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 3f73_1_A DATA FIRST_RESID 5 DATA SEQUENCE GKTEVFLNRF ALRPLNPEEL RPWRLEVVLD PPPGREEVYP LLAQVARRAG DATA SEQUENCE GVTVRMGDGL ASWSPPEVLV LEGTLARMGQ TYAYRLYPKG RRPLDPKDPG DATA SEQUENCE ERSVLSALAR RLLQERLRRL EGVWVEGLAV YRREHARGPG WRVLGGAVLD DATA SEQUENCE LWVSDSGAFL LEVDPAYRIL CEMSLEAWLA QGHPLPKRVR NAYDRRTWEL DATA SEQUENCE LRLGEEDPKE LPLPGGLSLL DYHASKGRLQ GREGGRVAWV ADPKDPRKPI DATA SEQUENCE PHLTGLLVPV LTLEDLHEEE GSLALSLPWE ERRRRTREIA SWIGRRLGLG DATA SEQUENCE TPEAVRAQAY RLSIPKLMGR RAVSKPADAL RVGFYRAQET ALALLRLDGA DATA SEQUENCE QGWPEFLRRA LLRAFGASGA SLRLHTLHAH PSQGLAFREA LRKAKEEGVQ DATA SEQUENCE AVLVLTPPMA WEDRNRLKAL LLREGLPSQI LNVPLREEER HRWENALLGL DATA SEQUENCE LAKAGLQVVA LSGAYPAELA VGFDAGGRES FRFGGAACAV GGXGGHLLWT DATA SEQUENCE LPEAQAGERI PQEVVWDLLE ETLWAFRRKA GRLPSRVLLL RDGRVPQDEF DATA SEQUENCE ALALEALARE GIAYDLVSVR KSGGGRVYPV QGRLADGLYV PLEDKTFLLL DATA SEQUENCE TVHRXXRGTP RPLKLVHEAG DTPLEALAHQ IFHLTRLYPA SGFAFPRLPA DATA SEQUENCE PLHLADRLVK EVGRLGIRHL KEVDREKLFF V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 5 G C 0.000 174.984 174.900 0.140 0.000 0.946 5 G CA 0.000 45.168 45.100 0.113 0.000 0.502 6 K N 0.852 121.310 120.400 0.095 0.000 2.126 6 K HA 0.832 5.150 4.320 -0.003 0.000 0.257 6 K C -0.042 176.496 176.600 -0.104 0.000 1.007 6 K CA -0.211 56.056 56.287 -0.034 0.000 0.928 6 K CB 1.376 33.846 32.500 -0.050 0.000 1.013 6 K HN 0.390 nan 8.250 nan 0.000 0.473 7 T N 0.365 114.795 114.554 -0.208 0.000 2.733 7 T HA 0.169 4.517 4.350 -0.003 0.000 0.312 7 T C -1.668 172.874 174.700 -0.262 0.000 1.590 7 T CA -1.126 60.860 62.100 -0.189 0.000 1.005 7 T CB 1.602 70.375 68.868 -0.159 0.000 1.528 7 T HN 0.723 nan 8.240 nan 0.000 0.496 8 E N -0.149 119.901 120.200 -0.250 0.000 2.288 8 E HA 0.793 5.142 4.350 -0.003 0.000 0.268 8 E C -0.855 175.540 176.600 -0.343 0.000 0.885 8 E CA -1.096 55.125 56.400 -0.299 0.000 0.767 8 E CB 2.192 31.722 29.700 -0.284 0.000 1.220 8 E HN 0.559 nan 8.360 nan 0.000 0.427 9 V N -1.223 118.476 119.914 -0.359 0.000 3.155 9 V HA 0.675 4.793 4.120 -0.003 0.000 0.313 9 V C -1.147 174.707 176.094 -0.400 0.000 1.162 9 V CA -1.053 61.034 62.300 -0.355 0.000 1.048 9 V CB 1.375 33.066 31.823 -0.220 0.000 1.092 9 V HN 0.635 nan 8.190 nan 0.000 0.447 10 F N 1.333 121.255 119.950 -0.047 0.000 2.444 10 F HA 0.758 5.284 4.527 -0.003 0.000 0.342 10 F C 0.053 175.807 175.800 -0.077 0.000 1.121 10 F CA -1.073 56.915 58.000 -0.021 0.000 0.997 10 F CB 1.524 40.585 39.000 0.101 0.000 1.130 10 F HN 0.383 nan 8.300 nan 0.000 0.454 11 L N 2.618 123.903 121.223 0.103 0.000 2.375 11 L HA 0.383 4.721 4.340 -0.003 0.000 0.268 11 L C 0.689 177.507 176.870 -0.087 0.000 1.058 11 L CA -0.884 53.935 54.840 -0.036 0.000 0.803 11 L CB 1.087 43.129 42.059 -0.028 0.000 1.212 11 L HN 0.626 nan 8.230 nan 0.000 0.451 12 N N 0.923 119.594 118.700 -0.048 0.000 2.906 12 N HA 0.093 4.832 4.740 -0.003 0.000 0.282 12 N C -0.474 175.011 175.510 -0.041 0.000 1.293 12 N CA -0.273 52.808 53.050 0.051 0.000 1.059 12 N CB 0.093 38.677 38.487 0.162 0.000 1.388 12 N HN 0.511 nan 8.380 nan 0.000 0.533 13 R N 0.779 121.064 120.500 -0.359 0.000 2.628 13 R HA 0.416 4.754 4.340 -0.003 0.000 0.288 13 R C -1.460 174.432 176.300 -0.680 0.000 0.980 13 R CA -0.654 55.271 56.100 -0.291 0.000 0.891 13 R CB 1.383 31.632 30.300 -0.084 0.000 1.188 13 R HN 0.111 nan 8.270 nan 0.000 0.450 14 F N 0.760 120.676 119.950 -0.058 0.000 2.529 14 F HA 0.545 5.070 4.527 -0.003 0.000 0.320 14 F C 0.342 176.099 175.800 -0.072 0.000 1.118 14 F CA -0.953 57.017 58.000 -0.050 0.000 0.915 14 F CB 1.948 40.916 39.000 -0.054 0.000 1.161 14 F HN 0.525 nan 8.300 nan 0.000 0.445 15 A N 3.987 126.869 122.820 0.103 0.000 2.322 15 A HA 0.865 5.183 4.320 -0.003 0.000 0.269 15 A C -0.681 176.953 177.584 0.084 0.000 1.094 15 A CA -0.217 51.857 52.037 0.062 0.000 0.807 15 A CB 0.555 19.583 19.000 0.048 0.000 1.047 15 A HN 0.841 nan 8.150 nan 0.000 0.487 16 L N 0.359 121.635 121.223 0.089 0.000 2.389 16 L HA 0.537 4.876 4.340 -0.003 0.000 0.249 16 L C 0.590 177.538 176.870 0.130 0.000 1.083 16 L CA -1.205 53.702 54.840 0.111 0.000 0.876 16 L CB 1.040 43.176 42.059 0.129 0.000 1.489 16 L HN 0.865 nan 8.230 nan 0.000 0.412 17 R N 1.433 122.023 120.500 0.151 0.000 2.583 17 R HA 0.085 4.423 4.340 -0.003 0.000 0.274 17 R C -2.533 173.792 176.300 0.041 0.000 0.998 17 R CA -0.744 55.420 56.100 0.107 0.000 1.081 17 R CB 0.456 30.824 30.300 0.113 0.000 0.940 17 R HN 0.171 nan 8.270 nan 0.000 0.413 18 P HA 0.044 nan 4.420 nan 0.000 0.274 18 P C -0.762 176.396 177.300 -0.236 0.000 1.231 18 P CA -0.451 62.554 63.100 -0.159 0.000 0.790 18 P CB 0.422 32.068 31.700 -0.090 0.000 0.951 19 L N 2.839 123.846 121.223 -0.360 0.000 2.565 19 L HA 0.054 4.392 4.340 -0.003 0.000 0.275 19 L C 1.104 177.867 176.870 -0.180 0.000 1.137 19 L CA 0.407 55.042 54.840 -0.342 0.000 0.915 19 L CB -1.654 40.211 42.059 -0.323 0.000 1.232 19 L HN 0.416 nan 8.230 nan 0.000 0.473 20 N N 6.093 124.703 118.700 -0.149 0.000 2.307 20 N HA 0.039 4.777 4.740 -0.003 0.000 0.230 20 N C -1.617 173.831 175.510 -0.103 0.000 1.297 20 N CA -0.866 52.120 53.050 -0.106 0.000 0.884 20 N CB -0.155 38.278 38.487 -0.091 0.000 1.115 20 N HN 0.311 nan 8.380 nan 0.000 0.436 21 P HA -0.330 nan 4.420 nan 0.000 0.219 21 P C 1.156 178.412 177.300 -0.073 0.000 1.158 21 P CA 3.015 66.076 63.100 -0.065 0.000 0.895 21 P CB -0.385 31.281 31.700 -0.055 0.000 0.792 22 E N 1.248 121.395 120.200 -0.088 0.000 2.013 22 E HA -0.274 4.074 4.350 -0.003 0.000 0.202 22 E C 1.992 178.525 176.600 -0.112 0.000 1.018 22 E CA 2.195 58.540 56.400 -0.093 0.000 0.834 22 E CB -1.833 27.808 29.700 -0.098 0.000 0.770 22 E HN 0.513 nan 8.360 nan 0.000 0.459 23 E N 0.000 120.047 120.200 -0.256 0.000 2.219 23 E HA -0.102 4.246 4.350 -0.003 0.000 0.198 23 E C 2.475 179.106 176.600 0.052 0.000 0.998 23 E CA 1.412 57.578 56.400 -0.391 0.000 0.818 23 E CB -0.607 28.707 29.700 -0.644 0.000 0.741 23 E HN 0.566 nan 8.360 nan 0.000 0.477 24 L N 0.674 121.892 121.223 -0.007 0.000 2.083 24 L HA 0.004 4.342 4.340 -0.003 0.000 0.209 24 L C 1.624 178.542 176.870 0.079 0.000 1.083 24 L CA 1.696 56.556 54.840 0.035 0.000 0.752 24 L CB -0.854 41.194 42.059 -0.018 0.000 0.899 24 L HN -0.003 nan 8.230 nan 0.000 0.433 25 R N 0.824 121.361 120.500 0.061 0.000 2.412 25 R HA 0.384 4.723 4.340 -0.003 0.000 0.304 25 R C -2.740 173.610 176.300 0.084 0.000 1.066 25 R CA -1.794 54.334 56.100 0.047 0.000 0.923 25 R CB 1.630 31.909 30.300 -0.035 0.000 1.156 25 R HN 0.400 nan 8.270 nan 0.000 0.513 26 P HA 0.024 nan 4.420 nan 0.000 0.274 26 P C -0.687 176.720 177.300 0.179 0.000 1.256 26 P CA -0.331 62.945 63.100 0.294 0.000 0.795 26 P CB 0.797 32.628 31.700 0.218 0.000 1.038 27 W N 0.614 121.988 121.300 0.123 0.000 2.261 27 W HA 0.423 5.082 4.660 -0.003 0.000 0.323 27 W C 1.267 177.815 176.519 0.047 0.000 1.243 27 W CA 0.079 57.472 57.345 0.079 0.000 1.210 27 W CB 0.608 30.114 29.460 0.078 0.000 1.149 27 W HN 0.305 nan 8.180 nan 0.000 0.562 28 R N 2.578 123.253 120.500 0.292 0.000 2.711 28 R HA 0.802 5.141 4.340 -0.003 0.000 0.284 28 R C -1.655 174.755 176.300 0.184 0.000 0.968 28 R CA -0.669 55.537 56.100 0.176 0.000 0.924 28 R CB 0.913 31.279 30.300 0.110 0.000 1.162 28 R HN 0.587 nan 8.270 nan 0.000 0.465 29 L N 2.079 123.373 121.223 0.119 0.000 2.431 29 L HA 0.424 4.763 4.340 -0.003 0.000 0.266 29 L C -0.645 176.278 176.870 0.088 0.000 0.978 29 L CA -0.770 54.134 54.840 0.108 0.000 0.822 29 L CB 2.367 44.461 42.059 0.060 0.000 1.310 29 L HN 0.642 nan 8.230 nan 0.000 0.409 30 E N 1.450 121.735 120.200 0.142 0.000 2.349 30 E HA 0.522 4.870 4.350 -0.003 0.000 0.265 30 E C -1.104 175.567 176.600 0.119 0.000 1.064 30 E CA -0.673 55.821 56.400 0.156 0.000 0.886 30 E CB 2.004 31.860 29.700 0.260 0.000 1.036 30 E HN 0.214 nan 8.360 nan 0.000 0.413 31 V N 2.554 122.516 119.914 0.081 0.000 2.443 31 V HA 0.209 4.327 4.120 -0.003 0.000 0.293 31 V C -0.436 175.702 176.094 0.073 0.000 1.021 31 V CA -0.883 61.435 62.300 0.029 0.000 0.848 31 V CB 1.407 33.211 31.823 -0.033 0.000 0.998 31 V HN 0.511 nan 8.190 nan 0.000 0.424 32 V N 4.359 124.329 119.914 0.094 0.000 2.398 32 V HA 0.752 4.871 4.120 -0.003 0.000 0.286 32 V C -0.505 175.654 176.094 0.109 0.000 1.026 32 V CA -0.494 61.887 62.300 0.135 0.000 0.868 32 V CB 1.422 33.390 31.823 0.241 0.000 0.982 32 V HN 0.638 nan 8.190 nan 0.000 0.443 33 L N 3.791 125.079 121.223 0.108 0.000 2.334 33 L HA 0.756 5.095 4.340 -0.003 0.000 0.270 33 L C -0.407 176.549 176.870 0.143 0.000 1.018 33 L CA -0.376 54.546 54.840 0.137 0.000 0.811 33 L CB 1.944 44.075 42.059 0.120 0.000 1.271 33 L HN 0.824 nan 8.230 nan 0.000 0.443 34 D N 1.786 122.294 120.400 0.180 0.000 2.891 34 D HA 0.279 4.917 4.640 -0.003 0.000 0.224 34 D C -2.867 173.494 176.300 0.102 0.000 1.321 34 D CA -1.147 52.926 54.000 0.121 0.000 0.929 34 D CB 3.150 43.992 40.800 0.069 0.000 1.551 34 D HN 0.090 nan 8.370 nan 0.000 0.574 35 P HA 0.314 nan 4.420 nan 0.000 0.274 35 P C -2.670 174.707 177.300 0.129 0.000 1.256 35 P CA -1.318 61.804 63.100 0.036 0.000 0.795 35 P CB -0.352 31.329 31.700 -0.032 0.000 1.038 36 P HA 0.059 nan 4.420 nan 0.000 0.261 36 P C -1.992 175.408 177.300 0.166 0.000 1.173 36 P CA 0.097 63.268 63.100 0.118 0.000 0.760 36 P CB -0.983 30.764 31.700 0.079 0.000 0.783 37 P HA 0.254 nan 4.420 nan 0.000 0.337 37 P C 0.454 177.825 177.300 0.118 0.000 1.340 37 P CA -0.181 63.021 63.100 0.169 0.000 0.764 37 P CB 0.437 32.167 31.700 0.050 0.000 1.718 38 G N -2.395 106.461 108.800 0.092 0.000 3.356 38 G HA2 0.521 4.480 3.960 -0.003 0.000 0.178 38 G HA3 0.521 4.480 3.960 -0.003 0.000 0.178 38 G C 0.458 175.407 174.900 0.082 0.000 1.175 38 G CA 0.192 45.342 45.100 0.083 0.000 0.840 38 G HN 0.465 nan 8.290 nan 0.000 0.658 39 R N -1.481 119.066 120.500 0.078 0.000 2.544 39 R HA 0.642 4.980 4.340 -0.003 0.000 0.303 39 R C 1.423 177.765 176.300 0.071 0.000 0.939 39 R CA 1.620 57.769 56.100 0.083 0.000 1.102 39 R CB -0.536 29.796 30.300 0.053 0.000 1.440 39 R HN 0.783 nan 8.270 nan 0.000 0.532 40 E N -0.784 119.454 120.200 0.063 0.000 2.453 40 E HA 0.305 4.654 4.350 -0.003 0.000 0.211 40 E C 1.564 178.198 176.600 0.058 0.000 0.897 40 E CA 0.975 57.404 56.400 0.048 0.000 1.063 40 E CB 0.218 29.939 29.700 0.035 0.000 1.080 40 E HN 0.725 nan 8.360 nan 0.000 0.512 41 E N 0.023 120.258 120.200 0.059 0.000 2.460 41 E HA 0.427 4.775 4.350 -0.003 0.000 0.200 41 E C 2.095 178.694 176.600 -0.002 0.000 1.011 41 E CA 0.798 57.215 56.400 0.027 0.000 0.912 41 E CB -0.332 29.391 29.700 0.039 0.000 0.953 41 E HN 0.533 nan 8.360 nan 0.000 0.494 42 V N -0.324 119.626 119.914 0.059 0.000 2.220 42 V HA -0.278 3.840 4.120 -0.003 0.000 0.246 42 V C 2.226 178.309 176.094 -0.018 0.000 1.049 42 V CA 2.350 64.670 62.300 0.033 0.000 1.003 42 V CB -0.644 31.257 31.823 0.131 0.000 0.634 42 V HN 0.636 nan 8.190 nan 0.000 0.444 43 Y N 0.782 121.051 120.300 -0.052 0.000 2.242 43 Y HA 0.047 4.595 4.550 -0.003 0.000 0.291 43 Y C -0.002 175.857 175.900 -0.069 0.000 1.137 43 Y CA 1.567 59.635 58.100 -0.054 0.000 1.181 43 Y CB -2.066 36.371 38.460 -0.037 0.000 0.989 43 Y HN 0.416 nan 8.280 nan 0.000 0.527 44 P HA -0.079 nan 4.420 nan 0.000 0.234 44 P C 1.173 178.429 177.300 -0.074 0.000 1.167 44 P CA 1.241 64.342 63.100 0.002 0.000 0.763 44 P CB 0.025 31.729 31.700 0.007 0.000 0.835 45 L N -1.806 119.342 121.223 -0.125 0.000 2.189 45 L HA 0.010 4.349 4.340 -0.003 0.000 0.199 45 L C 2.217 178.962 176.870 -0.208 0.000 1.074 45 L CA 0.631 55.343 54.840 -0.212 0.000 0.783 45 L CB -0.792 41.084 42.059 -0.305 0.000 0.955 45 L HN -0.108 nan 8.230 nan 0.000 0.460 46 L N 0.282 121.377 121.223 -0.213 0.000 2.021 46 L HA -0.292 4.046 4.340 -0.003 0.000 0.215 46 L C 2.803 179.561 176.870 -0.186 0.000 1.074 46 L CA 1.561 56.268 54.840 -0.223 0.000 0.760 46 L CB -0.961 40.938 42.059 -0.266 0.000 0.889 46 L HN 0.299 nan 8.230 nan 0.000 0.433 47 A N -0.757 121.980 122.820 -0.140 0.000 2.084 47 A HA -0.287 4.031 4.320 -0.003 0.000 0.221 47 A C 2.285 179.797 177.584 -0.120 0.000 1.161 47 A CA 2.095 54.068 52.037 -0.106 0.000 0.653 47 A CB -0.513 18.450 19.000 -0.063 0.000 0.802 47 A HN 0.604 nan 8.150 nan 0.000 0.457 48 Q N -0.764 118.949 119.800 -0.145 0.000 2.250 48 Q HA -0.002 4.337 4.340 -0.003 0.000 0.200 48 Q C 1.775 177.645 176.000 -0.217 0.000 0.941 48 Q CA 1.032 56.747 55.803 -0.148 0.000 0.872 48 Q CB -0.012 28.646 28.738 -0.133 0.000 0.965 48 Q HN 0.362 nan 8.270 nan 0.000 0.480 49 V N 1.318 121.055 119.914 -0.295 0.000 2.295 49 V HA -0.272 3.847 4.120 -0.003 0.000 0.246 49 V C 2.401 178.267 176.094 -0.379 0.000 1.049 49 V CA 1.922 63.932 62.300 -0.483 0.000 1.024 49 V CB -1.042 30.489 31.823 -0.486 0.000 0.648 49 V HN 0.522 nan 8.190 nan 0.000 0.447 50 A N -0.476 122.196 122.820 -0.246 0.000 2.024 50 A HA -0.230 4.088 4.320 -0.003 0.000 0.220 50 A C 2.281 179.780 177.584 -0.141 0.000 1.164 50 A CA 1.862 53.795 52.037 -0.173 0.000 0.643 50 A CB -0.437 18.483 19.000 -0.134 0.000 0.806 50 A HN 0.436 nan 8.150 nan 0.000 0.451 51 R N -0.456 119.959 120.500 -0.141 0.000 2.062 51 R HA 0.111 4.449 4.340 -0.003 0.000 0.226 51 R C 2.246 178.492 176.300 -0.089 0.000 1.125 51 R CA 1.342 57.383 56.100 -0.099 0.000 0.966 51 R CB -0.423 29.827 30.300 -0.083 0.000 0.861 51 R HN 0.517 nan 8.270 nan 0.000 0.433 52 R N -0.265 120.163 120.500 -0.120 0.000 2.148 52 R HA 0.078 4.416 4.340 -0.003 0.000 0.223 52 R C 1.939 178.218 176.300 -0.034 0.000 1.088 52 R CA 1.007 57.070 56.100 -0.063 0.000 0.985 52 R CB -0.186 30.090 30.300 -0.041 0.000 0.880 52 R HN 0.179 nan 8.270 nan 0.000 0.451 53 A N 1.069 123.829 122.820 -0.100 0.000 2.019 53 A HA 0.086 4.404 4.320 -0.003 0.000 0.219 53 A C 1.128 178.694 177.584 -0.029 0.000 1.164 53 A CA 1.237 53.249 52.037 -0.042 0.000 0.644 53 A CB -0.503 18.439 19.000 -0.097 0.000 0.805 53 A HN 0.474 nan 8.150 nan 0.000 0.449 54 G N -2.867 105.907 108.800 -0.043 0.000 2.828 54 G HA2 0.402 4.360 3.960 -0.003 0.000 0.463 54 G HA3 0.402 4.360 3.960 -0.003 0.000 0.463 54 G C 0.943 175.825 174.900 -0.031 0.000 1.394 54 G CA 0.141 45.223 45.100 -0.031 0.000 0.862 54 G HN 2.521 nan 8.290 nan 0.000 0.540 55 G N -2.602 106.187 108.800 -0.018 0.000 2.693 55 G HA2 0.190 4.149 3.960 -0.003 0.000 0.226 55 G HA3 0.190 4.149 3.960 -0.003 0.000 0.226 55 G C 0.091 174.996 174.900 0.008 0.000 1.354 55 G CA 0.337 45.435 45.100 -0.002 0.000 0.873 55 G HN 2.073 nan 8.290 nan 0.000 0.562 56 V N 2.299 122.240 119.914 0.046 0.000 2.174 56 V HA 0.559 4.677 4.120 -0.003 0.000 0.259 56 V C 0.923 177.015 176.094 -0.003 0.000 1.261 56 V CA 0.766 63.099 62.300 0.055 0.000 1.137 56 V CB -0.245 31.695 31.823 0.194 0.000 1.290 56 V HN 1.365 nan 8.190 nan 0.000 0.486 57 T N 1.361 115.885 114.554 -0.050 0.000 2.876 57 T HA 0.831 5.180 4.350 -0.003 0.000 0.289 57 T C -0.667 173.971 174.700 -0.103 0.000 1.014 57 T CA -0.592 61.461 62.100 -0.078 0.000 0.986 57 T CB 2.059 70.889 68.868 -0.064 0.000 1.021 57 T HN 0.497 nan 8.240 nan 0.000 0.458 58 V N 0.520 120.362 119.914 -0.120 0.000 3.102 58 V HA 0.714 4.833 4.120 -0.003 0.000 0.312 58 V C -0.124 175.911 176.094 -0.097 0.000 1.135 58 V CA -1.630 60.602 62.300 -0.113 0.000 1.022 58 V CB 1.907 33.651 31.823 -0.132 0.000 1.056 58 V HN 1.163 nan 8.190 nan 0.000 0.436 59 R N 2.335 122.782 120.500 -0.088 0.000 2.316 59 R HA 0.448 4.786 4.340 -0.003 0.000 0.314 59 R C -0.425 175.839 176.300 -0.060 0.000 1.069 59 R CA -0.323 55.724 56.100 -0.087 0.000 0.959 59 R CB 0.655 30.899 30.300 -0.092 0.000 0.987 59 R HN 0.964 nan 8.270 nan 0.000 0.446 60 M N 6.373 125.940 119.600 -0.055 0.000 2.561 60 M HA 0.170 4.648 4.480 -0.003 0.000 0.266 60 M C 0.287 176.581 176.300 -0.011 0.000 1.080 60 M CA 0.371 55.655 55.300 -0.026 0.000 0.993 60 M CB 0.538 33.127 32.600 -0.019 0.000 1.303 60 M HN 1.010 nan 8.290 nan 0.000 0.462 61 G N 2.975 111.785 108.800 0.016 0.000 2.595 61 G HA2 -0.381 3.577 3.960 -0.003 0.000 0.297 61 G HA3 -0.381 3.577 3.960 -0.003 0.000 0.297 61 G C 0.260 175.128 174.900 -0.053 0.000 1.181 61 G CA 0.461 45.601 45.100 0.066 0.000 0.963 61 G HN 0.678 nan 8.290 nan 0.000 0.541 62 D N 1.637 122.016 120.400 -0.035 0.000 2.084 62 D HA 0.155 4.793 4.640 -0.003 0.000 0.194 62 D C 1.711 177.924 176.300 -0.145 0.000 0.990 62 D CA 2.236 56.178 54.000 -0.096 0.000 0.826 62 D CB -0.921 39.871 40.800 -0.013 0.000 0.971 62 D HN 1.030 nan 8.370 nan 0.000 0.453 63 G N 0.211 108.963 108.800 -0.080 0.000 3.008 63 G HA2 0.599 4.558 3.960 -0.003 0.000 0.181 63 G HA3 0.599 4.558 3.960 -0.003 0.000 0.181 63 G C -0.323 174.529 174.900 -0.081 0.000 1.309 63 G CA -0.552 44.503 45.100 -0.075 0.000 1.009 63 G HN 0.245 nan 8.290 nan 0.000 0.584 64 L N -2.473 118.716 121.223 -0.057 0.000 2.354 64 L HA 0.918 5.256 4.340 -0.003 0.000 0.264 64 L C -0.365 176.493 176.870 -0.020 0.000 1.008 64 L CA -1.114 53.690 54.840 -0.060 0.000 0.819 64 L CB 1.519 43.524 42.059 -0.090 0.000 1.339 64 L HN 0.682 nan 8.230 nan 0.000 0.420 65 A N 1.290 124.091 122.820 -0.032 0.000 2.311 65 A HA 0.829 5.147 4.320 -0.003 0.000 0.334 65 A C -0.345 177.225 177.584 -0.023 0.000 1.139 65 A CA -0.501 51.534 52.037 -0.004 0.000 0.830 65 A CB 1.665 20.643 19.000 -0.037 0.000 1.234 65 A HN 0.881 nan 8.150 nan 0.000 0.483 66 S N -0.678 115.059 115.700 0.061 0.000 2.537 66 S HA 0.511 4.979 4.470 -0.003 0.000 0.271 66 S C -1.489 173.299 174.600 0.314 0.000 1.148 66 S CA -0.377 57.873 58.200 0.084 0.000 0.868 66 S CB 0.693 63.930 63.200 0.062 0.000 1.115 66 S HN 0.664 nan 8.310 nan 0.000 0.461 67 W N 2.504 123.891 121.300 0.144 0.000 3.223 67 W HA 0.475 5.133 4.660 -0.003 0.000 0.389 67 W C 0.280 176.886 176.519 0.146 0.000 1.118 67 W CA -0.687 56.764 57.345 0.177 0.000 1.902 67 W CB -0.422 29.114 29.460 0.127 0.000 1.094 67 W HN 0.494 nan 8.180 nan 0.000 0.666 68 S N 1.648 117.514 115.700 0.276 0.000 2.513 68 S HA 0.474 4.942 4.470 -0.003 0.000 0.299 68 S C -2.391 172.102 174.600 -0.178 0.000 1.087 68 S CA -1.065 57.182 58.200 0.079 0.000 1.012 68 S CB 2.500 65.715 63.200 0.025 0.000 1.044 68 S HN -0.214 nan 8.310 nan 0.000 0.485 69 P HA 0.223 nan 4.420 nan 0.000 0.271 69 P C -2.448 174.535 177.300 -0.528 0.000 1.216 69 P CA -1.320 61.495 63.100 -0.476 0.000 0.776 69 P CB 0.164 31.774 31.700 -0.149 0.000 0.881 70 P HA -0.128 nan 4.420 nan 0.000 0.229 70 P C 1.195 178.343 177.300 -0.253 0.000 1.150 70 P CA 1.220 64.040 63.100 -0.467 0.000 0.765 70 P CB 0.090 31.493 31.700 -0.495 0.000 0.783 71 E N -0.629 119.440 120.200 -0.217 0.000 2.046 71 E HA -0.118 4.230 4.350 -0.003 0.000 0.190 71 E C 1.829 178.376 176.600 -0.088 0.000 0.982 71 E CA 1.186 57.516 56.400 -0.117 0.000 0.800 71 E CB -0.900 28.752 29.700 -0.080 0.000 0.756 71 E HN 0.157 nan 8.360 nan 0.000 0.449 72 V N -0.897 118.962 119.914 -0.092 0.000 3.217 72 V HA 0.084 4.202 4.120 -0.003 0.000 0.264 72 V C 0.803 176.862 176.094 -0.059 0.000 1.135 72 V CA 0.368 62.632 62.300 -0.061 0.000 1.142 72 V CB -0.725 31.069 31.823 -0.048 0.000 0.754 72 V HN -0.000 nan 8.190 nan 0.000 0.484 73 L N 0.958 122.130 121.223 -0.084 0.000 2.350 73 L HA 0.397 4.735 4.340 -0.003 0.000 0.275 73 L C -0.069 176.778 176.870 -0.038 0.000 1.099 73 L CA -0.590 54.212 54.840 -0.064 0.000 0.808 73 L CB 1.606 43.608 42.059 -0.095 0.000 1.149 73 L HN -0.048 nan 8.230 nan 0.000 0.442 74 V N 5.139 125.054 119.914 0.002 0.000 2.338 74 V HA 0.049 4.167 4.120 -0.003 0.000 0.255 74 V C 1.168 177.301 176.094 0.064 0.000 1.082 74 V CA -0.089 62.225 62.300 0.025 0.000 0.951 74 V CB 0.552 32.412 31.823 0.062 0.000 1.102 74 V HN 0.617 nan 8.190 nan 0.000 0.489 75 L N 3.798 125.014 121.223 -0.010 0.000 2.675 75 L HA 0.262 4.600 4.340 -0.003 0.000 0.239 75 L C 0.604 177.396 176.870 -0.130 0.000 1.151 75 L CA 0.734 55.555 54.840 -0.032 0.000 0.905 75 L CB -0.367 41.644 42.059 -0.079 0.000 1.057 75 L HN 0.651 nan 8.230 nan 0.000 0.435 76 E N -1.175 118.873 120.200 -0.254 0.000 2.422 76 E HA 0.579 4.927 4.350 -0.003 0.000 0.289 76 E C -0.500 175.636 176.600 -0.773 0.000 0.985 76 E CA -0.289 55.743 56.400 -0.613 0.000 0.812 76 E CB 2.222 31.720 29.700 -0.338 0.000 1.226 76 E HN 0.071 nan 8.360 nan 0.000 0.419 77 G N 0.675 108.706 108.800 -1.281 0.000 2.348 77 G HA2 0.515 4.473 3.960 -0.003 0.000 0.296 77 G HA3 0.515 4.473 3.960 -0.003 0.000 0.296 77 G C -1.031 173.671 174.900 -0.330 0.000 1.258 77 G CA 0.015 44.742 45.100 -0.622 0.000 0.868 77 G HN 0.538 nan 8.290 nan 0.000 0.488 78 T N -1.827 112.759 114.554 0.053 0.000 2.907 78 T HA 0.833 5.181 4.350 -0.003 0.000 0.290 78 T C -0.551 174.299 174.700 0.250 0.000 1.066 78 T CA -0.369 61.830 62.100 0.166 0.000 1.012 78 T CB 1.728 70.643 68.868 0.079 0.000 1.184 78 T HN 1.816 nan 8.240 nan 0.000 0.522 79 L N -1.221 120.143 121.223 0.234 0.000 2.565 79 L HA 0.908 5.246 4.340 -0.003 0.000 0.261 79 L C -0.765 176.240 176.870 0.226 0.000 0.932 79 L CA -1.429 53.520 54.840 0.182 0.000 0.878 79 L CB 1.213 43.339 42.059 0.112 0.000 1.333 79 L HN 1.005 nan 8.230 nan 0.000 0.409 80 A N 2.061 124.977 122.820 0.160 0.000 2.269 80 A HA 1.068 5.386 4.320 -0.003 0.000 0.319 80 A C 0.132 177.810 177.584 0.158 0.000 1.110 80 A CA -0.032 52.107 52.037 0.170 0.000 0.847 80 A CB 1.441 20.505 19.000 0.107 0.000 1.161 80 A HN 1.423 nan 8.150 nan 0.000 0.497 81 R N -0.203 120.403 120.500 0.176 0.000 3.090 81 R HA 0.669 5.007 4.340 -0.003 0.000 0.279 81 R C 0.058 176.438 176.300 0.133 0.000 1.462 81 R CA 0.615 56.795 56.100 0.133 0.000 1.044 81 R CB -0.857 29.509 30.300 0.109 0.000 1.365 81 R HN 2.812 nan 8.270 nan 0.000 0.399 82 M N -0.072 119.589 119.600 0.103 0.000 2.732 82 M HA 0.226 4.705 4.480 -0.003 0.000 0.207 82 M C 1.720 178.069 176.300 0.082 0.000 0.513 82 M CA 1.887 57.242 55.300 0.093 0.000 0.652 82 M CB -2.303 30.351 32.600 0.091 0.000 2.410 82 M HN 2.865 nan 8.290 nan 0.000 0.660 83 G N -3.082 105.764 108.800 0.077 0.000 2.291 83 G HA2 0.545 4.503 3.960 -0.003 0.000 0.271 83 G HA3 0.545 4.503 3.960 -0.003 0.000 0.271 83 G C -0.098 174.826 174.900 0.040 0.000 1.099 83 G CA 1.305 46.436 45.100 0.052 0.000 0.919 83 G HN 3.385 nan 8.290 nan 0.000 0.496 84 Q N -1.681 118.153 119.800 0.056 0.000 2.280 84 Q HA 0.981 5.319 4.340 -0.003 0.000 0.259 84 Q C 0.060 176.045 176.000 -0.025 0.000 0.964 84 Q CA 0.800 56.597 55.803 -0.010 0.000 0.844 84 Q CB 0.472 29.228 28.738 0.030 0.000 1.334 84 Q HN 2.140 nan 8.270 nan 0.000 0.423 85 T N 0.574 115.045 114.554 -0.137 0.000 2.882 85 T HA 0.795 5.143 4.350 -0.003 0.000 0.287 85 T C -0.350 174.167 174.700 -0.305 0.000 1.014 85 T CA -0.095 61.954 62.100 -0.085 0.000 1.049 85 T CB 0.379 69.213 68.868 -0.055 0.000 1.001 85 T HN 0.687 nan 8.240 nan 0.000 0.525 86 Y N -0.820 119.508 120.300 0.046 0.000 2.571 86 Y HA 0.559 5.107 4.550 -0.003 0.000 0.341 86 Y C -0.217 175.730 175.900 0.077 0.000 1.076 86 Y CA -0.962 57.173 58.100 0.058 0.000 1.029 86 Y CB 2.278 40.777 38.460 0.064 0.000 1.308 86 Y HN 0.877 nan 8.280 nan 0.000 0.461 87 A N 2.197 125.161 122.820 0.240 0.000 2.359 87 A HA 0.766 5.084 4.320 -0.003 0.000 0.303 87 A C -1.860 175.816 177.584 0.153 0.000 1.066 87 A CA -0.648 51.463 52.037 0.125 0.000 0.730 87 A CB 0.422 19.439 19.000 0.028 0.000 1.211 87 A HN 0.693 nan 8.150 nan 0.000 0.439 88 Y N 0.091 120.397 120.300 0.010 0.000 2.630 88 Y HA 0.904 5.452 4.550 -0.003 0.000 0.337 88 Y C -0.325 175.518 175.900 -0.094 0.000 1.051 88 Y CA -1.513 56.566 58.100 -0.036 0.000 1.121 88 Y CB 1.460 39.887 38.460 -0.056 0.000 1.299 88 Y HN 0.602 nan 8.280 nan 0.000 0.498 89 R N 2.118 122.580 120.500 -0.063 0.000 2.522 89 R HA 0.522 4.860 4.340 -0.003 0.000 0.283 89 R C -1.872 174.131 176.300 -0.496 0.000 1.074 89 R CA -0.691 55.208 56.100 -0.334 0.000 0.925 89 R CB 2.096 32.177 30.300 -0.366 0.000 1.205 89 R HN 0.717 nan 8.270 nan 0.000 0.436 90 L N 3.490 124.464 121.223 -0.415 0.000 2.309 90 L HA 0.550 4.888 4.340 -0.003 0.000 0.282 90 L C -0.919 175.669 176.870 -0.469 0.000 1.036 90 L CA -0.786 53.850 54.840 -0.341 0.000 0.806 90 L CB 0.880 42.886 42.059 -0.089 0.000 1.220 90 L HN 0.556 nan 8.230 nan 0.000 0.429 91 Y N 2.187 122.514 120.300 0.044 0.000 2.329 91 Y HA 0.370 4.918 4.550 -0.003 0.000 0.328 91 Y C -2.347 173.590 175.900 0.061 0.000 0.992 91 Y CA -2.584 55.541 58.100 0.042 0.000 1.151 91 Y CB 1.463 39.946 38.460 0.040 0.000 1.150 91 Y HN 0.402 nan 8.280 nan 0.000 0.450 92 P HA 0.078 nan 4.420 nan 0.000 0.269 92 P C -0.303 177.131 177.300 0.224 0.000 1.209 92 P CA -0.417 62.817 63.100 0.225 0.000 0.776 92 P CB 0.639 32.483 31.700 0.240 0.000 0.876 93 K N 1.549 122.077 120.400 0.213 0.000 2.792 93 K HA 0.515 4.833 4.320 -0.003 0.000 0.207 93 K C 0.811 177.489 176.600 0.130 0.000 1.103 93 K CA -0.385 55.989 56.287 0.146 0.000 1.048 93 K CB -0.245 32.322 32.500 0.113 0.000 0.777 93 K HN 0.546 nan 8.250 nan 0.000 0.468 94 G N 1.315 110.226 108.800 0.184 0.000 2.531 94 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.274 94 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.274 94 G C -0.615 174.287 174.900 0.003 0.000 1.159 94 G CA -0.026 45.120 45.100 0.076 0.000 0.969 94 G HN 0.370 nan 8.290 nan 0.000 0.554 95 R N -0.183 120.261 120.500 -0.093 0.000 3.076 95 R HA 0.908 5.246 4.340 -0.003 0.000 0.239 95 R C 0.023 176.301 176.300 -0.038 0.000 1.392 95 R CA -0.137 55.900 56.100 -0.104 0.000 1.044 95 R CB 1.408 31.562 30.300 -0.243 0.000 1.389 95 R HN 1.518 nan 8.270 nan 0.000 0.498 96 R N -0.326 120.158 120.500 -0.027 0.000 2.560 96 R HA 0.492 4.831 4.340 -0.003 0.000 0.267 96 R C -2.652 173.646 176.300 -0.003 0.000 1.150 96 R CA -0.750 55.346 56.100 -0.007 0.000 0.997 96 R CB -0.164 30.145 30.300 0.014 0.000 1.250 96 R HN 0.730 nan 8.270 nan 0.000 0.433 97 P HA 0.526 nan 4.420 nan 0.000 0.269 97 P C -0.678 176.629 177.300 0.012 0.000 1.205 97 P CA 0.533 63.632 63.100 -0.001 0.000 0.780 97 P CB 0.603 32.300 31.700 -0.004 0.000 0.858 98 L N 0.569 121.803 121.223 0.019 0.000 2.424 98 L HA 0.671 5.010 4.340 -0.003 0.000 0.258 98 L C -0.017 176.868 176.870 0.025 0.000 0.995 98 L CA 0.190 55.047 54.840 0.029 0.000 0.821 98 L CB 2.242 44.330 42.059 0.049 0.000 1.383 98 L HN 0.574 nan 8.230 nan 0.000 0.410 99 D N 2.748 123.162 120.400 0.024 0.000 2.391 99 D HA 0.568 5.206 4.640 -0.003 0.000 0.245 99 D C -2.196 174.120 176.300 0.026 0.000 1.069 99 D CA -1.258 52.755 54.000 0.021 0.000 0.831 99 D CB 1.807 42.616 40.800 0.015 0.000 1.204 99 D HN 0.522 nan 8.370 nan 0.000 0.503 100 P HA -0.089 nan 4.420 nan 0.000 0.220 100 P C 1.253 178.571 177.300 0.031 0.000 1.152 100 P CA 0.587 63.706 63.100 0.031 0.000 0.812 100 P CB 0.494 32.205 31.700 0.019 0.000 0.792 101 K N 0.365 120.778 120.400 0.022 0.000 2.062 101 K HA -0.060 4.258 4.320 -0.003 0.000 0.205 101 K C 0.596 177.205 176.600 0.016 0.000 1.051 101 K CA 0.602 56.900 56.287 0.019 0.000 0.941 101 K CB -1.125 31.383 32.500 0.013 0.000 0.719 101 K HN 0.161 nan 8.250 nan 0.000 0.440 102 D N 1.926 122.334 120.400 0.014 0.000 2.426 102 D HA -0.029 4.609 4.640 -0.003 0.000 0.261 102 D C -1.675 174.631 176.300 0.010 0.000 1.245 102 D CA -1.295 52.712 54.000 0.011 0.000 0.917 102 D CB 1.019 41.826 40.800 0.011 0.000 1.123 102 D HN -0.132 nan 8.370 nan 0.000 0.508 103 P HA -0.241 nan 4.420 nan 0.000 0.216 103 P C 1.346 178.646 177.300 -0.000 0.000 1.151 103 P CA 2.080 65.180 63.100 -0.002 0.000 0.953 103 P CB -0.152 31.544 31.700 -0.006 0.000 0.789 104 G N -0.855 107.946 108.800 0.002 0.000 2.421 104 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.216 104 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.216 104 G C 1.834 176.740 174.900 0.010 0.000 1.171 104 G CA 1.786 46.889 45.100 0.004 0.000 0.775 104 G HN 0.433 nan 8.290 nan 0.000 0.543 105 E N 0.481 120.689 120.200 0.014 0.000 2.160 105 E HA -0.176 4.172 4.350 -0.003 0.000 0.195 105 E C 2.553 179.170 176.600 0.028 0.000 0.991 105 E CA 2.607 59.019 56.400 0.020 0.000 0.810 105 E CB -0.947 28.766 29.700 0.021 0.000 0.742 105 E HN 0.698 nan 8.360 nan 0.000 0.466 106 R N 0.543 121.061 120.500 0.029 0.000 2.075 106 R HA -0.041 4.298 4.340 -0.003 0.000 0.230 106 R C 2.832 179.157 176.300 0.042 0.000 1.140 106 R CA 1.854 57.981 56.100 0.045 0.000 0.928 106 R CB -1.492 28.833 30.300 0.042 0.000 0.834 106 R HN 0.496 nan 8.270 nan 0.000 0.429 107 S N 0.290 116.002 115.700 0.019 0.000 2.421 107 S HA -0.227 4.242 4.470 -0.003 0.000 0.239 107 S C 2.355 176.958 174.600 0.005 0.000 1.054 107 S CA 1.806 60.011 58.200 0.008 0.000 1.035 107 S CB -0.820 62.377 63.200 -0.006 0.000 0.840 107 S HN 0.791 nan 8.310 nan 0.000 0.475 108 V N 1.065 120.979 119.914 -0.000 0.000 2.302 108 V HA 0.111 4.229 4.120 -0.003 0.000 0.243 108 V C 2.078 178.137 176.094 -0.058 0.000 1.036 108 V CA 1.569 63.850 62.300 -0.033 0.000 1.020 108 V CB -0.661 31.146 31.823 -0.027 0.000 0.657 108 V HN 0.378 nan 8.190 nan 0.000 0.453 109 L N 0.373 121.596 121.223 0.001 0.000 2.349 109 L HA -0.170 4.168 4.340 -0.003 0.000 0.220 109 L C 2.610 179.535 176.870 0.090 0.000 1.130 109 L CA 1.630 56.500 54.840 0.051 0.000 0.791 109 L CB -0.253 41.897 42.059 0.151 0.000 0.918 109 L HN 0.521 nan 8.230 nan 0.000 0.444 110 S N -0.685 115.069 115.700 0.090 0.000 2.456 110 S HA 0.080 4.548 4.470 -0.003 0.000 0.224 110 S C 2.129 176.782 174.600 0.089 0.000 1.035 110 S CA 0.677 58.980 58.200 0.170 0.000 0.940 110 S CB 0.257 63.573 63.200 0.193 0.000 0.799 110 S HN 0.466 nan 8.310 nan 0.000 0.508 111 A N 1.654 124.471 122.820 -0.005 0.000 1.930 111 A HA 0.092 4.410 4.320 -0.003 0.000 0.217 111 A C 2.009 179.518 177.584 -0.125 0.000 1.175 111 A CA 0.933 52.943 52.037 -0.044 0.000 0.627 111 A CB -0.645 18.319 19.000 -0.061 0.000 0.815 111 A HN 0.425 nan 8.150 nan 0.000 0.443 112 L N -0.746 120.309 121.223 -0.281 0.000 2.056 112 L HA -0.181 4.157 4.340 -0.003 0.000 0.207 112 L C 3.104 179.776 176.870 -0.331 0.000 1.078 112 L CA 0.974 55.469 54.840 -0.576 0.000 0.749 112 L CB -0.571 40.642 42.059 -1.410 0.000 0.901 112 L HN 0.431 nan 8.230 nan 0.000 0.433 113 A N 0.308 123.087 122.820 -0.069 0.000 1.883 113 A HA -0.236 4.083 4.320 -0.003 0.000 0.217 113 A C 2.395 180.053 177.584 0.123 0.000 1.186 113 A CA 1.721 53.902 52.037 0.240 0.000 0.624 113 A CB -0.516 18.714 19.000 0.384 0.000 0.822 113 A HN 0.336 nan 8.150 nan 0.000 0.444 114 R N -1.459 119.090 120.500 0.082 0.000 2.092 114 R HA -0.038 4.300 4.340 -0.003 0.000 0.231 114 R C 2.364 178.678 176.300 0.022 0.000 1.119 114 R CA 0.992 57.128 56.100 0.060 0.000 0.970 114 R CB -0.245 30.091 30.300 0.062 0.000 0.864 114 R HN 0.268 nan 8.270 nan 0.000 0.440 115 R N 0.925 121.422 120.500 -0.004 0.000 2.092 115 R HA -0.049 4.289 4.340 -0.003 0.000 0.231 115 R C 2.154 178.466 176.300 0.019 0.000 1.119 115 R CA 0.746 56.838 56.100 -0.013 0.000 0.970 115 R CB -0.779 29.490 30.300 -0.053 0.000 0.864 115 R HN 0.232 nan 8.270 nan 0.000 0.440 116 L N 1.016 122.280 121.223 0.069 0.000 2.017 116 L HA -0.177 4.161 4.340 -0.003 0.000 0.208 116 L C 2.085 178.962 176.870 0.012 0.000 1.073 116 L CA 1.659 56.566 54.840 0.113 0.000 0.745 116 L CB -0.930 41.280 42.059 0.252 0.000 0.894 116 L HN 0.153 nan 8.230 nan 0.000 0.432 117 L N 0.149 121.364 121.223 -0.012 0.000 2.093 117 L HA -0.225 4.113 4.340 -0.003 0.000 0.208 117 L C 2.649 179.493 176.870 -0.044 0.000 1.085 117 L CA 1.688 56.495 54.840 -0.056 0.000 0.755 117 L CB -0.599 41.431 42.059 -0.048 0.000 0.904 117 L HN 0.372 nan 8.230 nan 0.000 0.435 118 Q N -0.505 119.284 119.800 -0.019 0.000 2.096 118 Q HA -0.272 4.067 4.340 -0.003 0.000 0.204 118 Q C 2.160 178.145 176.000 -0.025 0.000 0.982 118 Q CA 2.503 58.296 55.803 -0.018 0.000 0.850 118 Q CB -0.102 28.630 28.738 -0.010 0.000 0.901 118 Q HN 0.769 nan 8.270 nan 0.000 0.422 119 E N 0.674 120.861 120.200 -0.021 0.000 2.152 119 E HA -0.140 4.208 4.350 -0.003 0.000 0.192 119 E C 1.774 178.351 176.600 -0.039 0.000 0.983 119 E CA 0.852 57.239 56.400 -0.023 0.000 0.818 119 E CB -0.325 29.370 29.700 -0.007 0.000 0.758 119 E HN 0.227 nan 8.360 nan 0.000 0.467 120 R N -0.309 120.157 120.500 -0.057 0.000 2.073 120 R HA 0.112 4.450 4.340 -0.003 0.000 0.229 120 R C 2.587 178.832 176.300 -0.092 0.000 1.120 120 R CA 1.124 57.171 56.100 -0.088 0.000 0.967 120 R CB -0.580 29.642 30.300 -0.130 0.000 0.862 120 R HN 0.453 nan 8.270 nan 0.000 0.436 121 L N 0.191 121.365 121.223 -0.082 0.000 2.131 121 L HA -0.107 4.231 4.340 -0.003 0.000 0.210 121 L C 2.563 179.415 176.870 -0.031 0.000 1.092 121 L CA 1.217 56.021 54.840 -0.060 0.000 0.759 121 L CB -0.374 41.661 42.059 -0.039 0.000 0.903 121 L HN 0.105 nan 8.230 nan 0.000 0.435 122 R N 0.390 120.870 120.500 -0.034 0.000 2.235 122 R HA -0.106 4.232 4.340 -0.003 0.000 0.213 122 R C 2.124 178.407 176.300 -0.028 0.000 1.059 122 R CA 0.867 56.947 56.100 -0.032 0.000 0.997 122 R CB -0.069 30.211 30.300 -0.033 0.000 0.884 122 R HN 0.475 nan 8.270 nan 0.000 0.462 123 R N -0.019 120.463 120.500 -0.029 0.000 2.334 123 R HA 0.158 4.497 4.340 -0.003 0.000 0.216 123 R C 0.249 176.542 176.300 -0.011 0.000 0.905 123 R CA -0.045 56.042 56.100 -0.023 0.000 1.064 123 R CB 0.107 30.390 30.300 -0.029 0.000 1.046 123 R HN 0.011 nan 8.270 nan 0.000 0.508 124 L N 1.819 123.041 121.223 -0.002 0.000 2.452 124 L HA 0.318 4.656 4.340 -0.003 0.000 0.267 124 L C 0.508 177.415 176.870 0.061 0.000 1.188 124 L CA 0.283 55.148 54.840 0.042 0.000 0.821 124 L CB 0.863 42.972 42.059 0.085 0.000 1.102 124 L HN 0.385 nan 8.230 nan 0.000 0.470 125 E N -0.028 120.224 120.200 0.087 0.000 2.277 125 E HA 0.535 4.884 4.350 -0.003 0.000 0.266 125 E C 0.572 177.228 176.600 0.094 0.000 0.901 125 E CA -0.356 56.086 56.400 0.071 0.000 0.782 125 E CB 1.693 31.423 29.700 0.050 0.000 1.228 125 E HN 0.908 nan 8.360 nan 0.000 0.424 126 G N -0.796 108.050 108.800 0.078 0.000 2.143 126 G HA2 -0.075 3.883 3.960 -0.003 0.000 0.248 126 G HA3 -0.075 3.883 3.960 -0.003 0.000 0.248 126 G C 0.229 175.195 174.900 0.109 0.000 0.991 126 G CA 0.359 45.508 45.100 0.082 0.000 0.689 126 G HN 1.396 nan 8.290 nan 0.000 0.522 127 V N -0.055 119.938 119.914 0.132 0.000 2.876 127 V HA 0.663 4.782 4.120 -0.003 0.000 0.312 127 V C -0.167 176.058 176.094 0.218 0.000 1.085 127 V CA -1.220 61.190 62.300 0.184 0.000 0.945 127 V CB 2.155 34.102 31.823 0.207 0.000 1.017 127 V HN 0.319 nan 8.190 nan 0.000 0.428 128 W N 4.651 126.034 121.300 0.138 0.000 2.317 128 W HA 0.595 5.253 4.660 -0.003 0.000 0.327 128 W C -1.266 175.380 176.519 0.211 0.000 1.036 128 W CA -0.432 57.008 57.345 0.158 0.000 1.419 128 W CB 1.347 30.908 29.460 0.168 0.000 1.253 128 W HN 0.378 nan 8.180 nan 0.000 0.392 129 V N 6.228 126.161 119.914 0.031 0.000 2.394 129 V HA 0.193 4.312 4.120 -0.003 0.000 0.282 129 V C -0.237 175.896 176.094 0.064 0.000 1.031 129 V CA -0.352 62.002 62.300 0.089 0.000 0.881 129 V CB 1.599 33.428 31.823 0.011 0.000 0.982 129 V HN 0.413 nan 8.190 nan 0.000 0.451 130 E N 3.365 123.702 120.200 0.229 0.000 2.518 130 E HA 0.524 4.872 4.350 -0.003 0.000 0.240 130 E C 0.634 177.325 176.600 0.151 0.000 0.996 130 E CA 0.539 57.064 56.400 0.208 0.000 0.768 130 E CB 0.992 30.922 29.700 0.383 0.000 1.329 130 E HN 0.937 nan 8.360 nan 0.000 0.408 131 G N 2.697 111.541 108.800 0.074 0.000 2.779 131 G HA2 -0.328 3.631 3.960 -0.003 0.000 0.284 131 G HA3 -0.328 3.631 3.960 -0.003 0.000 0.284 131 G C 0.486 175.413 174.900 0.045 0.000 1.326 131 G CA 0.177 45.309 45.100 0.054 0.000 0.983 131 G HN 0.453 nan 8.290 nan 0.000 0.555 132 L N 1.885 123.140 121.223 0.054 0.000 2.766 132 L HA 0.598 4.936 4.340 -0.003 0.000 0.242 132 L C 1.477 178.361 176.870 0.022 0.000 1.136 132 L CA 0.518 55.379 54.840 0.035 0.000 0.933 132 L CB 0.308 42.393 42.059 0.043 0.000 1.241 132 L HN 0.749 nan 8.230 nan 0.000 0.522 133 A N 0.591 123.437 122.820 0.043 0.000 2.327 133 A HA 0.611 4.930 4.320 -0.003 0.000 0.283 133 A C -0.412 177.099 177.584 -0.122 0.000 1.127 133 A CA -0.172 51.832 52.037 -0.055 0.000 0.810 133 A CB 1.066 20.125 19.000 0.098 0.000 1.066 133 A HN -0.039 nan 8.150 nan 0.000 0.492 134 V N 2.919 122.635 119.914 -0.330 0.000 2.443 134 V HA 0.373 4.491 4.120 -0.003 0.000 0.293 134 V C -1.367 174.476 176.094 -0.418 0.000 1.021 134 V CA -0.258 61.944 62.300 -0.163 0.000 0.848 134 V CB 0.794 32.659 31.823 0.070 0.000 0.998 134 V HN 0.789 nan 8.190 nan 0.000 0.424 135 Y N 4.753 125.172 120.300 0.199 0.000 2.409 135 Y HA 0.660 5.209 4.550 -0.003 0.000 0.339 135 Y C 1.063 177.042 175.900 0.132 0.000 1.033 135 Y CA -0.891 57.301 58.100 0.154 0.000 1.094 135 Y CB 1.882 40.438 38.460 0.161 0.000 1.210 135 Y HN 0.645 nan 8.280 nan 0.000 0.456 136 R N -0.770 119.837 120.500 0.178 0.000 2.496 136 R HA 0.490 4.829 4.340 -0.003 0.000 0.369 136 R C -0.336 175.998 176.300 0.057 0.000 0.896 136 R CA -0.306 55.838 56.100 0.073 0.000 1.147 136 R CB 0.126 30.368 30.300 -0.097 0.000 1.697 136 R HN 0.578 nan 8.270 nan 0.000 0.518 137 R N 1.497 122.066 120.500 0.115 0.000 2.744 137 R HA 0.448 4.786 4.340 -0.003 0.000 0.279 137 R C -1.189 175.185 176.300 0.123 0.000 0.977 137 R CA -0.722 55.438 56.100 0.100 0.000 0.906 137 R CB 0.512 30.879 30.300 0.111 0.000 1.197 137 R HN 0.357 nan 8.270 nan 0.000 0.463 138 E N 1.930 122.174 120.200 0.074 0.000 2.180 138 E HA 0.167 4.515 4.350 -0.003 0.000 0.283 138 E C -0.197 176.448 176.600 0.074 0.000 1.061 138 E CA -0.511 55.922 56.400 0.054 0.000 0.861 138 E CB 1.022 30.726 29.700 0.007 0.000 1.056 138 E HN 0.693 nan 8.360 nan 0.000 0.407 139 H N 2.397 121.465 119.070 -0.003 0.000 2.326 139 H HA 0.360 4.914 4.556 -0.003 0.000 0.272 139 H C -0.226 175.069 175.328 -0.055 0.000 0.949 139 H CA 0.799 56.824 56.048 -0.039 0.000 1.175 139 H CB 0.925 30.626 29.762 -0.101 0.000 1.462 139 H HN 0.524 nan 8.280 nan 0.000 0.514 140 A N 0.370 123.311 122.820 0.202 0.000 2.486 140 A HA 0.752 5.071 4.320 -0.003 0.000 0.289 140 A C -0.521 177.054 177.584 -0.015 0.000 1.176 140 A CA -0.583 51.553 52.037 0.164 0.000 0.757 140 A CB 2.688 21.923 19.000 0.391 0.000 1.337 140 A HN 0.354 nan 8.150 nan 0.000 0.423 141 R N -2.031 118.274 120.500 -0.325 0.000 3.006 141 R HA 0.713 5.052 4.340 -0.003 0.000 0.261 141 R C -0.637 174.800 176.300 -1.437 0.000 1.113 141 R CA 0.096 55.796 56.100 -0.668 0.000 0.973 141 R CB 2.110 32.194 30.300 -0.359 0.000 1.341 141 R HN 2.137 nan 8.270 nan 0.000 0.437 142 G N 0.289 108.396 108.800 -1.156 0.000 2.321 142 G HA2 0.081 4.039 3.960 -0.003 0.000 0.339 142 G HA3 0.081 4.039 3.960 -0.003 0.000 0.339 142 G C -2.895 171.543 174.900 -0.769 0.000 1.518 142 G CA -1.215 43.222 45.100 -1.105 0.000 0.994 142 G HN 0.363 nan 8.290 nan 0.000 0.668 143 P HA 0.053 nan 4.420 nan 0.000 0.109 143 P C 1.331 178.667 177.300 0.061 0.000 0.656 143 P CA 2.794 65.862 63.100 -0.053 0.000 1.148 143 P CB -0.513 31.241 31.700 0.090 0.000 1.562 144 G N 0.690 109.486 108.800 -0.006 0.000 2.186 144 G HA2 -0.227 3.732 3.960 -0.003 0.000 0.266 144 G HA3 -0.227 3.732 3.960 -0.003 0.000 0.266 144 G C -0.072 174.932 174.900 0.174 0.000 0.982 144 G CA 0.177 45.344 45.100 0.111 0.000 0.670 144 G HN 0.636 nan 8.290 nan 0.000 0.533 145 W N -0.265 121.096 121.300 0.101 0.000 2.736 145 W HA 0.810 5.468 4.660 -0.003 0.000 0.335 145 W C -0.097 176.399 176.519 -0.039 0.000 1.059 145 W CA -1.256 56.094 57.345 0.009 0.000 1.226 145 W CB 0.960 30.449 29.460 0.049 0.000 1.416 145 W HN 0.437 nan 8.180 nan 0.000 0.505 146 R N 1.414 122.087 120.500 0.289 0.000 2.538 146 R HA 0.593 4.932 4.340 -0.003 0.000 0.292 146 R C -2.086 174.306 176.300 0.152 0.000 1.008 146 R CA -0.898 55.298 56.100 0.162 0.000 0.896 146 R CB 1.879 32.153 30.300 -0.043 0.000 1.187 146 R HN 0.285 nan 8.270 nan 0.000 0.440 147 V N 5.591 125.640 119.914 0.225 0.000 2.334 147 V HA 0.255 4.373 4.120 -0.003 0.000 0.267 147 V C 0.170 176.285 176.094 0.036 0.000 1.040 147 V CA -0.518 61.818 62.300 0.059 0.000 0.866 147 V CB 0.809 32.648 31.823 0.027 0.000 1.019 147 V HN 0.618 nan 8.190 nan 0.000 0.468 148 L N 4.274 125.487 121.223 -0.017 0.000 2.334 148 L HA 0.637 4.976 4.340 -0.003 0.000 0.277 148 