 W HA 0.185 4.844 4.660 -0.001 0.000 0.480 210 W C 1.032 177.635 176.519 0.141 0.000 0.699 210 W CA -0.227 57.195 57.345 0.128 0.000 1.985 210 W CB -1.093 28.444 29.460 0.128 0.000 1.738 210 W HN 0.069 nan 8.180 nan 0.000 0.218 211 T N 0.034 114.780 114.554 0.319 0.000 2.995 211 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 211 T C -0.070 174.809 174.700 0.299 0.000 1.091 211 T CA 1.242 63.497 62.100 0.259 0.000 1.128 211 T CB -0.122 68.876 68.868 0.216 0.000 0.891 211 T HN 0.091 nan 8.240 nan 0.000 0.492 212 Y N 2.861 123.240 120.300 0.132 0.000 2.526 212 Y HA 0.505 5.055 4.550 -0.000 0.000 0.328 212 Y C -0.683 175.264 175.900 0.078 0.000 0.995 212 Y CA -2.083 56.063 58.100 0.077 0.000 1.304 212 Y CB 0.703 39.176 38.460 0.021 0.000 1.096 212 Y HN -0.043 nan 8.280 nan 0.000 0.499 213 V N 0.878 120.737 119.914 -0.092 0.000 3.102 213 V HA 0.770 4.890 4.120 -0.000 0.000 0.312 213 V C -0.440 175.542 176.094 -0.187 0.000 1.135 213 V CA -0.914 61.300 62.300 -0.144 0.000 1.022 213 V CB 1.826 33.647 31.823 -0.003 0.000 1.056 213 V HN 0.530 nan 8.190 nan 0.000 0.436 214 S N 1.314 116.911 115.700 -0.172 0.000 2.565 214 S HA 0.826 5.296 4.470 -0.000 0.000 0.290 214 S C 0.015 174.584 174.600 -0.052 0.000 1.150 214 S CA -0.139 57.984 58.200 -0.127 0.000 1.058 214 S CB 1.555 64.671 63.200 -0.141 0.000 1.032 214 S HN 1.309 nan 8.310 nan 0.000 0.510 215 T N -0.873 113.678 114.554 -0.005 0.000 2.863 215 T HA 0.731 5.081 4.350 -0.000 0.000 0.285 215 T C -0.851 173.860 174.700 0.018 0.000 1.009 215 T CA -0.838 61.278 62.100 0.028 0.000 0.989 215 T CB 1.413 70.351 68.868 0.116 0.000 1.004 215 T HN 0.542 nan 8.240 nan 0.000 0.455 216 V N 1.257 121.190 119.914 0.031 0.000 2.569 216 V HA 0.878 4.998 4.120 -0.000 0.000 0.301 216 V C -0.952 175.179 176.094 0.061 0.000 1.044 216 V CA -0.424 61.895 62.300 0.032 0.000 0.874 216 V CB 0.927 32.769 31.823 0.031 0.000 1.002 216 V HN 1.540 nan 8.190 nan 0.000 0.424 217 A N 4.460 127.310 122.820 0.051 0.000 2.371 217 A HA 0.840 5.160 4.320 -0.000 0.000 0.311 217 A C 0.113 177.734 177.584 0.062 0.000 1.068 217 A CA -0.508 51.578 52.037 0.083 0.000 0.744 217 A CB 1.779 20.817 19.000 0.065 0.000 1.239 217 A HN 1.123 nan 8.150 nan 0.000 0.435 218 S N 0.945 116.708 115.700 0.106 0.000 2.558 218 S HA 0.055 4.525 4.470 -0.000 0.000 0.287 218 S C 0.463 175.094 174.600 0.053 0.000 1.321 218 S CA 0.168 58.421 58.200 0.088 0.000 1.048 218 S CB 0.319 63.611 63.200 0.153 0.000 0.844 218 S HN 0.748 nan 8.310 nan 0.000 0.512 219 E N 0.472 120.684 120.200 0.019 0.000 2.373 219 E HA 0.464 4.814 4.350 -0.000 0.000 0.263 219 E C 0.333 176.946 176.600 0.022 0.000 1.073 219 E CA 0.270 56.672 56.400 0.005 0.000 0.894 219 E CB 0.510 30.201 29.700 -0.015 0.000 1.008 219 E HN 0.862 nan 8.360 nan 0.000 0.420 220 G N 2.726 111.538 108.800 0.019 0.000 2.742 220 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 220 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 220 G C 0.158 175.090 174.900 0.053 0.000 1.220 220 G CA -0.274 44.845 45.100 0.032 0.000 0.783 220 G HN 0.697 nan 8.290 nan 0.000 0.646 221 D N -0.250 120.178 120.400 0.046 0.000 2.276 221 D HA -0.255 4.385 4.640 -0.000 0.000 0.200 221 D C 1.630 177.974 176.300 0.075 0.000 1.004 221 D CA 2.391 56.416 54.000 0.041 0.000 0.898 221 D CB 0.184 41.001 40.800 0.028 0.000 0.906 221 D HN 0.526 nan 8.370 nan 0.000 0.457 222 Y N 1.248 121.570 120.300 0.036 0.000 2.114 222 Y HA -0.034 4.515 4.550 -0.001 0.000 0.284 222 Y C 2.533 178.521 175.900 0.146 0.000 1.119 222 Y CA 2.070 60.227 58.100 0.094 0.000 1.108 222 Y CB -0.762 37.772 38.460 0.122 0.000 0.995 222 Y HN -0.107 nan 8.280 nan 0.000 0.491 223 G N -0.228 108.573 108.800 0.001 0.000 2.421 223 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 223 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 223 G C 1.442 176.268 174.900 -0.123 0.000 1.171 223 G CA 0.991 46.071 45.100 -0.032 0.000 0.775 223 G HN 0.519 nan 8.290 nan 0.000 0.543 224 E N 0.062 120.217 120.200 -0.075 0.000 2.007 224 E HA -0.193 4.156 4.350 -0.000 0.000 0.203 224 E C 2.941 179.441 176.600 -0.166 0.000 1.020 224 E CA 2.024 58.369 56.400 -0.093 0.000 0.845 224 E CB -0.558 29.114 29.700 -0.046 0.000 0.779 224 E HN 0.537 nan 8.360 nan 0.000 0.466 225 T N -1.178 113.286 114.554 -0.150 0.000 2.737 225 T HA -0.167 4.182 4.350 -0.000 0.000 0.269 225 T C 2.056 176.572 174.700 -0.307 0.000 1.040 225 T CA 1.391 63.393 62.100 -0.162 0.000 1.142 225 T CB -0.929 67.882 68.868 -0.095 0.000 0.861 225 T HN 0.271 nan 8.240 nan 0.000 0.456 226 G N 0.728 109.221 108.800 -0.511 0.000 2.443 226 G HA2 -0.026 3.933 3.960 -0.000 0.000 0.219 226 G HA3 -0.026 3.933 3.960 -0.000 0.000 0.219 226 G C 1.494 175.408 174.900 -1.644 0.000 1.131 226 G CA 0.497 44.909 45.100 -1.148 0.000 0.775 226 G HN 0.458 nan 8.290 nan 0.000 0.547 227 I N 0.649 120.682 120.570 -0.895 0.000 2.585 227 I HA 0.081 4.250 4.170 -0.000 0.000 0.254 227 I C 2.378 178.361 176.117 -0.224 0.000 1.129 227 I CA 0.586 61.588 61.300 -0.497 0.000 1.455 227 I CB -0.562 37.325 38.000 -0.187 0.000 1.111 227 I HN 0.268 nan 8.210 nan 0.000 0.433 228 E N 0.678 120.755 120.200 -0.204 0.000 2.209 228 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 228 E C 2.163 178.706 176.600 -0.094 0.000 0.993 228 E CA 1.229 57.562 56.400 -0.111 0.000 0.819 228 E CB 0.045 29.690 29.700 -0.093 0.000 0.745 228 E HN 0.485 nan 8.360 nan 0.000 0.477 229 A N 0.849 123.582 122.820 -0.144 0.000 1.872 229 A HA -0.144 4.176 4.320 -0.000 0.000 0.214 229 A C 1.918 179.479 177.584 -0.038 0.000 1.187 229 A CA 0.827 52.829 52.037 -0.058 0.000 0.614 229 A CB -0.599 18.353 19.000 -0.080 0.000 0.826 229 A HN 0.337 nan 8.150 nan 0.000 0.442 230 F N 1.273 121.079 119.950 -0.241 0.000 2.146 230 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 230 F C 2.104 177.856 175.800 -0.081 0.000 1.096 230 F CA 1.947 59.865 58.000 -0.137 0.000 1.275 230 F CB -0.379 38.559 39.000 -0.104 0.000 1.008 230 F HN 0.374 nan 8.300 nan 0.000 0.480 231 E N 0.068 120.183 120.200 -0.143 0.000 2.065 231 E HA -0.330 4.020 4.350 -0.000 0.000 0.201 231 E C 2.182 178.639 176.600 -0.238 0.000 1.016 231 E CA 2.025 58.297 56.400 -0.215 0.000 0.818 231 E CB -0.418 29.234 29.700 -0.079 0.000 0.749 231 E HN 0.618 nan 8.360 nan 0.000 0.453 232 Q N 0.384 120.097 119.800 -0.144 0.000 1.975 232 Q HA -0.183 4.157 4.340 -0.000 0.000 0.205 232 Q C 2.180 178.098 176.000 -0.138 0.000 0.990 232 Q CA 1.151 56.894 55.803 -0.099 0.000 0.845 232 Q CB -0.069 28.654 28.738 -0.025 0.000 0.913 232 Q HN 0.185 nan 8.270 nan 0.000 0.420 233 E N 0.338 120.444 120.200 -0.157 0.000 2.273 233 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 233 E C 1.710 178.170 176.600 -0.234 0.000 1.002 233 E CA 1.029 57.331 56.400 -0.163 0.000 0.828 233 E CB -0.192 29.418 29.700 -0.150 0.000 0.747 233 E HN 0.378 nan 8.360 nan 0.000 0.491 234 A N 1.326 123.891 122.820 -0.423 0.000 1.872 234 A HA -0.135 4.185 4.320 -0.000 0.000 0.214 234 A C 2.202 179.658 177.584 -0.213 0.000 1.187 234 A CA 1.087 52.835 52.037 -0.482 0.000 0.614 234 A CB -0.307 18.197 19.000 -0.827 0.000 0.826 234 A HN 0.115 nan 8.150 nan 0.000 0.442 235 R N -0.098 120.303 120.500 -0.165 0.000 2.080 235 R HA -0.072 4.268 4.340 -0.000 0.000 0.236 235 R C 1.993 178.264 176.300 -0.049 0.000 1.137 235 R CA 1.585 57.638 56.100 -0.079 0.000 0.943 235 R CB -0.740 29.524 30.300 -0.061 0.000 0.846 235 R HN 0.491 nan 8.270 nan 0.000 0.431 236 L N 0.364 121.554 121.223 -0.054 0.000 2.263 236 L HA -0.191 4.149 4.340 -0.000 0.000 0.216 236 L C 1.540 178.402 176.870 -0.012 0.000 1.111 236 L CA 1.417 56.241 54.840 -0.028 0.000 0.773 236 L CB -0.383 41.659 42.059 -0.028 0.000 0.906 236 L HN 0.182 nan 8.230 nan 0.000 0.439 237 R N -0.124 120.367 120.500 -0.015 0.000 2.552 237 R HA 0.158 4.498 4.340 -0.000 0.000 0.314 237 R C -0.272 176.047 176.300 0.032 0.000 1.041 237 R CA -0.240 55.870 56.100 0.016 0.000 1.076 237 R CB 0.216 30.535 30.300 0.031 0.000 1.290 237 R HN 0.198 nan 8.270 nan 0.000 0.563 238 N N 1.327 120.042 118.700 0.024 0.000 2.641 238 N HA -0.194 4.546 4.740 -0.000 0.000 0.267 238 N C -1.084 174.468 175.510 0.070 0.000 1.087 238 N CA 1.090 54.167 53.050 0.045 0.000 0.731 238 N CB -0.796 37.725 38.487 0.058 0.000 0.886 238 N HN 0.351 nan 8.380 nan 0.000 0.547 239 I N 0.526 121.125 120.570 0.048 0.000 2.468 239 I HA 0.224 4.394 4.170 -0.000 0.000 0.285 239 I C 0.166 176.323 176.117 0.065 0.000 1.039 239 I CA -0.669 60.678 61.300 0.078 0.000 1.074 239 I CB 1.718 39.750 38.000 0.053 0.000 1.228 239 I HN 0.089 nan 8.210 nan 0.000 0.436 240 c N 6.736 125.421 118.600 0.141 0.000 2.369 240 c HA 0.468 5.037 4.570 -0.000 0.000 0.358 240 c C 0.612 174.798 174.090 0.160 0.000 1.274 240 c CA -0.548 55.879 56.329 0.163 0.000 1.935 240 c CB 0.149 42.801 42.510 0.237 0.000 2.431 240 c HN 0.548 nan 8.230 nan 0.000 0.545 241 I N 3.654 124.274 120.570 0.083 0.000 2.301 241 I HA 0.203 4.373 4.170 -0.000 0.000 0.292 241 I C 1.312 177.419 176.117 -0.016 0.000 1.046 241 I CA -0.054 61.258 61.300 0.020 0.000 1.282 241 I CB 0.905 38.923 38.000 0.029 0.000 1.409 241 I HN 0.947 nan 8.210 nan 0.000 0.484 242 A N 5.227 127.897 122.820 -0.249 0.000 1.873 242 A HA -0.144 4.176 4.320 -0.000 0.000 0.211 242 A C 1.220 178.756 177.584 -0.080 0.000 1.218 242 A CA 1.601 53.440 52.037 -0.330 0.000 0.659 242 A CB -0.365 18.166 19.000 -0.782 0.000 0.853 242 A HN 0.565 nan 8.150 nan 0.000 0.466 243 T N -1.019 113.478 114.554 -0.095 0.000 2.797 243 T HA 0.562 4.912 4.350 -0.000 0.000 0.279 243 T C -0.582 174.102 174.700 -0.025 0.000 0.991 243 T CA 0.010 62.091 62.100 -0.032 0.000 0.979 243 T CB 1.009 69.865 68.868 -0.021 0.000 0.943 243 T HN 0.933 nan 8.240 nan 0.000 0.444 244 A N 5.082 127.898 122.820 -0.007 0.000 2.621 244 A HA 0.565 4.885 4.320 -0.000 0.000 0.329 244 A C 0.233 177.813 177.584 -0.006 0.000 1.458 244 A CA -0.557 51.481 52.037 0.002 0.000 1.052 244 A CB 0.025 19.030 19.000 0.008 0.000 1.142 244 A HN 0.750 nan 8.150 nan 0.000 0.523 245 E N 1.483 121.677 120.200 -0.010 0.000 2.283 245 E HA 0.504 4.854 4.350 -0.000 0.000 0.271 245 E C -0.205 176.383 176.600 -0.021 0.000 1.031 245 E CA -0.237 56.151 56.400 -0.021 0.000 0.868 245 E CB 1.614 31.298 29.700 -0.027 0.000 1.094 245 E HN 0.688 nan 8.360 nan 0.000 0.401 246 K N -0.691 119.683 120.400 -0.043 0.000 2.589 246 K HA 0.364 4.684 4.320 -0.000 0.000 0.253 246 K C -0.386 176.157 176.600 -0.095 0.000 0.974 246 K CA -0.739 55.520 56.287 -0.047 0.000 0.835 246 K CB 0.898 33.380 32.500 -0.031 0.000 1.272 246 K HN 0.267 nan 8.250 nan 0.000 0.444 247 V N 0.262 120.099 119.914 -0.129 0.000 3.665 247 V HA 0.934 5.054 4.120 -0.000 0.000 0.279 247 V C 0.387 176.396 176.094 -0.140 0.000 1.000 247 V CA 0.670 62.826 62.300 -0.239 0.000 0.935 247 V CB 0.774 32.362 31.823 -0.391 0.000 1.240 247 V HN 1.043 nan 8.190 nan 0.000 0.418 248 G N -0.339 108.377 108.800 -0.140 0.000 2.694 248 G HA2 0.463 4.423 3.960 -0.000 0.000 0.246 248 G HA3 0.463 4.423 3.960 -0.000 0.000 0.246 248 G C -1.071 173.816 174.900 -0.022 0.000 1.205 248 G CA -1.269 43.794 45.100 -0.061 0.000 0.891 248 G HN 0.820 nan 8.290 nan 0.000 0.515 249 R N 0.158 120.648 120.500 -0.018 0.000 2.500 249 R HA 0.507 4.846 4.340 -0.000 0.000 0.275 249 R C 0.941 177.244 176.300 0.005 0.000 1.051 249 R CA 0.515 56.611 56.100 -0.006 0.000 1.088 249 R CB 1.102 31.396 30.300 -0.011 0.000 1.063 249 R HN 0.838 nan 8.270 nan 0.000 0.511 250 S N 0.909 116.615 115.700 0.010 0.000 3.295 250 S HA -0.205 4.265 4.470 -0.000 0.000 0.353 250 S C -0.387 174.234 174.600 0.035 0.000 1.155 250 S CA 0.797 59.006 58.200 0.015 0.000 0.996 250 S CB -1.286 61.917 63.200 0.006 0.000 0.932 250 S HN 0.703 nan 8.310 nan 0.000 0.556 251 N N 0.575 119.314 118.700 0.065 0.000 2.513 251 N HA 0.555 5.295 4.740 -0.000 0.000 0.268 251 N C 0.202 175.821 175.510 0.183 0.000 1.180 251 N CA 0.191 53.306 53.050 0.107 0.000 0.948 251 N CB 0.519 39.060 38.487 0.090 0.000 1.083 251 N HN 0.320 nan 8.380 nan 0.000 0.455 252 I N 0.504 121.167 120.570 0.155 0.000 3.709 252 I HA 0.387 4.557 4.170 -0.000 0.000 0.274 252 I C 1.787 178.029 176.117 0.208 0.000 1.240 252 I CA -0.721 60.654 61.300 0.126 0.000 1.076 252 I CB 0.459 38.496 38.000 0.061 0.000 1.389 252 I HN 0.373 nan 8.210 nan 0.000 0.529 253 R N 0.581 121.144 120.500 0.106 0.000 2.080 253 R HA -0.139 4.200 4.340 -0.000 0.000 0.236 253 R C 1.827 178.212 176.300 0.143 0.000 1.137 253 R CA 1.597 57.761 56.100 0.108 0.000 0.943 253 R CB -0.546 29.776 30.300 0.038 0.000 0.846 253 R HN 0.439 nan 8.270 nan 0.000 0.431 254 K N 0.164 120.618 120.400 0.089 0.000 2.127 