L C 1.021 178.097 176.870 0.343 0.000 1.075 148 L CA -0.191 54.710 54.840 0.102 0.000 0.804 148 L CB 1.193 43.250 42.059 -0.004 0.000 1.174 148 L HN 0.684 nan 8.230 nan 0.000 0.438 149 G N 0.774 109.840 108.800 0.443 0.000 2.420 149 G HA2 0.619 4.577 3.960 -0.003 0.000 0.284 149 G HA3 0.619 4.577 3.960 -0.003 0.000 0.284 149 G C -0.113 174.977 174.900 0.317 0.000 1.177 149 G CA 0.255 45.650 45.100 0.492 0.000 0.841 149 G HN 0.846 nan 8.290 nan 0.000 0.527 150 G N -0.802 108.081 108.800 0.139 0.000 2.510 150 G HA2 0.792 4.750 3.960 -0.003 0.000 0.277 150 G HA3 0.792 4.750 3.960 -0.003 0.000 0.277 150 G C -1.338 173.437 174.900 -0.208 0.000 1.223 150 G CA 0.299 45.341 45.100 -0.096 0.000 0.887 150 G HN 1.688 nan 8.290 nan 0.000 0.485 151 A N -1.274 121.346 122.820 -0.334 0.000 2.572 151 A HA 0.750 5.068 4.320 -0.003 0.000 0.295 151 A C -1.328 176.140 177.584 -0.193 0.000 1.072 151 A CA -0.437 51.491 52.037 -0.180 0.000 0.691 151 A CB 1.790 20.748 19.000 -0.071 0.000 1.291 151 A HN 1.422 nan 8.150 nan 0.000 0.404 152 V N 2.462 122.336 119.914 -0.067 0.000 2.427 152 V HA 0.507 4.626 4.120 -0.003 0.000 0.286 152 V C -0.053 176.054 176.094 0.021 0.000 1.034 152 V CA -0.124 62.167 62.300 -0.014 0.000 0.893 152 V CB 0.939 32.787 31.823 0.042 0.000 0.982 152 V HN 0.741 nan 8.190 nan 0.000 0.452 153 L N 3.494 124.732 121.223 0.025 0.000 2.271 153 L HA 0.830 5.168 4.340 -0.003 0.000 0.265 153 L C -0.848 176.071 176.870 0.081 0.000 1.013 153 L CA -0.668 54.197 54.840 0.041 0.000 0.820 153 L CB 2.002 44.062 42.059 0.001 0.000 1.352 153 L HN 0.529 nan 8.230 nan 0.000 0.443 154 D N 0.954 121.408 120.400 0.090 0.000 2.746 154 D HA 0.372 5.010 4.640 -0.003 0.000 0.211 154 D C -1.902 174.451 176.300 0.087 0.000 1.242 154 D CA -0.293 53.803 54.000 0.160 0.000 0.790 154 D CB 1.981 42.972 40.800 0.319 0.000 1.744 154 D HN 0.297 nan 8.370 nan 0.000 0.520 155 L N 3.942 125.232 121.223 0.112 0.000 2.385 155 L HA 0.752 5.090 4.340 -0.003 0.000 0.273 155 L C -1.330 175.682 176.870 0.237 0.000 0.990 155 L CA -0.632 54.220 54.840 0.021 0.000 0.821 155 L CB 1.353 43.401 42.059 -0.018 0.000 1.279 155 L HN 0.612 nan 8.230 nan 0.000 0.412 156 W N 4.000 125.408 121.300 0.180 0.000 3.018 156 W HA 0.712 5.371 4.660 -0.003 0.000 0.352 156 W C -2.115 174.533 176.519 0.215 0.000 1.230 156 W CA -0.956 56.492 57.345 0.171 0.000 1.162 156 W CB 0.452 29.973 29.460 0.102 0.000 1.483 156 W HN 0.075 nan 8.180 nan 0.000 0.584 157 V N 2.933 123.158 119.914 0.518 0.000 2.532 157 V HA 0.546 4.664 4.120 -0.003 0.000 0.295 157 V C 0.603 176.941 176.094 0.406 0.000 1.041 157 V CA -0.249 62.234 62.300 0.306 0.000 0.926 157 V CB 0.958 32.887 31.823 0.177 0.000 0.992 157 V HN 0.758 nan 8.190 nan 0.000 0.457 158 S N 2.245 118.091 115.700 0.243 0.000 2.666 158 S HA 0.412 4.880 4.470 -0.003 0.000 0.279 158 S C 1.225 175.905 174.600 0.132 0.000 1.149 158 S CA 0.276 58.621 58.200 0.241 0.000 1.020 158 S CB 0.882 64.185 63.200 0.172 0.000 1.127 158 S HN 0.835 nan 8.310 nan 0.000 0.537 159 D N 0.543 121.008 120.400 0.107 0.000 2.117 159 D HA -0.038 4.600 4.640 -0.003 0.000 0.198 159 D C 2.032 178.356 176.300 0.040 0.000 0.982 159 D CA 1.744 55.782 54.000 0.064 0.000 0.828 159 D CB -1.209 39.623 40.800 0.055 0.000 0.967 159 D HN 0.587 nan 8.370 nan 0.000 0.464 160 S N -0.823 114.899 115.700 0.036 0.000 2.423 160 S HA 0.347 4.816 4.470 -0.003 0.000 0.231 160 S C 2.025 176.620 174.600 -0.008 0.000 1.014 160 S CA 0.918 59.126 58.200 0.013 0.000 0.965 160 S CB 0.127 63.334 63.200 0.012 0.000 0.785 160 S HN 1.629 nan 8.310 nan 0.000 0.495 161 G N 0.894 109.685 108.800 -0.015 0.000 2.392 161 G HA2 0.177 4.136 3.960 -0.003 0.000 0.215 161 G HA3 0.177 4.136 3.960 -0.003 0.000 0.215 161 G C -0.220 174.601 174.900 -0.133 0.000 1.097 161 G CA -0.194 44.870 45.100 -0.061 0.000 0.840 161 G HN 0.886 nan 8.290 nan 0.000 0.492 162 A N -0.614 122.132 122.820 -0.124 0.000 2.435 162 A HA 0.935 5.253 4.320 -0.003 0.000 0.296 162 A C -0.414 177.057 177.584 -0.188 0.000 1.147 162 A CA -0.936 51.001 52.037 -0.167 0.000 0.775 162 A CB 1.182 20.152 19.000 -0.051 0.000 1.340 162 A HN 0.671 nan 8.150 nan 0.000 0.427 163 F N 0.073 120.011 119.950 -0.020 0.000 2.375 163 F HA 0.531 5.057 4.527 -0.003 0.000 0.333 163 F C 0.199 175.905 175.800 -0.156 0.000 1.104 163 F CA -0.061 57.903 58.000 -0.060 0.000 1.149 163 F CB 1.096 40.065 39.000 -0.052 0.000 1.190 163 F HN 0.232 nan 8.300 nan 0.000 0.533 164 L N 4.785 125.935 121.223 -0.122 0.000 2.376 164 L HA 0.392 4.730 4.340 -0.003 0.000 0.275 164 L C -1.051 175.476 176.870 -0.572 0.000 0.987 164 L CA -0.652 53.909 54.840 -0.465 0.000 0.828 164 L CB 1.850 43.330 42.059 -0.965 0.000 1.249 164 L HN 0.457 nan 8.230 nan 0.000 0.409 165 L N 3.814 124.866 121.223 -0.284 0.000 2.309 165 L HA 0.477 4.815 4.340 -0.003 0.000 0.282 165 L C -0.449 176.361 176.870 -0.100 0.000 1.036 165 L CA -0.172 54.562 54.840 -0.175 0.000 0.806 165 L CB 1.963 43.990 42.059 -0.054 0.000 1.220 165 L HN 0.711 nan 8.230 nan 0.000 0.429 166 E N 3.737 123.893 120.200 -0.072 0.000 2.176 166 E HA 0.558 4.906 4.350 -0.003 0.000 0.267 166 E C -1.845 174.848 176.600 0.156 0.000 0.893 166 E CA -0.600 55.857 56.400 0.095 0.000 0.761 166 E CB 1.990 31.819 29.700 0.215 0.000 1.133 166 E HN 0.408 nan 8.360 nan 0.000 0.409 167 V N 3.766 123.824 119.914 0.241 0.000 2.656 167 V HA 0.493 4.612 4.120 -0.003 0.000 0.307 167 V C -1.068 175.142 176.094 0.194 0.000 1.051 167 V CA -0.770 61.642 62.300 0.186 0.000 0.893 167 V CB 2.076 34.000 31.823 0.168 0.000 0.999 167 V HN 0.815 nan 8.190 nan 0.000 0.426 168 D N 4.128 124.601 120.400 0.122 0.000 2.591 168 D HA 0.425 5.063 4.640 -0.003 0.000 0.222 168 D C -2.982 173.343 176.300 0.041 0.000 1.360 168 D CA -1.026 53.039 54.000 0.110 0.000 0.967 168 D CB 2.691 43.556 40.800 0.108 0.000 1.456 168 D HN 0.223 nan 8.370 nan 0.000 0.588 169 P HA 0.338 nan 4.420 nan 0.000 0.263 169 P C -1.249 175.971 177.300 -0.132 0.000 1.175 169 P CA 0.151 63.207 63.100 -0.074 0.000 0.761 169 P CB 0.792 32.451 31.700 -0.068 0.000 0.794 170 A N 2.791 125.490 122.820 -0.202 0.000 2.612 170 A HA 0.641 4.960 4.320 -0.003 0.000 0.293 170 A C -1.863 175.618 177.584 -0.172 0.000 1.075 170 A CA -0.441 51.494 52.037 -0.171 0.000 0.680 170 A CB 0.904 19.928 19.000 0.040 0.000 1.279 170 A HN 0.317 nan 8.150 nan 0.000 0.411 171 Y N 0.253 120.637 120.300 0.139 0.000 2.387 171 Y HA 0.750 5.298 4.550 -0.003 0.000 0.336 171 Y C 0.545 176.414 175.900 -0.051 0.000 1.067 171 Y CA -0.476 57.656 58.100 0.053 0.000 1.114 171 Y CB 1.673 40.070 38.460 -0.104 0.000 1.208 171 Y HN 0.789 nan 8.280 nan 0.000 0.458 172 R N 2.161 122.564 120.500 -0.162 0.000 2.664 172 R HA 0.678 5.016 4.340 -0.003 0.000 0.286 172 R C -1.731 174.359 176.300 -0.351 0.000 0.967 172 R CA -0.566 55.196 56.100 -0.565 0.000 0.933 172 R CB 0.805 30.128 30.300 -1.628 0.000 1.146 172 R HN 0.735 nan 8.270 nan 0.000 0.468 173 I N 5.529 125.915 120.570 -0.307 0.000 2.390 173 I HA 0.314 4.482 4.170 -0.003 0.000 0.283 173 I C -0.779 175.170 176.117 -0.280 0.000 1.016 173 I CA -0.431 60.724 61.300 -0.242 0.000 1.151 173 I CB 1.048 38.920 38.000 -0.215 0.000 1.293 173 I HN 0.320 nan 8.210 nan 0.000 0.458 174 L N 6.017 127.065 121.223 -0.291 0.000 2.322 174 L HA 0.483 4.821 4.340 -0.003 0.000 0.281 174 L C -0.448 176.306 176.870 -0.193 0.000 1.014 174 L CA -0.622 54.014 54.840 -0.340 0.000 0.815 174 L CB 2.096 43.770 42.059 -0.641 0.000 1.247 174 L HN 0.601 nan 8.230 nan 0.000 0.421 175 C N 3.006 122.181 119.300 -0.209 0.000 2.273 175 C HA 0.426 4.884 4.460 -0.003 0.000 0.328 175 C C 0.583 175.504 174.990 -0.114 0.000 1.275 175 C CA -0.526 58.384 59.018 -0.180 0.000 1.704 175 C CB -0.091 27.405 27.740 -0.406 0.000 2.326 175 C HN 0.886 nan 8.230 nan 0.000 0.517 176 E N 5.005 125.182 120.200 -0.038 0.000 2.542 176 E HA 0.345 4.693 4.350 -0.003 0.000 0.224 176 E C -0.206 176.418 176.600 0.040 0.000 1.110 176 E CA 0.034 56.436 56.400 0.004 0.000 1.350 176 E CB 0.076 29.783 29.700 0.012 0.000 1.302 176 E HN 0.734 nan 8.360 nan 0.000 0.435 177 M N 0.619 120.240 119.600 0.035 0.000 2.758 177 M HA 0.618 5.096 4.480 -0.003 0.000 0.281 177 M C -1.014 175.313 176.300 0.044 0.000 1.082 177 M CA -0.701 54.663 55.300 0.106 0.000 0.866 177 M CB 1.835 34.596 32.600 0.268 0.000 1.662 177 M HN 0.035 nan 8.290 nan 0.000 0.515 178 S N -0.064 115.685 115.700 0.082 0.000 2.536 178 S HA 0.433 4.901 4.470 -0.003 0.000 0.271 178 S C 0.176 174.823 174.600 0.079 0.000 1.134 178 S CA -0.814 57.405 58.200 0.032 0.000 0.897 178 S CB 1.214 64.436 63.200 0.035 0.000 1.094 178 S HN 0.814 nan 8.310 nan 0.000 0.473 179 L N 1.865 123.100 121.223 0.021 0.000 2.056 179 L HA -0.226 4.113 4.340 -0.003 0.000 0.237 179 L C 2.545 179.509 176.870 0.157 0.000 1.106 179 L CA 2.416 57.302 54.840 0.077 0.000 0.829 179 L CB -1.137 40.926 42.059 0.007 0.000 0.924 179 L HN 0.960 nan 8.230 nan 0.000 0.447 180 E N -0.605 119.653 120.200 0.096 0.000 2.055 180 E HA -0.319 4.030 4.350 -0.003 0.000 0.209 180 E C 2.103 178.784 176.600 0.135 0.000 1.036 180 E CA 1.902 58.360 56.400 0.097 0.000 0.849 180 E CB -0.780 28.958 29.700 0.063 0.000 0.767 180 E HN 0.659 nan 8.360 nan 0.000 0.461 181 A N 1.328 124.234 122.820 0.143 0.000 1.948 181 A HA -0.205 4.113 4.320 -0.003 0.000 0.220 181 A C 2.124 179.861 177.584 0.255 0.000 1.177 181 A CA 1.580 53.715 52.037 0.163 0.000 0.636 181 A CB -1.146 17.944 19.000 0.151 0.000 0.815 181 A HN 0.573 nan 8.150 nan 0.000 0.449 182 W N 0.574 121.921 121.300 0.079 0.000 2.352 182 W HA -0.195 4.463 4.660 -0.003 0.000 0.322 182 W C 1.852 178.497 176.519 0.210 0.000 1.208 182 W CA 1.748 59.175 57.345 0.138 0.000 1.286 182 W CB -0.467 29.013 29.460 0.033 0.000 1.167 182 W HN 0.309 nan 8.180 nan 0.000 0.469 183 L N 1.233 122.634 121.223 0.296 0.000 2.042 183 L HA -0.234 4.105 4.340 -0.003 0.000 0.210 183 L C 2.724 179.622 176.870 0.046 0.000 1.076 183 L CA 1.531 56.451 54.840 0.133 0.000 0.749 183 L CB -1.499 40.647 42.059 0.145 0.000 0.893 183 L HN 0.010 nan 8.230 nan 0.000 0.432 184 A N 0.127 122.990 122.820 0.071 0.000 2.245 184 A HA -0.214 4.104 4.320 -0.003 0.000 0.217 184 A C 1.604 179.177 177.584 -0.017 0.000 1.171 184 A CA 1.800 53.856 52.037 0.032 0.000 0.688 184 A CB -0.589 18.442 19.000 0.052 0.000 0.781 184 A HN 0.736 nan 8.150 nan 0.000 0.479 185 Q N -2.465 117.295 119.800 -0.066 0.000 2.139 185 Q HA 0.451 4.789 4.340 -0.003 0.000 0.301 185 Q C 0.295 176.082 176.000 -0.354 0.000 0.874 185 Q CA -0.085 55.623 55.803 -0.159 0.000 1.116 185 Q CB -0.500 28.166 28.738 -0.119 0.000 1.278 185 Q HN 1.021 nan 8.270 nan 0.000 0.426 186 G N 1.373 109.996 108.800 -0.295 0.000 2.473 186 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.289 186 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.289 186 G C -1.052 173.515 174.900 -0.556 0.000 1.084 186 G CA 0.112 45.004 45.100 -0.347 0.000 1.215 186 G HN 0.692 nan 8.290 nan 0.000 0.527 187 H N 0.417 119.315 119.070 -0.287 0.000 2.894 187 H HA 0.561 5.115 4.556 -0.003 0.000 0.367 187 H C -2.104 173.149 175.328 -0.125 0.000 1.144 187 H CA -1.418 54.404 56.048 -0.376 0.000 1.180 187 H CB 2.628 31.742 29.762 -1.081 0.000 1.758 187 H HN 0.296 nan 8.280 nan 0.000 0.541 188 P HA 0.073 nan 4.420 nan 0.000 0.274 188 P C -0.746 176.682 177.300 0.213 0.000 1.246 188 P CA -0.685 62.497 63.100 0.136 0.000 0.795 188 P CB 1.138 32.906 31.700 0.113 0.000 1.006 189 L N 2.769 124.089 121.223 0.162 0.000 2.477 189 L HA 0.245 4.583 4.340 -0.003 0.000 0.272 189 L C -1.754 175.201 176.870 0.143 0.000 1.157 189 L CA -0.836 54.102 54.840 0.164 0.000 0.889 189 L CB -1.314 40.815 42.059 0.116 0.000 1.158 189 L HN 0.303 nan 8.230 nan 0.000 0.473 190 P HA 0.100 nan 4.420 nan 0.000 0.269 190 P C 0.569 177.898 177.300 0.047 0.000 1.215 190 P CA -0.422 62.718 63.100 0.067 0.000 0.780 190 P CB 0.806 32.493 31.700 -0.021 0.000 0.898 191 K N 1.154 121.573 120.400 0.032 0.000 2.001 191 K HA -0.047 4.271 4.320 -0.003 0.000 0.208 191 K C 0.613 177.235 176.600 0.036 0.000 1.048 191 K CA 1.224 57.532 56.287 0.035 0.000 0.932 191 K CB 0.165 32.679 32.500 0.022 0.000 0.715 191 K HN 0.371 nan 8.250 nan 0.000 0.437 192 R N -0.157 120.351 120.500 0.014 0.000 2.828 192 R HA 0.484 4.823 4.340 -0.003 0.000 0.264 192 R C -1.137 175.163 176.300 -0.001 0.000 1.022 192 R CA -0.709 55.405 56.100 0.023 0.000 1.021 192 R CB 2.216 32.520 30.300 0.008 0.000 1.163 192 R HN -0.077 nan 8.270 nan 0.000 0.494 193 V N 0.563 120.499 119.914 0.035 0.000 3.147 193 V HA 0.507 4.625 4.120 -0.003 0.000 0.306 193 V C -1.254 174.871 176.094 0.052 0.000 1.209 193 V CA -0.754 61.550 62.300 0.007 0.000 1.023 193 V CB 2.718 34.547 31.823 0.008 0.000 1.059 193 V HN 0.669 nan 8.190 nan 0.000 0.435 194 R N 2.473 122.966 120.500 -0.012 0.000 2.744 194 R HA 0.508 4.846 4.340 -0.003 0.000 0.279 194 R C -1.007 175.246 176.300 -0.078 0.000 0.977 194 R CA -0.781 55.304 56.100 -0.026 0.000 0.906 194 R CB 1.745 32.006 30.300 -0.065 0.000 1.197 194 R HN 0.799 nan 8.270 nan 0.000 0.463 195 N N 1.411 120.044 118.700 -0.111 0.000 2.492 195 N HA 0.031 4.770 4.740 -0.003 0.000 0.262 195 N C 0.537 175.812 175.510 -0.392 0.000 1.202 195 N CA 0.401 53.221 53.050 -0.383 0.000 0.926 195 N CB 1.476 39.526 38.487 -0.728 0.000 1.078 195 N HN 0.704 nan 8.380 nan 0.000 0.454 196 A N 2.339 124.927 122.820 -0.386 0.000 2.014 196 A HA -0.135 4.183 4.320 -0.003 0.000 0.218 196 A C 1.372 178.908 177.584 -0.080 0.000 1.163 196 A CA 0.945 52.892 52.037 -0.151 0.000 0.652 196 A CB -0.683 18.291 19.000 -0.043 0.000 0.808 196 A HN 0.816 nan 8.150 nan 0.000 0.449 197 Y N -0.141 120.194 120.300 0.059 0.000 2.517 197 Y HA 0.344 4.892 4.550 -0.003 0.000 0.281 197 Y C 0.506 176.431 175.900 0.042 0.000 1.125 197 Y CA -0.345 57.783 58.100 0.048 0.000 1.283 197 Y CB -0.250 38.245 38.460 0.058 0.000 1.042 197 Y HN 0.436 nan 8.280 nan 0.000 0.547 198 D N -1.023 119.395 120.400 0.030 0.000 2.895 198 D HA 0.232 4.870 4.640 -0.003 0.000 0.320 198 D C 0.132 176.410 176.300 -0.037 0.000 1.249 198 D CA -1.011 53.029 54.000 0.067 0.000 0.997 198 D CB 0.714 41.636 40.800 0.204 0.000 1.430 198 D HN -0.161 nan 8.370 nan 0.000 0.558 199 R N -1.045 119.438 120.500 -0.028 0.000 2.300 199 R HA 0.254 4.593 4.340 -0.003 0.000 0.199 199 R C 0.380 176.623 176.300 -0.094 0.000 0.920 199 R CA -0.059 56.010 56.100 -0.051 0.000 1.046 199 R CB -0.016 30.261 30.300 -0.039 0.000 0.984 199 R HN 0.461 nan 8.270 nan 0.000 0.493 200 R N -0.019 120.398 120.500 -0.138 0.000 2.641 200 R HA 0.169 4.507 4.340 -0.003 0.000 0.269 200 R C -0.530 175.534 176.300 -0.393 0.000 1.074 200 R CA 0.038 55.972 56.100 -0.276 0.000 1.133 200 R CB 0.758 30.837 30.300 -0.368 0.000 1.029 200 R HN 0.012 nan 8.270 nan 0.000 0.488 201 T N -0.631 113.648 114.554 -0.459 0.000 2.940 201 T HA 0.739 5.087 4.350 -0.003 0.000 0.288 201 T C -0.880 173.514 174.700 -0.511 0.000 1.045 201 T CA -0.882 60.994 62.100 -0.373 0.000 1.018 201 T CB 0.894 69.669 68.868 -0.154 0.000 1.151 201 T HN 0.702 nan 8.240 nan 0.000 0.529 202 W N -1.074 120.230 121.300 0.006 0.000 3.042 202 W HA 0.564 5.222 4.660 -0.002 0.000 0.342 202 W C -0.752 175.778 176.519 0.018 0.000 1.240 202 W CA -0.909 56.454 57.345 0.030 0.000 1.166 202 W CB 1.108 30.603 29.460 0.058 0.000 1.469 202 W HN 0.475 nan 8.180 nan 0.000 0.579 203 E N 1.965 122.353 120.200 0.313 0.000 2.146 203 E HA 0.264 4.612 4.350 -0.003 0.000 0.282 203 E C -1.050 175.647 176.600 0.162 0.000 0.989 203 E CA -1.021 55.486 56.400 0.179 0.000 0.799 203 E CB 1.858 31.642 29.700 0.141 0.000 1.088 203 E HN 0.404 nan 8.360 nan 0.000 0.397 204 L N 5.468 126.761 121.223 0.117 0.000 2.363 204 L HA 0.103 4.441 4.340 -0.003 0.000 0.286 204 L C 0.619 177.550 176.870 0.101 0.000 1.106 204 L CA 0.326 55.223 54.840 0.095 0.000 0.859 204 L CB -0.280 41.819 42.059 0.067 0.000 1.223 204 L HN 0.582 nan 8.230 nan 0.000 0.446 205 L N 4.244 125.541 121.223 0.123 0.000 1.938 205 L HA 0.078 4.416 4.340 -0.003 0.000 0.212 205 L C 0.915 177.855 176.870 0.118 0.000 1.085 205 L CA 1.022 55.932 54.840 0.117 0.000 0.760 205 L CB -0.441 41.697 42.059 0.132 0.000 0.888 205 L HN 0.708 nan 8.230 nan 0.000 0.433 206 R N -0.960 119.643 120.500 0.171 0.000 2.710 206 R HA 0.532 4.870 4.340 -0.003 0.000 0.270 206 R C -1.413 175.039 176.300 0.253 0.000 1.021 206 R CA -0.879 55.320 56.100 0.164 0.000 0.889 206 R CB 1.087 31.453 30.300 0.109 0.000 1.243 206 R HN -0.046 nan 8.270 nan 0.000 0.464 207 L N 1.082 122.420 121.223 0.191 0.000 2.436 207 L HA 0.497 4.836 4.340 -0.003 0.000 0.265 207 L C 0.787 177.835 176.870 0.297 0.000 1.168 207 L CA -0.047 54.907 54.840 0.191 0.000 0.815 207 L CB 0.996 43.125 42.059 0.117 0.000 1.109 207 L HN 0.934 nan 8.230 nan 0.000 0.462 208 G N 0.137 109.111 108.800 0.291 0.000 2.644 208 G HA2 0.434 4.392 3.960 -0.003 0.000 0.307 208 G HA3 0.434 4.392 3.960 -0.003 0.000 0.307 208 G C -0.055 174.964 174.900 0.199 0.000 1.250 208 G CA -0.240 45.090 45.100 0.383 0.000 0.996 208 G HN 0.592 nan 8.290 nan 0.000 0.489 209 E N -0.544 119.772 120.200 0.192 0.000 2.562 209 E HA 0.108 4.456 4.350 -0.003 0.000 0.214 209 E C 0.031 176.696 176.600 0.109 0.000 0.979 209 E CA 0.010 56.480 56.400 0.117 0.000 1.002 209 E CB 0.834 30.588 29.700 0.090 0.000 1.048 209 E HN 0.554 nan 8.360 nan 0.000 0.488 210 E N 1.545 121.837 120.200 0.152 0.000 2.418 210 E HA -0.001 4.347 4.350 -0.003 0.000 0.261 210 E C -0.050 176.594 176.600 0.074 0.000 1.070 210 E CA 0.109 56.584 56.400 0.125 0.000 0.931 210 E CB 0.431 30.242 29.700 0.186 0.000 0.954 210 E HN -0.146 nan 8.360 nan 0.000 0.439 211 D N 2.983 123.417 120.400 0.057 0.000 2.343 211 D HA 0.027 4.665 4.640 -0.003 0.000 0.255 211 D C -1.556 174.760 176.300 0.028 0.000 1.187 211 D CA -2.171 51.852 54.000 0.038 0.000 0.875 211 D CB 0.962 41.782 40.800 0.035 0.000 1.136 211 D HN 0.134 nan 8.370 nan 0.000 0.469 212 P HA -0.211 nan 4.420 nan 0.000 0.216 212 P C 0.608 177.921 177.300 0.022 0.000 1.150 212 P CA 1.504 64.612 63.100 0.012 0.000 0.843 212 P CB 0.034 31.744 31.700 0.017 0.000 0.787 213 K N -1.254 119.161 120.400 0.025 0.000 2.476 213 K HA 0.127 4.445 4.320 -0.003 0.000 0.196 213 K C 1.367 177.980 176.600 0.022 0.000 1.025 213 K CA 0.402 56.705 56.287 0.026 0.000 1.138 213 K CB 0.105 32.620 32.500 0.025 0.000 0.860 213 K HN -0.019 nan 8.250 nan 0.000 0.515 214 E N 0.345 120.559 120.200 0.022 0.000 2.414 214 E HA 0.068 4.416 4.350 -0.003 0.000 0.208 214 E C 0.128 176.742 176.600 0.024 0.000 0.820 214 E CA -0.220 56.194 56.400 0.023 0.000 1.143 214 E CB 0.229 29.944 29.700 0.026 0.000 1.150 214 E HN 0.206 nan 8.360 nan 0.000 0.540 215 L N 5.699 126.938 121.223 0.026 0.000 2.615 215 L HA 0.106 4.444 4.340 -0.003 0.000 0.271 215 L C -2.415 174.460 176.870 0.008 0.000 1.183 215 L CA -0.303 54.555 54.840 0.030 0.000 0.933 215 L CB 0.070 42.147 42.059 0.029 0.000 1.199 215 L HN -0.148 nan 8.230 nan 0.000 0.487 216 P HA 0.444 nan 4.420 nan 0.000 0.284 216 P C -0.660 176.623 177.300 -0.028 0.000 1.258 216 P CA -0.496 62.598 63.100 -0.009 0.000 0.824 216 P CB 1.832 33.533 31.700 0.001 0.000 1.038 217 L N 1.797 122.981 121.223 -0.065 0.000 2.301 217 L HA 0.695 5.033 4.340 -0.003 0.000 0.264 217 L C -2.330 174.487 176.870 -0.087 0.000 1.016 217 L CA -2.714 52.062 54.840 -0.107 0.000 0.821 217 L CB -0.117 41.808 42.059 -0.223 0.000 1.346 217 L HN 0.241 nan 8.230 nan 0.000 0.429 218 P HA 0.245 nan 4.420 nan 0.000 0.252 218 P C 1.029 178.290 177.300 -0.066 0.000 1.136 218 P CA 2.234 65.295 63.100 -0.064 0.000 0.778 218 P CB 0.100 31.758 31.700 -0.070 0.000 0.722 219 G N 2.523 111.299 108.800 -0.040 0.000 3.031 219 G HA2 0.029 3.987 3.960 -0.003 0.000 0.198 219 G HA3 0.029 3.987 3.960 -0.003 0.000 0.198 219 G C 0.758 175.645 174.900 -0.021 0.000 1.242 219 G CA 0.243 45.326 45.100 -0.030 0.000 0.878 219 G HN 0.943 nan 8.290 nan 0.000 0.493 220 G N -0.444 108.341 108.800 -0.025 0.000 2.624 220 G HA2 0.013 3.971 3.960 -0.003 0.000 0.190 220 G HA3 0.013 3.971 3.960 -0.003 0.000 0.190 220 G C 0.482 175.374 174.900 -0.013 0.000 1.008 220 G CA 0.422 45.513 45.100 -0.014 0.000 0.731 220 G HN 1.408 nan 8.290 nan 0.000 0.478 221 L N 3.107 124.319 121.223 -0.017 0.000 2.578 221 L HA 0.407 4.745 4.340 -0.003 0.000 0.279 221 L C 1.275 178.139 176.870 -0.010 0.000 1.227 221 L CA 0.771 55.608 54.840 -0.005 0.000 0.900 221 L CB 0.878 42.940 42.059 0.005 0.000 1.144 221 L HN 0.484 nan 8.230 nan 0.000 0.496 222 S N 5.425 121.130 115.700 0.009 0.000 2.560 222 S HA -0.024 4.445 4.470 -0.003 0.000 0.284 222 S C 1.238 175.849 174.600 0.019 0.000 1.327 222 S CA -0.493 57.713 58.200 0.011 0.000 1.055 222 S CB 0.817 64.030 63.200 0.021 0.000 0.868 222 S HN 0.756 nan 8.310 nan 0.000 0.506 223 L N 3.895 125.118 121.223 -0.001 0.000 1.971 223 L HA -0.120 4.218 4.340 -0.003 0.000 0.215 223 L C 2.153 179.079 176.870 0.093 0.000 1.072 223 L CA 2.467 57.307 54.840 -0.000 0.000 0.758 223 L CB -1.123 40.918 42.059 -0.030 0.000 0.889 223 L HN 0.905 nan 8.230 nan 0.000 0.433 224 L N 0.861 122.135 121.223 0.085 0.000 1.932 224 L HA -0.283 4.055 4.340 -0.003 0.000 0.217 224 L C 2.160 179.090 176.870 0.099 0.000 1.077 224 L CA 2.458 57.363 54.840 0.109 0.000 0.765 224 L CB -1.039 41.059 42.059 0.065 0.000 0.888 224 L HN 0.273 nan 8.230 nan 0.000 0.433 225 D N -1.759 118.679 120.400 0.063 0.000 2.244 225 D HA -0.308 4.331 4.640 -0.003 0.000 0.197 225 D C 1.925 178.251 176.300 0.043 0.000 1.006 225 D CA 1.817 55.843 54.000 0.044 0.000 0.888 225 D CB -0.340 40.481 40.800 0.035 0.000 0.912 225 D HN 0.619 nan 8.370 nan 0.000 0.452 226 Y N 0.403 120.647 120.300 -0.094 0.000 2.181 226 Y HA -0.239 4.310 4.550 -0.002 0.000 0.288 226 Y C 2.256 178.029 175.900 -0.213 0.000 1.146 226 Y CA 1.721 59.715 58.100 -0.178 0.000 1.164 226 Y CB -0.269 38.026 38.460 -0.275 0.000 0.982 226 Y HN 0.155 nan 8.280 nan 0.000 0.515 227 H N -0.396 118.512 119.070 -0.270 0.000 2.343 227 H HA 0.056 4.610 4.556 -0.003 0.000 0.303 227 H C 2.420 177.597 175.328 -0.253 0.000 1.068 227 H CA 1.217 57.035 56.048 -0.383 0.000 1.359 227 H CB -0.776 28.891 29.762 -0.159 0.000 1.402 227 H HN 0.472 nan 8.280 nan 0.000 0.515 228 A N 1.205 124.029 122.820 0.007 0.000 1.948 228 A HA -0.255 4.063 4.320 -0.003 0.000 0.220 228 A C 2.832 180.381 177.584 -0.058 0.000 1.177 228 A CA 2.521 54.550 52.037 -0.013 0.000 0.636 228 A CB -1.146 17.859 19.000 0.009 0.000 0.815 228 A HN 0.581 nan 8.150 nan 0.000 0.449 229 S N 0.052 115.697 115.700 -0.092 0.000 2.374 229 S HA -0.223 4.245 4.470 -0.003 0.000 0.227 229 S C 1.921 176.447 174.600 -0.123 0.000 1.037 229 S CA 1.900 60.041 58.200 -0.098 0.000 1.024 229 S CB -0.376 62.759 63.200 -0.109 0.000 0.861 229 S HN 0.640 nan 8.310 nan 0.000 0.456 230 K N 0.014 120.299 120.400 -0.193 0.000 2.487 230 K HA 0.275 4.593 4.320 -0.003 0.000 0.192 230 K C 1.278 177.805 176.600 -0.122 0.000 1.027 230 K CA 0.348 56.522 56.287 -0.188 0.000 1.054 230 K CB -0.126 32.188 32.500 -0.311 0.000 0.824 230 K HN 0.556 nan 8.250 nan 0.000 0.510 231 G N 2.682 111.432 108.800 -0.084 0.000 2.189 231 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.267 231 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.267 231 G C 0.795 175.677 174.900 -0.031 0.000 0.975 231 G CA 0.676 45.749 45.100 -0.046 0.000 0.644 231 G HN 0.435 nan 8.290 nan 0.000 0.537 232 R N 0.320 120.790 120.500 -0.050 0.000 2.319 232 R HA 0.336 4.675 4.340 -0.003 0.000 0.204 232 R C 1.542 177.855 176.300 0.022 0.000 0.954 232 R CA 0.440 56.537 56.100 -0.006 0.000 1.066 232 R CB -0.200 30.067 30.300 -0.055 0.000 0.991 232 R HN 0.472 nan 8.270 nan 0.000 0.486 233 L N 0.413 121.642 121.223 0.010 0.000 2.664 233 L HA 0.195 4.533 4.340 -0.003 0.000 0.233 233 L C 0.297 177.179 176.870 0.020 0.000 1.113 233 L CA 0.037 54.888 54.840 0.019 0.000 0.896 233 L CB 0.343 42.415 42.059 0.023 0.000 1.163 233 L HN 0.171 nan 8.230 nan 0.000 0.497 234 Q N 0.623 120.433 119.800 0.016 0.000 2.262 234 Q HA 0.125 4.463 4.340 -0.003 0.000 0.272 234 Q C 1.030 177.043 176.000 0.021 0.000 1.076 234 Q CA 0.944 56.756 55.803 0.015 0.000 0.905 234 Q CB 0.683 29.427 28.738 0.010 0.000 1.182 234 Q HN 0.464 nan 8.270 nan 0.000 0.390 235 G N 3.327 112.139 108.800 0.021 0.000 2.176 235 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.253 235 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.253 235 G C 0.265 175.182 174.900 0.028 0.000 0.979 235 G CA 0.167 45.281 45.100 0.024 0.000 0.641 235 G HN 0.523 nan 8.290 nan 0.000 0.530 236 R N -0.392 120.126 120.500 0.029 0.000 2.960 236 R HA 0.760 5.098 4.340 -0.003 0.000 0.249 236 R C -0.337 175.979 176.300 0.028 0.000 1.192 236 R CA -0.013 56.106 56.100 0.032 0.000 1.035 236 R CB 1.183 31.505 30.300 0.037 0.000 1.234 236 R HN 0.502 nan 8.270 nan 0.000 0.493 237 E N 0.031 120.248 120.200 0.028 0.000 2.768 237 E HA 0.287 4.636 4.350 -0.003 0.000 0.290 237 E C -0.267 176.348 176.600 0.026 0.000 1.100 237 E CA -0.540 55.876 56.400 0.026 0.000 0.768 237 E CB 1.244 30.960 29.700 0.027 0.000 1.501 237 E HN 0.816 nan 8.360 nan 0.000 0.384 238 G N 1.333 110.148 108.800 0.025 0.000 2.404 238 G HA2 0.438 4.396 3.960 -0.003 0.000 0.289 238 G HA3 0.438 4.396 3.960 -0.003 0.000 0.289 238 G C 0.888 175.803 174.900 0.025 0.000 1.074 238 G CA 0.591 45.706 45.100 0.024 0.000 1.210 238 G HN 0.800 nan 8.290 nan 0.000 0.434 239 G N 2.282 111.096 108.800 0.023 0.000 3.048 239 G HA2 0.176 4.135 3.960 -0.003 0.000 0.151 239 G HA3 0.176 4.135 3.960 -0.003 0.000 0.151 239 G C 0.784 175.695 174.900 0.018 0.000 1.803 239 G CA -0.753 44.361 45.100 0.023 0.000 1.047 239 G HN 0.683 nan 8.290 nan 0.000 0.513 240 R N -1.313 119.198 120.500 0.018 0.000 2.861 240 R HA 0.227 4.565 4.340 -0.003 0.000 0.268 240 R C -0.171 176.118 176.300 -0.017 0.000 1.027 240 R CA -0.385 55.722 56.100 0.012 0.000 1.163 240 R CB 0.311 30.626 30.300 0.025 0.000 1.060 240 R HN 0.126 nan 8.270 nan 0.000 0.483 241 V N 0.987 120.879 119.914 -0.037 0.000 2.732 241 V HA 0.427 4.545 4.120 -0.003 0.000 0.297 241 V C 0.226 176.222 176.094 -0.164 0.000 1.060 241 V CA -0.079 62.139 62.300 -0.138 0.000 1.038 241 V CB 1.341 33.061 31.823 -0.171 0.000 1.003 241 V HN 0.885 nan 8.190 nan 0.000 0.481 242 A N 3.843 126.489 122.820 -0.291 0.000 2.449 242 A HA 0.757 5.075 4.320 -0.003 0.000 0.302 242 A C -1.675 175.671 177.584 -0.396 0.000 1.048 242 A CA -0.616 51.298 52.037 -0.203 0.000 0.708 242 A CB 1.021 19.953 19.000 -0.113 0.000 1.274 242 A HN 0.793 nan 8.150 nan 0.000 0.410 243 W N 1.794 123.089 121.300 -0.008 0.000 2.429 243 W HA 0.544 5.203 4.660 -0.000 0.000 0.314 243 W C 0.221 176.715 176.519 -0.041 0.000 1.062 243 W CA -0.276 57.055 57.345 -0.025 0.000 1.211 243 W CB 2.047 31.501 29.460 -0.010 0.000 1.305 243 W HN 0.784 nan 8.180 nan 0.000 0.476 244 V N 0.483 120.460 119.914 0.104 0.000 3.156 244 V HA 1.015 5.133 4.120 -0.003 0.000 0.311 244 V C -0.823 175.326 176.094 0.092 0.000 1.208 244 V CA -1.446 60.876 62.300 0.037 0.000 1.063 244 V CB 1.492 33.197 31.823 -0.196 0.000 1.098 244 V HN 0.723 nan 8.190 nan 0.000 0.452 245 A N 0.670 123.602 122.820 0.186 0.000 2.549 245 A HA 0.705 5.023 4.320 -0.003 0.000 0.297 245 A C -1.241 176.592 177.584 0.414 0.000 1.061 245 A CA -0.300 51.883 52.037 0.244 0.000 0.690 245 A CB 1.512 20.618 19.000 0.176 0.000 1.287 245 A HN 1.185 nan 8.150 nan 0.000 0.402 246 D N 1.429 122.083 120.400 0.423 0.000 2.389 246 D HA 0.421 5.060 4.640 -0.003 0.000 0.247 246 D C -2.139 174.277 176.300 0.194 0.000 1.128 246 D CA -1.148 53.080 54.000 0.380 0.000 0.884 246 D CB 0.983 41.977 40.800 0.323 0.000 1.194 246 D HN 0.122 nan 8.370 nan 0.000 0.441 247 P HA 0.152 nan 4.420 nan 0.000 0.249 247 P C -0.350 176.981 177.300 0.053 0.000 1.686 247 P CA 0.495 63.637 63.100 0.069 0.000 0.873 247 P CB 0.007 31.723 31.700 0.027 0.000 1.828 248 K N -1.866 118.577 120.400 0.072 0.000 2.658 248 K HA 0.359 4.678 4.320 -0.003 0.000 0.202 248 K C 0.666 177.307 176.600 0.067 0.000 1.563 248 K CA 0.876 57.199 56.287 0.060 0.000 1.129 248 K CB -0.347 32.189 32.500 0.060 0.000 1.507 248 K HN 0.183 nan 8.250 nan 0.000 0.581 249 D N 1.827 122.279 120.400 0.086 0.000 2.714 249 D HA 0.365 5.003 4.640 -0.003 0.000 0.264 249 D C -2.356 173.999 176.300 0.092 0.000 1.231 249 D CA -0.333 53.715 54.000 0.080 0.000 0.802 249 D CB 1.017 41.865 40.800 0.080 0.000 1.319 249 D HN 0.105 nan 8.370 nan 0.000 0.528 250 P HA 0.022 nan 4.420 nan 0.000 0.274 250 P C 1.286 178.629 177.300 0.072 0.000 1.370 250 P CA 0.880 64.033 63.100 0.089 0.000 0.760 250 P CB 0.003 31.747 31.700 0.073 0.000 1.308 251 R N 0.498 121.036 120.500 0.064 0.000 2.191 251 R HA 0.120 4.458 4.340 -0.003 0.000 0.196 251 R C 1.448 177.774 176.300 0.044 0.000 0.991 251 R CA 0.366 56.493 56.100 0.044 0.000 1.075 251 R CB -0.582 29.738 30.300 0.034 0.000 1.040 251 R HN 0.107 nan 8.270 nan 0.000 0.526 252 K N 3.315 123.753 120.400 0.062 0.000 2.262 252 K HA 0.158 4.476 4.320 -0.003 0.000 0.288 252 K C -2.359 174.297 176.600 0.094 0.000 1.090 252 K CA -1.947 54.379 56.287 0.064 0.000 0.918 252 K CB 0.938 33.482 32.500 0.073 0.000 1.139 252 K HN 0.179 nan 8.250 nan 0.000 0.462 253 P HA 0.076 nan 4.420 nan 0.000 0.271 253 P C -0.548 176.937 177.300 0.309 0.000 1.220 253 P CA -0.186 63.020 63.100 0.177 0.000 0.768 253 P CB 0.709 32.429 31.700 0.033 0.000 0.848 254 I N 5.287 126.033 120.570 0.294 0.000 2.530 254 I HA 0.379 4.547 4.170 -0.003 0.000 0.297 254 I C -2.180 173.907 176.117 -0.050 0.000 1.011 254 I CA -3.289 58.089 61.300 0.130 0.000 1.107 254 I CB 1.594 39.533 38.000 -0.100 0.000 1.285 254 I HN 0.197 nan 8.210 nan 0.000 0.436 255 P HA 0.356 nan 4.420 nan 0.000 0.284 255 P C -1.136 175.905 177.300 -0.432 0.000 1.253 255 P CA 0.139 62.752 63.100 -0.811 0.000 0.800 255 P CB 1.456 32.714 31.700 -0.737 0.000 0.961 256 H N 0.669 119.444 119.070 -0.492 0.000 2.990 256 H HA 0.534 5.088 4.556 -0.003 0.000 0.336 256 H C -0.921 174.282 175.328 -0.208 0.000 1.306 256 H CA -0.904 54.998 56.048 -0.244 0.000 1.118 256 H CB 1.456 31.036 29.762 -0.303 0.000 1.856 256 H HN 0.194 nan 8.280 nan 0.000 0.538 257 L N 1.699 123.085 121.223 0.272 0.000 2.309 257 L HA 0.214 4.553 4.340 -0.003 0.000 0.282 257 L C 1.520 178.383 176.870 -0.012 0.000 1.036 257 L CA -0.225 54.658 54.840 0.073 0.000 0.806 257 L CB 1.829 43.936 42.059 0.080 0.000 1.220 257 L HN 0.880 nan 8.230 nan 0.000 0.429 258 T N -1.818 112.716 114.554 -0.035 0.000 2.881 258 T HA -0.121 4.227 4.350 -0.003 0.000 0.270 258 T C 1.641 176.325 174.700 -0.027 0.000 1.068 258 T CA 1.023 63.098 62.100 -0.041 0.000 1.131 258 T CB -0.324 68.543 68.868 -0.003 0.000 0.871 258 T HN 0.786 nan 8.240 nan 0.000 0.479 259 G N 0.870 109.667 108.800 -0.005 0.000 2.598 259 G HA2 0.178 4.136 3.960 -0.003 0.000 0.215 259 G HA3 0.178 4.136 3.960 -0.003 0.000 0.215 259 G C 1.186 176.083 174.900 -0.004 0.000 1.131 259 G CA 0.118 45.221 45.100 0.006 0.000 0.785 259 G HN 0.568 nan 8.290 nan 0.000 0.539 260 L N 0.095 121.304 121.223 -0.023 0.000 2.857 260 L HA 0.463 4.801 4.340 -0.003 0.000 0.249 260 L C 0.042 176.835 176.870 -0.128 0.000 1.172 260 L CA -0.107 54.727 54.840 -0.011 0.000 0.980 260 L CB 0.224 42.323 42.059 0.067 0.000 1.299 260 L HN 0.044 nan 8.230 nan 0.000 0.535 261 L N -0.348 120.769 121.223 -0.177 0.000 2.319 261 L HA 0.641 4.979 4.340 -0.003 0.000 0.267 261 L C -0.725 176.060 176.870 -0.141 0.000 1.011 261 L CA -0.897 53.804 54.840 -0.232 0.000 0.818 261 L CB 2.779 44.657 42.059 -0.301 0.000 1.316 261 L HN -0.325 nan 8.230 nan 0.000 0.432 262 V N 1.931 121.762 119.914 -0.140 0.000 2.577 262 V HA 0.353 4.471 4.120 -0.003 0.000 0.303 262 V C -2.275 173.700 176.094 -0.198 0.000 1.042 262 V CA -1.613 60.599 62.300 -0.147 0.000 0.872 262 V CB 2.087 33.842 31.823 -0.113 0.000 0.998 262 V HN 0.586 nan 8.190 nan 0.000 0.423 263 P HA 0.066 nan 4.420 nan 0.000 0.268 263 P C -0.323 176.755 177.300 -0.370 0.000 1.204 263 P CA 0.178 63.036 63.100 -0.403 0.000 0.768 263 P CB 1.132 32.346 31.700 -0.810 0.000 0.842 264 V N 5.770 125.538 119.914 -0.243 0.000 2.313 264 V HA 0.054 4.172 4.120 -0.003 0.000 0.252 264 V C 1.061 177.023 176.094 -0.220 0.000 1.112 264 V CA -0.125 62.059 62.300 -0.194 0.000 0.984 264 V CB -0.569 31.188 31.823 -0.111 0.000 1.157 264 V HN 0.418 nan 8.190 nan 0.000 0.493 265 L N 4.146 125.195 121.223 -0.290 0.000 2.473 265 L HA 0.361 4.699 4.340 -0.003 0.000 0.268 265 L C 0.521 177.273 176.870 -0.197 0.000 1.215 265 L CA 0.299 54.972 54.840 -0.278 0.000 0.823 265 L CB 0.558 42.407 42.059 -0.349 0.000 1.099 265 L HN 0.503 nan 8.230 nan 0.000 0.483 266 T N 2.688 117.138 114.554 -0.173 0.000 3.223 266 T HA 0.278 4.627 4.350 -0.003 0.000 0.334 266 T C -0.216 174.390 174.700 -0.157 0.000 0.940 266 T CA -0.608 61.407 62.100 -0.143 0.000 1.272 266 T CB 0.302 69.115 68.868 -0.091 0.000 0.982 266 T HN 0.473 nan 8.240 nan 0.000 0.512 267 L N 3.433 124.528 121.223 -0.214 0.000 3.889 267 L HA -0.238 4.100 4.340 -0.003 0.000 0.559 267 L C 0.757 177.509 176.870 -0.196 0.000 1.138 267 L CA 0.865 55.570 54.840 -0.225 0.000 0.801 267 L CB -0.902 41.071 42.059 -0.144 0.000 1.241 267 L HN 0.845 nan 8.230 nan 0.000 0.787 268 E N -1.470 118.565 120.200 -0.275 0.000 3.293 268 E HA 0.244 4.592 4.350 -0.003 0.000 0.174 268 E C 0.103 176.524 176.600 -0.299 0.000 0.958 268 E CA 0.227 56.526 56.400 -0.170 0.000 1.352 268 E CB 0.322 29.987 29.700 -0.057 0.000 1.066 268 E HN 0.476 nan 8.360 nan 0.000 0.448 269 D N 2.168 122.244 120.400 -0.540 0.000 2.342 269 D HA 0.252 4.890 4.640 -0.003 0.000 0.260 269 D C 0.558 176.852 176.300 -0.009 0.000 1.278 269 D CA -0.071 53.448 54.000 -0.803 0.000 0.910 269 D CB 0.305 40.498 40.800 -1.010 0.000 1.079 269 D HN 0.307 nan 8.370 nan 0.000 0.496 270 L N 1.057 122.453 121.223 0.288 0.000 2.928 270 L HA 0.514 4.852 4.340 -0.003 0.000 0.246 270 L C 0.924 177.954 176.870 0.267 0.000 1.239 270 L CA -0.002 54.977 54.840 0.231 0.000 1.035 270 L CB -0.820 41.342 42.059 0.172 0.000 1.360 270 L HN 0.889 nan 8.230 nan 0.000 0.529 271 H N -1.344 117.958 119.070 0.387 0.000 2.969 271 H HA 0.714 5.268 4.556 -0.003 0.000 0.304 271 H C -1.009 174.470 175.328 0.252 0.000 1.400 271 H CA -0.277 55.906 56.048 0.225 0.000 1.182 271 H CB 1.102 30.935 29.762 0.118 0.000 1.865 271 H HN -0.021 nan 8.280 nan 0.000 0.512 272 E N -0.429 119.823 120.200 0.086 0.000 2.621 272 E HA 0.593 4.941 4.350 -0.003 0.000 0.263 272 E C -0.155 176.413 176.600 -0.053 0.000 1.033 272 E CA 0.499 56.924 56.400 0.041 0.000 0.778 272 E CB 0.124 29.886 29.700 0.105 0.000 1.426 272 E HN 1.706 nan 8.360 nan 0.000 0.394 273 E N -0.350 119.762 120.200 -0.148 0.000 2.419 273 E HA 0.475 4.823 4.350 -0.003 0.000 0.190 273 E C 1.036 177.563 176.600 -0.121 0.000 1.040 273 E CA 1.225 57.548 56.400 -0.129 0.000 0.900 273 E CB 0.009 29.613 29.700 -0.160 0.000 1.054 273 E HN 0.986 nan 8.360 nan 0.000 0.462 274 E N -1.498 118.638 120.200 -0.108 0.000 2.617 274 E HA 0.527 4.876 4.350 -0.003 0.000 0.208 274 E C 0.998 177.557 176.600 -0.068 0.000 0.888 274 E CA 0.706 57.051 56.400 -0.090 0.000 1.485 274 E CB 0.648 30.289 29.700 -0.098 0.000 1.482 274 E HN 1.324 nan 8.360 nan 0.000 0.813 275 G N -0.641 108.149 108.800 -0.018 0.000 2.313 275 G HA2 0.430 4.389 3.960 -0.003 0.000 0.296 275 G HA3 0.430 4.389 3.960 -0.003 0.000 0.296 275 G C -0.507 174.437 174.900 0.074 0.000 1.356 275 G CA 0.199 45.300 45.100 0.000 0.000 0.833 275 G HN 0.711 nan 8.290 nan 0.000 0.552 276 S N -1.781 113.955 115.700 0.060 0.000 2.603 276 S HA 0.533 5.001 4.470 -0.003 0.000 0.268 276 S C 1.963 176.619 174.600 0.093 0.000 1.317 276 S CA 0.508 58.752 58.200 0.073 0.000 1.012 276 S CB 0.817 64.045 63.200 0.046 0.000 0.926 276 S HN 2.029 nan 8.310 nan 0.000 0.539 277 L N 2.277 123.535 121.223 0.058 0.000 2.675 277 L HA 0.584 4.922 4.340 -0.003 0.000 0.238 277 L C 1.504 178.362 176.870 -0.020 0.000 1.155 277 L CA 1.074 55.916 54.840 0.004 0.000 0.881 277 L CB -2.349 39.697 42.059 -0.020 0.000 1.008 277 L HN 0.965 nan 8.230 nan 0.000 0.443 278 A N -0.230 122.604 122.820 0.024 0.000 2.569 278 A HA 0.466 4.784 4.320 -0.003 0.000 0.288 278 A C 1.325 178.906 177.584 -0.004 0.000 1.326 278 A CA 0.794 52.853 52.037 0.037 0.000 0.978 278 A CB -0.943 18.099 19.000 0.071 0.000 1.054 278 A HN 1.802 nan 8.150 nan 0.000 0.558 279 L N 2.630 123.847 121.223 -0.011 0.000 2.607 279 L HA 0.411 4.749 4.340 -0.003 0.000 0.228 279 L C 1.339 178.367 176.870 0.265 0.000 1.123 279 L CA 1.052 55.909 54.840 0.029 0.000 0.890 279 L CB -1.879 40.198 42.059 0.029 0.000 1.103 279 L HN 1.012 nan 8.230 nan 0.000 0.468 280 S N -0.725 115.078 115.700 0.172 0.000 2.730 280 S HA 0.891 5.359 4.470 -0.003 0.000 0.284 280 S C -0.540 174.166 174.600 0.177 0.000 1.153 280 S CA -0.626 57.671 58.200 0.162 0.000 0.995 280 S CB 1.646 64.912 63.200 0.111 0.000 1.058 280 S HN 0.467 nan 8.310 nan 0.000 0.552 281 L N 0.629 121.938 121.223 0.143 0.000 2.465 281 L HA 0.585 4.923 4.340 -0.003 0.000 0.257 281 L C -2.688 174.251 176.870 0.115 0.000 0.988 281 L CA -2.414 52.502 54.840 0.126 0.000 0.827 281 L CB 2.788 44.916 42.059 0.116 0.000 1.397 281 L HN 0.531 nan 8.230 nan 0.000 0.410 282 P HA 0.016 nan 4.420 nan 0.000 0.277 282 P C 0.453 177.789 177.300 0.060 0.000 1.240 282 P CA -0.463 62.665 63.100 0.047 0.000 0.798 282 P CB 0.707 32.375 31.700 -0.054 0.000 0.979 283 W N 4.509 125.872 121.300 0.104 0.000 2.364 283 W HA -0.143 4.515 4.660 -0.003 0.000 0.281 283 W C 0.683 177.205 176.519 0.006 0.000 1.219 283 W CA 1.489 58.924 57.345 0.149 0.000 1.220 283 W CB -0.965 28.624 29.460 0.215 0.000 1.127 283 W HN 0.345 nan 8.180 nan 0.000 0.556 284 E N 0.910 120.624 120.200 -0.810 0.000 2.472 284 E HA 0.041 4.389 4.350 -0.003 0.000 0.196 284 E C 1.872 178.234 176.600 -0.397 0.000 1.033 284 E CA 1.235 57.165 56.400 -0.782 0.000 0.886 284 E CB -0.843 28.066 29.700 -1.317 0.000 0.944 284 E HN 0.459 nan 8.360 nan 0.000 0.492 285 E N 2.598 122.630 120.200 -0.281 0.000 2.060 285 E HA -0.086 4.262 4.350 -0.003 0.000 0.189 285 E C 2.078 178.624 176.600 -0.091 0.000 0.974 285 E CA 1.242 57.550 56.400 -0.153 0.000 0.808 285 E CB -0.720 28.922 29.700 -0.097 0.000 0.768 285 E HN 0.402 nan 8.360 nan 0.000 0.453 286 R N 0.158 120.632 120.500 -0.044 0.000 2.115 286 R HA 0.013 4.352 4.340 -0.003 0.000 0.226 286 R C 2.485 178.765 176.300 -0.032 0.000 1.100 286 R CA 1.385 57.495 56.100 0.017 0.000 0.980 286 R CB -0.289 30.082 30.300 0.118 0.000 0.875 286 R HN 0.328 nan 8.270 nan 0.000 0.445 287 R N 0.646 121.013 120.500 -0.222 0.000 2.073 287 R HA -0.108 4.230 4.340 -0.003 0.000 0.234 287 R C 2.398 178.578 176.300 -0.199 0.000 1.134 287 R CA 1.531 57.328 56.100 -0.504 0.000 0.952 287 R CB -0.322 29.435 30.300 -0.906 0.000 0.850 287 R HN 0.235 nan 8.270 nan 0.000 0.433 288 R N 1.008 121.409 120.500 -0.164 0.000 2.080 288 R HA -0.122 4.217 4.340 -0.003 0.000 0.236 288 R C 2.121 178.386 176.300 -0.058 0.000 1.137 288 R CA 1.745 57.784 56.100 -0.102 0.000 0.943 288 R CB -0.339 29.897 30.300 -0.107 0.000 0.846 288 R HN 0.297 nan 8.270 nan 0.000 0.431 289 R N -0.385 120.087 120.500 -0.046 0.000 2.159 289 R HA -0.079 4.259 4.340 -0.003 0.000 0.237 289 R C 2.226 178.523 176.300 -0.006 0.000 1.131 289 R CA 1.806 57.891 56.100 -0.026 0.000 0.982 289 R CB -0.329 29.962 30.300 -0.015 0.000 0.868 289 R HN 0.345 nan 8.270 nan 0.000 0.453 290 T N 0.725 115.298 114.554 0.032 0.000 2.668 290 T HA -0.094 4.255 4.350 -0.003 0.000 0.262 290 T C 1.804 176.529 174.700 0.042 0.000 1.045 290 T CA 0.964 63.126 62.100 0.103 0.000 1.152 290 T CB -0.149 68.876 68.868 0.263 0.000 0.864 290 T HN 0.285 nan 8.240 nan 0.000 0.419 291 R N 1.145 121.688 120.500 0.072 0.000 2.119 291 R HA -0.162 4.177 4.340 -0.003 0.000 0.246 291 R C 2.400 178.631 176.300 -0.116 0.000 1.146 291 R CA 1.676 57.774 56.100 -0.004 0.000 0.962 291 R CB -0.404 29.910 30.300 0.023 0.000 0.863 291 R HN 0.627 nan 8.270 nan 0.000 0.442 292 E N 0.611 120.772 120.200 -0.065 0.000 1.997 292 E HA -0.187 4.161 