254 K HA -0.156 4.163 4.320 -0.000 0.000 0.208 254 K C 2.252 178.883 176.600 0.051 0.000 1.047 254 K CA 1.582 57.907 56.287 0.063 0.000 0.927 254 K CB -0.209 32.314 32.500 0.039 0.000 0.716 254 K HN 0.036 nan 8.250 nan 0.000 0.450 255 S N -0.632 115.096 115.700 0.046 0.000 2.470 255 S HA -0.017 4.452 4.470 -0.000 0.000 0.225 255 S C 1.530 176.049 174.600 -0.135 0.000 1.006 255 S CA 0.452 58.620 58.200 -0.053 0.000 0.934 255 S CB -0.018 63.120 63.200 -0.104 0.000 0.778 255 S HN 0.273 nan 8.310 nan 0.000 0.517 256 Y N 1.696 121.992 120.300 -0.008 0.000 2.269 256 Y HA 0.042 4.592 4.550 -0.000 0.000 0.294 256 Y C 2.433 178.337 175.900 0.007 0.000 1.120 256 Y CA 1.095 59.188 58.100 -0.011 0.000 1.159 256 Y CB -0.218 38.225 38.460 -0.029 0.000 1.024 256 Y HN 0.225 nan 8.280 nan 0.000 0.532 257 D N -0.754 119.740 120.400 0.157 0.000 2.117 257 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 257 D C 2.323 178.668 176.300 0.075 0.000 0.987 257 D CA 1.631 55.697 54.000 0.110 0.000 0.829 257 D CB -0.402 40.450 40.800 0.088 0.000 0.961 257 D HN 0.234 nan 8.370 nan 0.000 0.460 258 S N 0.261 115.987 115.700 0.044 0.000 2.380 258 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 258 S C 2.182 176.789 174.600 0.012 0.000 1.043 258 S CA 1.318 59.529 58.200 0.019 0.000 1.038 258 S CB -0.268 62.928 63.200 -0.007 0.000 0.872 258 S HN 0.055 nan 8.310 nan 0.000 0.456 259 V N 2.216 122.124 119.914 -0.010 0.000 2.427 259 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 259 V C 2.417 178.530 176.094 0.031 0.000 1.051 259 V CA 1.411 63.701 62.300 -0.017 0.000 1.048 259 V CB -0.573 31.209 31.823 -0.068 0.000 0.666 259 V HN 0.503 nan 8.190 nan 0.000 0.456 260 I N 0.017 120.633 120.570 0.077 0.000 2.202 260 I HA -0.168 4.001 4.170 -0.000 0.000 0.242 260 I C 2.648 178.854 176.117 0.149 0.000 1.091 260 I CA 1.506 62.886 61.300 0.134 0.000 1.368 260 I CB -1.237 36.872 38.000 0.182 0.000 1.058 260 I HN 0.333 nan 8.210 nan 0.000 0.410 261 R N 0.992 121.557 120.500 0.108 0.000 2.122 261 R HA -0.225 4.114 4.340 -0.000 0.000 0.236 261 R C 2.056 178.410 176.300 0.090 0.000 1.129 261 R CA 1.827 57.983 56.100 0.093 0.000 0.925 261 R CB -0.590 29.746 30.300 0.061 0.000 0.850 261 R HN 0.484 nan 8.270 nan 0.000 0.431 262 E N 0.647 120.884 120.200 0.061 0.000 2.267 262 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 262 E C 1.978 178.615 176.600 0.061 0.000 0.998 262 E CA 0.805 57.233 56.400 0.047 0.000 0.830 262 E CB -0.124 29.588 29.700 0.021 0.000 0.751 262 E HN 0.379 nan 8.360 nan 0.000 0.491 263 L N 0.192 121.469 121.223 0.090 0.000 2.395 263 L HA -0.070 4.270 4.340 -0.000 0.000 0.218 263 L C 2.028 179.070 176.870 0.286 0.000 1.130 263 L CA 0.372 55.283 54.840 0.119 0.000 0.826 263 L CB 0.047 42.077 42.059 -0.048 0.000 0.941 263 L HN 0.151 nan 8.230 nan 0.000 0.451 264 L N -1.360 120.004 121.223 0.234 0.000 2.416 264 L HA -0.032 4.308 4.340 -0.000 0.000 0.216 264 L C 2.075 178.992 176.870 0.079 0.000 1.098 264 L CA 0.353 55.288 54.840 0.159 0.000 0.840 264 L CB -0.151 41.991 42.059 0.138 0.000 0.981 264 L HN 0.223 nan 8.230 nan 0.000 0.462 265 Q N 0.497 120.341 119.800 0.074 0.000 2.515 265 Q HA -0.034 4.306 4.340 -0.000 0.000 0.212 265 Q C 0.087 176.119 176.000 0.054 0.000 0.970 265 Q CA 0.666 56.500 55.803 0.051 0.000 0.941 265 Q CB 0.257 29.021 28.738 0.044 0.000 0.998 265 Q HN 0.186 nan 8.270 nan 0.000 0.518 266 K N 0.495 120.933 120.400 0.063 0.000 3.309 266 K HA 0.166 4.486 4.320 -0.000 0.000 0.187 266 K C -2.265 174.375 176.600 0.066 0.000 1.085 266 K CA -1.159 55.174 56.287 0.077 0.000 0.867 266 K CB 1.151 33.676 32.500 0.043 0.000 0.846 266 K HN -0.016 nan 8.250 nan 0.000 0.522 267 P HA -0.135 nan 4.420 nan 0.000 0.234 267 P C 0.575 177.872 177.300 -0.005 0.000 1.162 267 P CA 0.739 63.829 63.100 -0.018 0.000 0.759 267 P CB 0.374 32.051 31.700 -0.039 0.000 0.813 268 N N 0.255 119.001 118.700 0.077 0.000 2.333 268 N HA 0.004 4.744 4.740 -0.000 0.000 0.178 268 N C 0.656 176.248 175.510 0.137 0.000 1.018 268 N CA 0.339 53.460 53.050 0.118 0.000 0.882 268 N CB -0.026 38.579 38.487 0.197 0.000 0.984 268 N HN 0.082 nan 8.380 nan 0.000 0.434 269 A N 0.997 123.861 122.820 0.074 0.000 2.415 269 A HA 0.284 4.604 4.320 -0.000 0.000 0.309 269 A C 1.044 178.593 177.584 -0.058 0.000 1.356 269 A CA -0.269 51.731 52.037 -0.062 0.000 0.998 269 A CB 0.410 19.204 19.000 -0.344 0.000 1.145 269 A HN 0.046 nan 8.150 nan 0.000 0.545 270 R N 1.925 122.369 120.500 -0.093 0.000 2.297 270 R HA 0.131 4.471 4.340 -0.000 0.000 0.197 270 R C -0.233 175.945 176.300 -0.204 0.000 0.943 270 R CA 0.664 56.673 56.100 -0.150 0.000 1.038 270 R CB -0.022 30.179 30.300 -0.164 0.000 0.957 270 R HN 0.421 nan 8.270 nan 0.000 0.484 271 V N 1.657 121.393 119.914 -0.296 0.000 2.350 271 V HA 0.329 4.448 4.120 -0.000 0.000 0.276 271 V C -0.545 175.361 176.094 -0.313 0.000 1.028 271 V CA -0.869 61.157 62.300 -0.456 0.000 0.860 271 V CB 1.589 32.943 31.823 -0.783 0.000 0.990 271 V HN -0.180 nan 8.190 nan 0.000 0.453 272 V N 5.882 125.583 119.914 -0.356 0.000 2.398 272 V HA 0.403 4.523 4.120 -0.000 0.000 0.286 272 V C 0.096 176.101 176.094 -0.148 0.000 1.026 272 V CA -0.684 61.447 62.300 -0.280 0.000 0.868 272 V CB 1.849 33.382 31.823 -0.483 0.000 0.982 272 V HN 0.573 nan 8.190 nan 0.000 0.443 273 V N 6.745 126.586 119.914 -0.121 0.000 2.498 273 V HA 0.405 4.524 4.120 -0.000 0.000 0.279 273 V C -0.069 175.986 176.094 -0.064 0.000 1.048 273 V CA -0.231 61.965 62.300 -0.174 0.000 0.967 273 V CB 1.390 32.974 31.823 -0.397 0.000 0.988 273 V HN 0.625 nan 8.190 nan 0.000 0.473 274 L N 5.564 126.758 121.223 -0.048 0.000 2.349 274 L HA 0.515 4.855 4.340 -0.000 0.000 0.278 274 L C -0.879 175.972 176.870 -0.031 0.000 0.996 274 L CA -0.206 54.656 54.840 0.037 0.000 0.825 274 L CB 1.684 43.822 42.059 0.132 0.000 1.243 274 L HN 0.540 nan 8.230 nan 0.000 0.412 275 F N 4.372 124.297 119.950 -0.041 0.000 2.471 275 F HA 0.497 5.024 4.527 -0.000 0.000 0.318 275 F C -0.115 175.713 175.800 0.047 0.000 1.308 275 F CA -0.215 57.751 58.000 -0.056 0.000 1.162 275 F CB 0.549 39.448 39.000 -0.168 0.000 1.383 275 F HN 0.349 nan 8.300 nan 0.000 0.552 276 M N 1.005 120.734 119.600 0.215 0.000 2.602 276 M HA 0.488 4.968 4.480 -0.000 0.000 0.312 276 M C 0.026 176.501 176.300 0.293 0.000 1.181 276 M CA -0.940 54.515 55.300 0.258 0.000 0.910 276 M CB 2.479 35.176 32.600 0.161 0.000 1.723 276 M HN 0.122 nan 8.290 nan 0.000 0.459 277 R N 0.164 120.806 120.500 0.236 0.000 2.811 277 R HA 0.033 4.373 4.340 -0.000 0.000 0.265 277 R C 1.281 177.629 176.300 0.081 0.000 1.026 277 R CA 0.150 56.315 56.100 0.108 0.000 1.142 277 R CB 0.401 30.681 30.300 -0.034 0.000 1.027 277 R HN 0.822 nan 8.270 nan 0.000 0.465 278 S N 1.192 116.956 115.700 0.106 0.000 2.368 278 S HA -0.259 4.211 4.470 -0.000 0.000 0.226 278 S C 1.359 175.942 174.600 -0.028 0.000 1.044 278 S CA 2.321 60.544 58.200 0.038 0.000 1.062 278 S CB -0.318 62.918 63.200 0.058 0.000 0.931 278 S HN 0.784 nan 8.310 nan 0.000 0.440 279 D N 0.844 121.239 120.400 -0.009 0.000 2.078 279 D HA -0.139 4.501 4.640 -0.000 0.000 0.193 279 D C 1.393 177.642 176.300 -0.085 0.000 0.990 279 D CA 1.649 55.607 54.000 -0.068 0.000 0.827 279 D CB -0.986 39.773 40.800 -0.068 0.000 0.975 279 D HN 0.350 nan 8.370 nan 0.000 0.451 280 D N 0.060 120.450 120.400 -0.017 0.000 2.265 280 D HA -0.104 4.536 4.640 -0.000 0.000 0.208 280 D C 1.848 178.177 176.300 0.049 0.000 0.977 280 D CA 0.930 54.982 54.000 0.087 0.000 0.871 280 D CB -0.259 40.622 40.800 0.134 0.000 0.925 280 D HN 0.233 nan 8.370 nan 0.000 0.485 281 S N -0.078 115.601 115.700 -0.034 0.000 2.461 281 S HA -0.058 4.412 4.470 -0.000 0.000 0.228 281 S C 1.808 176.213 174.600 -0.325 0.000 1.005 281 S CA 0.227 58.364 58.200 -0.105 0.000 0.942 281 S CB 0.460 63.642 63.200 -0.031 0.000 0.776 281 S HN 0.270 nan 8.310 nan 0.000 0.514 282 R N 1.254 121.560 120.500 -0.324 0.000 2.075 282 R HA 0.058 4.398 4.340 -0.000 0.000 0.220 282 R C 1.814 177.876 176.300 -0.397 0.000 1.118 282 R CA 0.794 56.651 56.100 -0.404 0.000 0.986 282 R CB -0.084 30.019 30.300 -0.328 0.000 0.884 282 R HN 0.153 nan 8.270 nan 0.000 0.439 283 E N 1.344 121.277 120.200 -0.445 0.000 2.130 283 E HA -0.231 4.118 4.350 -0.000 0.000 0.196 283 E C 1.931 178.147 176.600 -0.640 0.000 0.998 283 E CA 0.839 56.781 56.400 -0.763 0.000 0.806 283 E CB -0.241 28.593 29.700 -1.444 0.000 0.738 283 E HN 0.300 nan 8.360 nan 0.000 0.459 284 L N 1.067 122.146 121.223 -0.241 0.000 1.994 284 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 284 L C 2.162 178.933 176.870 -0.165 0.000 1.071 284 L CA 1.502 56.377 54.840 0.058 0.000 0.745 284 L CB -0.759 41.325 42.059 0.041 0.000 0.892 284 L HN 0.068 nan 8.230 nan 0.000 0.431 285 I N 0.617 120.966 120.570 -0.368 0.000 2.286 285 I HA -0.221 3.948 4.170 -0.000 0.000 0.248 285 I C 2.893 178.872 176.117 -0.230 0.000 1.115 285 I CA 1.263 62.319 61.300 -0.406 0.000 1.392 285 I CB -1.634 36.016 38.000 -0.583 0.000 1.065 285 I HN 0.252 nan 8.210 nan 0.000 0.418 286 A N 1.078 123.747 122.820 -0.251 0.000 1.865 286 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 286 A C 2.624 180.148 177.584 -0.100 0.000 1.191 286 A CA 2.303 54.226 52.037 -0.191 0.000 0.623 286 A CB -0.915 17.942 19.000 -0.239 0.000 0.826 286 A HN 0.406 nan 8.150 nan 0.000 0.444 287 A N -0.075 122.698 122.820 -0.078 0.000 1.841 287 A HA 0.088 4.407 4.320 -0.000 0.000 0.216 287 A C 2.544 180.174 177.584 0.077 0.000 1.199 287 A CA 2.623 54.676 52.037 0.026 0.000 0.621 287 A CB -1.369 17.702 19.000 0.118 0.000 0.835 287 A HN 1.342 nan 8.150 nan 0.000 0.445 288 A N -0.171 122.714 122.820 0.108 0.000 2.093 288 A HA -0.275 4.045 4.320 -0.000 0.000 0.222 288 A C 1.851 179.559 177.584 0.206 0.000 1.162 288 A CA 2.433 54.605 52.037 0.224 0.000 0.655 288 A CB -0.848 18.359 19.000 0.344 0.000 0.805 288 A HN 0.737 nan 8.150 nan 0.000 0.461 289 N N -0.614 118.154 118.700 0.112 0.000 2.305 289 N HA -0.064 4.676 4.740 -0.000 0.000 0.179 289 N C 1.753 177.322 175.510 0.099 0.000 1.019 289 N CA 0.953 54.071 53.050 0.113 0.000 0.869 289 N CB -0.277 38.230 38.487 0.034 0.000 1.000 289 N HN 0.448 nan 8.380 nan 0.000 0.431 290 R N -0.122 120.415 120.500 0.062 0.000 2.154 290 R HA -0.074 4.266 4.340 -0.000 0.000 0.248 290 R C 0.729 177.069 176.300 0.067 0.000 1.155 290 R CA 1.576 57.707 56.100 0.051 0.000 0.979 290 R CB -0.479 29.842 30.300 0.035 0.000 0.869 290 R HN 0.322 nan 8.270 nan 0.000 0.452 291 V N -1.907 118.061 119.914 0.089 0.000 2.894 291 V HA 0.217 4.337 4.120 -0.000 0.000 0.373 291 V C -0.228 175.929 176.094 0.105 0.000 1.286 291 V CA -0.617 61.737 62.300 0.090 0.000 1.331 291 V CB -0.617 31.263 31.823 0.095 0.000 1.415 291 V HN 0.269 nan 8.190 nan 0.000 0.585 292 N N 1.440 120.206 118.700 0.109 0.000 2.675 292 N HA -0.238 4.501 4.740 -0.000 0.000 0.252 292 N C 0.680 176.261 175.510 0.120 0.000 1.008 292 N CA 0.445 53.562 53.050 0.111 0.000 0.779 292 N CB -0.261 38.261 38.487 0.058 0.000 0.954 292 N HN 0.968 nan 8.380 nan 0.000 0.541 293 A N 0.433 123.364 122.820 0.185 0.000 2.388 293 A HA 0.507 4.827 4.320 -0.000 0.000 0.257 293 A C 0.417 178.158 177.584 0.261 0.000 1.095 293 A CA -0.018 52.147 52.037 0.213 0.000 0.791 293 A CB 1.184 20.427 19.000 0.406 0.000 1.029 293 A HN 0.181 nan 8.150 nan 0.000 0.489 294 S N 0.879 116.576 115.700 -0.004 0.000 2.557 294 S HA 0.853 5.323 4.470 -0.000 0.000 0.291 294 S C -1.210 173.167 174.600 -0.372 0.000 1.116 294 S CA -0.449 57.766 58.200 0.024 0.000 0.992 294 S CB 0.186 63.385 63.200 -0.001 0.000 1.028 294 S HN 0.544 nan 8.310 nan 0.000 0.484 295 F N 0.453 120.218 119.950 -0.310 0.000 2.754 295 F HA 0.474 5.001 4.527 -0.000 0.000 0.320 295 F C 0.026 175.423 175.800 -0.671 0.000 1.156 295 F CA -0.876 56.754 58.000 -0.616 0.000 0.950 295 F CB 1.396 39.747 39.000 -1.081 0.000 1.388 295 F HN 0.325 nan 8.300 nan 0.000 0.485 296 T N 0.526 114.840 114.554 -0.399 0.000 2.832 296 T HA 0.229 4.578 4.350 -0.000 0.000 0.313 296 T C -1.076 173.384 174.700 -0.400 0.000 1.035 296 T CA -0.344 61.569 62.100 -0.312 0.000 0.950 296 T CB -0.447 68.230 68.868 -0.318 0.000 0.984 296 T HN 0.293 nan 8.240 nan 0.000 0.486 297 W N 2.335 123.591 121.300 -0.073 0.000 2.356 297 W HA 0.449 5.109 4.660 -0.001 0.000 0.311 297 W C -0.108 176.222 176.519 -0.314 0.000 1.328 297 W CA -0.811 56.433 57.345 -0.169 0.000 1.251 297 W CB 0.473 29.869 29.460 -0.107 0.000 1.280 297 W HN 0.255 nan 8.180 nan 0.000 0.524 298 V N 4.620 124.483 119.914 -0.084 0.000 2.304 298 V HA 0.668 4.788 4.120 -0.000 0.000 0.278 298 V C 0.077 176.047 176.094 -0.206 0.000 1.018 298 V CA -0.771 