4.350 -0.003 0.000 0.201 292 E C 2.079 178.658 176.600 -0.034 0.000 1.011 292 E CA 1.041 57.410 56.400 -0.051 0.000 0.847 292 E CB -0.218 29.454 29.700 -0.047 0.000 0.787 292 E HN 0.113 nan 8.360 nan 0.000 0.472 293 I N 1.397 121.958 120.570 -0.014 0.000 2.182 293 I HA -0.359 3.810 4.170 -0.003 0.000 0.248 293 I C 2.513 178.648 176.117 0.030 0.000 1.073 293 I CA 1.770 63.115 61.300 0.076 0.000 1.335 293 I CB -1.531 36.496 38.000 0.045 0.000 1.031 293 I HN 0.170 nan 8.210 nan 0.000 0.420 294 A N -0.298 122.400 122.820 -0.203 0.000 1.902 294 A HA -0.233 4.086 4.320 -0.003 0.000 0.217 294 A C 2.601 179.974 177.584 -0.351 0.000 1.181 294 A CA 2.244 54.004 52.037 -0.462 0.000 0.623 294 A CB -0.812 17.424 19.000 -1.274 0.000 0.818 294 A HN 0.475 nan 8.150 nan 0.000 0.443 295 S N -1.748 113.806 115.700 -0.244 0.000 2.356 295 S HA -0.200 4.268 4.470 -0.003 0.000 0.223 295 S C 1.663 176.242 174.600 -0.035 0.000 1.032 295 S CA 1.701 59.822 58.200 -0.133 0.000 1.005 295 S CB -0.518 62.637 63.200 -0.075 0.000 0.867 295 S HN 0.742 nan 8.310 nan 0.000 0.449 296 W N 2.248 123.459 121.300 -0.148 0.000 2.322 296 W HA -0.094 4.564 4.660 -0.003 0.000 0.326 296 W C 1.869 178.319 176.519 -0.116 0.000 1.224 296 W CA 1.480 58.758 57.345 -0.111 0.000 1.257 296 W CB -0.932 28.470 29.460 -0.096 0.000 1.174 296 W HN 0.207 nan 8.180 nan 0.000 0.460 297 I N 1.510 121.876 120.570 -0.340 0.000 2.113 297 I HA -0.311 3.857 4.170 -0.003 0.000 0.242 297 I C 2.515 178.364 176.117 -0.447 0.000 1.057 297 I CA 2.287 63.222 61.300 -0.608 0.000 1.314 297 I CB -2.087 35.725 38.000 -0.313 0.000 1.022 297 I HN 0.332 nan 8.210 nan 0.000 0.408 298 G N -0.139 108.483 108.800 -0.298 0.000 2.450 298 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.220 298 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.220 298 G C 1.854 176.618 174.900 -0.225 0.000 1.130 298 G CA 1.003 45.958 45.100 -0.241 0.000 0.760 298 G HN 0.281 nan 8.290 nan 0.000 0.557 299 R N 1.191 121.553 120.500 -0.231 0.000 2.082 299 R HA -0.090 4.248 4.340 -0.003 0.000 0.234 299 R C 2.617 178.787 176.300 -0.217 0.000 1.136 299 R CA 1.815 57.806 56.100 -0.181 0.000 0.935 299 R CB -0.291 29.931 30.300 -0.130 0.000 0.842 299 R HN 0.421 nan 8.270 nan 0.000 0.430 300 R N 0.587 120.883 120.500 -0.341 0.000 2.313 300 R HA 0.029 4.367 4.340 -0.003 0.000 0.199 300 R C 1.628 177.768 176.300 -0.267 0.000 0.958 300 R CA 0.594 56.515 56.100 -0.299 0.000 1.047 300 R CB -0.164 29.907 30.300 -0.382 0.000 0.955 300 R HN 0.326 nan 8.270 nan 0.000 0.481 301 L N 0.468 121.528 121.223 -0.272 0.000 2.202 301 L HA 0.163 4.502 4.340 -0.003 0.000 0.205 301 L C 1.034 177.786 176.870 -0.197 0.000 1.083 301 L CA 1.084 55.777 54.840 -0.245 0.000 0.790 301 L CB -0.187 41.709 42.059 -0.272 0.000 0.942 301 L HN 0.565 nan 8.230 nan 0.000 0.452 302 G N 0.232 108.930 108.800 -0.170 0.000 2.182 302 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.248 302 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.248 302 G C 0.438 175.267 174.900 -0.118 0.000 1.042 302 G CA 0.134 45.159 45.100 -0.125 0.000 0.775 302 G HN 0.302 nan 8.290 nan 0.000 0.501 303 L N -0.087 121.054 121.223 -0.136 0.000 2.728 303 L HA 0.511 4.850 4.340 -0.003 0.000 0.238 303 L C 1.497 178.349 176.870 -0.030 0.000 1.143 303 L CA 0.375 55.155 54.840 -0.100 0.000 0.937 303 L CB -0.058 41.871 42.059 -0.216 0.000 1.225 303 L HN 1.147 nan 8.230 nan 0.000 0.507 304 G N -0.141 108.632 108.800 -0.046 0.000 2.661 304 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.685 304 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.685 304 G C -0.318 174.564 174.900 -0.031 0.000 1.298 304 G CA -0.857 44.228 45.100 -0.024 0.000 0.855 304 G HN -0.076 nan 8.290 nan 0.000 0.560 305 T N 3.666 118.210 114.554 -0.017 0.000 2.916 305 T HA 0.478 4.826 4.350 -0.003 0.000 0.303 305 T C -1.558 173.144 174.700 0.004 0.000 1.025 305 T CA 0.398 62.488 62.100 -0.016 0.000 1.142 305 T CB 1.107 69.974 68.868 -0.003 0.000 0.947 305 T HN 0.635 nan 8.240 nan 0.000 0.544 306 P HA 0.191 nan 4.420 nan 0.000 0.282 306 P C -0.643 176.754 177.300 0.161 0.000 1.262 306 P CA -0.293 62.840 63.100 0.055 0.000 0.773 306 P CB 0.727 32.371 31.700 -0.094 0.000 0.879 307 E N 2.953 123.265 120.200 0.186 0.000 2.092 307 E HA 0.458 4.807 4.350 -0.003 0.000 0.271 307 E C -0.538 176.145 176.600 0.140 0.000 0.919 307 E CA -0.948 55.543 56.400 0.152 0.000 0.760 307 E CB 0.895 30.648 29.700 0.087 0.000 1.106 307 E HN 0.471 nan 8.360 nan 0.000 0.408 308 A N 3.940 126.809 122.820 0.082 0.000 2.524 308 A HA 0.173 4.491 4.320 -0.003 0.000 0.250 308 A C 0.335 177.887 177.584 -0.054 0.000 1.078 308 A CA -0.300 51.574 52.037 -0.272 0.000 0.761 308 A CB 0.276 19.028 19.000 -0.412 0.000 1.012 308 A HN 0.614 nan 8.150 nan 0.000 0.500 309 V N 2.957 122.824 119.914 -0.077 0.000 2.488 309 V HA 0.413 4.531 4.120 -0.003 0.000 0.277 309 V C 0.367 176.543 176.094 0.136 0.000 1.046 309 V CA -0.564 61.761 62.300 0.041 0.000 0.986 309 V CB 0.329 32.151 31.823 -0.001 0.000 0.989 309 V HN 0.857 nan 8.190 nan 0.000 0.475 310 R N 4.048 124.610 120.500 0.103 0.000 2.490 310 R HA 0.771 5.109 4.340 -0.003 0.000 0.278 310 R C -0.067 176.177 176.300 -0.094 0.000 1.069 310 R CA 0.177 56.240 56.100 -0.062 0.000 1.080 310 R CB 1.676 31.904 30.300 -0.120 0.000 1.030 310 R HN 1.054 nan 8.270 nan 0.000 0.491 311 A N 1.883 124.604 122.820 -0.166 0.000 2.498 311 A HA 0.300 4.618 4.320 -0.003 0.000 0.298 311 A C -1.122 176.330 177.584 -0.220 0.000 1.075 311 A CA -0.767 51.180 52.037 -0.149 0.000 0.714 311 A CB 1.891 20.821 19.000 -0.117 0.000 1.299 311 A HN 0.450 nan 8.150 nan 0.000 0.407 312 Q N 0.658 120.318 119.800 -0.232 0.000 2.295 312 Q HA 0.552 4.890 4.340 -0.003 0.000 0.259 312 Q C -0.158 175.535 176.000 -0.512 0.000 0.976 312 Q CA 0.252 55.837 55.803 -0.363 0.000 0.923 312 Q CB 1.273 29.814 28.738 -0.329 0.000 1.185 312 Q HN 0.878 nan 8.270 nan 0.000 0.410 313 A N 3.854 126.326 122.820 -0.581 0.000 2.354 313 A HA 0.786 5.104 4.320 -0.003 0.000 0.321 313 A C -1.530 175.613 177.584 -0.736 0.000 1.125 313 A CA -0.482 51.228 52.037 -0.545 0.000 0.799 313 A CB 1.027 19.842 19.000 -0.308 0.000 1.293 313 A HN 0.622 nan 8.150 nan 0.000 0.452 314 Y N -0.160 120.068 120.300 -0.121 0.000 2.462 314 Y HA 0.559 5.107 4.550 -0.003 0.000 0.346 314 Y C 0.431 176.346 175.900 0.024 0.000 0.976 314 Y CA -0.579 57.509 58.100 -0.020 0.000 1.044 314 Y CB 1.969 40.473 38.460 0.074 0.000 1.230 314 Y HN 0.678 nan 8.280 nan 0.000 0.455 315 R N 2.987 123.589 120.500 0.170 0.000 2.207 315 R HA 0.488 4.827 4.340 -0.003 0.000 0.334 315 R C -1.081 175.302 176.300 0.139 0.000 1.013 315 R CA -0.463 55.697 56.100 0.100 0.000 0.858 315 R CB 0.537 30.872 30.300 0.058 0.000 1.094 315 R HN 0.624 nan 8.270 nan 0.000 0.457 316 L N 2.335 123.626 121.223 0.112 0.000 2.395 316 L HA 0.194 4.533 4.340 -0.003 0.000 0.269 316 L C 0.754 177.787 176.870 0.272 0.000 1.133 316 L CA -0.365 54.596 54.840 0.202 0.000 0.812 316 L CB 1.287 43.441 42.059 0.159 0.000 1.125 316 L HN 0.660 nan 8.230 nan 0.000 0.452 317 S N 2.364 118.289 115.700 0.375 0.000 2.549 317 S HA 0.276 4.744 4.470 -0.003 0.000 0.286 317 S C -0.073 174.762 174.600 0.393 0.000 1.314 317 S CA -0.730 57.678 58.200 0.347 0.000 1.062 317 S CB 0.116 63.525 63.200 0.348 0.000 0.865 317 S HN 0.370 nan 8.310 nan 0.000 0.498 318 I N 3.687 124.396 120.570 0.232 0.000 2.752 318 I HA 0.177 4.346 4.170 -0.003 0.000 0.287 318 I C -1.971 174.104 176.117 -0.070 0.000 1.188 318 I CA -1.723 59.645 61.300 0.114 0.000 1.427 318 I CB -0.016 38.033 38.000 0.082 0.000 1.365 318 I HN 0.466 nan 8.210 nan 0.000 0.585 319 P HA 0.196 nan 4.420 nan 0.000 0.278 319 P C -1.373 175.783 177.300 -0.241 0.000 1.238 319 P CA -0.559 62.187 63.100 -0.591 0.000 0.794 319 P CB 0.511 31.611 31.700 -1.001 0.000 0.955 320 K N 2.429 122.759 120.400 -0.116 0.000 2.299 320 K HA 0.338 4.656 4.320 -0.003 0.000 0.268 320 K C -0.677 175.881 176.600 -0.070 0.000 1.075 320 K CA -0.751 55.501 56.287 -0.058 0.000 0.936 320 K CB 0.429 32.925 32.500 -0.008 0.000 1.228 320 K HN 0.279 nan 8.250 nan 0.000 0.454 321 L N 4.237 125.414 121.223 -0.077 0.000 2.278 321 L HA 0.330 4.668 4.340 -0.003 0.000 0.287 321 L C -0.665 176.187 176.870 -0.030 0.000 1.072 321 L CA 0.256 55.056 54.840 -0.068 0.000 0.819 321 L CB 0.551 42.581 42.059 -0.047 0.000 1.176 321 L HN 0.591 nan 8.230 nan 0.000 0.435 322 M N 3.166 122.739 119.600 -0.045 0.000 2.508 322 M HA 0.580 5.058 4.480 -0.003 0.000 0.327 322 M C 0.524 176.846 176.300 0.037 0.000 1.160 322 M CA -0.323 54.978 55.300 0.001 0.000 0.980 322 M CB 1.996 34.610 32.600 0.023 0.000 1.693 322 M HN 0.701 nan 8.290 nan 0.000 0.452 323 G N 0.454 109.307 108.800 0.088 0.000 3.407 323 G HA2 0.287 4.245 3.960 -0.003 0.000 0.187 323 G HA3 0.287 4.245 3.960 -0.003 0.000 0.187 323 G C 0.552 175.545 174.900 0.155 0.000 1.262 323 G CA -0.184 44.997 45.100 0.134 0.000 0.808 323 G HN 0.719 nan 8.290 nan 0.000 0.687 324 R N -0.106 120.429 120.500 0.058 0.000 2.075 324 R HA 0.107 4.445 4.340 -0.003 0.000 0.232 324 R C 0.509 176.831 176.300 0.036 0.000 1.126 324 R CA 0.868 56.983 56.100 0.025 0.000 0.963 324 R CB -0.004 30.272 30.300 -0.041 0.000 0.858 324 R HN 0.342 nan 8.270 nan 0.000 0.435 325 R N -0.931 119.583 120.500 0.023 0.000 2.867 325 R HA 0.447 4.785 4.340 -0.003 0.000 0.268 325 R C -0.956 175.358 176.300 0.024 0.000 1.014 325 R CA -0.611 55.502 56.100 0.022 0.000 0.946 325 R CB 1.443 31.745 30.300 0.003 0.000 1.208 325 R HN 0.119 nan 8.270 nan 0.000 0.477 326 A N 1.013 123.847 122.820 0.023 0.000 2.613 326 A HA 0.240 4.558 4.320 -0.003 0.000 0.230 326 A C 0.071 177.663 177.584 0.013 0.000 1.051 326 A CA 0.273 52.321 52.037 0.018 0.000 0.754 326 A CB 0.286 19.296 19.000 0.016 0.000 0.979 326 A HN 0.457 nan 8.150 nan 0.000 0.510 327 V N 0.893 120.815 119.914 0.014 0.000 3.226 327 V HA 0.594 4.713 4.120 -0.003 0.000 0.304 327 V C 0.866 176.980 176.094 0.034 0.000 1.336 327 V CA 0.397 62.706 62.300 0.015 0.000 1.066 327 V CB 1.950 33.777 31.823 0.006 0.000 1.087 327 V HN 1.633 nan 8.190 nan 0.000 0.451 328 S N 1.946 117.672 115.700 0.043 0.000 2.431 328 S HA 0.308 4.776 4.470 -0.003 0.000 0.210 328 S C 0.507 175.198 174.600 0.152 0.000 1.013 328 S CA 0.492 58.746 58.200 0.089 0.000 0.920 328 S CB -0.201 63.036 63.200 0.063 0.000 0.882 328 S HN 0.916 nan 8.310 nan 0.000 0.567 329 K N 1.160 121.569 120.400 0.016 0.000 2.185 329 K HA 0.570 4.888 4.320 -0.003 0.000 0.240 329 K C -2.717 173.825 176.600 -0.096 0.000 0.983 329 K CA -2.182 54.040 56.287 -0.108 0.000 0.873 329 K CB 1.002 33.336 32.500 -0.276 0.000 1.118 329 K HN -0.136 nan 8.250 nan 0.000 0.441 330 P HA -0.186 nan 4.420 nan 0.000 0.217 330 P C 1.111 178.298 177.300 -0.187 0.000 1.150 330 P CA 1.737 64.774 63.100 -0.105 0.000 0.832 330 P CB -0.044 31.597 31.700 -0.099 0.000 0.787 331 A N -0.011 122.566 122.820 -0.405 0.000 2.084 331 A HA -0.248 4.070 4.320 -0.003 0.000 0.221 331 A C 1.753 179.178 177.584 -0.264 0.000 1.161 331 A CA 2.104 53.833 52.037 -0.512 0.000 0.653 331 A CB -1.356 16.894 19.000 -1.251 0.000 0.802 331 A HN 0.136 nan 8.150 nan 0.000 0.457 332 D N 0.174 120.467 120.400 -0.180 0.000 2.144 332 D HA 0.004 4.642 4.640 -0.003 0.000 0.200 332 D C 2.141 178.388 176.300 -0.089 0.000 0.978 332 D CA 1.295 55.235 54.000 -0.099 0.000 0.833 332 D CB -0.549 40.215 40.800 -0.061 0.000 0.961 332 D HN 0.446 nan 8.370 nan 0.000 0.470 333 A N 0.853 123.629 122.820 -0.073 0.000 2.032 333 A HA -0.148 4.170 4.320 -0.003 0.000 0.221 333 A C 2.119 179.562 177.584 -0.236 0.000 1.165 333 A CA 0.790 52.773 52.037 -0.090 0.000 0.645 333 A CB -0.874 18.163 19.000 0.062 0.000 0.807 333 A HN 0.266 nan 8.150 nan 0.000 0.453 334 L N -1.975 119.171 121.223 -0.127 0.000 2.633 334 L HA -0.067 4.272 4.340 -0.003 0.000 0.235 334 L C 2.368 179.152 176.870 -0.143 0.000 1.163 334 L CA 0.788 55.554 54.840 -0.123 0.000 0.859 334 L CB -0.231 41.840 42.059 0.019 0.000 0.973 334 L HN 0.407 nan 8.230 nan 0.000 0.451 335 R N -2.718 117.690 120.500 -0.153 0.000 2.646 335 R HA 0.110 4.448 4.340 -0.003 0.000 0.226 335 R C 1.523 177.748 176.300 -0.125 0.000 0.928 335 R CA 0.036 56.074 56.100 -0.105 0.000 1.010 335 R CB 0.646 30.921 30.300 -0.043 0.000 1.516 335 R HN 0.016 nan 8.270 nan 0.000 0.621 336 V N 0.704 120.533 119.914 -0.142 0.000 3.608 336 V HA 0.253 4.371 4.120 -0.003 0.000 0.269 336 V C 0.682 176.676 176.094 -0.167 0.000 1.245 336 V CA 0.833 63.064 62.300 -0.116 0.000 1.138 336 V CB 0.233 32.012 31.823 -0.073 0.000 0.841 336 V HN 0.588 nan 8.190 nan 0.000 0.451 337 G N -0.028 108.582 108.800 -0.316 0.000 2.692 337 G HA2 -0.155 3.804 3.960 -0.003 0.000 0.686 337 G HA3 -0.155 3.804 3.960 -0.003 0.000 0.686 337 G C -0.604 174.065 174.900 -0.386 0.000 1.243 337 G CA -0.781 44.059 45.100 -0.432 0.000 0.782 337 G HN 0.153 nan 8.290 nan 0.000 0.625 338 F N -0.064 119.824 119.950 -0.104 0.000 2.368 338 F HA 0.521 5.046 4.527 -0.003 0.000 0.315 338 F C 1.614 177.416 175.800 0.003 0.000 1.145 338 F CA -0.183 57.774 58.000 -0.072 0.000 1.095 338 F CB 0.617 39.526 39.000 -0.152 0.000 1.286 338 F HN 0.621 nan 8.300 nan 0.000 0.530 339 Y N 0.953 121.339 120.300 0.143 0.000 2.092 339 Y HA 0.069 4.617 4.550 -0.003 0.000 0.282 339 Y C 0.945 176.869 175.900 0.039 0.000 1.126 339 Y CA 1.427 59.560 58.100 0.055 0.000 1.111 339 Y CB 0.058 38.537 38.460 0.031 0.000 0.987 339 Y HN 0.283 nan 8.280 nan 0.000 0.489 340 R N 0.672 121.139 120.500 -0.055 0.000 2.343 340 R HA 0.659 4.997 4.340 -0.003 0.000 0.320 340 R C -1.186 175.096 176.300 -0.031 0.000 0.956 340 R CA -0.102 55.903 56.100 -0.159 0.000 0.836 340 R CB 1.250 31.489 30.300 -0.101 0.000 1.151 340 R HN 0.364 nan 8.270 nan 0.000 0.450 341 A N 2.230 125.033 122.820 -0.029 0.000 2.530 341 A HA 0.878 5.197 4.320 -0.003 0.000 0.288 341 A C -1.290 176.321 177.584 0.046 0.000 1.172 341 A CA -0.480 51.571 52.037 0.022 0.000 0.733 341 A CB 2.048 21.077 19.000 0.048 0.000 1.320 341 A HN 0.587 nan 8.150 nan 0.000 0.419 342 Q N -0.589 119.277 119.800 0.111 0.000 3.044 342 Q HA 0.228 4.566 4.340 -0.003 0.000 0.299 342 Q C -1.310 174.815 176.000 0.208 0.000 0.896 342 Q CA -0.333 55.547 55.803 0.127 0.000 0.802 342 Q CB 0.465 29.244 28.738 0.069 0.000 1.649 342 Q HN 1.029 nan 8.270 nan 0.000 0.483 343 E N 0.990 121.275 120.200 0.141 0.000 2.694 343 E HA 0.070 4.418 4.350 -0.003 0.000 0.250 343 E C -1.131 175.521 176.600 0.087 0.000 0.963 343 E CA 0.952 57.410 56.400 0.097 0.000 0.949 343 E CB 0.486 30.206 29.700 0.033 0.000 0.911 343 E HN 0.430 nan 8.360 nan 0.000 0.500 344 T N 3.130 117.723 114.554 0.065 0.000 2.924 344 T HA 0.682 5.030 4.350 -0.003 0.000 0.291 344 T C -1.012 173.628 174.700 -0.101 0.000 1.045 344 T CA -0.338 61.785 62.100 0.039 0.000 1.015 344 T CB 1.767 70.742 68.868 0.178 0.000 1.103 344 T HN 0.574 nan 8.240 nan 0.000 0.496 345 A N 2.584 125.348 122.820 -0.094 0.000 2.409 345 A HA 0.703 5.021 4.320 -0.003 0.000 0.300 345 A C -1.009 176.498 177.584 -0.127 0.000 1.273 345 A CA -0.568 51.371 52.037 -0.163 0.000 0.774 345 A CB -0.059 18.811 19.000 -0.217 0.000 1.144 345 A HN 0.664 nan 8.150 nan 0.000 0.472 346 L N 2.173 123.350 121.223 -0.078 0.000 2.282 346 L HA 0.710 5.049 4.340 -0.003 0.000 0.288 346 L C 0.675 177.637 176.870 0.154 0.000 1.033 346 L CA -0.003 54.867 54.840 0.049 0.000 0.807 346 L CB 1.700 43.834 42.059 0.125 0.000 1.209 346 L HN 0.709 nan 8.230 nan 0.000 0.423 347 A N 4.037 126.924 122.820 0.112 0.000 2.294 347 A HA 0.821 5.139 4.320 -0.003 0.000 0.330 347 A C -0.917 176.704 177.584 0.062 0.000 1.133 347 A CA -0.536 51.583 52.037 0.137 0.000 0.836 347 A CB 1.170 20.193 19.000 0.039 0.000 1.190 347 A HN 0.710 nan 8.150 nan 0.000 0.492 348 L N 1.573 122.742 121.223 -0.090 0.000 2.362 348 L HA 0.708 5.046 4.340 -0.003 0.000 0.275 348 L C -1.610 175.106 176.870 -0.258 0.000 0.998 348 L CA -0.896 53.688 54.840 -0.426 0.000 0.820 348 L CB 1.622 42.918 42.059 -1.272 0.000 1.270 348 L HN 0.687 nan 8.230 nan 0.000 0.415 349 L N 5.532 126.636 121.223 -0.198 0.000 2.349 349 L HA 0.553 4.891 4.340 -0.003 0.000 0.278 349 L C -0.771 176.007 176.870 -0.154 0.000 0.996 349 L CA -0.132 54.644 54.840 -0.107 0.000 0.825 349 L CB 1.446 43.501 42.059 -0.007 0.000 1.243 349 L HN 0.643 nan 8.230 nan 0.000 0.412 350 R N 5.108 125.517 120.500 -0.151 0.000 2.338 350 R HA 0.561 4.899 4.340 -0.003 0.000 0.317 350 R C -0.754 175.466 176.300 -0.133 0.000 0.968 350 R CA -0.513 55.503 56.100 -0.140 0.000 0.849 350 R CB 0.857 31.077 30.300 -0.132 0.000 1.128 350 R HN 0.827 nan 8.270 nan 0.000 0.448 351 L N 4.644 125.796 121.223 -0.117 0.000 3.218 351 L HA 0.245 4.583 4.340 -0.003 0.000 0.279 351 L C -0.033 176.839 176.870 0.003 0.000 1.287 351 L CA -0.327 54.444 54.840 -0.115 0.000 1.024 351 L CB -0.116 41.840 42.059 -0.172 0.000 1.409 351 L HN 0.695 nan 8.230 nan 0.000 0.580 352 D N -0.863 119.541 120.400 0.007 0.000 3.222 352 D HA 0.166 4.804 4.640 -0.003 0.000 0.190 352 D C 1.233 177.549 176.300 0.028 0.000 1.235 352 D CA 0.329 54.342 54.000 0.021 0.000 1.213 352 D CB 0.393 41.198 40.800 0.008 0.000 1.103 352 D HN -0.103 nan 8.370 nan 0.000 0.468 353 G N -0.284 108.526 108.800 0.016 0.000 2.595 353 G HA2 0.428 4.387 3.960 -0.003 0.000 0.213 353 G HA3 0.428 4.387 3.960 -0.003 0.000 0.213 353 G C 0.635 175.541 174.900 0.011 0.000 1.141 353 G CA 0.926 46.035 45.100 0.015 0.000 0.806 353 G HN 0.663 nan 8.290 nan 0.000 0.530 354 A N -1.683 121.139 122.820 0.003 0.000 3.837 354 A HA 0.783 5.101 4.320 -0.003 0.000 0.159 354 A C 1.259 178.836 177.584 -0.011 0.000 1.157 354 A CA 1.064 53.101 52.037 -0.000 0.000 0.890 354 A CB -0.101 18.900 19.000 0.002 0.000 1.553 354 A HN 0.482 nan 8.150 nan 0.000 0.642 355 Q N -1.901 117.891 119.800 -0.014 0.000 2.404 355 Q HA 0.483 4.821 4.340 -0.003 0.000 0.262 355 Q C 0.990 176.964 176.000 -0.044 0.000 0.846 355 Q CA 1.080 56.870 55.803 -0.022 0.000 0.978 355 Q CB -0.187 28.550 28.738 -0.001 0.000 1.156 355 Q HN 1.631 nan 8.270 nan 0.000 0.548 356 G N -1.350 107.433 108.800 -0.028 0.000 2.828 356 G HA2 0.503 4.461 3.960 -0.003 0.000 0.244 356 G HA3 0.503 4.461 3.960 -0.003 0.000 0.244 356 G C -1.194 173.669 174.900 -0.062 0.000 1.365 356 G CA -0.874 44.221 45.100 -0.008 0.000 1.041 356 G HN 0.328 nan 8.290 nan 0.000 0.560 357 W N 0.726 121.975 121.300 -0.084 0.000 2.335 357 W HA 0.469 5.128 4.660 -0.002 0.000 0.306 357 W C -1.970 174.420 176.519 -0.215 0.000 1.216 357 W CA -1.546 55.713 57.345 -0.143 0.000 1.237 357 W CB 0.659 30.038 29.460 -0.136 0.000 1.243 357 W HN 0.175 nan 8.180 nan 0.000 0.493 358 P HA 0.020 nan 4.420 nan 0.000 0.260 358 P C 1.092 178.137 177.300 -0.425 0.000 1.185 358 P CA 0.914 63.816 63.100 -0.330 0.000 0.763 358 P CB 0.520 31.799 31.700 -0.702 0.000 0.776 359 E N 4.219 124.338 120.200 -0.135 0.000 2.119 359 E HA -0.320 4.028 4.350 -0.003 0.000 0.221 359 E C 1.480 178.011 176.600 -0.116 0.000 1.062 359 E CA 2.724 59.095 56.400 -0.048 0.000 0.894 359 E CB -2.064 27.686 29.700 0.083 0.000 0.785 359 E HN 0.650 nan 8.360 nan 0.000 0.472 360 F N 0.451 120.314 119.950 -0.145 0.000 2.091 360 F HA -0.076 4.450 4.527 -0.003 0.000 0.299 360 F C 2.279 177.896 175.800 -0.305 0.000 1.103 360 F CA 1.478 59.327 58.000 -0.252 0.000 1.228 360 F CB -1.263 37.490 39.000 -0.412 0.000 0.984 360 F HN 0.173 nan 8.300 nan 0.000 0.477 361 L N 0.383 121.086 121.223 -0.866 0.000 2.079 361 L HA -0.140 4.198 4.340 -0.003 0.000 0.210 361 L C 2.797 179.557 176.870 -0.184 0.000 1.081 361 L CA 1.559 56.121 54.840 -0.464 0.000 0.752 361 L CB -1.258 40.549 42.059 -0.419 0.000 0.896 361 L HN 0.303 nan 8.230 nan 0.000 0.433 362 R N -0.491 119.879 120.500 -0.217 0.000 2.075 362 R HA -0.164 4.174 4.340 -0.003 0.000 0.232 362 R C 2.494 178.686 176.300 -0.180 0.000 1.126 362 R CA 1.581 57.512 56.100 -0.282 0.000 0.963 362 R CB -0.006 30.134 30.300 -0.267 0.000 0.858 362 R HN 0.319 nan 8.270 nan 0.000 0.435 363 R N 0.394 120.833 120.500 -0.101 0.000 2.090 363 R HA 0.071 4.409 4.340 -0.003 0.000 0.228 363 R C 2.245 178.560 176.300 0.025 0.000 1.110 363 R CA 1.434 57.516 56.100 -0.031 0.000 0.973 363 R CB -1.308 28.996 30.300 0.007 0.000 0.869 363 R HN 0.507 nan 8.270 nan 0.000 0.440 364 A N 1.217 124.069 122.820 0.054 0.000 1.865 364 A HA -0.038 4.281 4.320 -0.003 0.000 0.217 364 A C 2.504 180.193 177.584 0.175 0.000 1.191 364 A CA 1.589 53.734 52.037 0.180 0.000 0.623 364 A CB -0.450 18.733 19.000 0.305 0.000 0.826 364 A HN 0.459 nan 8.150 nan 0.000 0.444 365 L N -1.221 120.087 121.223 0.143 0.000 1.994 365 L HA -0.181 4.157 4.340 -0.003 0.000 0.208 365 L C 2.490 179.484 176.870 0.207 0.000 1.071 365 L CA 0.831 55.800 54.840 0.215 0.000 0.745 365 L CB -0.671 41.437 42.059 0.080 0.000 0.892 365 L HN 0.271 nan 8.230 nan 0.000 0.431 366 L N 0.401 121.649 121.223 0.042 0.000 2.021 366 L HA -0.296 4.043 4.340 -0.003 0.000 0.215 366 L C 3.234 180.151 176.870 0.077 0.000 1.074 366 L CA 2.604 57.457 54.840 0.021 0.000 0.760 366 L CB -1.309 40.722 42.059 -0.047 0.000 0.889 366 L HN 0.270 nan 8.230 nan 0.000 0.433 367 R N -0.773 119.766 120.500 0.064 0.000 2.075 367 R HA 0.054 4.393 4.340 -0.003 0.000 0.232 367 R C 2.317 178.622 176.300 0.009 0.000 1.126 367 R CA 1.616 57.739 56.100 0.038 0.000 0.963 367 R CB -1.715 28.609 30.300 0.040 0.000 0.858 367 R HN 0.500 nan 8.270 nan 0.000 0.435 368 A N 0.072 122.908 122.820 0.028 0.000 1.883 368 A HA 0.013 4.331 4.320 -0.003 0.000 0.217 368 A C 2.302 179.744 177.584 -0.236 0.000 1.186 368 A CA 1.548 53.487 52.037 -0.162 0.000 0.624 368 A CB -0.574 18.413 19.000 -0.021 0.000 0.822 368 A HN 0.527 nan 8.150 nan 0.000 0.444 369 F N 0.149 120.075 119.950 -0.040 0.000 2.163 369 F HA 0.050 4.576 4.527 -0.003 0.000 0.297 369 F C 2.671 178.451 175.800 -0.033 0.000 1.094 369 F CA 1.102 59.113 58.000 0.019 0.000 1.290 369 F CB -0.777 38.262 39.000 0.065 0.000 1.017 369 F HN 0.284 nan 8.300 nan 0.000 0.483 370 G N -0.471 108.412 108.800 0.140 0.000 2.442 370 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.219 370 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.219 370 G C 1.829 176.726 174.900 -0.005 0.000 1.141 370 G CA 0.843 45.977 45.100 0.056 0.000 0.763 370 G HN 0.449 nan 8.290 nan 0.000 0.554 371 A N -0.239 122.542 122.820 -0.065 0.000 2.014 371 A HA 0.553 4.871 4.320 -0.003 0.000 0.218 371 A C 1.798 179.292 177.584 -0.149 0.000 1.163 371 A CA 1.634 53.599 52.037 -0.119 0.000 0.652 371 A CB -0.454 18.440 19.000 -0.177 0.000 0.808 371 A HN 0.756 nan 8.150 nan 0.000 0.449 372 S N -1.560 114.032 115.700 -0.179 0.000 2.690 372 S HA 0.541 5.009 4.470 -0.003 0.000 0.291 372 S C 1.418 175.998 174.600 -0.034 0.000 1.138 372 S CA -0.120 57.992 58.200 -0.146 0.000 1.013 372 S CB 0.297 63.365 63.200 -0.221 0.000 1.053 372 S HN 0.943 nan 8.310 nan 0.000 0.539 373 G N 0.931 109.720 108.800 -0.017 0.000 2.900 373 G HA2 0.033 3.991 3.960 -0.003 0.000 0.250 373 G HA3 0.033 3.991 3.960 -0.003 0.000 0.250 373 G C 0.978 175.906 174.900 0.046 0.000 1.141 373 G CA 2.325 47.429 45.100 0.008 0.000 0.756 373 G HN 1.657 nan 8.290 nan 0.000 0.767 374 A N -1.841 121.037 122.820 0.098 0.000 2.517 374 A HA 0.761 5.079 4.320 -0.003 0.000 0.280 374 A C 0.352 178.075 177.584 0.232 0.000 1.353 374 A CA 0.707 52.823 52.037 0.133 0.000 0.907 374 A CB 1.010 20.084 19.000 0.124 0.000 1.495 374 A HN 0.973 nan 8.150 nan 0.000 0.506 375 S N -1.931 113.878 115.700 0.180 0.000 2.677 375 S HA 0.719 5.187 4.470 -0.003 0.000 0.304 375 S C -0.437 174.143 174.600 -0.034 0.000 1.108 375 S CA -0.504 57.779 58.200 0.138 0.000 0.944 375 S CB 0.792 64.015 63.200 0.039 0.000 1.127 375 S HN 1.026 nan 8.310 nan 0.000 0.511 376 L N 0.507 121.530 121.223 -0.333 0.000 2.347 376 L HA 0.834 5.172 4.340 -0.003 0.000 0.268 376 L C -0.740 175.950 176.870 -0.301 0.000 1.019 376 L CA -1.220 53.298 54.840 -0.536 0.000 0.806 376 L CB 1.119 42.453 42.059 -1.208 0.000 1.339 376 L HN 0.568 nan 8.230 nan 0.000 0.463 377 R N 0.638 120.983 120.500 -0.258 0.000 2.686 377 R HA 0.722 5.061 4.340 -0.003 0.000 0.283 377 R C -1.677 174.556 176.300 -0.112 0.000 0.978 377 R CA -0.655 55.370 56.100 -0.123 0.000 0.897 377 R CB 2.303 32.590 30.300 -0.023 0.000 1.192 377 R HN 0.531 nan 8.270 nan 0.000 0.457 378 L N 3.156 124.353 121.223 -0.043 0.000 2.377 378 L HA 0.439 4.778 4.340 -0.003 0.000 0.270 378 L C -0.131 176.937 176.870 0.331 0.000 0.991 378 L CA -0.461 54.390 54.840 0.017 0.000 0.851 378 L CB 1.265 43.056 42.059 -0.446 0.000 1.218 378 L HN 0.535 nan 8.230 nan 0.000 0.420 379 H N 0.814 120.001 119.070 0.194 0.000 2.500 379 H HA 0.638 5.192 4.556 -0.003 0.000 0.351 379 H C -0.580 174.901 175.328 0.254 0.000 1.281 379 H CA -0.873 55.281 56.048 0.177 0.000 1.368 379 H CB 1.747 31.561 29.762 0.086 0.000 1.616 379 H HN 0.419 nan 8.280 nan 0.000 0.591 380 T N 1.343 116.055 114.554 0.263 0.000 2.907 380 T HA 0.306 4.654 4.350 -0.003 0.000 0.292 380 T C -0.292 174.443 174.700 0.058 0.000 1.043 380 T CA -0.865 61.291 62.100 0.092 0.000 1.003 380 T CB 1.445 70.342 68.868 0.047 0.000 1.084 380 T HN 0.243 nan 8.240 nan 0.000 0.483 381 L N 2.607 123.834 121.223 0.007 0.000 2.257 381 L HA 0.423 4.761 4.340 -0.003 0.000 0.290 381 L C 1.987 178.886 176.870 0.048 0.000 1.044 381 L CA -0.377 54.480 54.840 0.028 0.000 0.810 381 L CB 0.473 42.558 42.059 0.043 0.000 1.193 381 L HN 1.173 nan 8.230 nan 0.000 0.425 382 H N 3.105 122.203 119.070 0.048 0.000 2.357 382 H HA 0.288 4.842 4.556 -0.003 0.000 0.301 382 H C 1.086 176.479 175.328 0.109 0.000 1.082 382 H CA 0.979 57.062 56.048 0.058 0.000 1.342 382 H CB 0.052 29.836 29.762 0.038 0.000 1.389 382 H HN 0.727 nan 8.280 nan 0.000 0.511 383 A N 0.597 123.516 122.820 0.165 0.000 2.340 383 A HA 0.502 4.820 4.320 -0.003 0.000 0.268 383 A C 0.083 177.924 177.584 0.429 0.000 1.100 383 A CA -0.319 51.896 52.037 0.297 0.000 0.803 383 A CB 0.162 19.367 19.000 0.342 0.000 1.043 383 A HN 0.794 nan 8.150 nan 0.000 0.488 384 H N 2.414 121.576 119.070 0.153 0.000 2.508 384 H HA 0.347 4.901 4.556 -0.003 0.000 0.344 384 H C -1.766 173.283 175.328 -0.466 0.000 1.192 384 H CA -1.756 54.231 56.048 -0.102 0.000 1.290 384 H CB 1.949 31.660 29.762 -0.085 0.000 1.571 384 H HN 0.355 nan 8.280 nan 0.000 0.555 385 P HA -0.156 nan 4.420 nan 0.000 0.218 385 P C 1.315 178.493 177.300 -0.204 0.000 1.149 385 P CA 1.666 64.243 63.100 -0.872 0.000 0.817 385 P CB 0.152 31.435 31.700 -0.696 0.000 0.785 386 S N -0.536 115.208 115.700 0.072 0.000 2.419 386 S HA -0.189 4.279 4.470 -0.003 0.000 0.233 386 S C 2.343 176.940 174.600 -0.005 0.000 1.016 386 S CA 1.486 59.678 58.200 -0.013 0.000 0.974 386 S CB -1.876 61.264 63.200 -0.099 0.000 0.786 386 S HN 0.280 nan 8.310 nan 0.000 0.492 387 Q N 1.505 121.326 119.800 0.034 0.000 2.591 387 Q HA 0.374 4.713 4.340 -0.003 0.000 0.219 387 Q C 1.767 177.819 176.000 0.086 0.000 0.981 387 Q CA 1.407 57.249 55.803 0.065 0.000 0.945 387 Q CB -2.009 26.799 28.738 0.116 0.000 0.985 387 Q HN 1.235 nan 8.270 nan 0.000 0.542 388 G N -1.007 107.838 108.800 0.075 0.000 2.690 388 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.334 388 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.334 388 G C 1.647 176.627 174.900 0.134 0.000 1.250 388 G CA 2.213 47.365 45.100 0.086 0.000 0.994 388 G HN 1.686 nan 8.290 nan 0.000 0.549 389 L N -0.607 120.669 121.223 0.088 0.000 2.127 389 L HA 0.398 4.737 4.340 -0.003 0.000 0.211 389 L C 3.596 180.515 176.870 0.082 0.000 1.089 389 L CA 3.606 58.491 54.840 0.075 0.000 0.757 389 L CB -2.047 40.039 42.059 0.045 0.000 0.899 389 L HN 2.197 nan 8.230 nan 0.000 0.434 390 A N -1.078 121.799 122.820 0.096 0.000 1.908 390 A HA -0.184 4.134 4.320 -0.003 0.000 0.218 390 A C 2.299 179.957 177.584 0.123 0.000 1.181 390 A CA 1.701 53.793 52.037 0.092 0.000 0.627 390 A CB -0.774 18.282 19.000 0.094 0.000 0.818 390 A HN 0.846 nan 8.150 nan 0.000 0.445 391 F N 0.682 120.643 119.950 0.018 0.000 2.046 391 F HA -0.182 4.343 4.527 -0.003 0.000 0.297 391 F C 2.416 178.221 175.800 0.007 0.000 1.123 391 F CA 2.054 60.063 58.000 0.015 0.000 1.199 391 F CB -0.442 38.569 39.000 0.018 0.000 0.972 391 F HN 0.122 nan 8.300 nan 0.000 0.474 392 R N 0.049 120.536 120.500 -0.021 0.000 2.159 392 R HA -0.168 4.170 4.340 -0.003 0.000 0.237 392 R C 2.359 178.584 176.300 -0.124 0.000 1.131 392 R CA 1.425 57.455 56.100 -0.118 0.000 0.982 392 R CB -0.877 29.427 30.300 0.006 0.000 0.868 392 R HN 0.567 nan 8.270 nan 0.000 0.453 393 E N 0.991 121.149 120.200 -0.069 0.000 2.031 393 E HA -0.122 4.226 4.350 -0.003 0.000 0.193 393 E C 1.986 178.537 176.600 -0.081 0.000 0.994 393 E CA 1.281 57.650 56.400 -0.052 0.000 0.800 393 E CB -0.684 29.006 29.700 -0.016 0.000 0.752 393 E HN 0.499 nan 8.360 nan 0.000 0.447 394 A N 0.226 122.981 122.820 -0.109 0.000 1.933 394 A HA 0.047 4.365 4.320 -0.003 0.000 0.218 394 A C 2.528 180.015 177.584 -0.162 0.000 1.175 394 A CA 1.461 53.430 52.037 -0.113 0.000 0.628 394 A CB -0.412 18.523 19.000 -0.108 0.000 0.814 394 A HN 0.459 nan 8.150 nan 0.000 0.444 395 L N -1.262 119.791 121.223 -0.283 0.000 1.976 395 L HA -0.176 4.163 4.340 -0.003 0.000 0.209 395 L C 2.805 179.587 176.870 -0.145 0.000 1.071 395 L CA 1.776 56.448 54.840 -0.280 0.000 0.746 395 L CB -0.477 41.343 42.059 -0.398 0.000 0.890 395 L HN 0.385 nan 8.230 nan 0.000 0.432 396 R N 0.436 120.867 120.500 -0.115 0.000 2.249 396 R HA -0.195 4.143 4.340 -0.003 0.000 0.230 396 R C 2.365 178.638 176.300 -0.046 0.000 1.121 396 R CA 1.628 57.688 56.100 -0.067 0.000 0.997 396 R CB -0.044 30.226 30.300 -0.051 0.000 0.867 396 R HN 0.333 nan 8.270 nan 0.000 0.465 397 K N -0.388 119.985 120.400 -0.046 0.000 2.099 397 K HA 0.148 4.466 4.320 -0.003 0.000 0.203 397 K C 1.893 178.492 176.600 -0.001 0.000 1.047 397 K CA 0.904 57.179 56.287 -0.019 0.000 0.963 397 K CB -0.714 31.777 32.500 -0.016 0.000 0.759 397 K HN 0.320 nan 8.250 nan 0.000 0.451 398 A N 1.157 123.972 122.820 -0.007 0.000 2.067 398 A HA 0.111 4.429 4.320 -0.003 0.000 0.219 398 A C 2.532 180.101 177.584 -0.025 0.000 1.158 398 A CA 2.226 54.275 52.037 0.020 0.000 0.661 398 A CB -0.702 18.307 19.000 0.014 0.000 0.801 398 A HN 0.638 nan 8.150 nan 0.000 0.452 399 K N -0.172 120.206 120.400 -0.037 0.000 2.217 399 K HA -0.008 4.311 4.320 -0.003 0.000 0.202 399 K C 1.771 178.357 176.600 -0.024 0.000 1.051 399 K CA 1.725 57.990 56.287 -0.037 0.000 0.952 399 K CB -0.403 32.074 32.500 -0.038 0.000 0.736 399 K HN 0.528 nan 8.250 nan 0.000 0.453 400 E N -0.014 120.178 120.200 -0.013 0.000 2.122 400 E HA 0.075 4.423 4.350 -0.003 0.000 0.190 400 E C 2.246 178.851 176.600 0.007 0.000 0.977 400 E CA 1.052 57.450 56.400 -0.003 0.000 0.820 400 E CB 0.268 29.969 29.700 0.000 0.000 0.770 400 E HN 0.665 nan 8.360 nan 0.000 0.462 401 E N -0.169 120.046 120.200 0.025 0.000 2.533 401 E HA 0.115 4.463 4.350 -0.003 0.000 0.201 401 E C 1.423 178.024 176.600 0.001 0.000 1.097 401 E CA 0.949 57.391 56.400 0.070 0.000 0.887 401 E CB -1.082 28.746 29.700 0.213 0.000 0.855 401 E HN 0.384 nan 8.360 nan 0.000 0.540 402 G N -1.189 107.588 108.800 -0.037 0.000 2.345 402 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.218 402 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.218 402 G C 0.892 175.733 174.900 -0.099 0.000 1.058 402 G CA -0.084 44.978 45.100 -0.064 0.000 0.632 402 G HN 1.052 nan 8.290 nan 0.000 0.508 403 V N 2.438 122.248 119.914 -0.173 0.000 2.699 403 V HA -0.057 4.061 4.120 -0.003 0.000 0.296 403 V C 1.538 177.591 176.094 -0.067 0.000 1.030 403 V CA 2.041 64.249 62.300 -0.154 0.000 1.219 403 V CB 0.585 32.315 31.823 -0.155 0.000 0.848 403 V HN 0.670 nan 8.190 nan 0.000 0.468 404 Q N 3.257 123.033 119.800 -0.040 0.000 2.356 404 Q HA 0.495 4.833 4.340 -0.003 0.000 0.205 404 Q C 0.524 176.533 176.000 0.015 0.000 0.901 404 Q CA 0.722 56.523 55.803 -0.003 0.000 0.938 404 Q CB 0.956 29.702 28.738 0.013 0.000 1.081 404 Q HN 0.924 nan 8.270 nan 0.000 0.517 405 A N 0.181 123.009 122.820 0.013 0.000 2.605 405 A HA 0.573 4.891 4.320 -0.003 0.000 0.294 405 A C -1.375 176.232 177.584 0.037 0.000 1.062 405 A CA -0.577 51.480 52.037 0.033 0.000 0.682 405 A CB 1.476 20.506 19.000 0.049 0.000 1.278 405 A HN -0.025 nan 8.150 nan 0.000 0.410 406 V N 1.464 121.401 119.914 0.038 0.000 2.555 406 V HA 0.640 4.759 4.120 -0.003 0.000 0.302 406 V C -0.811 175.302 176.094 0.031 0.000 1.038 406 V CA -0.596 61.722 62.300 0.030 0.000 0.887 406 V CB 1.535 33.371 31.823 0.021 0.000 0.991 406 V HN 0.902 nan 8.190 nan 0.000 0.434 407 L N 6.107 127.332 121.223 0.003 0.000 2.294 407 L HA 0.618 4.956 4.340 -0.003 0.000 0.283 407 L C -0.457 176.370 176.870 -0.073 0.000 1.015 407 L CA -0.054 54.782 54.840 -0.007 0.000 0.831 407 L CB 1.501 43.571 42.059 0.018 0.000 1.217 407 L HN 0.449 nan 8.230 nan 0.000 0.420 408 V N 6.961 126.856 119.914 -0.031 0.000 2.348 408 V HA 0.326 4.444 4.120 -0.003 0.000 0.270 408 V C 0.280 176.349 176.094 -0.042 0.000 1.037 408 V CA -0.440 61.832 62.300 -0.047 0.000 0.872 408 V CB 1.093 32.906 31.823 -0.017 0.000 1.002 408 V HN 0.598 nan 8.190 nan 0.000 0.464 409 L N 5.221 126.397 121.223 -0.078 0.000 2.255 409 L HA 0.640 4.978 4.340 -0.003 0.000 0.289 409 L C 0.190 177.036 176.870 -0.039 0.000 1.046 409 L CA 0.423 55.232 54.840 -0.052 0.000 0.816 409 L CB 1.421 43.427 42.059 -0.087 0.000 1.197 409 L HN 0.799 nan 8.230 nan 0.000 0.427 410 T N 4.107 118.656 114.554 -0.008 0.000 2.885 410 T HA 0.465 4.814 4.350 -0.003 0.000 0.322 410 T C -2.790 171.921 174.700 0.019 0.000 1.387 410 T CA -1.281 60.817 62.100 -0.004 0.000 1.041 410 T CB 2.143 71.002 68.868 -0.016 0.000 1.287 410 T HN 0.085 nan 8.240 nan 0.000 0.491 411 P HA 0.341 nan 4.420 nan 0.000 0.273 411 P C -2.600 174.721 177.300 0.035 0.000 1.250 411 P CA -1.003 62.116 63.100 0.031 0.000 0.793 411 P CB -0.344 31.372 31.700 0.028 0.000 1.011 412 P HA 0.054 nan 4.420 nan 0.000 0.266 412 P C -0.532 176.797 177.300 0.048 0.000 1.193 412 P CA 1.127 64.256 63.100 0.049 0.000 0.770 412 P CB 0.172 31.902 31.700 0.050 0.000 0.836 413 M N 1.595 121.231 119.600 0.059 0.000 2.535 413 M HA 0.555 5.033 4.480 -0.003 0.000 0.314 413 M C -0.031 176.321 176.300 0.087 0.000 1.153 413 M CA -1.005 54.329 55.300 0.057 0.000 0.924 413 M CB 2.207 34.836 32.600 0.049 0.000 1.710 413 M HN 0.212 nan 8.290 nan 0.000 0.451 414 A N 2.302 125.163 122.820 0.069 0.000 2.440 414 A HA 0.141 4.460 4.320 -0.003 0.000 0.251 414 A C 0.778 178.438 177.584 0.125 0.000 1.089 414 A CA -0.461 51.635 52.037 0.098 0.000 0.779 414 A CB -0.061 18.951 19.000 0.020 0.000 1.022 414 A HN 1.144 nan 8.150 nan 0.000 0.492 415 W N 2.043 123.349 121.300 0.010 0.000 2.480 415 W HA -0.102 4.557 4.660 -0.001 0.000 0.257 415 W C 1.034 177.559 176.519 0.009 0.000 1.235 415 W CA 1.304 58.656 57.345 0.011 0.000 1.218 415 W CB -1.380 28.087 29.460 0.013 0.000 1.131 415 W HN 0.830 nan 8.180 nan 0.000 0.606 416 E N 1.838 121.785 120.200 -0.423 0.000 2.051 416 E HA -0.224 4.124 4.350 -0.003 0.000 0.192 416 E C 1.775 178.252 176.600 -0.204 0.000 0.991 416 E CA 2.812 58.933 56.400 -0.466 0.000 0.799 416 E CB -1.370 28.113 29.700 -0.362 0.000 0.748 416 E HN 0.593 nan 8.360 nan 0.000 0.449 417 D N 0.319 120.659 120.400 -0.100 0.000 2.162 417 D HA -0.054 4.584 4.640 -0.003 0.000 0.205 417 D C 2.172 178.469 176.300 -0.006 0.000 0.964 417 D CA 1.099 55.071 54.000 -0.048 0.000 0.847 417 D CB -0.457 40.325 40.800 -0.031 0.000 0.988 417 D HN 0.266 nan 8.370 nan 0.000 0.480 418 R N 0.813 121.335 120.500 0.037 0.000 2.119 418 R HA -0.197 4.141 4.340 -0.003 0.000 0.246 418 R C 1.649 177.994 176.300 0.075 0.000 1.146 418 R CA 1.986 58.130 56.100 0.074 0.000 0.962 418 R CB -0.747 29.634 30.300 0.134 0.000 0.863 418 R HN 0.318 nan 8.270 nan 0.000 0.442 419 N N 0.182 118.929 118.700 0.077 0.000 2.135 419 N HA -0.134 4.605 4.740 -0.003 0.000 0.186 419 N C 2.146 177.676 175.510 0.033 0.000 1.027 419 N CA 2.247 55.342 53.050 0.075 0.000 0.849 419 N CB -0.669 37.862 38.487 0.074 0.000 1.002 419 N HN 0.375 nan 8.380 nan 0.000 0.425 420 R N 1.362 121.861 120.500 -0.001 0.000 2.115 420 R HA -0.123 4.215 4.340 -0.003 0.000 0.239 420 R C 2.285 178.590 176.300 0.009 0.000 1.133 420 R CA 1.879 57.974 56.100 -0.009 0.000 0.935 420 R CB -1.636 28.645 30.300 -0.030 0.000 0.853 420 R HN 0.276 nan 8.270 nan 0.000 0.433 421 L N 0.631 121.859 121.223 0.007 0.000 1.970 421 L HA -0.150 4.188 4.340 -0.003 0.000 0.212 421 L C 2.455 179.354 176.870 0.048 0.000 1.071 421 L CA 2.597 57.447 54.840 0.017 0.000 0.751 421 L CB -0.566 41.491 42.059 -0.004 0.000 0.889 421 L HN 0.480 nan 8.230 nan 0.000 0.432 422 K N -0.739 119.693 120.400 0.053 0.000 2.063 422 K HA -0.193 4.126 4.320 -0.003 0.000 0.208 422 K C 2.044 178.674 176.600 0.051 0.000 1.048 422 K CA 1.412 57.738 56.287 0.065 0.000 0.928 422 K CB -0.427 32.126 32.500 0.088 0.000 0.713 422 K HN 0.554 nan 8.250 nan 0.000 0.442 423 A N 1.530 124.376 122.820 0.043 0.000 1.851 423 A HA -0.201 4.117 4.320 -0.003 0.000 0.216 423 A C 2.093 179.689 177.584 0.021 0.000 1.195 423 A CA 1.403 53.455 52.037 0.025 0.000 0.622 423 A CB -0.774 18.239 19.000 0.022 0.000 0.831 423 A HN 0.251 nan 8.150 nan 0.000 0.444 424 L N 0.087 121.334 121.223 0.039 0.000 1.963 424 L HA -0.217 4.121 4.340 -0.003 0.000 0.220 424 L C 2.433 179.338 176.870 0.058 0.000 1.076 424 L CA 2.258 57.134 54.840 0.059 0.000 0.772 424 L CB -0.804 41.315 42.059 0.100 0.000 0.892 424 L HN 0.456 nan 8.230 nan 0.000 0.435 425 L N -1.397 119.874 121.223 0.080 0.000 2.043 425 L HA -0.262 4.077 4.340 -0.003 0.000 0.212 425 L C 2.533 179.406 176.870 0.006 0.000 1.075 425 L CA 1.262 56.136 54.840 0.056 0.000 0.752 425 L CB -0.878 41.227 42.059 0.076 0.000 0.891 425 L HN 0.362 nan 8.230 nan 0.000 0.432 426 L N 0.456 121.673 121.223 -0.009 0.000 2.027 426 L HA -0.177 4.161 4.340 -0.003 0.000 0.206 426 L C 3.155 179.982 176.870 -0.073 0.000 1.074 426 L CA 2.340 57.140 54.840 -0.067 0.000 0.745 426 L CB -0.815 41.177 42.059 -0.111 0.000 0.898 426 L HN 0.181 nan 8.230 nan 0.000 0.433 427 R N 0.039 120.513 120.500 -0.045 0.000 2.193 427 R HA -0.007 4.332 4.340 -0.003 0.000 0.229 427 R C 1.912 178.196 176.300 -0.027 0.000 1.110 427 R CA 1.567 57.646 56.100 -0.035 0.000 0.988 427 R CB -2.029 28.262 30.300 -0.015 0.000 0.871 427 R HN 0.649 nan 8.270 nan 0.000 0.458 428 E N -0.654 119.532 120.200 -0.024 0.000 2.489 428 E HA 0.368 4.716 4.350 -0.003 0.000 0.193 428 E C 1.523 178.104 176.600 -0.033 0.000 1.057 428 E CA 0.692 57.075 56.400 -0.028 0.000 0.866 428 E CB -0.655 29.024 29.700 -0.036 0.000 0.916 428 E HN 1.607 nan 8.360 nan 0.000 0.500 429 G N 0.005 108.784 108.800 -0.035 0.000 2.182 429 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.248 429 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.248 429 G C 0.156 175.043 174.900 -0.021 0.000 1.042 429 G CA 0.269 45.352 45.100 -0.029 0.000 0.775 429 G HN 0.596 nan 8.290 nan 0.000 0.501 430 L N 0.269 121.478 121.223 -0.022 0.000 2.442 430 L HA 0.348 4.686 4.340 -0.003 0.000 0.261 430 L C -2.206 174.673 176.870 0.014 0.000 1.000 430 L CA -2.095 52.741 54.840 -0.006 0.000 0.882 430 L CB 2.213 44.262 42.059 -0.016 0.000 1.207 430 L HN -0.104 nan 8.230 nan 0.000 0.443 431 P HA 0.117 nan 4.420 nan 0.000 0.270 431 P C -0.758 176.583 177.300 0.068 0.000 1.227 431 P CA -0.073 63.075 63.100 0.080 0.000 0.788 431 P CB 0.875 32.649 31.700 0.123 0.000 0.926 432 S N -0.178 115.570 115.700 0.081 0.000 2.536 432 S HA 0.611 5.079 4.470 -0.003 0.000 0.271 432 S C -1.377 173.260 174.600 0.062 0.000 1.134 432 S CA -0.788 57.450 58.200 0.064 0.000 0.897 432 S CB 1.771 65.007 63.200 0.060 0.000 1.094 432 S HN 0.334 nan 8.310 nan 0.000 0.473 433 Q N 1.642 121.474 119.800 0.054 0.000 2.337 433 Q HA 0.742 5.080 4.340 -0.003 0.000 0.266 433 Q C -1.516 174.517 176.000 0.054 0.000 1.023 433 Q CA -0.551 55.285 55.803 0.056 0.000 0.829 433 Q CB 1.209 29.984 28.738 0.062 0.000 1.306 433 Q HN 0.811 nan 8.270 nan 0.000 0.449 434 I N 3.112 123.718 120.570 0.060 0.000 2.607 