61.422 62.300 -0.178 0.000 0.814 298 V CB 0.475 32.195 31.823 -0.172 0.000 1.021 298 V HN 0.600 nan 8.190 nan 0.000 0.440 299 A N 4.179 126.800 122.820 -0.331 0.000 2.355 299 A HA 0.882 5.202 4.320 -0.000 0.000 0.324 299 A C 0.318 177.705 177.584 -0.329 0.000 1.117 299 A CA -0.348 51.503 52.037 -0.309 0.000 0.785 299 A CB 1.613 20.407 19.000 -0.343 0.000 1.254 299 A HN 0.890 nan 8.150 nan 0.000 0.453 300 S N 0.780 116.249 115.700 -0.384 0.000 2.617 300 S HA 0.123 4.593 4.470 -0.000 0.000 0.259 300 S C 0.919 175.383 174.600 -0.225 0.000 1.301 300 S CA 0.314 58.216 58.200 -0.497 0.000 0.984 300 S CB 0.433 62.986 63.200 -1.079 0.000 0.954 300 S HN 0.836 nan 8.310 nan 0.000 0.572 301 D N 0.686 120.994 120.400 -0.153 0.000 2.203 301 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 301 D C 1.954 178.232 176.300 -0.037 0.000 0.997 301 D CA 1.583 55.536 54.000 -0.078 0.000 0.863 301 D CB -1.442 39.337 40.800 -0.034 0.000 0.928 301 D HN 0.735 nan 8.370 nan 0.000 0.458 302 G N 0.485 109.283 108.800 -0.002 0.000 2.656 302 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.223 302 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.223 302 G C 1.305 176.261 174.900 0.093 0.000 1.130 302 G CA 1.243 46.352 45.100 0.014 0.000 0.758 302 G HN 0.472 nan 8.290 nan 0.000 0.608 303 W N 1.776 123.018 121.300 -0.098 0.000 2.526 303 W HA 0.273 4.933 4.660 -0.001 0.000 0.294 303 W C 1.598 178.039 176.519 -0.130 0.000 1.181 303 W CA 1.426 58.716 57.345 -0.093 0.000 1.373 303 W CB -0.669 28.746 29.460 -0.076 0.000 1.112 303 W HN 0.577 nan 8.180 nan 0.000 0.545 304 G N 1.281 110.179 108.800 0.164 0.000 2.596 304 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.295 304 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.295 304 G C 0.675 175.493 174.900 -0.138 0.000 1.240 304 G CA 1.540 46.595 45.100 -0.075 0.000 0.985 304 G HN 1.092 nan 8.290 nan 0.000 0.555 305 A N -0.246 122.308 122.820 -0.444 0.000 2.630 305 A HA 0.558 4.877 4.320 -0.000 0.000 0.290 305 A C 0.838 177.782 177.584 -1.066 0.000 1.267 305 A CA 0.577 51.981 52.037 -1.054 0.000 0.950 305 A CB -0.007 18.474 19.000 -0.864 0.000 1.144 305 A HN 0.569 nan 8.150 nan 0.000 0.527 306 Q N 0.746 120.294 119.800 -0.420 0.000 2.271 306 Q HA 0.081 4.420 4.340 -0.000 0.000 0.273 306 Q C -0.024 175.961 176.000 -0.025 0.000 1.051 306 Q CA 0.170 55.854 55.803 -0.199 0.000 0.901 306 Q CB 0.652 29.328 28.738 -0.103 0.000 1.174 306 Q HN 0.545 nan 8.270 nan 0.000 0.385 307 E N 0.917 121.177 120.200 0.101 0.000 2.502 307 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 307 E C 1.315 178.072 176.600 0.262 0.000 1.062 307 E CA 0.527 57.175 56.400 0.415 0.000 0.867 307 E CB 0.303 30.240 29.700 0.394 0.000 0.888 307 E HN 0.567 nan 8.360 nan 0.000 0.510 308 S N -0.018 115.729 115.700 0.078 0.000 2.593 308 S HA 0.094 4.564 4.470 -0.000 0.000 0.217 308 S C 1.708 176.241 174.600 -0.112 0.000 0.966 308 S CA -0.075 58.125 58.200 0.000 0.000 0.914 308 S CB -0.109 63.079 63.200 -0.021 0.000 0.776 308 S HN 0.154 nan 8.310 nan 0.000 0.523 309 I N 0.848 121.308 120.570 -0.182 0.000 2.628 309 I HA 0.033 4.202 4.170 -0.000 0.000 0.255 309 I C 1.789 177.636 176.117 -0.450 0.000 1.119 309 I CA 0.548 61.608 61.300 -0.400 0.000 1.448 309 I CB 0.011 37.587 38.000 -0.708 0.000 1.133 309 I HN 0.175 nan 8.210 nan 0.000 0.438 310 V N 0.618 120.321 119.914 -0.352 0.000 3.380 310 V HA -0.091 4.029 4.120 -0.000 0.000 0.268 310 V C 1.216 177.042 176.094 -0.445 0.000 1.168 310 V CA 0.419 62.488 62.300 -0.385 0.000 1.156 310 V CB -1.046 30.622 31.823 -0.258 0.000 0.785 310 V HN 0.273 nan 8.190 nan 0.000 0.487 311 K N 1.641 121.833 120.400 -0.346 0.000 2.395 311 K HA 0.281 4.600 4.320 -0.000 0.000 0.283 311 K C 1.116 177.566 176.600 -0.250 0.000 1.068 311 K CA 0.966 57.080 56.287 -0.288 0.000 1.039 311 K CB -0.213 32.227 32.500 -0.100 0.000 0.924 311 K HN 0.446 nan 8.250 nan 0.000 0.468 312 G N 2.501 111.147 108.800 -0.257 0.000 2.163 312 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.213 312 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.213 312 G C 0.024 174.770 174.900 -0.258 0.000 0.991 312 G CA 0.095 45.074 45.100 -0.203 0.000 0.653 312 G HN 0.581 nan 8.290 nan 0.000 0.518 313 S N -0.339 115.144 115.700 -0.360 0.000 2.885 313 S HA 0.242 4.711 4.470 -0.000 0.000 0.238 313 S C 0.860 175.170 174.600 -0.484 0.000 0.766 313 S CA 0.250 58.187 58.200 -0.439 0.000 1.089 313 S CB 0.463 63.488 63.200 -0.293 0.000 1.396 313 S HN 0.226 nan 8.310 nan 0.000 0.509 314 E N 1.792 121.693 120.200 -0.500 0.000 2.301 314 E HA -0.247 4.103 4.350 -0.000 0.000 0.202 314 E C 1.465 178.002 176.600 -0.106 0.000 1.017 314 E CA 2.234 58.402 56.400 -0.386 0.000 0.831 314 E CB -0.323 29.180 29.700 -0.328 0.000 0.742 314 E HN 0.918 nan 8.360 nan 0.000 0.491 315 H N -3.058 116.039 119.070 0.044 0.000 2.460 315 H HA 0.224 4.780 4.556 -0.000 0.000 0.297 315 H C 1.792 177.241 175.328 0.203 0.000 1.023 315 H CA 0.347 56.471 56.048 0.126 0.000 1.321 315 H CB -0.621 29.171 29.762 0.049 0.000 1.455 315 H HN -0.016 nan 8.280 nan 0.000 0.539 316 V N 0.837 120.946 119.914 0.325 0.000 2.828 316 V HA -0.115 4.005 4.120 -0.000 0.000 0.260 316 V C 2.163 178.532 176.094 0.459 0.000 1.101 316 V CA 1.707 64.242 62.300 0.392 0.000 1.123 316 V CB -0.916 31.064 31.823 0.263 0.000 0.704 316 V HN 0.773 nan 8.190 nan 0.000 0.493 317 A N -2.221 120.789 122.820 0.317 0.000 2.382 317 A HA 0.246 4.565 4.320 -0.000 0.000 0.228 317 A C 0.788 178.621 177.584 0.414 0.000 1.217 317 A CA -0.378 51.897 52.037 0.395 0.000 0.923 317 A CB -0.170 18.923 19.000 0.155 0.000 0.979 317 A HN 0.449 nan 8.150 nan 0.000 0.515 318 Y N 0.886 121.328 120.300 0.236 0.000 2.812 318 Y HA 0.234 4.784 4.550 -0.000 0.000 0.348 318 Y C 1.432 177.440 175.900 0.180 0.000 1.274 318 Y CA 1.231 59.436 58.100 0.174 0.000 1.489 318 Y CB 0.282 38.845 38.460 0.171 0.000 1.348 318 Y HN 0.581 nan 8.280 nan 0.000 0.646 319 G N 2.684 110.929 108.800 -0.925 0.000 2.379 319 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.297 319 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.297 319 G C -0.051 174.734 174.900 -0.190 0.000 1.004 319 G CA 0.389 45.136 45.100 -0.588 0.000 0.921 319 G HN 1.131 nan 8.290 nan 0.000 0.511 320 A N -0.897 121.833 122.820 -0.150 0.000 2.256 320 A HA 0.898 5.217 4.320 -0.000 0.000 0.318 320 A C 0.133 177.600 177.584 -0.196 0.000 1.103 320 A CA -0.686 51.309 52.037 -0.069 0.000 0.860 320 A CB 1.113 20.146 19.000 0.056 0.000 1.182 320 A HN 0.722 nan 8.150 nan 0.000 0.501 321 I N 1.038 121.490 120.570 -0.196 0.000 2.447 321 I HA 0.396 4.566 4.170 -0.000 0.000 0.287 321 I C -0.356 175.620 176.117 -0.237 0.000 1.023 321 I CA -0.213 60.989 61.300 -0.164 0.000 1.083 321 I CB 2.278 40.237 38.000 -0.068 0.000 1.245 321 I HN 0.799 nan 8.210 nan 0.000 0.434 322 T N 4.477 118.918 114.554 -0.190 0.000 2.893 322 T HA 0.685 5.035 4.350 -0.000 0.000 0.293 322 T C -0.604 174.040 174.700 -0.093 0.000 1.027 322 T CA -0.799 61.131 62.100 -0.284 0.000 0.988 322 T CB 1.891 70.434 68.868 -0.540 0.000 1.043 322 T HN 0.273 nan 8.240 nan 0.000 0.461 323 L N 1.473 122.617 121.223 -0.131 0.000 2.360 323 L HA 0.847 5.186 4.340 -0.000 0.000 0.271 323 L C 0.100 176.906 176.870 -0.106 0.000 1.057 323 L CA -0.721 54.093 54.840 -0.043 0.000 0.803 323 L CB 1.702 43.729 42.059 -0.053 0.000 1.207 323 L HN 0.810 nan 8.230 nan 0.000 0.445 324 E N 0.875 121.049 120.200 -0.043 0.000 2.449 324 E HA 0.495 4.845 4.350 -0.000 0.000 0.278 324 E C -1.431 175.227 176.600 0.098 0.000 0.992 324 E CA -0.640 55.707 56.400 -0.088 0.000 0.807 324 E CB 1.532 31.007 29.700 -0.376 0.000 1.350 324 E HN 0.337 nan 8.360 nan 0.000 0.462 325 L N 1.324 122.568 121.223 0.036 0.000 2.436 325 L HA 0.568 4.908 4.340 -0.000 0.000 0.265 325 L C 0.191 177.156 176.870 0.158 0.000 1.168 325 L CA -0.834 54.007 54.840 0.001 0.000 0.815 325 L CB 0.932 42.900 42.059 -0.152 0.000 1.109 325 L HN 0.669 nan 8.230 nan 0.000 0.462 326 A N 2.413 125.326 122.820 0.154 0.000 2.396 326 A HA 0.474 4.794 4.320 -0.000 0.000 0.279 326 A C 0.114 177.808 177.584 0.184 0.000 1.165 326 A CA -0.115 52.043 52.037 0.201 0.000 0.824 326 A CB -0.092 19.004 19.000 0.161 0.000 1.100 326 A HN 0.729 nan 8.150 nan 0.000 0.516 327 S N 2.484 118.299 115.700 0.192 0.000 2.537 327 S HA 0.588 5.058 4.470 -0.000 0.000 0.270 327 S C -1.025 173.707 174.600 0.220 0.000 1.142 327 S CA -0.842 57.376 58.200 0.029 0.000 0.870 327 S CB 0.803 63.991 63.200 -0.020 0.000 1.112 327 S HN 0.735 nan 8.310 nan 0.000 0.466 328 H N 2.266 121.293 119.070 -0.070 0.000 2.551 328 H HA 0.441 4.997 4.556 -0.000 0.000 0.321 328 H C -2.320 172.984 175.328 -0.039 0.000 1.028 328 H CA -2.124 53.903 56.048 -0.035 0.000 1.215 328 H CB 1.069 30.809 29.762 -0.037 0.000 1.414 328 H HN 0.528 nan 8.280 nan 0.000 0.480 329 P HA -0.145 nan 4.420 nan 0.000 0.265 329 P C -0.032 177.308 177.300 0.066 0.000 1.167 329 P CA 0.163 63.297 63.100 0.057 0.000 0.760 329 P CB 0.977 32.709 31.700 0.053 0.000 0.783 330 V N 5.716 125.664 119.914 0.057 0.000 2.322 330 V HA 0.056 4.175 4.120 -0.000 0.000 0.258 330 V C 2.109 178.260 176.094 0.096 0.000 1.074 330 V CA -0.240 62.113 62.300 0.087 0.000 0.909 330 V CB 0.254 32.117 31.823 0.067 0.000 1.090 330 V HN 0.552 nan 8.190 nan 0.000 0.486 331 R N 3.106 123.665 120.500 0.097 0.000 2.162 331 R HA -0.266 4.074 4.340 -0.000 0.000 0.245 331 R C 2.067 178.397 176.300 0.051 0.000 1.129 331 R CA 2.126 58.275 56.100 0.082 0.000 0.940 331 R CB -0.244 30.109 30.300 0.088 0.000 0.875 331 R HN 0.720 nan 8.270 nan 0.000 0.437 332 Q N -0.557 119.255 119.800 0.020 0.000 2.096 332 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 332 Q C 1.858 177.711 176.000 -0.245 0.000 0.982 332 Q CA 1.694 57.472 55.803 -0.042 0.000 0.850 332 Q CB -0.556 28.181 28.738 -0.002 0.000 0.901 332 Q HN 0.348 nan 8.270 nan 0.000 0.422 333 F N 1.565 121.127 119.950 -0.646 0.000 2.154 333 F HA -0.288 4.239 4.527 -0.000 0.000 0.301 333 F C 1.535 177.208 175.800 -0.211 0.000 1.087 333 F CA 1.597 59.114 58.000 -0.806 0.000 1.274 333 F CB -0.161 38.465 39.000 -0.623 0.000 1.009 333 F HN 0.075 nan 8.300 nan 0.000 0.485 334 D N 0.115 120.521 120.400 0.009 0.000 2.103 334 D HA -0.234 4.406 4.640 -0.000 0.000 0.190 334 D C 2.462 178.763 176.300 0.003 0.000 0.997 334 D CA 1.276 55.351 54.000 0.126 0.000 0.833 334 D CB -0.443 40.472 40.800 0.191 0.000 0.961 334 D HN 0.236 nan 8.370 nan 0.000 0.447 335 R N -0.105 120.391 120.500 -0.006 0.000 2.105 335 R HA -0.190 4.149 4.340 -0.000 0.000 0.239 335 R C 2.351 178.619 176.300 -0.052 0.000 1.135 335 R CA 0.966 57.065 56.100 -0.001 0.000 0.967 335 R CB -0.585 29.735 30.300 0.032 0.000 0.861 335 R HN 0.287 nan 8.270 nan 0.000 0.442 336 Y N 0.396 120.535 120.300 -0.269 0.000 2.114 336 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 336 Y C 1.965 177.666 175.900 -0.332 0.000 1.143 336 Y CA 1.718 59.636 58.100 -0.303 0.000 1.135 336 Y CB -0.973 37.203 38.460 -0.473 0.000 0.980 336 Y HN 0.042 nan 8.280 nan 0.000 0.499 337 F N 1.537 120.807 119.950 -1.134 0.000 2.075 337 F HA -0.200 4.326 4.527 -0.000 0.000 0.297 337 F C 2.314 177.724 175.800 -0.650 0.000 1.113 337 F CA 2.220 59.533 58.000 -1.145 0.000 1.218 337 F CB -0.836 37.394 39.000 -1.285 0.000 0.984 337 F HN 0.182 nan 8.300 nan 0.000 0.472 338 Q N -0.498 119.039 119.800 -0.438 0.000 2.443 338 Q HA -0.159 4.180 4.340 -0.000 0.000 0.213 338 Q C 2.042 177.920 176.000 -0.202 0.000 0.982 338 Q CA 1.320 56.951 55.803 -0.286 0.000 0.894 338 Q CB -0.481 28.237 28.738 -0.032 0.000 0.947 338 Q HN 0.519 nan 8.270 nan 0.000 0.480 339 S N -0.693 114.859 115.700 -0.247 0.000 2.575 339 S HA 0.122 4.591 4.470 -0.000 0.000 0.215 339 S C 0.660 175.151 174.600 -0.182 0.000 0.966 339 S CA -0.354 57.756 58.200 -0.149 0.000 0.911 339 S CB 0.059 63.202 63.200 -0.095 0.000 0.780 339 S HN 0.131 nan 8.310 nan 0.000 0.514 340 L N 3.183 124.225 121.223 -0.303 0.000 2.418 340 L HA 0.509 4.849 4.340 -0.000 0.000 0.265 340 L C 0.235 177.103 176.870 -0.003 0.000 1.143 340 L CA -0.494 54.162 54.840 -0.307 0.000 0.809 340 L CB 0.513 42.257 42.059 -0.524 0.000 1.124 340 L HN 0.535 nan 8.230 nan 0.000 0.456 341 N N 0.536 119.142 118.700 -0.156 0.000 3.171 341 N HA 0.132 4.872 4.740 -0.000 0.000 0.239 341 N C -2.805 172.397 175.510 -0.512 0.000 1.275 341 N CA -1.268 51.605 53.050 -0.294 0.000 0.920 341 N CB 1.961 40.323 38.487 -0.207 0.000 1.554 341 N HN 0.154 nan 8.380 nan 0.000 0.504 342 P HA -0.164 nan 4.420 nan 0.000 0.224 342 P C 0.384 177.211 177.300 -0.790 0.000 1.142 342 P CA 1.375 64.025 63.100 -0.750 0.000 0.778 342 P CB -0.151 30.891 31.700 -1.097 0.000 0.764 343 Y N 0.565 120.604 120.300 -0.436 0.000 2.500 343 Y HA 0.049 4.599 4.550 -0.000 0.000 0.270 343 Y C 1.939 177.672 175.900 -0.278 0.000 1.134 343 Y CA 0.661 58.584 58.100 -0.294 0.000 1.293 343 Y CB -0.524 37.819 38.460 -0.195 0.000 1.063 343 Y HN 0.155 nan 8.280 nan 0.000 0.534 344 N N -2.207 116.350 118.700 -0.238 0.000 2.145 344 N HA 0.011 4.750 4.740 -0.000 0.000 0.219 344 N C -0.366 174.976 175.510 -0.279 0.000 1.266 344 N CA 0.039 52.986 53.050 -0.173 0.000 0.902 344 N CB -0.097 38.334 38.487 -0.093 0.000 1.078 344 N HN -0.098 nan 8.380 nan 0.000 0.513 345 N N 0.840 119.238 118.700 -0.504 0.000 2.955 345 N HA 0.105 4.844 4.740 -0.000 0.000 0.242 345 N C -0.404 174.852 175.510 -0.423 0.000 1.123 345 N CA -0.067 52.679 53.050 -0.508 0.000 0.949 345 N CB -0.005 37.871 38.487 -1.019 0.000 1.214 345 N HN 0.250 nan 8.380 nan 0.000 0.504 346 H N 1.299 120.300 119.070 -0.115 0.000 2.595 346 H HA 0.083 4.639 4.556 -0.000 0.000 0.265 346 H C 1.367 176.665 175.328 -0.049 0.000 0.953 346 H CA 0.455 56.461 56.048 -0.070 0.000 1.197 346 H CB 0.916 30.644 29.762 -0.057 0.000 1.438 346 H HN 0.585 nan 8.280 nan 0.000 0.531 347 R N 0.673 121.207 120.500 0.057 0.000 2.276 347 R HA -0.012 4.328 4.340 -0.000 0.000 0.203 347 R C 0.347 176.672 176.300 0.042 0.000 1.017 347 R CA 0.389 56.514 56.100 0.042 0.000 1.010 347 R CB 0.009 30.338 30.300 0.047 0.000 0.900 347 R HN -0.092 nan 8.270 nan 0.000 0.469 348 N N 2.420 121.154 118.700 0.057 0.000 2.678 348 N HA 0.130 4.870 4.740 -0.000 0.000 0.231 348 N C -1.773 173.805 175.510 0.113 0.000 1.038 348 N CA -2.679 50.467 53.050 0.159 0.000 0.932 348 N CB 1.408 40.048 38.487 0.256 0.000 1.176 348 N HN -0.035 nan 8.380 nan 0.000 0.511 349 P HA -0.120 nan 4.420 nan 0.000 0.218 349 P C 0.809 177.968 177.300 -0.235 0.000 1.146 349 P CA 1.214 64.123 63.100 -0.318 0.000 0.813 349 P CB 0.095 31.393 31.700 -0.670 0.000 0.778 350 W N -2.199 119.191 121.300 0.151 0.000 3.003 350 W HA 0.103 4.762 4.660 -0.001 0.000 0.257 350 W C 1.954 178.596 176.519 0.205 0.000 1.308 350 W CA -0.419 57.016 57.345 0.149 0.000 1.529 350 W CB -1.167 28.363 29.460 0.118 0.000 1.115 350 W HN -0.105 nan 8.180 nan 0.000 0.659 351 F N 2.085 122.219 119.950 0.308 0.000 2.091 351 F HA -0.284 4.242 4.527 -0.000 0.000 0.299 351 F C 2.465 178.468 175.800 0.340 0.000 1.103 351 F CA 2.048 60.248 58.000 0.333 0.000 1.228 351 F CB -0.366 38.743 39.000 0.181 0.000 0.984 351 F HN -0.240 nan 8.300 nan 0.000 0.477 352 R N 0.165 120.803 120.500 0.229 0.000 2.097 352 R HA -0.207 4.132 4.340 -0.000 0.000 0.236 352 R C 2.008 178.375 176.300 0.112 0.000 1.135 352 R CA 1.890 58.057 56.100 0.113 0.000 0.934 352 R CB -1.047 29.290 30.300 0.062 0.000 0.846 352 R HN 0.375 nan 8.270 nan 0.000 0.431 353 D N 0.202 120.683 120.400 0.135 0.000 2.158 353 D HA -0.198 4.442 4.640 -0.000 0.000 0.197 353 D C 1.750 178.110 176.300 0.100 0.000 0.995 353 D CA 1.260 55.334 54.000 0.123 0.000 0.846 353 D CB -0.167 40.734 40.800 0.169 0.000 0.941 353 D HN 0.133 nan 8.370 nan 0.000 0.456 354 F N 1.070 120.995 119.950 -0.043 0.000 2.113 354 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 354 F C 2.207 177.849 175.800 -0.263 0.000 1.103 354 F CA 1.194 59.095 58.000 -0.165 0.000 1.248 354 F CB -0.601 38.253 39.000 -0.244 0.000 0.999 354 F HN 0.040 nan 8.300 nan 0.000 0.475 355 W N 1.860 122.696 121.300 -0.774 0.000 2.332 355 W HA -0.220 4.440 4.660 -0.001 0.000 0.321 355 W C 2.224 178.473 176.519 -0.449 0.000 1.219 355 W CA 2.425 59.296 57.345 -0.789 0.000 1.277 355 W CB -0.715 28.504 29.460 -0.401 0.000 1.161 355 W HN 0.191 nan 8.180 nan 0.000 0.476 356 E N -0.228 119.986 120.200 0.023 0.000 2.130 356 E HA -0.333 4.017 4.350 -0.000 0.000 0.196 356 E C 2.150 178.667 176.600 -0.137 0.000 0.998 356 E CA 1.749 58.156 56.400 0.011 0.000 0.806 356 E CB -0.471 29.258 29.700 0.048 0.000 0.738 356 E HN 0.416 nan 8.360 nan 0.000 0.459 357 Q N 0.946 120.620 119.800 -0.211 0.000 2.123 357 Q HA -0.167 4.173 4.340 -0.000 0.000 0.199 357 Q C 2.141 177.934 176.000 -0.346 0.000 0.966 357 Q CA 1.154 56.827 55.803 -0.217 0.000 0.845 357 Q CB 0.097 28.756 28.738 -0.130 0.000 0.907 357 Q HN 0.025 nan 8.270 nan 0.000 0.439 358 K N -0.381 119.624 120.400 -0.658 0.000 2.057 358 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 358 K C 1.255 177.384 176.600 -0.786 0.000 1.050 358 K CA 1.175 56.937 56.287 -0.874 0.000 0.935 358 K CB -0.027 31.521 32.500 -1.587 0.000 0.715 358 K HN 0.238 nan 8.250 nan 0.000 0.439 359 F N 0.859 120.513 119.950 -0.494 0.000 2.727 359 F HA 0.123 4.650 4.527 -0.000 0.000 0.302 359 F C 0.450 176.119 175.800 -0.220 0.000 1.097 359 F CA -0.413 57.359 58.000 -0.380 0.000 1.330 359 F CB 0.642 39.343 39.000 -0.498 0.000 1.084 359 F HN 0.037 nan 8.300 nan 0.000 0.578 360 Q N -1.552 118.205 119.800 -0.072 0.000 2.416 360 Q HA -0.221 4.118 4.340 -0.000 0.000 0.235 360 Q C 1.023 177.018 176.000 -0.009 0.000 0.773 360 Q CA 0.643 56.413 55.803 -0.054 0.000 1.286 360 Q CB -2.501 26.215 28.738 -0.037 0.000 1.556 360 Q HN 0.483 nan 8.270 nan 0.000 0.650 361 c N 0.255 118.877 118.600 0.037 0.000 2.937 361 c HA 0.308 4.878 4.570 -0.000 0.000 0.222 361 c C 1.466 175.594 174.090 0.063 0.000 1.864 361 c CA 0.842 57.222 56.329 0.085 0.000 1.620 361 c CB 0.233 42.849 42.510 0.176 0.000 1.887 361 c HN 0.676 nan 8.230 nan 0.000 0.584 362 S N -1.131 114.624 115.700 0.090 0.000 2.715 362 S HA 0.551 5.021 4.470 -0.000 0.000 0.290 362 S C -1.838 172.811 174.600 0.082 0.000 1.008 362 S CA -0.594 57.662 58.200 0.093 0.000 0.850 362 S CB 0.081 63.341 63.200 0.101 0.000 1.059 362 S HN 0.513 nan 8.310 nan 0.000 0.455 363 L N 2.847 124.113 121.223 0.071 0.000 2.669 363 L HA 0.558 4.897 4.340 -0.000 0.000 0.255 363 L C 0.802 177.694 176.870 0.037 0.000 1.123 363 L CA -0.534 54.334 54.840 0.047 0.000 0.941 363 L CB 1.011 43.087 42.059 0.030 0.000 1.552 363 L HN 0.744 nan 8.230 nan 0.000 0.394 364 Q N -0.149 119.666 119.800 0.024 0.000 2.230 364 Q HA 0.082 4.422 4.340 -0.000 0.000 0.202 364 Q C 0.539 176.549 176.000 0.016 0.000 0.963 364 Q CA 0.963 56.776 55.803 0.017 0.000 0.866 364 Q CB 0.007 28.753 28.738 0.013 0.000 0.931 364 Q HN 0.499 nan 8.270 nan 0.000 0.452 365 N N 0.992 119.701 118.700 0.017 0.000 2.623 365 N HA 0.038 4.778 4.740 -0.000 0.000 0.263 365 N C 0.145 175.672 175.510 0.029 0.000 1.218 365 N CA -0.028 53.032 53.050 0.016 0.000 0.949 365 N CB 0.432 38.926 38.487 0.011 0.000 1.270 365 N HN 0.090 nan 8.380 nan 0.000 0.507 366 K N -0.201 120.220 120.400 0.034 0.000 2.047 366 K HA 0.397 4.717 4.320 -0.000 0.000 0.244 366 K C 0.486 177.105 176.600 0.031 0.000 1.048 366 K CA -0.683 55.636 56.287 0.054 0.000 0.871 366 K CB 1.344 33.896 32.500 0.086 0.000 1.445 366 K HN -0.149 nan 8.250 nan 0.000 0.514 367 R N 0.471 120.989 120.500 0.030 0.000 1.909 367 R HA 0.241 4.581 4.340 -0.000 0.000 0.173 367 R C -0.022 176.208 176.300 -0.117 0.000 1.536 367 R CA 0.462 56.533 56.100 -0.048 0.000 1.352 367 R CB -0.646 29.607 30.300 -0.077 0.000 0.888 367 R HN 0.571 nan 8.270 nan 0.000 0.503 368 N N 1.074 119.593 118.700 -0.301 0.000 2.875 368 N HA 0.206 4.946 4.740 -0.000 0.000 0.253 368 N C -1.147 174.068 175.510 -0.491 0.000 1.296 368 N CA -0.115 52.769 53.050 -0.276 0.000 0.816 368 N CB 1.495 39.861 38.487 -0.201 0.000 1.504 368 N HN 0.313 nan 8.380 nan 0.000 0.582 369 H N -0.004 119.071 119.070 0.009 0.000 3.220 369 H HA 0.520 5.075 4.556 -0.000 0.000 0.299 369 H C 0.024 175.358 175.328 0.009 0.000 1.604 369 H CA -0.430 55.623 56.048 0.008 0.000 1.260 369 H CB 1.505 31.272 29.762 0.008 0.000 1.846 369 H HN 0.164 nan 8.280 nan 0.000 0.632 370 R N 0.902 121.511 120.500 0.180 0.000 2.758 370 R HA 0.209 4.549 4.340 -0.000 0.000 0.265 370 R C -0.485 175.854 176.300 0.066 0.000 1.016 370 R CA -0.801 55.352 56.100 0.089 0.000 1.040 370 R CB 0.798 31.138 30.300 0.065 0.000 1.152 370 R HN 0.705 nan 8.270 nan 0.000 0.503 371 Q N 0.481 120.309 119.800 0.046 0.000 2.779 371 Q HA -0.173 4.166 4.340 -0.000 0.000 0.160 371 Q C -0.759 175.268 176.000 0.045 0.000 1.477 371 Q CA 0.144 55.969 55.803 0.037 0.000 0.547 371 Q CB 0.079 28.833 28.738 0.026 0.000 0.695 371 Q HN 0.488 nan 8.270 nan 0.000 0.316 372 V N 3.944 123.883 119.914 0.042 0.000 3.697 372 V HA 0.341 4.461 4.120 -0.000 0.000 0.285 372 V C 0.121 176.247 176.094 0.053 0.000 1.041 372 V CA 0.097 62.426 62.300 0.049 0.000 1.045 372 V CB 1.616 33.463 31.823 0.040 0.000 1.227 372 V HN 0.918 nan 8.190 nan 0.000 0.448 373 c N 2.477 121.117 118.600 0.066 0.000 2.369 373 c HA 0.431 5.001 4.570 -0.000 0.000 0.322 373 c C -0.278 173.856 174.090 0.073 0.000 1.258 373 c CA -1.022 55.355 56.329 0.080 0.000 1.487 373 c CB 0.442 43.038 42.510 0.143 0.000 2.165 373 c HN 1.029 nan 8.230 nan 0.000 0.483 374 D N 2.414 122.839 120.400 0.042 0.000 2.488 374 D HA 0.030 4.670 4.640 -0.000 0.000 0.238 374 D C 1.089 177.405 176.300 0.026 0.000 1.138 374 D CA 0.624 54.637 54.000 0.021 0.000 0.873 374 D CB 0.907 41.717 40.800 0.015 0.000 1.183 374 D HN 0.550 nan 8.370 nan 0.000 0.458 375 K N 2.104 122.462 120.400 -0.070 0.000 2.057 375 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 375 K C 1.069 177.566 176.600 -0.173 0.000 1.049 375 K CA 0.851 57.049 56.287 -0.148 0.000 0.931 375 K CB -0.118 32.132 32.500 -0.416 0.000 0.714 375 K HN 0.577 nan 8.250 nan 0.000 0.440 376 H N 0.555 119.629 119.070 0.006 0.000 2.682 376 H HA 0.062 4.618 4.556 -0.000 0.000 0.293 376 H C -0.138 175.177 175.328 -0.021 0.000 1.080 376 H CA 0.089 56.132 56.048 -0.009 0.000 1.189 376 H CB -0.717 29.028 29.762 -0.028 0.000 1.311 376 H HN 0.008 nan 8.280 nan 0.000 0.599 377 L N 0.840 122.098 121.223 0.059 0.000 2.350 377 L HA 0.504 4.843 4.340 -0.000 0.000 0.275 377 L C 0.104 176.997 176.870 0.038 0.000 1.099 377 L CA -0.101 54.659 54.840 -0.134 0.000 0.808 377 L CB 1.040 42.934 42.059 -0.275 0.000 1.149 377 L HN 0.232 nan 8.230 nan 0.000 0.442 378 A N 4.310 127.047 122.820 -0.138 0.000 2.601 378 A HA 0.605 4.925 4.320 -0.000 0.000 0.291 378 A C -1.264 176.369 177.584 0.081 0.000 1.075 378 A CA -0.639 51.483 52.037 0.141 0.000 0.671 378 A CB 0.736 19.828 19.000 0.154 0.000 1.277 378 A HN 0.505 nan 8.150 nan 0.000 0.417 379 I N 2.852 123.516 120.570 0.157 0.000 2.308 379 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 379 I C -0.229 175.937 176.117 0.082 0.000 1.078 379 I CA -0.058 61.288 61.300 0.076 0.000 1.292 379 I CB 0.192 38.105 38.000 -0.145 0.000 1.423 379 I HN 0.802 nan 8.210 nan 0.000 0.493 380 D N 3.604 124.086 120.400 0.137 0.000 2.758 380 D HA 0.157 4.796 4.640 -0.000 0.000 0.262 380 D C 0.720 177.137 176.300 0.196 0.000 1.113 380 D CA -0.447 53.638 54.000 0.141 0.000 1.114 380 D CB 1.062 41.912 40.800 0.084 0.000 1.363 380 D HN 0.349 nan 8.370 nan 0.000 0.617 381 S N -1.212 114.566 115.700 0.130 0.000 2.603 381 S HA -0.085 4.385 4.470 -0.000 0.000 0.229 381 S C 1.505 176.136 174.600 0.052 0.000 0.972 381 S CA 0.921 59.173 58.200 0.086 0.000 0.935 381 S CB -0.680 62.551 63.200 0.051 0.000 0.769 381 S HN 0.509 nan 8.310 nan 0.000 0.536 382 S N 1.664 117.404 115.700 0.067 0.000 2.502 382 S HA 0.093 4.562 4.470 -0.000 0.000 0.215 382 S C 1.000 175.633 174.600 0.055 0.000 1.009 382 S CA 0.135 58.360 58.200 0.042 0.000 0.908 382 S CB -0.452 62.767 63.200 0.033 0.000 0.801 382 S HN 0.701 nan 8.310 nan 0.000 0.505 383 N N -0.152 118.610 118.700 0.103 0.000 2.197 383 N HA 0.211 4.951 4.740 -0.000 0.000 0.228 383 N C -0.589 175.036 175.510 0.193 0.000 1.212 383 N CA -0.640 52.479 53.050 0.114 0.000 0.883 383 N CB -0.029 38.533 38.487 0.125 0.000 1.107 383 N HN 0.548 nan 8.380 nan 0.000 0.519 384 Y N 0.131 120.475 120.300 0.074 0.000 2.401 384 Y HA 0.533 5.082 4.550 -0.000 0.000 0.330 384 Y C -1.801 174.165 175.900 0.110 0.000 1.071 384 Y CA -1.274 56.901 58.100 0.125 0.000 1.049 384 Y CB 1.414 39.999 38.460 0.208 0.000 1.239 384 Y HN 0.102 nan 8.280 nan 0.000 0.437 385 E N 5.380 125.299 120.200 -0.469 0.000 2.224 385 E HA 0.243 4.593 4.350 -0.000 0.000 0.265 385 E C -1.277 175.072 176.600 -0.418 0.000 0.878 385 E CA -0.972 55.104 56.400 -0.541 0.000 0.759 385 E CB 1.506 31.091 29.700 -0.192 0.000 1.164 385 E HN 0.825 nan 8.360 nan 0.000 0.414 386 Q N 3.799 123.340 119.800 -0.431 0.000 2.263 386 Q HA -0.065 4.275 4.340 -0.000 0.000 0.289 386 Q C -0.093 175.909 176.000 0.003 0.000 1.061 386 Q CA 0.110 55.932 55.803 0.031 0.000 0.927 386 Q CB 0.718 29.529 28.738 0.122 0.000 1.154 386 Q HN 0.466 nan 8.270 nan 0.000 0.378 387 E N 2.706 122.916 120.200 0.016 0.000 2.452 387 E HA -0.108 4.241 4.350 -0.000 0.000 0.261 387 E C 0.360 176.939 176.600 -0.035 0.000 0.987 387 E CA 0.426 56.804 56.400 -0.036 0.000 0.926 387 E CB 1.206 30.864 29.700 -0.069 0.000 0.934 387 E HN 0.894 nan 8.360 nan 0.000 0.452 388 S N 4.104 119.787 115.700 -0.029 0.000 2.374 388 S HA -0.186 4.284 4.470 -0.000 0.000 0.227 388 S C 1.349 176.018 174.600 0.115 0.000 1.037 388 S CA 1.640 59.852 58.200 0.019 0.000 1.024 388 S CB 0.089 63.274 63.200 -0.024 0.000 0.861 388 S HN 0.502 nan 8.310 nan 0.000 0.456 389 K N 0.421 120.895 120.400 0.123 0.000 2.459 389 K HA 0.142 4.462 4.320 -0.000 0.000 0.193 389 K C 1.708 178.432 176.600 0.206 0.000 1.030 389 K CA 0.080 56.569 56.287 0.336 0.000 1.026 389 K CB -0.085 32.523 32.500 0.180 0.000 0.809 389 K HN 0.361 nan 8.250 nan 0.000 0.504 390 I N 1.938 122.484 120.570 -0.040 0.000 2.229 390 I HA -0.376 3.794 4.170 -0.000 0.000 0.250 390 I C 2.344 178.362 176.117 -0.166 0.000 1.096 390 I CA 1.589 62.752 61.300 -0.228 0.000 1.358 390 I CB -0.771 36.952 38.000 -0.462 0.000 1.047 390 I HN 0.357 nan 8.210 nan 0.000 0.422 391 M N 0.342 119.853 119.600 -0.148 0.000 2.073 391 M HA -0.293 4.187 4.480 -0.000 0.000 0.258 391 M C 2.426 178.592 176.300 -0.223 0.000 1.070 391 M CA 2.195 57.354 55.300 -0.236 0.000 1.103 391 M CB -0.321 32.025 32.600 -0.424 0.000 1.321 391 M HN 0.045 nan 8.290 nan 0.000 0.405 392 F N -0.302 119.651 119.950 0.006 0.000 2.202 392 F HA -0.201 4.325 4.527 -0.001 0.000 0.301 392 F C 2.228 178.099 175.800 0.118 0.000 1.082 392 F CA 1.166 59.203 58.000 0.062 0.000 1.313 392 F CB -1.175 37.874 39.000 0.083 0.000 1.024 392 F HN -0.006 nan 8.300 nan 0.000 0.495 393 V N -0.319 119.719 119.914 0.207 0.000 2.237 393 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 393 V C 2.333 178.528 176.094 0.167 0.000 1.046 393 V CA 1.772 64.121 62.300 0.082 0.000 1.007 393 V CB -0.815 30.909 31.823 -0.165 0.000 0.638 393 V HN 0.185 nan 8.190 nan 0.000 0.445 394 V N 0.699 120.702 119.914 0.148 0.000 2.332 394 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 394 V C 2.268 178.569 176.094 0.344 0.000 1.055 394 V CA 2.360 64.828 62.300 0.281 0.000 1.038 394 V CB -1.024 30.980 31.823 0.302 0.000 0.651 394 V HN 0.558 nan 8.190 nan 0.000 0.450 395 N N 0.484 119.310 118.700 0.209 0.000 2.188 395 N HA -0.056 4.684 4.740 -0.000 0.000 0.184 395 N C 1.888 177.563 175.510 0.275 0.000 1.018 395 N CA 1.488 54.657 53.050 0.197 0.000 0.858 395 N CB -0.658 37.861 38.487 0.053 0.000 0.989 395 N HN 0.464 nan 8.380 nan 0.000 0.426 396 A N 0.602 123.589 122.820 0.279 0.000 1.892 396 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 396 A C 2.392 180.151 177.584 0.291 0.000 1.188 396 A CA 1.806 54.029 52.037 0.310 0.000 0.631 396 A CB -0.989 18.201 19.000 0.316 0.000 0.822 396 A HN 0.108 nan 8.150 nan 0.000 0.447 397 V N -1.815 118.252 119.914 0.255 0.000 2.270 397 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 397 V C 2.356 178.524 176.094 0.123 0.000 1.043 397 V CA 2.017 64.414 62.300 0.161 0.000 1.014 397 V CB -1.161 30.739 31.823 0.127 0.000 0.645 397 V HN 0.622 nan 8.190 nan 0.000 0.447 398 Y N 0.789 121.184 120.300 0.158 0.000 2.193 398 Y HA -0.257 4.293 4.550 -0.000 0.000 0.285 398 Y C 2.496 178.569 175.900 0.288 0.000 1.166 398 Y CA 1.583 59.792 58.100 0.182 0.000 1.181 398 Y CB -0.908 37.671 38.460 0.198 0.000 0.976 398 Y HN 0.195 nan 8.280 nan 0.000 0.520 399 A N -0.154 122.931 122.820 0.443 0.000 1.842 399 A HA -0.337 3.983 4.320 -0.000 0.000 0.217 399 A C 2.259 180.111 177.584 0.447 0.000 1.206 399 A CA 2.263 54.623 52.037 0.539 0.000 0.630 399 A CB -1.078 18.340 19.000 0.697 0.000 0.839 399 A HN 0.423 nan 8.150 nan 0.000 0.447 400 M N 0.020 119.752 119.600 0.218 0.000 2.116 400 M HA -0.251 4.228 4.480 -0.000 0.000 0.255 400 M C 2.118 178.387 176.300 -0.052 0.000 1.075 400 M CA 2.129 57.357 55.300 -0.120 0.000 1.087 400 M CB -0.694 31.848 32.600 -0.097 0.000 1.340 400 M HN 0.475 nan 8.290 nan 0.000 0.402 401 A N -1.317 121.498 122.820 -0.008 0.000 1.841 401 A HA -0.204 4.116 4.320 -0.000 0.000 0.214 401 A C 2.149 179.734 177.584 0.001 0.000 1.195 401 A CA 1.863 53.852 52.037 -0.080 0.000 0.611 401 A CB -1.300 17.547 19.000 -0.254 0.000 0.835 401 A HN 0.690 nan 8.150 nan 0.000 0.443 402 H N -0.253 118.886 119.070 0.115 0.000 2.390 402 H HA -0.157 4.399 4.556 -0.001 0.000 0.298 402 H C 2.550 177.994 175.328 0.193 0.000 1.106 402 H CA 1.609 57.773 56.048 0.193 0.000 1.297 402 H CB -0.415 29.472 29.762 0.208 0.000 1.375 402 H HN 0.525 nan 8.280 nan 0.000 0.509 403 A N 1.286 124.280 122.820 0.288 0.000 1.841 403 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 403 A C 2.795 180.441 177.584 0.103 0.000 1.199 403 A CA 1.434 53.593 52.037 0.203 0.000 0.621 403 A CB -1.047 17.998 19.000 0.076 0.000 0.835 403 A HN 0.293 nan 8.150 nan 0.000 0.445 404 L N -1.510 119.739 121.223 0.043 0.000 2.013 404 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 404 L C 2.705 179.628 176.870 0.087 0.000 1.073 404 L CA 1.985 56.845 54.840 0.034 0.000 0.753 404 L CB -0.920 41.140 42.059 0.000 0.000 0.890 404 L HN 0.647 nan 8.230 nan 0.000 0.432 405 H N 0.610 119.675 119.070 -0.009 0.000 2.394 405 H HA -0.243 4.313 4.556 -0.000 0.000 0.297 405 H C 2.250 177.596 175.328 0.030 0.000 1.113 405 H CA 2.173 58.218 56.048 -0.005 0.000 1.277 405 H CB 0.001 29.743 29.762 -0.033 0.000 1.370 405 H HN 0.192 nan 8.280 nan 0.000 0.506 406 K N -0.363 120.042 120.400 0.009 0.000 2.001 406 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 406 K C 2.435 179.002 176.600 -0.055 0.000 1.048 406 K CA 1.385 57.629 56.287 -0.072 0.000 0.932 406 K CB -0.266 32.246 32.500 0.019 0.000 0.715 406 K HN 0.354 nan 8.250 nan 0.000 0.437 407 M N 1.271 120.870 119.600 -0.001 0.000 2.143 407 M HA -0.307 4.172 4.480 -0.000 0.000 0.258 407 M C 2.215 178.509 176.300 -0.010 0.000 1.071 407 M CA 2.080 57.381 55.300 0.002 0.000 1.088 407 M CB -0.150 32.461 32.600 0.018 0.000 1.360 407 M HN 0.247 nan 8.290 nan 0.000 0.404 408 Q N 0.648 120.440 119.800 -0.013 0.000 1.942 408 Q HA -0.202 4.137 4.340 -0.000 0.000 0.203 408 Q C 1.894 177.870 176.000 -0.040 0.000 0.987 408 Q CA 2.321 58.119 55.803 -0.009 0.000 0.844 408 Q CB -0.639 28.121 28.738 0.037 0.000 0.911 408 Q HN 0.492 nan 8.270 nan 0.000 0.423 409 R N -0.666 119.771 120.500 -0.106 0.000 2.127 409 R HA -0.093 4.246 4.340 -0.000 0.000 0.238 409 R C 2.282 178.547 176.300 -0.058 0.000 1.134 409 R CA 1.796 57.838 56.100 -0.096 0.000 0.975 409 R CB -0.310 29.889 30.300 -0.168 0.000 0.865 409 R HN 0.438 nan 8.270 nan 0.000 0.447 410 T N 0.835 115.357 114.554 -0.054 0.000 2.732 410 T HA -0.052 4.298 4.350 -0.000 0.000 0.261 410 T C 1.705 176.395 174.700 -0.016 0.000 1.040 410 T CA 0.855 62.937 62.100 -0.030 0.000 1.145 410 T CB -0.052 68.803 68.868 -0.022 0.000 0.866 410 T HN 0.143 nan 8.240 nan 0.000 0.427 411 L N 0.234 121.450 121.223 -0.011 0.000 2.291 411 L HA 0.069 4.409 4.340 -0.000 0.000 0.214 411 L C 0.302 177.170 176.870 -0.003 0.000 1.120 411 L CA 0.543 55.381 54.840 -0.003 0.000 0.799 411 L CB 0.030 42.091 42.059 0.003 0.000 0.925 411 L HN 0.330 nan 8.230 nan 0.000 0.446 412 c N -0.110 118.486 118.600 -0.006 0.000 3.328 412 c HA 0.226 4.795 4.570 -0.000 0.000 0.230 412 c C -0.729 173.358 174.090 -0.004 0.000 1.232 412 c CA -1.089 55.239 56.329 -0.003 0.000 1.431 412 c CB 0.447 42.958 42.510 0.001 0.000 1.818 412 c HN 0.189 nan 8.230 nan 0.000 0.484 413 P HA -0.214 nan 4.420 nan 0.000 0.216 413 P C 1.381 178.682 177.300 0.001 0.000 1.150 413 P CA 1.719 64.817 63.100 -0.004 0.000 0.843 413 P CB 0.415 32.113 31.700 -0.003 0.000 0.787 414 Q N 0.144 119.945 119.800 0.002 0.000 1.942 414 Q HA -0.056 4.284 4.340 -0.000 0.000 0.203 414 Q C 1.663 177.666 176.000 0.005 0.000 0.987 414 Q CA 1.716 57.521 55.803 0.004 0.000 0.844 414 Q CB -1.385 27.355 28.738 0.003 0.000 0.911 414 Q HN 0.422 nan 8.270 nan 0.000 0.423 415 T N -2.076 112.481 114.554 0.005 0.000 2.880 415 T HA 0.342 4.692 4.350 -0.000 0.000 0.279 415 T C 1.077 175.783 174.700 0.010 0.000 0.990 415 T CA 0.045 62.149 62.100 0.006 0.000 0.938 415 T CB 1.149 70.019 68.868 0.004 0.000 1.206 415 T HN 0.298 nan 8.240 nan 0.000 0.573 416 T N -3.388 111.173 114.554 0.011 0.000 3.010 416 T HA 0.334 4.684 4.350 -0.000 0.000 0.257 416 T C 0.479 175.188 174.700 0.016 0.000 1.020 416 T CA -0.397 61.715 62.100 0.019 0.000 0.938 416 T CB -0.087 68.788 68.868 0.012 0.000 1.049 416 T HN 0.503 nan 8.240 nan 0.000 0.522 417 K N 0.719 121.124 120.400 0.008 0.000 2.148 417 K HA 0.461 4.781 4.320 -0.000 0.000 0.239 417 K C -0.604 176.001 176.600 0.008 0.000 1.018 417 K CA -1.053 55.237 56.287 0.005 0.000 0.923 417 K CB 0.623 33.123 32.500 0.000 0.000 1.117 417 K HN -0.006 nan 8.250 nan 0.000 0.477 418 L N 3.547 124.773 121.223 0.006 0.000 2.407 418 L HA 0.062 4.402 4.340 -0.000 0.000 0.282 418 L C 0.188 177.062 176.870 0.007 0.000 1.110 418 L CA 0.065 54.909 54.840 0.007 0.000 0.863 418 L CB -0.960 41.102 42.059 0.006 0.000 1.207 418 L HN 0.774 nan 8.230 nan 0.000 0.454 419 c N 2.459 121.064 118.600 0.007 0.000 2.705 419 c HA 0.292 4.862 4.570 -0.000 0.000 0.311 419 c C 1.775 175.869 174.090 0.007 0.000 1.576 419 c CA -0.798 55.535 56.329 0.006 0.000 2.161 419 c CB 0.082 42.595 42.510 0.006 0.000 2.032 419 c HN 0.764 nan 8.230 nan 0.000 0.616 420 D N -0.007 120.398 120.400 0.007 0.000 2.183 420 D HA 0.057 4.697 4.640 -0.000 0.000 0.203 420 D C 2.260 178.566 176.300 0.010 0.000 0.969 420 D CA 1.592 55.597 54.000 0.008 0.000 0.842 420 D CB -0.338 40.466 40.800 0.007 0.000 0.957 420 D HN 0.707 nan 8.370 nan 0.000 0.484 421 A N 0.121 122.946 122.820 0.009 0.000 1.908 421 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 421 A C 1.992 179.584 177.584 0.013 0.000 1.181 421 A CA 1.151 53.195 52.037 0.011 0.000 0.627 421 A CB -0.352 18.653 19.000 0.009 0.000 0.818 421 A HN 0.197 nan 8.150 nan 0.000 0.445 422 M N -1.762 117.846 119.600 0.013 0.000 2.428 422 M HA 0.067 4.547 4.480 -0.000 0.000 0.239 422 M C 1.567 177.876 176.300 0.016 0.000 1.121 422 M CA 0.206 55.515 55.300 0.015 0.000 1.019 422 M CB 0.259 32.868 32.600 0.014 0.000 1.485 422 M HN 0.238 nan 8.290 nan 0.000 0.484 423 K N 2.206 122.615 120.400 0.015 0.000 2.059 423 K HA -0.089 4.231 4.320 -0.000 0.000 0.212 423 K C 0.652 177.264 176.600 0.019 0.000 1.050 423 K CA 1.184 57.480 56.287 0.015 0.000 0.927 423 K CB -0.211 32.297 32.500 0.013 0.000 0.714 423 K HN 0.513 nan 8.250 nan 0.000 0.447 424 I N -0.676 119.906 120.570 0.021 0.000 2.390 424 I HA 0.298 4.468 4.170 -0.000 0.000 0.283 424 I C -0.696 175.438 176.117 0.030 0.000 1.016 424 I CA -0.973 60.343 61.300 0.026 0.000 1.151 424 I CB 1.125 39.141 38.000 0.026 0.000 1.293 424 I HN -0.192 nan 8.210 nan 0.000 0.458 425 L N 4.373 125.616 121.223 0.032 0.000 2.482 425 L HA 0.173 4.513 4.340 -0.000 0.000 0.273 425 L C 0.438 177.338 176.870 0.050 0.000 1.228 425 L CA 0.193 55.056 54.840 0.038 0.000 0.827 425 L CB 0.192 42.273 42.059 0.037 0.000 1.099 425 L HN 0.657 nan 8.230 nan 0.000 0.494 426 D N 0.929 121.364 120.400 0.059 0.000 2.485 426 D HA 0.182 4.822 4.640 -0.000 0.000 0.229 426 D C 0.954 177.323 176.300 0.115 0.000 1.101 426 D CA -0.090 53.956 54.000 0.076 0.000 0.906 426 D CB 1.346 42.185 40.800 0.065 0.000 1.019 426 D HN 0.603 nan 8.370 nan 0.000 0.516 427 G N 3.774 112.658 108.800 0.140 0.000 2.764 427 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.219 427 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.219 427 G C 1.430 176.528 174.900 0.331 0.000 1.259 427 G CA 1.275 46.519 45.100 0.240 0.000 0.793 427 G HN 0.556 nan 8.290 nan 0.000 0.633 428 K N -0.102 120.525 120.400 0.379 0.000 2.097 428 K HA -0.295 4.024 4.320 -0.000 0.000 0.214 428 K C 2.568 179.258 176.600 0.149 0.000 1.052 428 K CA 2.174 58.618 56.287 0.261 0.000 0.932 428 K CB -0.160 32.474 32.500 0.223 0.000 0.716 428 K HN 0.204 nan 8.250 nan 0.000 0.455 429 K N 0.573 121.048 120.400 0.126 0.000 1.985 429 K HA -0.134 4.186 4.320 -0.000 0.000 0.210 429 K C 1.934 178.586 176.600 0.086 0.000 1.047 429 K CA 1.342 57.678 56.287 0.081 0.000 0.932 429 K CB -0.660 31.879 32.500 0.065 0.000 0.716 429 K HN 0.141 nan 8.250 nan 0.000 0.439 430 L N 0.063 121.348 121.223 0.104 0.000 2.089 430 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 430 L C 2.039 178.989 176.870 0.133 0.000 1.079 430 L CA 1.829 56.724 54.840 0.092 0.000 0.758 430 L CB -0.739 41.361 42.059 0.069 0.000 0.891 430 L HN 0.361 nan 8.230 nan 0.000 0.433 431 Y N 0.277 120.589 120.300 0.019 0.000 2.373 431 Y HA -0.066 4.483 4.550 -0.001 0.000 0.293 431 Y C 1.314 177.201 175.900 -0.022 0.000 1.129 431 Y CA 1.096 59.193 58.100 -0.005 0.000 1.226 431 Y CB 0.118 38.442 