434 I HA 0.566 4.734 4.170 -0.003 0.000 0.305 434 I C -1.013 175.148 176.117 0.072 0.000 0.995 434 I CA -1.313 60.020 61.300 0.055 0.000 1.148 434 I CB 1.714 39.747 38.000 0.055 0.000 1.323 434 I HN 0.546 nan 8.210 nan 0.000 0.461 435 L N 4.877 126.141 121.223 0.068 0.000 2.562 435 L HA 0.440 4.778 4.340 -0.003 0.000 0.266 435 L C -1.083 175.834 176.870 0.079 0.000 0.949 435 L CA -0.444 54.454 54.840 0.096 0.000 0.879 435 L CB 1.476 43.608 42.059 0.121 0.000 1.278 435 L HN 0.436 nan 8.230 nan 0.000 0.404 436 N N 3.477 122.229 118.700 0.086 0.000 2.483 436 N HA 0.047 4.785 4.740 -0.003 0.000 0.264 436 N C 1.193 176.749 175.510 0.076 0.000 1.197 436 N CA 0.121 53.214 53.050 0.072 0.000 0.927 436 N CB 1.904 40.434 38.487 0.071 0.000 1.065 436 N HN 0.607 nan 8.380 nan 0.000 0.461 437 V N 4.239 124.186 119.914 0.055 0.000 2.250 437 V HA -0.124 3.994 4.120 -0.003 0.000 0.250 437 V C -1.199 174.936 176.094 0.067 0.000 1.060 437 V CA 1.564 63.895 62.300 0.052 0.000 1.030 437 V CB -0.939 30.903 31.823 0.032 0.000 0.643 437 V HN 0.739 nan 8.190 nan 0.000 0.445 438 P HA 0.177 nan 4.420 nan 0.000 0.263 438 P C -0.968 176.384 177.300 0.088 0.000 1.345 438 P CA 0.529 63.668 63.100 0.065 0.000 1.119 438 P CB 0.362 32.093 31.700 0.052 0.000 1.363 439 L N 3.295 124.585 121.223 0.110 0.000 2.406 439 L HA 0.703 5.041 4.340 -0.003 0.000 0.272 439 L C -0.233 176.720 176.870 0.137 0.000 0.980 439 L CA -0.696 54.237 54.840 0.155 0.000 0.831 439 L CB 1.940 44.131 42.059 0.219 0.000 1.253 439 L HN 0.270 nan 8.230 nan 0.000 0.406 440 R N 2.584 123.131 120.500 0.078 0.000 2.514 440 R HA 0.530 4.868 4.340 -0.003 0.000 0.301 440 R C 0.408 176.608 176.300 -0.166 0.000 0.962 440 R CA -0.030 56.043 56.100 -0.046 0.000 0.882 440 R CB 0.504 30.793 30.300 -0.018 0.000 1.143 440 R HN 0.842 nan 8.270 nan 0.000 0.452 441 E N 1.133 120.957 120.200 -0.626 0.000 2.428 441 E HA -0.098 4.251 4.350 -0.003 0.000 0.199 441 E C -0.047 176.511 176.600 -0.071 0.000 1.172 441 E CA 0.618 56.563 56.400 -0.758 0.000 0.941 441 E CB 0.305 29.021 29.700 -1.640 0.000 1.001 441 E HN 0.709 nan 8.360 nan 0.000 0.501 442 E N 1.534 121.732 120.200 -0.003 0.000 2.140 442 E HA -0.060 4.288 4.350 -0.003 0.000 0.191 442 E C 0.381 177.050 176.600 0.115 0.000 0.973 442 E CA 0.456 56.885 56.400 0.048 0.000 0.829 442 E CB -0.057 29.653 29.700 0.016 0.000 0.781 442 E HN 0.510 nan 8.360 nan 0.000 0.466 443 E N 2.387 122.683 120.200 0.161 0.000 2.323 443 E HA 0.017 4.365 4.350 -0.003 0.000 0.313 443 E C 1.078 177.704 176.600 0.043 0.000 1.236 443 E CA -0.183 56.299 56.400 0.138 0.000 1.333 443 E CB 0.083 29.884 29.700 0.167 0.000 1.138 443 E HN 0.120 nan 8.360 nan 0.000 0.492 444 R N 0.873 121.335 120.500 -0.063 0.000 2.113 444 R HA -0.241 4.097 4.340 -0.003 0.000 0.231 444 R C 1.375 177.206 176.300 -0.783 0.000 1.129 444 R CA 1.986 57.768 56.100 -0.529 0.000 0.915 444 R CB -0.148 29.949 30.300 -0.338 0.000 0.837 444 R HN 0.493 nan 8.270 nan 0.000 0.430 445 H N -0.497 118.228 119.070 -0.575 0.000 2.394 445 H HA -0.156 4.398 4.556 -0.003 0.000 0.297 445 H C 2.189 177.386 175.328 -0.220 0.000 1.113 445 H CA 1.946 57.617 56.048 -0.627 0.000 1.277 445 H CB -0.197 29.040 29.762 -0.876 0.000 1.370 445 H HN 0.218 nan 8.280 nan 0.000 0.506 446 R N 0.598 121.059 120.500 -0.064 0.000 2.056 446 R HA -0.107 4.232 4.340 -0.003 0.000 0.227 446 R C 2.160 178.543 176.300 0.137 0.000 1.149 446 R CA 1.669 57.809 56.100 0.067 0.000 0.937 446 R CB -0.384 29.990 30.300 0.122 0.000 0.835 446 R HN 0.620 nan 8.270 nan 0.000 0.430 447 W N 0.799 122.209 121.300 0.184 0.000 2.425 447 W HA -0.088 4.570 4.660 -0.003 0.000 0.277 447 W C 1.242 177.883 176.519 0.204 0.000 1.231 447 W CA 0.596 58.064 57.345 0.205 0.000 1.248 447 W CB -0.687 28.942 29.460 0.283 0.000 1.117 447 W HN 0.216 nan 8.180 nan 0.000 0.568 448 E N 1.318 121.353 120.200 -0.276 0.000 2.077 448 E HA -0.218 4.130 4.350 -0.003 0.000 0.193 448 E C 2.117 178.750 176.600 0.055 0.000 0.989 448 E CA 1.732 58.000 56.400 -0.220 0.000 0.800 448 E CB -0.339 29.130 29.700 -0.384 0.000 0.746 448 E HN 0.049 nan 8.360 nan 0.000 0.452 449 N N -0.165 118.613 118.700 0.130 0.000 2.171 449 N HA -0.114 4.624 4.740 -0.003 0.000 0.184 449 N C 1.706 177.286 175.510 0.117 0.000 1.021 449 N CA 1.162 54.288 53.050 0.127 0.000 0.854 449 N CB -0.254 38.347 38.487 0.190 0.000 0.994 449 N HN 0.230 nan 8.380 nan 0.000 0.426 450 A N 1.223 124.142 122.820 0.166 0.000 1.917 450 A HA -0.141 4.178 4.320 -0.003 0.000 0.219 450 A C 2.236 179.921 177.584 0.168 0.000 1.182 450 A CA 1.175 53.314 52.037 0.171 0.000 0.633 450 A CB -0.710 18.427 19.000 0.228 0.000 0.819 450 A HN 0.159 nan 8.150 nan 0.000 0.448 451 L N -1.260 120.098 121.223 0.225 0.000 2.046 451 L HA -0.113 4.226 4.340 -0.003 0.000 0.208 451 L C 2.334 179.285 176.870 0.135 0.000 1.077 451 L CA 1.224 56.200 54.840 0.228 0.000 0.747 451 L CB -0.728 41.528 42.059 0.328 0.000 0.896 451 L HN 0.305 nan 8.230 nan 0.000 0.432 452 L N -0.607 120.664 121.223 0.081 0.000 2.131 452 L HA -0.100 4.238 4.340 -0.003 0.000 0.210 452 L C 2.372 179.214 176.870 -0.045 0.000 1.092 452 L CA 1.909 56.748 54.840 -0.003 0.000 0.759 452 L CB -1.519 40.507 42.059 -0.054 0.000 0.903 452 L HN 0.303 nan 8.230 nan 0.000 0.435 453 G N -1.205 107.588 108.800 -0.012 0.000 2.414 453 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.215 453 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.215 453 G C 1.704 176.586 174.900 -0.030 0.000 1.188 453 G CA 0.652 45.727 45.100 -0.041 0.000 0.783 453 G HN 0.322 nan 8.290 nan 0.000 0.537 454 L N 0.114 121.355 121.223 0.030 0.000 2.021 454 L HA -0.127 4.211 4.340 -0.003 0.000 0.215 454 L C 2.941 179.822 176.870 0.019 0.000 1.074 454 L CA 1.332 56.202 54.840 0.050 0.000 0.760 454 L CB -0.241 41.886 42.059 0.114 0.000 0.889 454 L HN 0.246 nan 8.230 nan 0.000 0.433 455 L N -1.050 120.167 121.223 -0.009 0.000 2.201 455 L HA -0.151 4.187 4.340 -0.003 0.000 0.212 455 L C 2.701 179.488 176.870 -0.139 0.000 1.105 455 L CA 0.888 55.673 54.840 -0.091 0.000 0.775 455 L CB -0.718 41.196 42.059 -0.242 0.000 0.913 455 L HN 0.265 nan 8.230 nan 0.000 0.440 456 A N 0.435 123.171 122.820 -0.140 0.000 1.968 456 A HA -0.128 4.190 4.320 -0.003 0.000 0.217 456 A C 2.314 179.828 177.584 -0.117 0.000 1.169 456 A CA 1.158 53.100 52.037 -0.159 0.000 0.638 456 A CB -0.147 18.723 19.000 -0.216 0.000 0.812 456 A HN 0.348 nan 8.150 nan 0.000 0.446 457 K N -0.178 120.170 120.400 -0.086 0.000 2.186 457 K HA 0.177 4.495 4.320 -0.003 0.000 0.202 457 K C 2.201 178.814 176.600 0.022 0.000 1.052 457 K CA 0.786 57.055 56.287 -0.031 0.000 0.965 457 K CB -0.232 32.262 32.500 -0.010 0.000 0.746 457 K HN 0.352 nan 8.250 nan 0.000 0.457 458 A N 1.249 124.076 122.820 0.011 0.000 1.978 458 A HA -0.036 4.282 4.320 -0.003 0.000 0.220 458 A C 1.611 179.213 177.584 0.029 0.000 1.170 458 A CA 1.748 53.803 52.037 0.031 0.000 0.636 458 A CB -0.565 18.461 19.000 0.044 0.000 0.810 458 A HN 0.479 nan 8.150 nan 0.000 0.448 459 G N -2.780 106.021 108.800 0.002 0.000 2.157 459 G HA2 0.013 3.972 3.960 -0.003 0.000 0.118 459 G HA3 0.013 3.972 3.960 -0.003 0.000 0.118 459 G C -0.440 174.449 174.900 -0.018 0.000 1.032 459 G CA -0.107 45.002 45.100 0.014 0.000 0.697 459 G HN 0.321 nan 8.290 nan 0.000 0.495 460 L N 0.560 121.731 121.223 -0.087 0.000 2.325 460 L HA 0.608 4.946 4.340 -0.003 0.000 0.279 460 L C 0.650 177.434 176.870 -0.143 0.000 1.054 460 L CA -0.598 54.148 54.840 -0.156 0.000 0.804 460 L CB 1.805 43.641 42.059 -0.371 0.000 1.200 460 L HN 0.300 nan 8.230 nan 0.000 0.436 461 Q N 1.560 121.320 119.800 -0.066 0.000 2.456 461 Q HA 0.254 4.592 4.340 -0.003 0.000 0.234 461 Q C 0.425 176.428 176.000 0.006 0.000 1.061 461 Q CA -0.363 55.445 55.803 0.009 0.000 0.896 461 Q CB 0.914 29.733 28.738 0.136 0.000 1.233 461 Q HN 0.638 nan 8.270 nan 0.000 0.506 462 V N 3.419 123.287 119.914 -0.077 0.000 2.237 462 V HA -0.137 3.982 4.120 -0.003 0.000 0.245 462 V C 1.144 177.316 176.094 0.129 0.000 1.046 462 V CA 1.683 63.983 62.300 -0.000 0.000 1.007 462 V CB -1.073 30.724 31.823 -0.043 0.000 0.638 462 V HN 0.662 nan 8.190 nan 0.000 0.445 463 V N -3.205 116.729 119.914 0.032 0.000 3.164 463 V HA 1.038 5.156 4.120 -0.003 0.000 0.313 463 V C -0.516 175.466 176.094 -0.185 0.000 1.188 463 V CA -0.372 61.916 62.300 -0.021 0.000 1.058 463 V CB 1.537 33.348 31.823 -0.020 0.000 1.110 463 V HN 0.795 nan 8.190 nan 0.000 0.453 464 A N 0.416 123.038 122.820 -0.329 0.000 2.586 464 A HA 0.776 5.094 4.320 -0.003 0.000 0.290 464 A C -1.472 175.935 177.584 -0.294 0.000 1.086 464 A CA -0.814 50.949 52.037 -0.458 0.000 0.665 464 A CB 1.303 19.629 19.000 -1.123 0.000 1.279 464 A HN 1.076 nan 8.150 nan 0.000 0.423 465 L N 1.560 122.671 121.223 -0.187 0.000 2.264 465 L HA 0.574 4.913 4.340 -0.003 0.000 0.289 465 L C 1.018 177.884 176.870 -0.007 0.000 1.044 465 L CA -0.191 54.625 54.840 -0.040 0.000 0.807 465 L CB 1.370 43.494 42.059 0.108 0.000 1.192 465 L HN 0.964 nan 8.230 nan 0.000 0.425 466 S N 3.118 118.814 115.700 -0.006 0.000 2.700 466 S HA 0.603 5.072 4.470 -0.003 0.000 0.321 466 S C 0.607 175.214 174.600 0.012 0.000 1.161 466 S CA 0.253 58.457 58.200 0.007 0.000 1.078 466 S CB -0.017 63.187 63.200 0.007 0.000 1.302 466 S HN 0.891 nan 8.310 nan 0.000 0.540 467 G N 0.144 108.944 108.800 0.000 0.000 2.359 467 G HA2 0.668 4.626 3.960 -0.003 0.000 0.293 467 G HA3 0.668 4.626 3.960 -0.003 0.000 0.293 467 G C -1.102 173.725 174.900 -0.121 0.000 1.300 467 G CA 0.048 45.090 45.100 -0.097 0.000 0.888 467 G HN 1.617 nan 8.290 nan 0.000 0.541 468 A N -0.832 121.827 122.820 -0.269 0.000 2.401 468 A HA 0.971 5.289 4.320 -0.003 0.000 0.310 468 A C -1.314 176.041 177.584 -0.382 0.000 1.075 468 A CA -0.633 51.311 52.037 -0.155 0.000 0.746 468 A CB 1.313 20.281 19.000 -0.053 0.000 1.277 468 A HN 1.242 nan 8.150 nan 0.000 0.425 469 Y N 0.491 120.791 120.300 -0.000 0.000 2.693 469 Y HA 0.577 5.126 4.550 -0.003 0.000 0.331 469 Y C -1.169 174.722 175.900 -0.016 0.000 1.092 469 Y CA -1.723 56.369 58.100 -0.013 0.000 1.131 469 Y CB 0.528 38.982 38.460 -0.010 0.000 1.318 469 Y HN 0.524 nan 8.280 nan 0.000 0.510 470 P HA -0.025 nan 4.420 nan 0.000 0.217 470 P C -0.172 177.169 177.300 0.069 0.000 1.150 470 P CA 1.218 64.358 63.100 0.066 0.000 0.832 470 P CB 0.152 31.870 31.700 0.029 0.000 0.787 471 A N 0.313 123.180 122.820 0.079 0.000 2.271 471 A HA 0.315 4.633 4.320 -0.003 0.000 0.317 471 A C 0.756 178.372 177.584 0.054 0.000 1.245 471 A CA -0.500 51.566 52.037 0.048 0.000 0.857 471 A CB 0.767 19.780 19.000 0.020 0.000 1.175 471 A HN -0.092 nan 8.150 nan 0.000 0.512 472 E N 1.218 121.452 120.200 0.056 0.000 2.274 472 E HA 0.031 4.380 4.350 -0.003 0.000 0.194 472 E C -0.089 176.502 176.600 -0.016 0.000 0.996 472 E CA 0.659 57.109 56.400 0.084 0.000 0.840 472 E CB 0.086 29.878 29.700 0.153 0.000 0.772 472 E HN 0.515 nan 8.360 nan 0.000 0.491 473 L N 0.033 121.185 121.223 -0.119 0.000 2.409 473 L HA 0.593 4.932 4.340 -0.003 0.000 0.272 473 L C -1.584 175.217 176.870 -0.115 0.000 0.980 473 L CA -0.744 53.951 54.840 -0.240 0.000 0.826 473 L CB 1.787 43.531 42.059 -0.525 0.000 1.268 473 L HN -0.126 nan 8.230 nan 0.000 0.407 474 A N 4.669 127.433 122.820 -0.092 0.000 2.304 474 A HA 0.760 5.079 4.320 -0.003 0.000 0.314 474 A C -1.485 176.074 177.584 -0.042 0.000 1.187 474 A CA -0.550 51.459 52.037 -0.046 0.000 0.810 474 A CB 1.618 20.582 19.000 -0.060 0.000 1.183 474 A HN 0.707 nan 8.150 nan 0.000 0.487 475 V N 2.579 122.485 119.914 -0.015 0.000 2.588 475 V HA 0.840 4.959 4.120 -0.003 0.000 0.304 475 V C 0.276 176.325 176.094 -0.075 0.000 1.042 475 V CA 0.228 62.477 62.300 -0.085 0.000 0.877 475 V CB 1.830 33.564 31.823 -0.149 0.000 0.996 475 V HN 1.278 nan 8.190 nan 0.000 0.425 476 G N 5.246 113.967 108.800 -0.133 0.000 2.372 476 G HA2 0.654 4.612 3.960 -0.003 0.000 0.323 476 G HA3 0.654 4.612 3.960 -0.003 0.000 0.323 476 G C -1.357 173.463 174.900 -0.134 0.000 1.152 476 G CA -0.439 44.647 45.100 -0.022 0.000 0.906 476 G HN 0.544 nan 8.290 nan 0.000 0.460 477 F N 1.048 121.128 119.950 0.216 0.000 2.427 477 F HA 0.426 4.952 4.527 -0.003 0.000 0.346 477 F C -0.012 175.986 175.800 0.330 0.000 1.120 477 F CA -0.663 57.525 58.000 0.313 0.000 1.033 477 F CB 2.541 41.828 39.000 0.478 0.000 1.126 477 F HN 0.323 nan 8.300 nan 0.000 0.462 478 D N 2.236 122.893 120.400 0.428 0.000 2.787 478 D HA 0.654 5.292 4.640 -0.003 0.000 0.246 478 D C -1.215 175.138 176.300 0.089 0.000 1.150 478 D CA -0.344 53.782 54.000 0.210 0.000 0.864 478 D CB 1.798 42.638 40.800 0.066 0.000 1.481 478 D HN 0.625 nan 8.370 nan 0.000 0.509 479 A N 1.991 124.649 122.820 -0.270 0.000 2.312 479 A HA 0.707 5.026 4.320 -0.003 0.000 0.328 479 A C 0.428 177.868 177.584 -0.240 0.000 1.158 479 A CA -0.443 51.262 52.037 -0.553 0.000 0.821 479 A CB 1.294 19.468 19.000 -1.377 0.000 1.170 479 A HN 0.568 nan 8.150 nan 0.000 0.490 480 G N 0.441 109.160 108.800 -0.135 0.000 3.628 480 G HA2 0.569 4.528 3.960 -0.003 0.000 0.328 480 G HA3 0.569 4.528 3.960 -0.003 0.000 0.328 480 G C 0.157 175.049 174.900 -0.013 0.000 1.200 480 G CA 0.107 45.172 45.100 -0.057 0.000 1.364 480 G HN 1.747 nan 8.290 nan 0.000 0.503 481 G N -0.395 108.384 108.800 -0.034 0.000 1.873 481 G HA2 0.483 4.441 3.960 -0.003 0.000 0.199 481 G HA3 0.483 4.441 3.960 -0.003 0.000 0.199 481 G C 0.494 175.379 174.900 -0.025 0.000 1.821 481 G CA 0.378 45.497 45.100 0.031 0.000 0.955 481 G HN 0.880 nan 8.290 nan 0.000 0.616 482 R N 0.052 120.534 120.500 -0.031 0.000 2.153 482 R HA -0.013 4.326 4.340 -0.003 0.000 0.252 482 R C 2.363 178.642 176.300 -0.036 0.000 1.158 482 R CA 3.397 59.472 56.100 -0.042 0.000 0.975 482 R CB -1.482 28.804 30.300 -0.024 0.000 0.871 482 R HN 1.636 nan 8.270 nan 0.000 0.450 483 E N 0.121 120.320 120.200 -0.001 0.000 2.028 483 E HA 0.086 4.434 4.350 -0.003 0.000 0.191 483 E C 1.526 178.124 176.600 -0.004 0.000 0.988 483 E CA 1.742 58.150 56.400 0.013 0.000 0.799 483 E CB -0.240 29.489 29.700 0.048 0.000 0.755 483 E HN 1.166 nan 8.360 nan 0.000 0.447 484 S N -3.145 112.539 115.700 -0.026 0.000 2.755 484 S HA 0.548 5.017 4.470 -0.003 0.000 0.286 484 S C -0.318 174.197 174.600 -0.142 0.000 1.207 484 S CA -0.117 58.056 58.200 -0.044 0.000 0.892 484 S CB -0.064 63.167 63.200 0.052 0.000 1.240 484 S HN 0.275 nan 8.310 nan 0.000 0.525 485 F N 1.812 121.755 119.950 -0.012 0.000 2.660 485 F HA 0.345 4.871 4.527 -0.003 0.000 0.302 485 F C 2.269 178.014 175.800 -0.092 0.000 1.103 485 F CA -0.358 57.630 58.000 -0.020 0.000 1.340 485 F CB -0.005 38.964 39.000 -0.052 0.000 1.048 485 F HN 0.619 nan 8.300 nan 0.000 0.551 486 R N -0.356 120.097 120.500 -0.078 0.000 2.341 486 R HA -0.095 4.243 4.340 -0.003 0.000 0.213 486 R C 0.358 176.363 176.300 -0.490 0.000 1.082 486 R CA 1.434 57.333 56.100 -0.335 0.000 1.017 486 R CB -0.847 29.132 30.300 -0.534 0.000 0.860 486 R HN 0.301 nan 8.270 nan 0.000 0.473 487 F N 0.295 120.273 119.950 0.047 0.000 2.724 487 F HA 0.411 4.936 4.527 -0.003 0.000 0.310 487 F C 1.122 176.946 175.800 0.041 0.000 1.107 487 F CA 0.147 58.165 58.000 0.030 0.000 1.218 487 F CB 1.535 40.538 39.000 0.006 0.000 1.042 487 F HN 0.340 nan 8.300 nan 0.000 0.540 488 G N 0.245 109.169 108.800 0.207 0.000 2.447 488 G HA2 0.362 4.320 3.960 -0.003 0.000 0.220 488 G HA3 0.362 4.320 3.960 -0.003 0.000 0.220 488 G C -0.305 174.726 174.900 0.218 0.000 1.261 488 G CA -0.327 44.888 45.100 0.193 0.000 1.000 488 G HN 0.968 nan 8.290 nan 0.000 0.515 489 G N -2.206 106.707 108.800 0.189 0.000 2.369 489 G HA2 0.700 4.658 3.960 -0.003 0.000 0.295 489 G HA3 0.700 4.658 3.960 -0.003 0.000 0.295 489 G C -0.341 174.675 174.900 0.194 0.000 1.298 489 G CA 1.108 46.314 45.100 0.177 0.000 0.940 489 G HN 2.681 nan 8.290 nan 0.000 0.536 490 A N -1.195 121.723 122.820 0.164 0.000 2.475 490 A HA 1.191 5.510 4.320 -0.003 0.000 0.281 490 A C 0.010 177.650 177.584 0.094 0.000 1.263 490 A CA 0.293 52.396 52.037 0.110 0.000 0.776 490 A CB 1.263 20.258 19.000 -0.009 0.000 1.347 490 A HN 2.703 nan 8.150 nan 0.000 0.443 491 A N -1.386 121.431 122.820 -0.005 0.000 2.587 491 A HA 0.681 5.000 4.320 -0.003 0.000 0.293 491 A C -1.118 176.416 177.584 -0.085 0.000 1.087 491 A CA -0.358 51.569 52.037 -0.184 0.000 0.692 491 A CB 0.972 19.691 19.000 -0.469 0.000 1.291 491 A HN 1.452 nan 8.150 nan 0.000 0.407 492 C N 0.550 119.784 119.300 -0.110 0.000 2.783 492 C HA 0.931 5.389 4.460 -0.003 0.000 0.312 492 C C 0.353 175.329 174.990 -0.023 0.000 1.182 492 C CA 0.063 59.096 59.018 0.025 0.000 1.432 492 C CB 1.114 28.923 27.740 0.115 0.000 1.933 492 C HN 1.423 nan 8.230 nan 0.000 0.473 493 A N 2.268 125.100 122.820 0.020 0.000 2.469 493 A HA 1.013 5.331 4.320 -0.003 0.000 0.299 493 A C -1.230 176.385 177.584 0.052 0.000 1.098 493 A CA -0.408 51.626 52.037 -0.004 0.000 0.737 493 A CB 1.303 20.273 19.000 -0.049 0.000 1.312 493 A HN 0.827 nan 8.150 nan 0.000 0.414 494 V N -0.661 119.274 119.914 0.035 0.000 3.159 494 V HA 0.959 5.077 4.120 -0.003 0.000 0.308 494 V C 0.236 176.367 176.094 0.062 0.000 1.190 494 V CA 0.082 62.427 62.300 0.076 0.000 1.037 494 V CB 1.988 33.834 31.823 0.038 0.000 1.060 494 V HN 2.289 nan 8.190 nan 0.000 0.437 495 G N -0.060 108.824 108.800 0.140 0.000 2.306 495 G HA2 0.645 4.603 3.960 -0.003 0.000 0.340 495 G HA3 0.645 4.603 3.960 -0.003 0.000 0.340 495 G C -0.457 174.635 174.900 0.320 0.000 1.630 495 G CA 0.251 45.443 45.100 0.153 0.000 0.937 495 G HN 2.175 nan 8.290 nan 0.000 0.693 499 G N 0.189 108.877 108.800 -0.187 0.000 2.870 499 G HA2 -0.006 3.953 3.960 -0.003 0.000 0.216 499 G HA3 -0.006 3.953 3.960 -0.003 0.000 0.216 499 G C 0.188 175.140 174.900 0.087 0.000 0.973 499 G CA 0.330 45.405 45.100 -0.042 0.000 0.807 499 G HN 1.494 nan 8.290 nan 0.000 0.573 500 H N 0.623 119.761 119.070 0.113 0.000 3.221 500 H HA 0.200 4.754 4.556 -0.003 0.000 0.272 500 H C 0.168 175.558 175.328 0.103 0.000 0.865 500 H CA 0.057 56.164 56.048 0.098 0.000 1.419 500 H CB 0.100 29.912 29.762 0.083 0.000 1.377 500 H HN 0.241 nan 8.280 nan 0.000 0.535 501 L N 3.771 125.119 121.223 0.208 0.000 2.325 501 L HA 0.519 4.857 4.340 -0.003 0.000 0.279 501 L C -0.210 176.741 176.870 0.135 0.000 1.054 501 L CA -1.060 53.874 54.840 0.157 0.000 0.804 501 L CB 1.026 43.161 42.059 0.126 0.000 1.200 501 L HN 0.669 nan 8.230 nan 0.000 0.436 502 L N -0.491 120.806 121.223 0.122 0.000 2.465 502 L HA 0.812 5.151 4.340 -0.003 0.000 0.257 502 L C -1.064 175.881 176.870 0.125 0.000 0.988 502 L CA -0.746 54.130 54.840 0.060 0.000 0.827 502 L CB 1.897 43.921 42.059 -0.059 0.000 1.397 502 L HN 0.869 nan 8.230 nan 0.000 0.410 503 W N -0.190 121.199 121.300 0.148 0.000 2.671 503 W HA 0.916 5.574 4.660 -0.003 0.000 0.360 503 W C -1.468 175.095 176.519 0.073 0.000 1.128 503 W CA -0.857 56.559 57.345 0.119 0.000 1.184 503 W CB 1.240 30.838 29.460 0.230 0.000 1.415 503 W HN 0.643 nan 8.180 nan 0.000 0.604 504 T N 1.910 116.693 114.554 0.381 0.000 2.923 504 T HA 0.566 4.914 4.350 -0.003 0.000 0.311 504 T C -1.018 173.908 174.700 0.377 0.000 1.183 504 T CA -0.616 61.604 62.100 0.201 0.000 1.020 504 T CB 2.112 70.982 68.868 0.002 0.000 1.165 504 T HN 0.345 nan 8.240 nan 0.000 0.482 505 L N 2.452 123.883 121.223 0.348 0.000 2.386 505 L HA 0.717 5.055 4.340 -0.003 0.000 0.271 505 L C -2.289 174.663 176.870 0.137 0.000 0.993 505 L CA -1.926 53.073 54.840 0.265 0.000 0.819 505 L CB 2.312 44.578 42.059 0.344 0.000 1.294 505 L HN 0.574 nan 8.230 nan 0.000 0.414 506 P HA 0.113 nan 4.420 nan 0.000 0.282 506 P C -0.262 177.071 177.300 0.055 0.000 1.274 506 P CA -0.301 62.833 63.100 0.057 0.000 0.770 506 P CB 0.714 32.457 31.700 0.072 0.000 0.867 507 E N 3.290 123.505 120.200 0.025 0.000 2.508 507 E HA 0.164 4.512 4.350 -0.003 0.000 0.266 507 E C 0.231 176.851 176.600 0.033 0.000 1.010 507 E CA 0.267 56.681 56.400 0.025 0.000 0.955 507 E CB 0.617 30.315 29.700 -0.003 0.000 0.946 507 E HN 0.461 nan 8.360 nan 0.000 0.454 508 A N 2.986 125.829 122.820 0.037 