38.460 -0.226 0.000 1.000 431 Y HN 0.121 nan 8.280 nan 0.000 0.549 432 K N 0.899 121.247 120.400 -0.087 0.000 2.832 432 K HA 0.121 4.441 4.320 -0.000 0.000 0.211 432 K C 0.125 176.685 176.600 -0.067 0.000 1.112 432 K CA 0.395 56.595 56.287 -0.144 0.000 1.108 432 K CB 0.431 32.892 32.500 -0.066 0.000 0.899 432 K HN 0.569 nan 8.250 nan 0.000 0.464 433 E N -1.253 118.930 120.200 -0.028 0.000 2.671 433 E HA -0.004 4.346 4.350 -0.000 0.000 0.204 433 E C 0.235 176.891 176.600 0.093 0.000 0.940 433 E CA -0.064 56.349 56.400 0.023 0.000 1.328 433 E CB 0.175 29.898 29.700 0.038 0.000 1.214 433 E HN 0.103 nan 8.360 nan 0.000 0.624 434 Y N 0.794 121.013 120.300 -0.135 0.000 2.569 434 Y HA 0.343 4.893 4.550 -0.001 0.000 0.278 434 Y C 1.438 177.234 175.900 -0.174 0.000 1.130 434 Y CA 0.807 58.827 58.100 -0.133 0.000 1.280 434 Y CB -0.284 38.055 38.460 -0.202 0.000 1.379 434 Y HN 0.061 nan 8.280 nan 0.000 0.508 435 L N 0.454 121.334 121.223 -0.572 0.000 2.013 435 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 435 L C 1.943 178.716 176.870 -0.163 0.000 1.073 435 L CA 1.638 56.127 54.840 -0.585 0.000 0.753 435 L CB -0.912 40.810 42.059 -0.561 0.000 0.890 435 L HN 0.210 nan 8.230 nan 0.000 0.432 436 L N 0.086 121.231 121.223 -0.130 0.000 2.885 436 L HA -0.112 4.228 4.340 -0.000 0.000 0.258 436 L C 0.784 177.648 176.870 -0.011 0.000 1.146 436 L CA 0.150 54.957 54.840 -0.056 0.000 0.922 436 L CB -0.714 41.313 42.059 -0.053 0.000 1.138 436 L HN 0.068 nan 8.230 nan 0.000 0.431 437 K N 1.167 121.586 120.400 0.031 0.000 2.118 437 K HA 0.616 4.936 4.320 -0.000 0.000 0.264 437 K C -0.691 175.888 176.600 -0.036 0.000 1.000 437 K CA -0.124 56.193 56.287 0.051 0.000 0.929 437 K CB 0.832 33.436 32.500 0.173 0.000 1.021 437 K HN -0.014 nan 8.250 nan 0.000 0.463 438 I N 3.869 124.388 120.570 -0.085 0.000 2.685 438 I HA 0.210 4.379 4.170 -0.000 0.000 0.289 438 I C -1.211 174.779 176.117 -0.212 0.000 1.292 438 I CA -0.663 60.543 61.300 -0.156 0.000 1.050 438 I CB 1.893 39.805 38.000 -0.147 0.000 1.301 438 I HN 0.641 nan 8.210 nan 0.000 0.425 439 Q N 6.795 126.441 119.800 -0.256 0.000 2.472 439 Q HA 0.404 4.744 4.340 -0.000 0.000 0.281 439 Q C -2.051 173.837 176.000 -0.187 0.000 0.997 439 Q CA -0.706 54.911 55.803 -0.310 0.000 0.828 439 Q CB 2.197 30.589 28.738 -0.577 0.000 1.443 439 Q HN 0.553 nan 8.270 nan 0.000 0.390 440 F N 2.835 122.671 119.950 -0.190 0.000 2.506 440 F HA 0.097 4.624 4.527 -0.000 0.000 0.371 440 F C 1.227 176.912 175.800 -0.191 0.000 1.078 440 F CA 0.016 57.920 58.000 -0.160 0.000 1.195 440 F CB 1.162 40.086 39.000 -0.127 0.000 1.099 440 F HN 0.652 nan 8.300 nan 0.000 0.548 441 T N 2.298 116.878 114.554 0.043 0.000 2.897 441 T HA 0.007 4.357 4.350 -0.000 0.000 0.304 441 T C 0.399 174.957 174.700 -0.237 0.000 1.051 441 T CA -0.656 61.377 62.100 -0.110 0.000 1.132 441 T CB 0.481 69.276 68.868 -0.121 0.000 1.066 441 T HN 0.803 nan 8.240 nan 0.000 0.518 442 A N 6.282 128.833 122.820 -0.448 0.000 2.558 442 A HA 0.230 4.550 4.320 -0.000 0.000 0.262 442 A C 0.093 177.237 177.584 -0.732 0.000 1.049 442 A CA -0.615 50.862 52.037 -0.932 0.000 0.804 442 A CB -0.636 17.420 19.000 -1.573 0.000 0.957 442 A HN 0.834 nan 8.150 nan 0.000 0.520 443 P HA -0.259 nan 4.420 nan 0.000 0.224 443 P C 0.784 177.994 177.300 -0.149 0.000 1.138 443 P CA 1.528 64.424 63.100 -0.341 0.000 0.791 443 P CB -0.338 31.188 31.700 -0.291 0.000 0.750 444 F N -0.739 119.173 119.950 -0.064 0.000 2.722 444 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 444 F C 1.348 177.142 175.800 -0.010 0.000 1.175 444 F CA -0.458 57.548 58.000 0.011 0.000 1.462 444 F CB -0.528 38.510 39.000 0.063 0.000 1.111 444 F HN 0.033 nan 8.300 nan 0.000 0.592 445 N N 1.289 120.032 118.700 0.072 0.000 2.408 445 N HA 0.173 4.912 4.740 -0.000 0.000 0.280 445 N C -1.408 174.082 175.510 -0.034 0.000 1.002 445 N CA -2.124 50.932 53.050 0.009 0.000 0.907 445 N CB 1.327 39.776 38.487 -0.064 0.000 1.161 445 N HN -0.270 nan 8.380 nan 0.000 0.488 446 P HA -0.125 nan 4.420 nan 0.000 0.210 446 P C -0.208 177.044 177.300 -0.079 0.000 1.191 446 P CA 1.086 64.170 63.100 -0.028 0.000 0.917 446 P CB -0.346 31.354 31.700 0.000 0.000 0.778 447 N N -0.251 118.412 118.700 -0.062 0.000 2.285 447 N HA 0.040 4.780 4.740 -0.000 0.000 0.262 447 N C 0.698 176.088 175.510 -0.200 0.000 1.299 447 N CA 0.072 53.066 53.050 -0.093 0.000 0.930 447 N CB 0.290 38.759 38.487 -0.031 0.000 1.157 447 N HN 0.027 nan 8.380 nan 0.000 0.532 448 K N -2.958 117.315 120.400 -0.211 0.000 2.620 448 K HA 0.193 4.513 4.320 -0.000 0.000 0.208 448 K C 0.288 176.853 176.600 -0.057 0.000 1.582 448 K CA 0.144 56.213 56.287 -0.364 0.000 1.083 448 K CB 0.820 32.938 32.500 -0.637 0.000 1.420 448 K HN 0.596 nan 8.250 nan 0.000 0.582 449 G N 1.101 109.886 108.800 -0.025 0.000 3.161 449 G HA2 0.456 4.416 3.960 -0.000 0.000 0.293 449 G HA3 0.456 4.416 3.960 -0.000 0.000 0.293 449 G C 0.225 175.140 174.900 0.024 0.000 0.893 449 G CA 0.140 45.256 45.100 0.027 0.000 1.756 449 G HN 0.200 nan 8.290 nan 0.000 0.549 450 A N 2.380 125.219 122.820 0.033 0.000 2.446 450 A HA 0.394 4.714 4.320 -0.000 0.000 0.218 450 A C 0.553 178.144 177.584 0.011 0.000 1.200 450 A CA 0.452 52.505 52.037 0.026 0.000 1.259 450 A CB -0.230 18.798 19.000 0.047 0.000 1.136 450 A HN 0.578 nan 8.150 nan 0.000 0.450 451 D N 0.838 121.258 120.400 0.035 0.000 2.837 451 D HA -0.173 4.467 4.640 -0.000 0.000 0.230 451 D C 0.598 176.901 176.300 0.003 0.000 1.152 451 D CA 1.221 55.236 54.000 0.026 0.000 0.736 451 D CB -1.129 39.675 40.800 0.006 0.000 1.084 451 D HN 0.907 nan 8.370 nan 0.000 0.429 452 S N 0.180 115.891 115.700 0.019 0.000 3.864 452 S HA 0.342 4.812 4.470 -0.000 0.000 0.202 452 S C 0.722 175.356 174.600 0.056 0.000 1.402 452 S CA -0.579 57.600 58.200 -0.034 0.000 1.072 452 S CB -0.797 62.355 63.200 -0.080 0.000 1.383 452 S HN 0.455 nan 8.310 nan 0.000 0.458 453 I N -0.884 119.698 120.570 0.021 0.000 2.498 453 I HA 0.754 4.923 4.170 -0.000 0.000 0.290 453 I C -0.304 175.745 176.117 -0.114 0.000 1.032 453 I CA -1.580 59.715 61.300 -0.008 0.000 1.073 453 I CB 2.223 40.176 38.000 -0.077 0.000 1.251 453 I HN 0.095 nan 8.210 nan 0.000 0.426 454 V N 4.844 124.666 119.914 -0.154 0.000 2.583 454 V HA 0.741 4.860 4.120 -0.000 0.000 0.287 454 V C -0.218 175.669 176.094 -0.346 0.000 1.051 454 V CA 0.238 62.389 62.300 -0.248 0.000 1.010 454 V CB 0.880 32.577 31.823 -0.210 0.000 0.988 454 V HN 1.146 nan 8.190 nan 0.000 0.478 455 K N 3.871 123.957 120.400 -0.523 0.000 2.680 455 K HA 0.640 4.960 4.320 -0.000 0.000 0.295 455 K C -1.833 174.310 176.600 -0.761 0.000 1.052 455 K CA -0.929 55.040 56.287 -0.530 0.000 0.863 455 K CB 1.285 33.645 32.500 -0.234 0.000 1.549 455 K HN 0.486 nan 8.250 nan 0.000 0.391 456 F N 0.427 120.301 119.950 -0.127 0.000 2.588 456 F HA 0.368 4.895 4.527 -0.000 0.000 0.314 456 F C -0.043 175.721 175.800 -0.060 0.000 1.069 456 F CA -0.834 57.105 58.000 -0.103 0.000 0.931 456 F CB 1.645 40.529 39.000 -0.193 0.000 1.260 456 F HN 0.435 nan 8.300 nan 0.000 0.465 457 D N -0.256 120.265 120.400 0.201 0.000 2.356 457 D HA 0.091 4.730 4.640 -0.000 0.000 0.258 457 D C 1.357 177.692 176.300 0.059 0.000 1.279 457 D CA 0.305 54.403 54.000 0.163 0.000 1.016 457 D CB 0.395 41.391 40.800 0.326 0.000 1.107 457 D HN 0.662 nan 8.370 nan 0.000 0.544 458 T N -2.187 112.303 114.554 -0.106 0.000 3.163 458 T HA -0.009 4.341 4.350 -0.000 0.000 0.260 458 T C 1.248 175.673 174.700 -0.459 0.000 1.156 458 T CA 0.618 62.507 62.100 -0.351 0.000 1.072 458 T CB -0.370 68.172 68.868 -0.544 0.000 0.937 458 T HN 0.246 nan 8.240 nan 0.000 0.528 459 F N 0.750 120.738 119.950 0.064 0.000 2.706 459 F HA 0.513 5.040 4.527 -0.000 0.000 0.308 459 F C 1.916 177.791 175.800 0.125 0.000 1.095 459 F CA -0.341 57.713 58.000 0.090 0.000 1.244 459 F CB 0.157 39.211 39.000 0.091 0.000 1.063 459 F HN 0.281 nan 8.300 nan 0.000 0.582 460 G N 1.016 109.968 108.800 0.254 0.000 2.141 460 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.242 460 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.242 460 G C -0.347 174.752 174.900 0.331 0.000 0.982 460 G CA 0.305 45.515 45.100 0.183 0.000 0.662 460 G HN 0.395 nan 8.290 nan 0.000 0.527 461 D N -0.104 120.499 120.400 0.338 0.000 2.564 461 D HA 0.739 5.379 4.640 -0.000 0.000 0.273 461 D C 1.005 177.426 176.300 0.202 0.000 1.192 461 D CA -0.052 54.110 54.000 0.270 0.000 1.080 461 D CB 0.273 41.178 40.800 0.175 0.000 1.160 461 D HN 0.623 nan 8.370 nan 0.000 0.607 462 G N -1.397 107.466 108.800 0.105 0.000 2.938 462 G HA2 0.490 4.450 3.960 -0.000 0.000 0.258 462 G HA3 0.490 4.450 3.960 -0.000 0.000 0.258 462 G C -0.349 174.556 174.900 0.008 0.000 1.356 462 G CA -0.917 44.208 45.100 0.042 0.000 1.052 462 G HN 0.252 nan 8.290 nan 0.000 0.550 463 M N 1.404 121.013 119.600 0.014 0.000 2.188 463 M HA 0.240 4.720 4.480 -0.000 0.000 0.354 463 M C 1.009 177.332 176.300 0.039 0.000 1.342 463 M CA -0.699 54.626 55.300 0.041 0.000 1.117 463 M CB 0.425 33.054 32.600 0.048 0.000 1.670 463 M HN 0.503 nan 8.290 nan 0.000 0.466 464 G N 5.134 114.017 108.800 0.138 0.000 2.916 464 G HA2 0.197 4.157 3.960 -0.000 0.000 0.280 464 G HA3 0.197 4.157 3.960 -0.000 0.000 0.280 464 G C 0.180 175.325 174.900 0.409 0.000 0.758 464 G CA -0.408 44.873 45.100 0.301 0.000 1.993 464 G HN 0.452 nan 8.290 nan 0.000 0.564 465 R N 1.473 121.980 120.500 0.012 0.000 2.310 465 R HA 0.367 4.707 4.340 -0.000 0.000 0.324 465 R C -1.260 175.027 176.300 -0.022 0.000 0.955 465 R CA -0.631 55.579 56.100 0.184 0.000 0.830 465 R CB 1.306 31.683 30.300 0.128 0.000 1.154 465 R HN 0.440 nan 8.270 nan 0.000 0.458 466 Y N 0.534 121.088 120.300 0.423 0.000 2.524 466 Y HA 0.409 4.958 4.550 -0.001 0.000 0.344 466 Y C 0.540 176.661 175.900 0.369 0.000 1.012 466 Y CA -1.035 57.252 58.100 0.313 0.000 1.068 466 Y CB 1.624 40.208 38.460 0.206 0.000 1.249 466 Y HN 0.291 nan 8.280 nan 0.000 0.468 467 N N 0.710 119.700 118.700 0.483 0.000 2.399 467 N HA 0.456 5.195 4.740 -0.000 0.000 0.295 467 N C -1.275 174.571 175.510 0.560 0.000 1.048 467 N CA -0.499 52.872 53.050 0.535 0.000 0.886 467 N CB 2.219 41.104 38.487 0.662 0.000 1.185 467 N HN 0.298 nan 8.380 nan 0.000 0.487 468 V N 3.009 123.206 119.914 0.472 0.000 2.465 468 V HA 0.452 4.572 4.120 -0.000 0.000 0.279 468 V C -0.334 176.019 176.094 0.433 0.000 1.045 468 V CA -0.308 62.222 62.300 0.383 0.000 0.938 468 V CB -0.020 31.936 31.823 0.221 0.000 0.986 468 V HN 0.396 nan 8.190 nan 0.000 0.467 469 F N 2.535 122.507 119.950 0.037 0.000 2.561 469 F HA 0.498 5.025 4.527 -0.000 0.000 0.321 469 F C 0.253 176.018 175.800 -0.060 0.000 1.065 469 F CA -1.187 56.832 58.000 0.031 0.000 0.934 469 F CB 1.894 40.970 39.000 0.127 0.000 1.215 469 F HN 0.478 nan 8.300 nan 0.000 0.471 470 N N 2.026 120.724 118.700 -0.005 0.000 2.399 470 N HA 0.400 5.140 4.740 -0.000 0.000 0.284 470 N C -1.906 173.467 175.510 -0.229 0.000 1.025 470 N CA -0.645 52.288 53.050 -0.195 0.000 0.885 470 N CB 1.463 39.753 38.487 -0.328 0.000 1.339 470 N HN 0.539 nan 8.380 nan 0.000 0.487 471 L N 4.393 125.422 121.223 -0.324 0.000 2.295 471 L HA 0.285 4.624 4.340 -0.000 0.000 0.288 471 L C -0.581 176.046 176.870 -0.405 0.000 1.079 471 L CA 0.208 54.782 54.840 -0.443 0.000 0.830 471 L CB 0.195 42.007 42.059 -0.412 0.000 1.200 471 L HN 0.586 nan 8.230 nan 0.000 0.438 472 Q N 3.422 123.061 119.800 -0.268 0.000 2.456 472 Q HA 0.606 4.946 4.340 -0.000 0.000 0.283 472 Q C -1.415 174.666 176.000 0.136 0.000 1.084 472 Q CA -1.001 54.727 55.803 -0.125 0.000 0.801 472 Q CB 2.091 30.694 28.738 -0.225 0.000 1.434 472 Q HN 0.546 nan 8.270 nan 0.000 0.419 473 Q N 1.033 121.061 119.800 0.382 0.000 2.323 473 Q HA 0.359 4.698 4.340 -0.000 0.000 0.271 473 Q C -0.855 175.292 176.000 0.244 0.000 1.048 473 Q CA -0.132 55.841 55.803 0.284 0.000 0.792 473 Q CB 2.260 31.183 28.738 0.307 0.000 1.280 473 Q HN 1.030 nan 8.270 nan 0.000 0.441 474 T N -0.660 113.987 114.554 0.155 0.000 3.075 474 T HA 0.324 4.674 4.350 -0.000 0.000 0.251 474 T C 0.828 175.580 174.700 0.087 0.000 0.979 474 T CA 0.557 62.737 62.100 0.133 0.000 1.033 474 T CB 0.220 69.158 68.868 0.117 0.000 1.104 474 T HN 0.557 nan 8.240 nan 0.000 0.473 475 G N 0.152 108.994 108.800 0.070 0.000 4.766 475 G HA2 0.498 4.458 3.960 -0.000 0.000 0.331 475 G HA3 0.498 4.458 3.960 -0.000 0.000 0.331 475 G C 1.042 175.971 174.900 0.049 0.000 1.473 475 G CA -0.138 44.992 45.100 0.050 0.000 1.076 475 G HN 0.953 nan 8.290 nan 0.000 0.544 476 G N 0.510 109.348 108.800 0.063 0.000 2.205 476 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.269 476 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.269 476 G C 0.490 175.444 174.900 0.091 0.000 0.977 476 G CA 1.173 46.315 45.100 0.071 0.000 0.652 476 G HN 0.841 nan 8.290 nan 0.000 0.539 477 K N -0.009 120.437 120.400 0.076 0.000 2.397 477 K HA 0.581 4.901 4.320 -0.000 0.000 0.253 477 K C 0.008 176.648 176.600 0.067 0.000 0.932 477 K CA -1.326 54.980 56.287 0.031 0.000 0.795 477 K CB 1.013 33.475 32.500 -0.065 0.000 1.159 477 K HN 0.315 nan 8.250 nan 0.000 0.424 478 Y N 1.097 121.441 120.300 0.072 0.000 2.316 478 Y HA 0.519 5.069 4.550 -0.000 0.000 0.331 478 Y C -0.408 175.536 175.900 0.075 0.000 1.083 478 Y CA -0.571 57.574 58.100 0.075 0.000 1.206 478 Y CB 1.023 39.526 38.460 0.070 0.000 1.195 478 Y HN 0.486 nan 8.280 nan 0.000 0.497 479 S N 1.915 117.687 115.700 0.119 0.000 2.638 479 S HA 0.580 5.050 4.470 -0.000 0.000 0.274 479 S C -1.844 172.819 174.600 0.104 0.000 1.157 479 S CA -1.120 57.156 58.200 0.126 0.000 0.826 479 S CB 1.022 64.256 63.200 0.055 0.000 1.139 479 S HN 0.572 nan 8.310 nan 0.000 0.474 480 Y N 0.569 120.947 120.300 0.130 0.000 2.331 480 Y HA 0.680 5.230 4.550 -0.000 0.000 0.338 480 Y C -0.347 175.580 175.900 0.046 0.000 0.992 480 Y CA -0.926 57.279 58.100 0.176 0.000 1.121 480 Y CB 1.511 40.200 38.460 0.382 0.000 1.184 480 Y HN 0.668 nan 8.280 nan 0.000 0.469 481 L N 4.859 126.078 121.223 -0.008 0.000 2.296 481 L HA 0.461 4.800 4.340 -0.000 0.000 0.286 481 L C -0.259 176.314 176.870 -0.494 0.000 1.023 481 L CA -0.964 53.753 54.840 -0.206 0.000 0.812 481 L CB 1.062 42.991 42.059 -0.216 0.000 1.223 481 L HN 0.556 nan 8.230 nan 0.000 0.421 482 K N 4.372 124.366 120.400 -0.676 0.000 2.416 482 K HA 0.374 4.694 4.320 -0.000 0.000 0.283 482 K C -0.572 175.786 176.600 -0.404 0.000 1.037 482 K CA -0.017 55.737 56.287 -0.888 0.000 0.995 482 K CB 0.453 32.604 32.500 -0.582 0.000 0.938 482 K HN 0.590 nan 8.250 nan 0.000 0.475 483 V N 1.395 121.132 119.914 -0.295 0.000 2.502 483 V HA 0.619 4.739 4.120 -0.000 0.000 0.261 483 V C -0.007 176.073 176.094 -0.023 0.000 0.996 483 V CA 0.066 62.290 62.300 -0.126 0.000 1.095 483 V CB -0.081 31.666 31.823 -0.127 0.000 1.325 483 V HN 1.049 nan 8.190 nan 0.000 0.574 484 G N 1.500 110.315 108.800 0.026 0.000 2.541 484 G HA2 0.278 4.237 3.960 -0.000 0.000 0.686 484 G HA3 0.278 4.237 3.960 -0.000 0.000 0.686 484 G C -0.786 174.233 174.900 0.199 0.000 1.286 484 G CA -0.099 45.055 45.100 0.089 0.000 0.894 484 G HN 2.051 nan 8.290 nan 0.000 0.575 485 H N -2.636 116.523 119.070 0.149 0.000 2.984 485 H HA 0.694 5.250 4.556 -0.000 0.000 0.277 485 H C -1.776 173.750 175.328 0.331 0.000 1.502 485 H CA -1.092 55.109 56.048 0.254 0.000 1.195 485 H CB 1.233 31.127 29.762 0.220 0.000 1.866 485 H HN 1.237 nan 8.280 nan 0.000 0.594 486 W N 0.724 122.150 121.300 0.210 0.000 2.756 486 W HA 0.640 5.299 4.660 -0.001 0.000 0.333 486 W C -0.599 176.133 176.519 0.354 0.000 1.025 486 W CA 0.111 57.548 57.345 0.154 0.000 1.246 486 W CB 1.691 31.242 29.460 0.151 0.000 1.358 486 W HN 0.865 nan 8.180 nan 0.000 0.444 487 A N 2.932 125.615 122.820 -0.228 0.000 1.920 487 A HA 0.189 4.508 4.320 -0.000 0.000 0.209 487 A C 1.205 178.293 177.584 -0.826 0.000 1.229 487 A CA 1.440 53.355 52.037 -0.203 0.000 0.671 487 A CB 0.191 19.162 19.000 -0.048 0.000 0.886 487 A HN 0.692 nan 8.150 nan 0.000 0.461 488 E N -1.758 117.545 120.200 -1.496 0.000 2.321 488 E HA 0.029 4.379 4.350 -0.000 0.000 0.158 488 E C -0.899 175.099 176.600 -1.003 0.000 0.877 488 E CA 0.703 56.314 56.400 -1.315 0.000 1.344 488 E CB 0.484 29.931 29.700 -0.421 0.000 1.630 488 E HN 0.537 nan 8.360 nan 0.000 0.669 489 T N -1.140 112.725 114.554 -1.148 0.000 2.982 489 T HA 0.483 4.833 4.350 -0.000 0.000 0.321 489 T C -0.423 173.915 174.700 -0.603 0.000 1.229 489 T CA -0.867 60.895 62.100 -0.565 0.000 1.044 489 T CB 1.933 70.627 68.868 -0.289 0.000 1.184 489 T HN 0.060 nan 8.240 nan 0.000 0.477 490 L N 1.305 122.419 121.223 -0.181 0.000 2.444 490 L HA 0.765 5.105 4.340 -0.000 0.000 0.251 490 L C 0.314 177.027 176.870 -0.261 0.000 1.247 490 L CA 0.964 55.772 54.840 -0.053 0.000 0.825 490 L CB 0.787 42.879 42.059 0.056 0.000 1.129 490 L HN 1.145 nan 8.230 nan 0.000 0.527 491 S N 0.917 116.447 115.700 -0.283 0.000 2.608 491 S HA 0.696 5.166 4.470 -0.000 0.000 0.285 491 S C -1.978 172.489 174.600 -0.222 0.000 1.108 491 S CA -0.332 57.676 58.200 -0.320 0.000 0.858 491 S CB 0.181 63.072 63.200 -0.516 0.000 1.077 491 S HN 1.147 nan 8.310 nan 0.000 0.450 492 L N 2.063 123.195 121.223 -0.151 0.000 3.546 492 L HA 0.417 4.757 4.340 -0.000 0.000 0.258 492 L C -0.789 176.075 176.870 -0.009 0.000 0.984 492 L CA -0.867 53.944 54.840 -0.048 0.000 1.078 492 L CB 1.098 43.159 42.059 0.003 0.000 1.801 492 L HN 0.734 nan 8.230 nan 0.000 0.497 493 D N 2.218 122.635 120.400 0.028 0.000 2.504 493 D HA 0.078 4.717 4.640 -0.000 0.000 0.243 493 D C 1.254 177.620 176.300 0.111 0.000 1.203 493 D CA -0.089 53.942 54.000 0.052 0.000 0.847 493 D CB 0.683 41.506 40.800 0.038 0.000 0.973 493 D HN 0.474 nan 8.370 nan 0.000 0.490 494 V N 1.260 121.280 119.914 0.177 0.000 1.745 494 V HA -0.431 3.689 4.120 -0.000 0.000 0.136 494 V C 1.544 177.827 176.094 0.315 0.000 1.299 494 V CA 2.570 65.077 62.300 0.345 0.000 2.331 494 V CB -0.906 31.145 31.823 0.379 0.000 0.973 494 V HN 0.459 nan 8.190 nan 0.000 0.504 495 D N -0.031 120.511 120.400 0.237 0.000 2.387 495 D HA -0.018 4.621 4.640 -0.000 0.000 0.257 495 D C 1.707 178.108 176.300 0.169 0.000 1.198 495 D CA 1.074 55.200 54.000 0.210 0.000 0.945 495 D CB 0.033 40.925 40.800 0.153 0.000 0.907 495 D HN 0.847 nan 8.370 nan 0.000 0.518 496 S N -0.929 114.854 115.700 0.138 0.000 2.527 496 S HA 0.093 4.563 4.470 -0.000 0.000 0.227 496 S C 1.054 175.650 174.600 -0.007 0.000 1.059 496 S CA -0.352 57.881 58.200 0.056 0.000 0.919 496 S CB 0.397 63.601 63.200 0.006 0.000 0.805 496 S HN 0.075 nan 8.310 nan 0.000 0.500 497 I N 3.586 124.128 120.570 -0.047 0.000 2.618 497 I HA 0.168 4.338 4.170 -0.000 0.000 0.284 497 I C -0.274 175.669 176.117 -0.291 0.000 1.146 497 I CA -0.024 61.050 61.300 -0.378 0.000 1.425 497 I CB 0.157 37.669 38.000 -0.814 0.000 1.383 497 I HN 0.178 nan 8.210 nan 0.000 0.562 498 H N 5.144 123.886 119.070 -0.546 0.000 2.556 498 H HA 0.316 4.872 4.556 -0.000 0.000 0.310 498 H C -0.812 174.257 175.328 -0.431 0.000 1.057 498 H CA -1.054 54.821 56.048 -0.288 0.000 1.264 498 H CB 0.434 30.132 29.762 -0.108 0.000 1.404 498 H HN 0.428 nan 8.280 nan 0.000 0.462 499 W N 1.015 122.410 121.300 0.158 0.000 2.260 499 W HA 0.419 5.078 4.660 -0.001 0.000 0.366 499 W C 0.821 177.470 176.519 0.218 0.000 1.315 499 W CA -0.832 56.576 57.345 0.104 0.000 1.458 499 W CB 0.536 30.060 29.460 0.107 0.000 1.255 499 W HN 0.354 nan 8.180 nan 0.000 0.671 500 S N 1.022 116.988 115.700 0.445 0.000 2.549 500 S HA 0.414 4.884 4.470 -0.000 0.000 0.279 500 S C 0.997 175.779 174.600 0.302 0.000 1.321 500 S CA 0.568 59.025 58.200 0.429 0.000 1.054 500 S CB 0.265 63.642 63.200 0.295 0.000 0.899 500 S HN 1.183 nan 8.310 nan 0.000 0.497 501 R N 3.204 123.843 120.500 0.231 0.000 3.776 501 R HA -0.180 4.160 4.340 -0.000 0.000 0.312 501 R C 0.365 176.767 176.300 0.170 0.000 1.181 501 R CA 1.406 57.589 56.100 0.138 0.000 0.836 501 R CB -3.244 27.109 30.300 0.089 0.000 1.324 501 R HN 1.372 nan 8.270 nan 0.000 0.501 502 N N -1.427 117.425 118.700 0.254 0.000 2.712 502 N HA -0.178 4.561 4.740 -0.000 0.000 0.263 502 N C -0.217 175.440 175.510 0.244 0.000 0.954 502 N CA 1.360 54.570 53.050 0.267 0.000 0.812 502 N CB -1.043 37.534 38.487 0.150 0.000 0.912 502 N HN 1.525 nan 8.380 nan 0.000 0.551 503 S N -0.619 115.243 115.700 0.270 0.000 2.572 503 S HA 0.289 4.759 4.470 -0.000 0.000 0.274 503 S C -0.362 174.192 174.600 -0.077 0.000 1.150 503 S CA -0.737 57.540 58.200 0.127 0.000 0.944 503 S CB 2.079 65.316 63.200 0.061 0.000 1.071 503 S HN 0.413 nan 8.310 nan 0.000 0.479 504 V N 6.843 126.553 119.914 -0.341 0.000 2.441 504 V HA 0.308 4.428 4.120 -0.000 0.000 0.279 504 V C -2.253 173.557 176.094 -0.473 0.000 0.990 504 V CA -0.741 60.976 62.300 -0.970 0.000 1.116 504 V CB -0.292 31.234 31.823 -0.494 0.000 0.977 504 V HN 0.784 nan 8.190 nan 0.000 0.470 505 P HA 0.240 nan 4.420 nan 0.000 0.272 505 P C -0.716 176.729 177.300 0.240 0.000 1.243 505 P CA 0.172 63.260 63.100 -0.020 0.000 0.803 505 P CB 0.282 31.973 31.700 -0.015 0.000 0.974 506 T N -0.601 114.107 114.554 0.255 0.000 3.109 506 T HA 0.417 4.766 4.350 -0.000 0.000 0.311 506 T C -0.910 173.951 174.700 0.268 0.000 1.011 506 T CA -0.540 61.737 62.100 0.295 0.000 1.026 506 T CB 0.855 69.794 68.868 0.118 0.000 1.047 506 T HN 0.165 nan 8.240 nan 0.000 0.448 507 S N 3.066 119.036 115.700 0.451 0.000 2.539 507 S HA 0.459 4.929 4.470 -0.000 0.000 0.235 507 S C -0.802 173.982 174.600 0.306 0.000 1.326 507 S CA -0.512 57.846 58.200 0.262 0.000 1.183 507 S CB 0.323 63.575 63.200 0.087 0.000 1.073 507 S HN 0.662 nan 8.310 nan 0.000 0.480 508 Q N 1.197 121.132 119.800 0.225 0.000 2.496 508 Q HA 0.434 4.774 4.340 -0.000 0.000 0.286 508 Q C 0.502 176.489 176.000 -0.022 0.000 1.103 508 Q CA -0.883 55.006 55.803 0.143 0.000 0.813 508 Q CB 1.425 30.201 28.738 0.063 0.000 1.444 508 Q HN 0.609 nan 8.270 nan 0.000 0.443 509 c N -0.122 118.250 118.600 -0.379 0.000 2.541 509 c HA 0.105 4.674 4.570 -0.000 0.000 0.282 509 c C 1.206 174.881 174.090 -0.691 0.000 1.263 509 c CA 0.712 56.517 56.329 -0.873 0.000 1.709 509 c CB 0.112 42.080 42.510 -0.903 0.000 2.097 509 c HN 0.734 nan 8.230 nan 0.000 0.480 510 S N 0.233 115.367 115.700 -0.944 0.000 2.578 510 S HA 0.442 4.912 4.470 -0.000 0.000 0.301 510 S C -1.040 173.105 174.600 -0.759 0.000 1.091 510 S CA -0.579 57.065 58.200 -0.926 0.000 1.032 510 S CB 0.810 63.242 63.200 -1.278 0.000 1.064 510 S HN 0.510 nan 8.310 nan 0.000 0.508 511 D N 3.287 123.497 120.400 -0.317 0.000 2.362 511 D HA 0.267 4.907 4.640 -0.000 0.000 0.238 511 D C -2.060 174.400 176.300 0.267 0.000 1.212 511 D CA -0.679 53.300 54.000 -0.034 0.000 0.902 511 D CB 0.185 40.980 40.800 -0.009 0.000 1.180 511 D HN 0.393 nan 8.370 nan 0.000 0.445 512 P HA 0.119 nan 4.420 nan 0.000 0.278 512 P C -0.303 177.103 177.300 0.176 0.000 1.238 512 P CA -0.444 62.836 63.100 0.301 0.000 0.794 512 P CB 0.679 32.464 31.700 0.143 0.000 0.955 513 c N 1.619 120.264 118.600 0.074 0.000 2.580 513 c HA 0.474 5.044 4.570 -0.000 0.000 0.371 513 c C 1.261 175.340 174.090 -0.019 0.000 1.308 513 c CA -0.106 56.230 56.329 0.011 0.000 2.428 513 c CB 0.132 42.585 42.510 -0.095 0.000 2.529 513 c HN 0.630 nan 8.230 nan 0.000 0.657 514 A N 3.797 126.605 122.820 -0.019 0.000 2.302 514 A HA 0.423 4.743 4.320 -0.000 0.000 0.295 514 A C -0.741 176.817 177.584 -0.043 0.000 1.235 514 A CA -0.858 51.165 52.037 -0.023 0.000 0.876 514 A CB 0.030 19.021 19.000 -0.014 0.000 1.133 514 A HN 0.791 nan 8.150 nan 0.000 0.533 515 P HA -0.238 nan 4.420 nan 0.000 0.213 515 P C 1.036 178.311 177.300 -0.041 0.000 1.170 515 P CA 1.265 64.334 63.100 -0.051 0.000 0.902 515 P CB -0.052 31.623 31.700 -0.042 0.000 0.789 516 N N -0.059 118.625 118.700 -0.026 0.000 2.200 516 N HA -0.238 4.501 4.740 -0.000 0.000 0.199 516 N C 1.568 177.061 175.510 -0.028 0.000 0.987 516 N CA 1.915 54.955 53.050 -0.016 0.000 0.908 516 N CB -0.099 38.385 38.487 -0.005 0.000 1.035 516 N HN 0.379 nan 8.380 nan 0.000 0.481 517 E N -1.273 118.903 120.200 -0.039 0.000 3.139 517 E HA 0.259 4.608 4.350 -0.000 0.000 0.230 517 E C 0.005 176.563 176.600 -0.071 0.000 1.162 517 E CA -0.350 56.017 56.400 -0.056 0.000 0.976 517 E CB 0.054 29.728 29.700 -0.043 0.000 3.084 517 E HN -0.004 nan 8.360 nan 0.000 0.569 518 M N 1.828 121.392 119.600 -0.060 0.000 2.054 518 M HA -0.136 4.344 4.480 -0.000 0.000 0.323 518 M C -0.105 176.138 176.300 -0.096 0.000 0.853 518 M CA 1.225 56.486 55.300 -0.065 0.000 0.867 518 M CB -0.729 31.847 32.600 -0.039 0.000 1.421 518 M HN 0.177 nan 8.290 nan 0.000 0.433 519 K N 0.792 121.131 120.400 -0.102 0.000 2.469 519 K HA 0.439 4.759 4.320 -0.000 0.000 0.254 519 K C -1.011 175.490 176.600 -0.165 0.000 0.939 519 K CA -0.977 55.225 56.287 -0.141 0.000 0.812 519 K CB 1.657 34.096 32.500 -0.102 0.000 1.301 519 K HN 0.510 nan 8.250 nan 0.000 0.433 520 N N 2.706 121.217 118.700 -0.314 0.000 2.470 520 N HA 0.141 4.880 4.740 -0.000 0.000 0.268 520 N C -0.952 174.518 175.510 -0.066 0.000 1.136 520 N CA 0.146 52.952 53.050 -0.407 0.000 0.961 520 N CB 0.517 38.429 38.487 -0.958 0.000 1.067 520 N HN 0.520 nan 8.380 nan 0.000 0.468 521 M N 2.790 122.424 119.600 0.056 0.000 2.253 521 M HA 0.239 4.719 4.480 -0.000 0.000 0.314 521 M C -0.681 175.745 176.300 0.211 0.000 1.019 521 M CA -0.688 54.699 55.300 0.144 0.000 0.932 521 M CB 1.825 34.484 32.600 0.098 0.000 1.606 521 M HN 0.253 nan 8.290 nan 0.000 0.430 522 Q N 4.053 123.965 119.800 0.187 0.000 2.347 522 Q HA 0.409 4.748 4.340 -0.000 0.000 0.262 522 Q C -1.541 174.515 176.000 0.092 0.000 0.980 522 Q CA -1.299 54.604 55.803 0.166 0.000 0.867 522 Q CB 1.725 30.545 28.738 0.137 0.000 1.242 522 Q HN 0.521 nan 8.270 nan 0.000 0.453 523 P HA 0.052 nan 4.420 nan 0.000 0.209 523 P C 0.496 177.815 177.300 0.031 0.000 1.201 523 P CA 0.890 64.017 63.100 0.046 0.000 0.911 523 P CB 0.493 32.216 31.700 0.038 0.000 0.758 524 G N -0.217 108.601 108.800 0.030 0.000 2.798 524 G HA2 0.053 4.012 3.960 -0.000 0.000 0.202 524 G HA3 0.053 4.012 3.960 -0.000 0.000 0.202 524 G C 0.590 175.506 174.900 0.025 0.000 1.149 524 G CA 0.199 45.311 45.100 0.021 0.000 0.713 524 G HN 0.432 nan 8.290 nan 0.000 0.749 525 D N 0.623 121.041 120.400 0.030 0.000 2.315 525 D HA 0.166 4.805 4.640 -0.000 0.000 0.275 525 D C 1.247 177.582 176.300 0.058 0.000 1.218 525 D CA 0.744 54.766 54.000 0.037 0.000 1.040 525 D CB 0.560 41.379 40.800 0.032 0.000 1.123 525 D HN 0.460 nan 8.370 nan 0.000 0.541 526 V N -4.200 115.758 119.914 0.072 0.000 3.337 526 V HA 0.197 4.317 4.120 -0.000 0.000 0.307 526 V C 1.070 177.258 176.094 0.156 0.000 1.505 526 V CA -0.481 61.882 62.300 0.104 0.000 1.072 526 V CB -0.506 31.362 31.823 0.075 0.000 0.929 526 V HN 0.634 nan 8.190 nan 0.000 0.455 527 c N -0.872 117.805 118.600 0.128 0.000 2.937 527 c HA 0.364 4.934 4.570 -0.000 0.000 0.426 527 c C 1.089 175.189 174.090 0.017 0.000 1.321 527 c CA -0.315 56.092 56.329 0.129 0.000 2.082 527 c CB -0.095 42.457 42.510 0.069 0.000 2.834 527 c HN 0.606 nan 8.230 nan 0.000 0.593 528 c N 2.409 120.978 118.600 -0.052 0.000 2.307 528 c HA 0.625 5.195 4.570 -0.000 0.000 0.340 528 c C -0.177 173.932 174.090 0.031 0.000 1.275 528 c CA -0.647 55.564 56.329 -0.197 0.000 1.811 528 c CB -1.705 40.676 42.510 -0.214 0.000 2.372 528 c HN 0.772 nan 8.230 nan 0.000 0.531 529 W N 3.429 124.699 121.300 -0.050 0.000 3.040 529 W HA 0.855 5.514 4.660 -0.001 0.000 0.344 529 W C -1.271 175.228 176.519 -0.033 0.000 1.201 529 W CA -1.695 55.638 57.345 -0.020 0.000 1.119 529 W CB 0.247 29.708 29.460 0.001 0.000 1.478 529 W HN 0.666 nan 8.180 nan 0.000 0.586 530 I N 0.012 120.807 120.570 0.376 0.000 2.608 530 I HA 0.678 4.848 4.170 -0.000 0.000 0.295 530 I C -1.147 175.128 176.117 0.263 0.000 1.049 530 I CA -1.001 60.436 61.300 0.228 0.000 1.063 530 I CB 1.849 39.909 38.000 0.101 0.000 1.248 530 I HN 0.438 nan 8.210 nan 0.000 0.424 531 c N 6.816 125.533 118.600 0.194 0.000 2.223 531 c HA 0.527 5.097 4.570 -0.000 0.000 0.324 531 c C 0.289 174.405 174.090 0.042 0.000 1.196 531 c CA -0.456 55.941 56.329 0.112 0.000 1.628 531 c CB -0.441 42.140 42.510 0.117 0.000 2.229 531 c HN 0.471 nan 8.230 nan 0.000 0.486 532 I N 7.510 128.087 120.570 0.012 0.000 2.331 532 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 532 I C -1.665 174.429 176.117 -0.037 0.000 0.998 532 I CA -2.535 58.758 61.300 -0.011 0.000 1.267 532 I CB 1.516 39.507 38.000 -0.015 0.000 1.386 532 I HN 0.366 nan 8.210 nan 0.000 0.476 533 P HA 0.272 nan 4.420 nan 0.000 0.278 533 P C -0.731 176.515 177.300 -0.090 0.000 1.258 533 P CA -0.317 62.748 63.100 -0.058 0.000 0.811 533 P CB 1.335 33.011 31.700 -0.041 0.000 1.063 534 c N 0.090 118.617 118.600 -0.122 0.000 2.423 534 c HA 0.442 5.012 4.570 -0.000 0.000 0.378 534 c C 0.412 174.356 174.090 -0.244 0.000 1.244 534 c CA -0.580 55.636 56.329 -0.189 0.000 1.978 534 c CB 0.542 42.922 42.510 -0.217 0.000 2.252 534 c HN 0.487 nan 8.230 nan 0.000 0.526 535 E N 2.496 122.454 120.200 -0.405 0.000 2.259 535 E HA 0.154 4.504 4.350 -0.000 0.000 0.281 535 E C -1.464 174.787 176.600 -0.581 0.000 1.037 535 E CA -2.058 54.019 56.400 -0.539 0.000 0.854 535 E CB 0.609 29.706 29.700 -1.004 0.000 1.051 535 E HN 0.386 nan 8.360 nan 0.000 0.409 536 P HA -0.212 nan 4.420 nan 0.000 0.221 536 P C 0.659 177.388 177.300 -0.952 0.000 1.140 536 P CA 1.430 64.328 63.100 -0.337 0.000 0.797 536 P CB -0.144 31.617 31.700 0.102 0.000 0.756 537 Y N -0.291 119.578 120.300 -0.719 0.000 2.458 537 Y HA 0.381 4.931 4.550 -0.000 0.000 0.256 537 Y C 0.345 175.960 175.900 -0.475 0.000 1.159 537 Y CA -1.340 56.256 58.100 -0.841 0.000 1.261 537 Y CB -0.578 37.697 38.460 -0.310 0.000 1.119 537 Y HN 0.019 nan 8.280 nan 0.000 0.524 538 E N 0.290 120.159 120.200 -0.552 0.000 2.266 538 E HA 0.355 4.705 4.350 -0.000 0.000 0.268 538 E C -1.055 175.401 176.600 -0.241 0.000 0.879 538 E CA -1.225 54.972 56.400 -0.338 0.000 0.762 538 E CB 1.593 31.040 29.700 -0.422 0.000 1.199 538 E HN 0.323 nan 8.360 nan 0.000 0.422 539 Y N 1.238 121.425 120.300 -0.189 0.000 2.684 539 Y HA 0.654 5.204 4.550 -0.000 0.000 0.373 539 Y C -0.822 175.008 175.900 -0.117 0.000 1.291 539 Y CA -1.381 56.631 58.100 -0.148 0.000 1.472 539 Y CB 0.413 38.811 38.460 -0.104 0.000 1.618 539 Y HN 0.335 nan 8.280 nan 0.000 0.674 540 L N 0.750 122.093 121.223 0.200 0.000 2.415 540 L HA 0.371 4.710 4.340 -0.000 0.000 0.268 540 L C 0.543 177.529 176.870 0.193 0.000 0.984 540 L CA -0.555 54.289 54.840 0.006 0.000 0.853 540 L CB 1.442 43.501 42.059 -0.001 0.000 1.215 540 L HN 0.720 nan 8.230 nan 0.000 0.419 541 V N 1.037 120.945 119.914 -0.008 0.000 2.546 541 V HA -0.220 3.899 4.120 -0.000 0.000 0.254 541 V C 0.657 176.838 176.094 0.144 0.000 1.076 541 V CA 2.300 64.723 62.300 0.206 0.000 1.087 541 V CB -0.869 30.979 31.823 0.042 0.000 0.674 541 V HN 1.047 nan 8.190 nan 0.000 0.470 542 D N -3.924 116.526 120.400 0.083 0.000 2.779 542 D HA 0.096 4.736 4.640 -0.000 0.000 0.331 542 D C 0.735 177.040 176.300 0.007 0.000 1.331 542 D CA -0.267 53.779 54.000 0.077 0.000 0.866 542 D CB 0.490 41.375 40.800 0.142 0.000 1.409 542 D HN -0.079 nan 8.370 nan 0.000 0.486 543 E N -0.884 119.268 120.200 -0.081 0.000 2.097 543 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 543 E C 1.043 177.378 176.600 -0.442 0.000 1.000 543 E CA 1.603 57.776 56.400 -0.379 0.000 0.804 543 E CB -0.160 29.098 29.700 -0.737 0.000 0.740 543 E HN 0.476 nan 8.360 nan 0.000 0.454 544 F N -0.152 119.721 119.950 -0.128 0.000 2.619 544 F HA 0.154 4.681 4.527 -0.000 0.000 0.293 544 F C 1.008 176.746 175.800 -0.103 0.000 1.119 544 F CA 0.282 58.208 58.000 -0.123 0.000 1.445 544 F CB 0.100 39.034 39.000 -0.110 0.000 1.119 544 F HN -0.256 nan 8.300 nan 0.000 0.573 545 T N 1.216 115.834 114.554 0.106 0.000 2.770 545 T HA 0.235 4.585 4.350 -0.000 0.000 0.297 545 T C -0.671 173.976 174.700 -0.089 0.000 0.997 545 T CA -0.428 61.673 62.100 0.002 0.000 0.949 545 T CB 0.801 69.667 68.868 -0.004 0.000 0.941 545 T HN 0.029 nan 8.240 nan 0.000 0.457 546 c N 6.192 124.720 118.600 -0.122 0.000 2.256 546 c HA 0.536 5.106 4.570 -0.000 0.000 0.333 546 c C 0.435 174.366 174.090 -0.265 0.000 1.183 546 c CA -0.698 55.515 56.329 -0.194 0.000 1.692 546 c CB -1.433 40.973 42.510 -0.174 0.000 2.274 546 c HN 0.857 nan 8.230 nan 0.000 0.509 547 M N 4.234 123.566 119.600 -0.448 0.000 2.300 547 M HA 0.315 4.795 4.480 -0.000 0.000 0.348 547 M C -0.165 175.834 176.300 -0.501 0.000 1.151 547 M CA -0.303 54.696 55.300 -0.502 0.000 1.046 547 M CB 0.975 33.181 32.600 -0.656 0.000 1.647 547 M HN 0.756 nan 8.290 nan 0.000 0.451 548 D N 2.623 122.882 120.400 -0.236 0.000 2.382 548 D HA 0.077 4.717 4.640 -0.000 0.000 0.245 548 D C 0.360 176.658 176.300 -0.003 0.000 1.120 548 D CA -0.197 53.771 54.000 -0.054 0.000 0.890 548 D CB 1.105 41.986 40.800 0.136 0.000 1.201 548 D HN 0.678 nan 8.370 nan 0.000 0.433 549 c N 2.928 121.582 118.600 0.091 0.000 2.476 549 c HA 0.463 5.033 4.570 -0.000 0.000 0.278 549 c C 1.524 175.673 174.090 0.098 0.000 1.274 549 c CA 0.926 57.337 56.329 0.136 0.000 1.713 549 c CB -1.577 40.987 42.510 0.091 0.000 2.039 549 c HN 0.950 nan 8.230 nan 0.000 0.484 550 G N 0.234 109.085 108.800 0.085 0.000 2.341 550 G HA2 0.004 3.964 3.960 -0.000 0.000 0.196 550 G HA3 0.004 3.964 3.960 -0.000 0.000 0.196 550 G C -2.832 172.069 174.900 0.001 0.000 1.231 550 G CA -0.272 44.845 45.100 0.028 0.000 1.155 550 G HN 0.225 nan 8.290 nan 0.000 0.529 551 P HA 0.447 nan 4.420 nan 0.000 0.286 551 P C 0.768 178.078 177.300 0.017 0.000 1.269 551 P CA 1.339 64.437 63.100 -0.004 0.000 0.787 551 P CB 0.817 32.513 31.700 -0.007 0.000 0.920 552 G N 2.391 111.202 108.800 0.019 0.000 2.341 552 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.292 552 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.292 552 G C -0.113 174.810 174.900 0.039 0.000 1.021 552 G CA 0.211 45.325 45.100 0.025 0.000 0.905 552 G HN 0.708 nan 8.290 nan 0.000 0.508 553 Q N -2.069 117.771 119.800 0.067 0.000 2.553 553 Q HA 0.693 5.033 4.340 -0.000 0.000 0.293 553 Q C -0.961 175.133 176.000 0.156 0.000 1.038 553 Q CA -1.060 54.777 55.803 0.057 0.000 0.777 553 Q CB 2.317 31.080 28.738 0.042 0.000 1.487 553 Q HN 0.366 nan 8.270 nan 0.000 0.426 554 W N 2.158 123.248 121.300 -0.350 0.000 3.217 554 W HA 0.386 5.046 4.660 -0.000 0.000 0.323 554 W C -2.969 173.338 176.519 -0.354 0.000 1.216 554 W CA -1.793 55.308 57.345 -0.406 0.000 1.194 554 W CB 2.147 31.175 29.460 -0.720 0.000 1.397 554 W HN 0.417 nan 8.180 nan 0.000 0.537 555 P HA 0.080 nan 4.420 nan 0.000 0.285 555 P C 0.311 177.616 177.300 0.008 0.000 1.259 555 P CA 0.299 63.267 63.100 -0.220 0.000 0.794 555 P CB 1.548 33.077 31.700 -0.285 0.000 0.940 556 T N 0.362 115.008 114.554 0.152 0.000 2.716 556 T HA 0.051 4.401 4.350 -0.000 0.000 0.335 556 T C 1.703 176.505 174.700 0.169 0.000 1.081 556 T CA 0.254 62.508 62.100 0.257 0.000 1.073 556 T CB -0.151 68.791 68.868 0.124 0.000 0.993 556 T HN 0.457 nan 8.240 nan 0.000 0.547 557 A N 1.561 124.473 122.820 0.154 0.000 1.883 557 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 557 A C 1.941 179.558 177.584 0.055 0.000 1.186 557 A CA 2.096 54.198 52.037 0.108 0.000 0.624 557 A CB -1.306 17.737 19.000 0.071 0.000 0.822 557 A HN 1.051 nan 8.150 nan 0.000 0.444 558 D N -2.141 118.279 120.400 0.032 0.000 2.347 558 D HA 0.156 4.795 4.640 -0.000 0.000 0.215 558 D C 0.241 176.542 176.300 0.001 0.000 0.976 558 D CA 0.382 54.387 54.000 0.008 0.000 0.884 558 D CB -0.224 40.575 40.800 -0.003 0.000 0.915 558 D HN 0.141 nan 8.370 nan 0.000 0.526 559 L N 0.138 121.367 121.223 0.010 0.000 3.487 559 L HA -0.184 4.156 4.340 -0.000 0.000 0.450 559 L C 0.953 177.841 176.870 0.029 0.000 1.290 559 L CA 0.837 55.685 54.840 0.013 0.000 0.874 559 L CB -2.700 39.355 42.059 -0.006 0.000 1.804 559 L HN 0.381 nan 8.230 nan 0.000 0.831 560 S N -3.037 112.645 115.700 -0.031 0.000 2.578 560 S HA 0.741 5.211 4.470 -0.000 0.000 0.228 560 S C 0.791 175.197 174.600 -0.324 0.000 1.022 560 S CA 0.333 58.473 58.200 -0.101 0.000 0.967 560 S CB 1.612 64.769 63.200 -0.073 0.000 0.914 560 S HN 0.982 nan 8.310 nan 0.000 0.515 561 G N -0.234 108.386 108.800 -0.300 0.000 2.554 561 G HA2 0.496 4.456 3.960 -0.000 0.000 0.306 561 G HA3 0.496 4.456 3.960 -0.000 0.000 0.306 561 G C -1.844 172.950 174.900 -0.177 0.000 1.320 561 G CA -0.430 44.427 45.100 -0.404 0.000 0.800 561 G HN 0.384 nan 8.290 nan 0.000 0.481 562 c N 0.360 118.897 118.600 -0.105 0.000 2.441 562 c HA 0.678 5.248 4.570 -0.000 0.000 0.318 562 c C -0.932 173.206 174.090 0.080 0.000 1.222 562 c CA -1.004 55.321 56.329 -0.007 0.000 1.474 562 c CB -0.227 42.290 42.510 0.011 0.000 2.125 562 c HN 0.718 nan 8.230 nan 0.000 0.479 563 Y N 1.384 121.738 120.300 0.090 0.000 2.369 563 Y HA 0.442 4.992 4.550 -0.000 0.000 0.337 563 Y C 0.135 176.099 175.900 0.107 0.000 0.961 563 Y CA -1.130 57.021 58.100 0.086 0.000 1.186 563 Y CB -0.096 38.417 38.460 0.089 0.000 1.139 563 Y HN 0.606 nan 8.280 nan 0.000 0.494 564 N N 5.744 124.551 118.700 0.178 0.000 2.315 564 N HA -0.040 4.700 4.740 -0.000 0.000 0.270 564 N C -0.562 175.043 175.510 0.158 0.000 1.329 564 N CA 0.654 53.774 53.050 0.117 0.000 0.860 564 N CB 0.694 39.235 38.487 0.091 0.000 1.095 564 N HN 0.724 nan 8.380 nan 0.000 0.487 565 L N 4.514 125.793 121.223 0.094 0.000 2.350 565 L HA 0.285 4.624 4.340 -0.000 0.000 0.275 565 L C -0.529 176.376 176.870 0.059 0.000 1.099 565 L CA -1.258 53.639 54.840 0.096 0.000 0.808 565 L CB 0.671 42.743 42.059 0.022 0.000 1.149 565 L HN 0.442 nan 8.230 nan 0.000 0.442 566 P HA 0.151 nan 4.420 nan 0.000 0.258 566 P C -0.234 177.072 177.300 0.011 0.000 1.251 566 P CA -0.003 63.114 63.100 0.029 0.000 0.694 566 P CB 0.313 32.030 31.700 0.029 0.000 1.439 567 E N 0.000 120.201 120.200 0.002 0.000 2.725 567 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 567 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 567 E CB 0.000 29.689 29.700 -0.018 0.000 0.812 567 E HN 0.000 nan 8.360 nan 0.000 0.440