0.000 2.524 508 A HA 0.381 4.699 4.320 -0.003 0.000 0.250 508 A C 0.302 177.908 177.584 0.037 0.000 1.078 508 A CA 0.683 52.745 52.037 0.041 0.000 0.761 508 A CB 0.204 19.227 19.000 0.037 0.000 1.012 508 A HN 0.835 nan 8.150 nan 0.000 0.500 509 Q N 0.436 120.266 119.800 0.050 0.000 2.495 509 Q HA 0.756 5.094 4.340 -0.003 0.000 0.283 509 Q C 0.442 176.479 176.000 0.063 0.000 1.097 509 Q CA -0.031 55.802 55.803 0.049 0.000 0.836 509 Q CB 1.640 30.410 28.738 0.052 0.000 1.426 509 Q HN 2.026 nan 8.270 nan 0.000 0.459 510 A N -0.912 121.945 122.820 0.061 0.000 2.070 510 A HA 0.620 4.938 4.320 -0.003 0.000 0.202 510 A C 1.276 178.917 177.584 0.095 0.000 1.277 510 A CA 1.546 53.623 52.037 0.065 0.000 0.872 510 A CB 0.189 19.215 19.000 0.044 0.000 0.933 510 A HN 1.293 nan 8.150 nan 0.000 0.475 511 G N -0.412 108.446 108.800 0.098 0.000 3.194 511 G HA2 0.524 4.482 3.960 -0.003 0.000 0.160 511 G HA3 0.524 4.482 3.960 -0.003 0.000 0.160 511 G C -1.011 173.975 174.900 0.144 0.000 1.267 511 G CA -0.288 44.890 45.100 0.130 0.000 0.962 511 G HN 0.172 nan 8.290 nan 0.000 0.612 512 E N 0.080 120.304 120.200 0.040 0.000 2.242 512 E HA 0.653 5.001 4.350 -0.003 0.000 0.275 512 E C -0.090 176.449 176.600 -0.101 0.000 1.002 512 E CA -0.222 56.094 56.400 -0.141 0.000 0.841 512 E CB 1.858 31.432 29.700 -0.209 0.000 1.109 512 E HN 0.279 nan 8.360 nan 0.000 0.394 513 R N 1.328 121.747 120.500 -0.135 0.000 2.854 513 R HA 0.456 4.794 4.340 -0.003 0.000 0.271 513 R C -0.313 175.931 176.300 -0.093 0.000 0.996 513 R CA -1.088 54.966 56.100 -0.077 0.000 0.961 513 R CB 1.120 31.395 30.300 -0.041 0.000 1.182 513 R HN 0.464 nan 8.270 nan 0.000 0.479 514 I N 3.790 124.320 120.570 -0.066 0.000 2.792 514 I HA -0.011 4.158 4.170 -0.003 0.000 0.284 514 I C -1.648 174.427 176.117 -0.070 0.000 1.166 514 I CA -1.558 59.703 61.300 -0.065 0.000 1.375 514 I CB -0.178 37.793 38.000 -0.049 0.000 1.421 514 I HN 0.340 nan 8.210 nan 0.000 0.544 515 P HA -0.259 nan 4.420 nan 0.000 0.218 515 P C 1.397 178.631 177.300 -0.110 0.000 1.165 515 P CA 1.705 64.778 63.100 -0.045 0.000 0.922 515 P CB 0.008 31.696 31.700 -0.020 0.000 0.794 516 Q N -0.804 118.923 119.800 -0.122 0.000 2.541 516 Q HA -0.116 4.222 4.340 -0.003 0.000 0.215 516 Q C 1.484 177.394 176.000 -0.149 0.000 0.977 516 Q CA 1.192 56.886 55.803 -0.181 0.000 0.934 516 Q CB -0.837 27.818 28.738 -0.138 0.000 0.988 516 Q HN 0.439 nan 8.270 nan 0.000 0.521 517 E N 0.483 120.625 120.200 -0.098 0.000 2.216 517 E HA 0.012 4.360 4.350 -0.003 0.000 0.192 517 E C 2.047 178.604 176.600 -0.072 0.000 0.973 517 E CA 0.523 56.900 56.400 -0.038 0.000 0.851 517 E CB 0.411 30.097 29.700 -0.024 0.000 0.804 517 E HN 0.191 nan 8.360 nan 0.000 0.477 518 V N 1.213 121.059 119.914 -0.113 0.000 2.427 518 V HA -0.189 3.929 4.120 -0.003 0.000 0.248 518 V C 2.451 178.416 176.094 -0.215 0.000 1.051 518 V CA 1.113 63.346 62.300 -0.113 0.000 1.048 518 V CB -0.420 31.383 31.823 -0.034 0.000 0.666 518 V HN 0.060 nan 8.190 nan 0.000 0.456 519 V N -0.773 118.892 119.914 -0.416 0.000 2.358 519 V HA -0.263 3.856 4.120 -0.003 0.000 0.246 519 V C 2.053 177.993 176.094 -0.255 0.000 1.047 519 V CA 2.277 64.193 62.300 -0.641 0.000 1.035 519 V CB -0.655 30.448 31.823 -1.201 0.000 0.658 519 V HN 0.792 nan 8.190 nan 0.000 0.452 520 W N 0.938 122.030 121.300 -0.347 0.000 2.388 520 W HA -0.207 4.452 4.660 -0.003 0.000 0.294 520 W C 2.128 178.554 176.519 -0.155 0.000 1.212 520 W CA 1.428 58.641 57.345 -0.221 0.000 1.271 520 W CB -0.018 29.328 29.460 -0.190 0.000 1.126 520 W HN 0.358 nan 8.180 nan 0.000 0.535 521 D N 0.958 121.196 120.400 -0.269 0.000 2.106 521 D HA -0.250 4.388 4.640 -0.003 0.000 0.191 521 D C 2.314 178.428 176.300 -0.310 0.000 0.997 521 D CA 2.255 56.037 54.000 -0.364 0.000 0.834 521 D CB -0.583 40.104 40.800 -0.188 0.000 0.956 521 D HN 0.141 nan 8.370 nan 0.000 0.448 522 L N -0.427 120.722 121.223 -0.124 0.000 2.027 522 L HA -0.117 4.221 4.340 -0.003 0.000 0.206 522 L C 2.322 179.206 176.870 0.024 0.000 1.074 522 L CA 0.383 55.227 54.840 0.006 0.000 0.745 522 L CB -0.363 41.824 42.059 0.213 0.000 0.898 522 L HN 0.162 nan 8.230 nan 0.000 0.433 523 L N 0.333 121.647 121.223 0.152 0.000 2.017 523 L HA -0.237 4.101 4.340 -0.003 0.000 0.208 523 L C 2.525 179.382 176.870 -0.022 0.000 1.073 523 L CA 1.993 56.972 54.840 0.232 0.000 0.745 523 L CB -0.513 41.830 42.059 0.473 0.000 0.894 523 L HN 0.310 nan 8.230 nan 0.000 0.432 524 E N -0.454 119.441 120.200 -0.510 0.000 2.051 524 E HA -0.266 4.083 4.350 -0.003 0.000 0.192 524 E C 2.001 178.361 176.600 -0.400 0.000 0.991 524 E CA 1.727 57.708 56.400 -0.699 0.000 0.799 524 E CB -0.237 28.506 29.700 -1.596 0.000 0.748 524 E HN 0.602 nan 8.360 nan 0.000 0.449 525 E N -0.471 119.481 120.200 -0.414 0.000 2.160 525 E HA -0.183 4.165 4.350 -0.003 0.000 0.195 525 E C 2.059 178.630 176.600 -0.048 0.000 0.991 525 E CA 1.625 57.874 56.400 -0.252 0.000 0.810 525 E CB -0.075 29.495 29.700 -0.216 0.000 0.742 525 E HN 0.338 nan 8.360 nan 0.000 0.466 526 T N 1.206 115.742 114.554 -0.029 0.000 2.777 526 T HA -0.087 4.261 4.350 -0.003 0.000 0.266 526 T C 1.876 176.664 174.700 0.147 0.000 1.040 526 T CA 0.689 62.806 62.100 0.028 0.000 1.141 526 T CB -0.084 68.781 68.868 -0.006 0.000 0.868 526 T HN 0.112 nan 8.240 nan 0.000 0.444 527 L N -0.773 120.593 121.223 0.239 0.000 2.217 527 L HA 0.002 4.341 4.340 -0.003 0.000 0.211 527 L C 2.477 179.612 176.870 0.441 0.000 1.107 527 L CA 1.002 56.059 54.840 0.361 0.000 0.783 527 L CB -0.314 42.007 42.059 0.436 0.000 0.919 527 L HN 0.459 nan 8.230 nan 0.000 0.442 528 W N -0.076 121.237 121.300 0.021 0.000 2.408 528 W HA -0.151 4.508 4.660 -0.002 0.000 0.311 528 W C 2.614 179.128 176.519 -0.007 0.000 1.190 528 W CA 0.737 58.081 57.345 -0.001 0.000 1.321 528 W CB -0.079 29.351 29.460 -0.049 0.000 1.143 528 W HN 0.136 nan 8.180 nan 0.000 0.501 529 A N -0.094 122.857 122.820 0.217 0.000 1.978 529 A HA -0.267 4.051 4.320 -0.003 0.000 0.220 529 A C 1.663 179.274 177.584 0.046 0.000 1.170 529 A CA 1.714 53.789 52.037 0.063 0.000 0.636 529 A CB -1.191 17.800 19.000 -0.014 0.000 0.810 529 A HN 0.344 nan 8.150 nan 0.000 0.448 530 F N 0.124 120.051 119.950 -0.038 0.000 2.074 530 F HA -0.038 4.487 4.527 -0.003 0.000 0.293 530 F C 2.356 178.113 175.800 -0.072 0.000 1.116 530 F CA 1.715 59.675 58.000 -0.067 0.000 1.212 530 F CB -0.434 38.565 39.000 -0.001 0.000 0.998 530 F HN 0.182 nan 8.300 nan 0.000 0.471 531 R N 0.697 121.202 120.500 0.008 0.000 2.115 531 R HA -0.288 4.050 4.340 -0.003 0.000 0.239 531 R C 2.381 178.553 176.300 -0.214 0.000 1.133 531 R CA 2.356 58.368 56.100 -0.148 0.000 0.935 531 R CB -0.561 29.625 30.300 -0.190 0.000 0.853 531 R HN 0.357 nan 8.270 nan 0.000 0.433 532 R N 0.080 120.480 120.500 -0.166 0.000 2.341 532 R HA -0.039 4.299 4.340 -0.003 0.000 0.213 532 R C 1.175 177.376 176.300 -0.166 0.000 1.082 532 R CA 1.376 57.389 56.100 -0.144 0.000 1.017 532 R CB 0.208 30.454 30.300 -0.091 0.000 0.860 532 R HN 0.055 nan 8.270 nan 0.000 0.473 533 K N -1.096 119.151 120.400 -0.255 0.000 2.425 533 K HA 0.303 4.621 4.320 -0.003 0.000 0.201 533 K C 0.751 177.155 176.600 -0.327 0.000 1.128 533 K CA 0.828 56.929 56.287 -0.309 0.000 1.000 533 K CB 1.504 33.742 32.500 -0.437 0.000 0.961 533 K HN 0.231 nan 8.250 nan 0.000 0.555 534 A N -0.516 122.038 122.820 -0.443 0.000 2.390 534 A HA 0.417 4.735 4.320 -0.003 0.000 0.225 534 A C 1.230 178.665 177.584 -0.249 0.000 1.232 534 A CA 0.818 52.643 52.037 -0.353 0.000 0.964 534 A CB 0.331 18.873 19.000 -0.763 0.000 1.064 534 A HN 0.195 nan 8.150 nan 0.000 0.525 535 G N -0.279 108.376 108.800 -0.241 0.000 2.196 535 G HA2 -0.329 3.630 3.960 -0.003 0.000 0.268 535 G HA3 -0.329 3.630 3.960 -0.003 0.000 0.268 535 G C 0.448 175.275 174.900 -0.121 0.000 0.975 535 G CA 1.013 46.022 45.100 -0.152 0.000 0.648 535 G HN 0.844 nan 8.290 nan 0.000 0.538 536 R N -0.860 119.557 120.500 -0.139 0.000 2.873 536 R HA 0.789 5.128 4.340 -0.003 0.000 0.264 536 R C -1.179 175.154 176.300 0.055 0.000 1.026 536 R CA -1.076 55.005 56.100 -0.032 0.000 1.002 536 R CB 0.959 31.264 30.300 0.008 0.000 1.174 536 R HN 0.273 nan 8.270 nan 0.000 0.488 537 L N 4.017 125.308 121.223 0.113 0.000 2.298 537 L HA 0.483 4.821 4.340 -0.003 0.000 0.284 537 L C -2.166 174.835 176.870 0.219 0.000 1.013 537 L CA -2.118 52.830 54.840 0.180 0.000 0.824 537 L CB 1.533 43.643 42.059 0.084 0.000 1.221 537 L HN 0.582 nan 8.230 nan 0.000 0.418 538 P HA -0.021 nan 4.420 nan 0.000 0.259 538 P C 0.043 177.413 177.300 0.117 0.000 1.163 538 P CA 0.341 63.543 63.100 0.170 0.000 0.760 538 P CB 0.652 32.350 31.700 -0.003 0.000 0.762 539 S N 2.545 118.306 115.700 0.101 0.000 2.387 539 S HA -0.067 4.402 4.470 -0.003 0.000 0.226 539 S C 1.109 175.748 174.600 0.065 0.000 1.026 539 S CA 0.804 59.049 58.200 0.074 0.000 0.972 539 S CB -0.064 63.172 63.200 0.060 0.000 0.814 539 S HN 0.574 nan 8.310 nan 0.000 0.477 540 R N 0.617 121.154 120.500 0.062 0.000 2.651 540 R HA 0.518 4.856 4.340 -0.003 0.000 0.278 540 R C -1.716 174.620 176.300 0.060 0.000 1.010 540 R CA -0.550 55.586 56.100 0.060 0.000 0.896 540 R CB 1.714 32.037 30.300 0.038 0.000 1.211 540 R HN 0.121 nan 8.270 nan 0.000 0.456 541 V N 1.272 121.247 119.914 0.101 0.000 2.864 541 V HA 0.680 4.798 4.120 -0.003 0.000 0.314 541 V C -1.240 174.927 176.094 0.121 0.000 1.073 541 V CA -1.108 61.248 62.300 0.093 0.000 0.956 541 V CB 1.738 33.638 31.823 0.129 0.000 1.023 541 V HN 0.620 nan 8.190 nan 0.000 0.435 542 L N 4.322 125.594 121.223 0.081 0.000 2.319 542 L HA 0.639 4.978 4.340 -0.003 0.000 0.281 542 L C -0.767 176.173 176.870 0.117 0.000 1.005 542 L CA -0.406 54.483 54.840 0.082 0.000 0.828 542 L CB 0.960 43.033 42.059 0.023 0.000 1.227 542 L HN 0.728 nan 8.230 nan 0.000 0.415 543 L N 6.512 127.832 121.223 0.162 0.000 2.287 543 L HA 0.523 4.861 4.340 -0.003 0.000 0.287 543 L C -0.728 176.236 176.870 0.157 0.000 1.022 543 L CA -0.552 54.428 54.840 0.233 0.000 0.814 543 L CB 1.427 43.645 42.059 0.266 0.000 1.217 543 L HN 0.515 nan 8.230 nan 0.000 0.420 544 L N 4.695 126.038 121.223 0.200 0.000 2.334 544 L HA 0.703 5.041 4.340 -0.003 0.000 0.276 544 L C -0.231 176.758 176.870 0.198 0.000 1.014 544 L CA -0.697 54.220 54.840 0.129 0.000 0.815 544 L CB 1.910 44.026 42.059 0.095 0.000 1.268 544 L HN 0.687 nan 8.230 nan 0.000 0.428 545 R N -0.093 120.459 120.500 0.085 0.000 2.739 545 R HA 0.379 4.718 4.340 -0.003 0.000 0.271 545 R C -0.902 175.442 176.300 0.073 0.000 1.010 545 R CA -0.934 55.244 56.100 0.130 0.000 0.897 545 R CB 1.497 31.771 30.300 -0.044 0.000 1.236 545 R HN 0.368 nan 8.270 nan 0.000 0.466 546 D N 0.895 121.359 120.400 0.107 0.000 2.324 546 D HA 0.059 4.697 4.640 -0.003 0.000 0.235 546 D C 0.795 177.112 176.300 0.028 0.000 1.095 546 D CA 1.090 55.123 54.000 0.054 0.000 0.871 546 D CB 0.165 40.996 40.800 0.051 0.000 0.906 546 D HN 0.943 nan 8.370 nan 0.000 0.522 547 G N 2.059 110.871 108.800 0.019 0.000 2.352 547 G HA2 -0.406 3.552 3.960 -0.003 0.000 0.295 547 G HA3 -0.406 3.552 3.960 -0.003 0.000 0.295 547 G C 1.206 176.115 174.900 0.014 0.000 0.991 547 G CA 1.086 46.185 45.100 -0.000 0.000 0.796 547 G HN 0.359 nan 8.290 nan 0.000 0.511 548 R N -1.039 119.480 120.500 0.032 0.000 2.062 548 R HA 0.313 4.651 4.340 -0.003 0.000 0.226 548 R C 1.779 178.098 176.300 0.032 0.000 1.125 548 R CA 1.055 57.166 56.100 0.019 0.000 0.966 548 R CB -0.042 30.261 30.300 0.005 0.000 0.861 548 R HN 0.514 nan 8.270 nan 0.000 0.433 549 V N 1.650 121.607 119.914 0.072 0.000 2.953 549 V HA 0.308 4.426 4.120 -0.003 0.000 0.304 549 V C -2.296 173.868 176.094 0.118 0.000 1.073 549 V CA -2.311 60.056 62.300 0.113 0.000 1.064 549 V CB 1.296 33.256 31.823 0.229 0.000 1.047 549 V HN 0.180 nan 8.190 nan 0.000 0.478 550 P HA 0.138 nan 4.420 nan 0.000 0.272 550 P C 0.097 177.465 177.300 0.114 0.000 1.223 550 P CA 0.132 63.279 63.100 0.078 0.000 0.784 550 P CB 0.370 32.104 31.700 0.057 0.000 0.923 551 Q N 1.590 121.429 119.800 0.064 0.000 2.364 551 Q HA -0.181 4.158 4.340 -0.003 0.000 0.207 551 Q C 0.637 176.694 176.000 0.095 0.000 0.970 551 Q CA 1.615 57.452 55.803 0.057 0.000 0.888 551 Q CB -0.132 28.604 28.738 -0.004 0.000 0.951 551 Q HN 0.541 nan 8.270 nan 0.000 0.469 552 D N -0.913 119.527 120.400 0.067 0.000 2.347 552 D HA -0.133 4.505 4.640 -0.003 0.000 0.215 552 D C 0.878 177.192 176.300 0.024 0.000 0.976 552 D CA 0.515 54.536 54.000 0.035 0.000 0.884 552 D CB -0.006 40.798 40.800 0.007 0.000 0.915 552 D HN 0.309 nan 8.370 nan 0.000 0.526 553 E N -0.554 119.686 120.200 0.065 0.000 2.478 553 E HA -0.061 4.288 4.350 -0.003 0.000 0.198 553 E C 0.397 176.844 176.600 -0.255 0.000 1.046 553 E CA 0.356 56.726 56.400 -0.049 0.000 0.870 553 E CB -0.130 29.594 29.700 0.039 0.000 0.818 553 E HN 0.429 nan 8.360 nan 0.000 0.527 554 F N 0.280 120.111 119.950 -0.198 0.000 2.695 554 F HA 0.268 4.793 4.527 -0.003 0.000 0.303 554 F C 2.029 177.687 175.800 -0.238 0.000 1.091 554 F CA -0.127 57.709 58.000 -0.274 0.000 1.300 554 F CB 0.131 38.969 39.000 -0.271 0.000 1.071 554 F HN -0.043 nan 8.300 nan 0.000 0.578 555 A N 0.556 123.333 122.820 -0.071 0.000 1.851 555 A HA -0.171 4.147 4.320 -0.003 0.000 0.216 555 A C 2.230 179.709 177.584 -0.175 0.000 1.195 555 A CA 1.460 53.436 52.037 -0.101 0.000 0.622 555 A CB -0.885 18.068 19.000 -0.077 0.000 0.831 555 A HN 0.198 nan 8.150 nan 0.000 0.444 556 L N -0.677 120.428 121.223 -0.197 0.000 2.013 556 L HA -0.258 4.080 4.340 -0.003 0.000 0.212 556 L C 3.036 179.650 176.870 -0.426 0.000 1.073 556 L CA 2.358 57.039 54.840 -0.266 0.000 0.753 556 L CB -1.742 40.203 42.059 -0.190 0.000 0.890 556 L HN 0.503 nan 8.230 nan 0.000 0.432 557 A N -0.688 121.926 122.820 -0.343 0.000 1.898 557 A HA -0.139 4.179 4.320 -0.003 0.000 0.216 557 A C 2.313 179.656 177.584 -0.403 0.000 1.181 557 A CA 1.040 52.865 52.037 -0.353 0.000 0.620 557 A CB -0.550 18.378 19.000 -0.120 0.000 0.819 557 A HN 0.399 nan 8.150 nan 0.000 0.442 558 L N -0.758 120.244 121.223 -0.368 0.000 2.275 558 L HA -0.119 4.220 4.340 -0.003 0.000 0.215 558 L C 2.568 179.235 176.870 -0.339 0.000 1.119 558 L CA 1.354 55.873 54.840 -0.535 0.000 0.790 558 L CB -0.256 41.534 42.059 -0.449 0.000 0.919 558 L HN 0.538 nan 8.230 nan 0.000 0.443 559 E N 0.101 120.130 120.200 -0.284 0.000 2.276 559 E HA -0.063 4.285 4.350 -0.003 0.000 0.193 559 E C 2.108 178.536 176.600 -0.286 0.000 0.983 559 E CA 0.766 57.043 56.400 -0.205 0.000 0.861 559 E CB 0.364 29.953 29.700 -0.185 0.000 0.817 559 E HN 0.383 nan 8.360 nan 0.000 0.485 560 A N 1.720 124.222 122.820 -0.530 0.000 1.858 560 A HA -0.140 4.179 4.320 -0.003 0.000 0.216 560 A C 2.264 179.610 177.584 -0.396 0.000 1.190 560 A CA 1.035 52.609 52.037 -0.772 0.000 0.617 560 A CB -0.819 16.993 19.000 -1.980 0.000 0.827 560 A HN 0.273 nan 8.150 nan 0.000 0.443 561 L N -0.715 120.340 121.223 -0.279 0.000 2.127 561 L HA -0.222 4.116 4.340 -0.003 0.000 0.211 561 L C 2.985 179.902 176.870 0.079 0.000 1.089 561 L CA 0.991 55.833 54.840 0.002 0.000 0.757 561 L CB -0.600 41.512 42.059 0.089 0.000 0.899 561 L HN 0.480 nan 8.230 nan 0.000 0.434 562 A N 0.077 122.929 122.820 0.054 0.000 2.067 562 A HA -0.145 4.173 4.320 -0.003 0.000 0.219 562 A C 2.208 179.811 177.584 0.031 0.000 1.158 562 A CA 1.151 53.242 52.037 0.090 0.000 0.661 562 A CB -0.328 18.720 19.000 0.079 0.000 0.801 562 A HN 0.380 nan 8.150 nan 0.000 0.452 563 R N -1.265 119.230 120.500 -0.009 0.000 2.359 563 R HA 0.210 4.548 4.340 -0.003 0.000 0.231 563 R C 1.540 177.865 176.300 0.041 0.000 0.913 563 R CA 0.725 56.826 56.100 0.003 0.000 1.075 563 R CB 0.199 30.482 30.300 -0.028 0.000 1.087 563 R HN 0.595 nan 8.270 nan 0.000 0.515 564 E N 0.152 120.392 120.200 0.067 0.000 2.473 564 E HA 0.181 4.530 4.350 -0.003 0.000 0.204 564 E C 1.182 177.835 176.600 0.088 0.000 0.994 564 E CA 0.536 56.999 56.400 0.105 0.000 0.945 564 E CB 0.270 30.069 29.700 0.165 0.000 0.990 564 E HN 0.313 nan 8.360 nan 0.000 0.493 565 G N 0.500 109.346 108.800 0.076 0.000 2.175 565 G HA2 -0.216 3.743 3.960 -0.003 0.000 0.244 565 G HA3 -0.216 3.743 3.960 -0.003 0.000 0.244 565 G C 0.587 175.529 174.900 0.071 0.000 0.982 565 G CA 0.160 45.297 45.100 0.062 0.000 0.641 565 G HN 1.173 nan 8.290 nan 0.000 0.527 566 I N -0.867 119.766 120.570 0.104 0.000 2.440 566 I HA 0.825 4.993 4.170 -0.003 0.000 0.294 566 I C 0.438 176.632 176.117 0.128 0.000 0.995 566 I CA -0.663 60.706 61.300 0.114 0.000 1.306 566 I CB 1.740 39.828 38.000 0.145 0.000 1.407 566 I HN 0.344 nan 8.210 nan 0.000 0.501 567 A N 5.813 128.673 122.820 0.066 0.000 2.304 567 A HA 0.736 5.054 4.320 -0.003 0.000 0.301 567 A C -0.812 176.790 177.584 0.031 0.000 1.132 567 A CA -0.401 51.613 52.037 -0.038 0.000 0.819 567 A CB 0.526 19.474 19.000 -0.087 0.000 1.094 567 A HN 0.859 nan 8.150 nan 0.000 0.492 568 Y N -0.872 119.460 120.300 0.052 0.000 2.705 568 Y HA 0.830 5.378 4.550 -0.003 0.000 0.332 568 Y C -1.043 174.907 175.900 0.083 0.000 1.157 568 Y CA -1.522 56.617 58.100 0.066 0.000 1.091 568 Y CB 1.422 39.927 38.460 0.075 0.000 1.301 568 Y HN 0.463 nan 8.280 nan 0.000 0.488 569 D N 1.580 122.187 120.400 0.346 0.000 2.964 569 D HA 0.308 4.946 4.640 -0.003 0.000 0.234 569 D C -1.689 174.798 176.300 0.311 0.000 1.223 569 D CA -0.348 53.839 54.000 0.311 0.000 0.889 569 D CB 3.035 43.913 40.800 0.129 0.000 1.609 569 D HN 0.616 nan 8.370 nan 0.000 0.523 570 L N 2.563 123.977 121.223 0.317 0.000 2.298 570 L HA 0.493 4.831 4.340 -0.003 0.000 0.284 570 L C -1.205 175.739 176.870 0.122 0.000 1.013 570 L CA -0.642 54.278 54.840 0.134 0.000 0.824 570 L CB 1.536 43.605 42.059 0.016 0.000 1.221 570 L HN 0.087 nan 8.230 nan 0.000 0.418 571 V N 3.260 123.201 119.914 0.044 0.000 2.540 571 V HA 0.400 4.518 4.120 -0.003 0.000 0.302 571 V C 0.023 176.097 176.094 -0.034 0.000 1.035 571 V CA -0.575 61.747 62.300 0.038 0.000 0.873 571 V CB 2.290 34.140 31.823 0.046 0.000 0.992 571 V HN 0.864 nan 8.190 nan 0.000 0.428 572 S N 4.247 119.919 115.700 -0.046 0.000 2.442 572 S HA 0.707 5.175 4.470 -0.003 0.000 0.297 572 S C -0.791 173.769 174.600 -0.067 0.000 1.131 572 S CA -0.625 57.535 58.200 -0.067 0.000 1.092 572 S CB 1.465 64.621 63.200 -0.072 0.000 0.998 572 S HN 0.424 nan 8.310 nan 0.000 0.478 573 V N 5.020 124.907 119.914 -0.046 0.000 2.328 573 V HA 0.460 4.578 4.120 -0.003 0.000 0.278 573 V C 0.163 176.233 176.094 -0.040 0.000 1.021 573 V CA -0.642 61.626 62.300 -0.055 0.000 0.838 573 V CB 0.643 32.450 31.823 -0.027 0.000 0.999 573 V HN 0.874 nan 8.190 nan 0.000 0.447 574 R N 3.404 123.870 120.500 -0.058 0.000 2.393 574 R HA 0.453 4.791 4.340 -0.003 0.000 0.310 574 R C 0.176 176.455 176.300 -0.035 0.000 0.968 574 R CA -0.782 55.295 56.100 -0.040 0.000 0.867 574 R CB 1.984 32.257 30.300 -0.045 0.000 1.124 574 R HN 0.505 nan 8.270 nan 0.000 0.450 575 K N 1.039 121.428 120.400 -0.018 0.000 2.366 575 K HA 0.033 4.352 4.320 -0.003 0.000 0.198 575 K C 0.855 177.450 176.600 -0.009 0.000 1.044 575 K CA 0.814 57.095 56.287 -0.011 0.000 0.973 575 K CB 0.420 32.919 32.500 -0.001 0.000 0.767 575 K HN 0.699 nan 8.250 nan 0.000 0.475 576 S N -0.443 115.250 115.700 -0.011 0.000 2.536 576 S HA 0.592 5.061 4.470 -0.003 0.000 0.298 576 S C 0.744 175.336 174.600 -0.013 0.000 1.083 576 S CA -0.425 57.772 58.200 -0.005 0.000 0.995 576 S CB 1.256 64.456 63.200 0.000 0.000 1.058 576 S HN 0.225 nan 8.310 nan 0.000 0.488 577 G N 0.350 109.147 108.800 -0.005 0.000 2.144 577 G HA2 0.025 3.983 3.960 -0.003 0.000 0.218 577 G HA3 0.025 3.983 3.960 -0.003 0.000 0.218 577 G C 0.838 175.727 174.900 -0.018 0.000 0.988 577 G CA 0.458 45.551 45.100 -0.011 0.000 0.659 577 G HN 1.775 nan 8.290 nan 0.000 0.522 578 G N -0.213 108.576 108.800 -0.018 0.000 3.088 578 G HA2 0.567 4.526 3.960 -0.003 0.000 0.217 578 G HA3 0.567 4.526 3.960 -0.003 0.000 0.217 578 G C 1.524 176.417 174.900 -0.012 0.000 1.159 578 G CA 1.483 46.569 45.100 -0.025 0.000 0.760 578 G HN 1.935 nan 8.290 nan 0.000 0.550 579 G N 0.372 109.177 108.800 0.008 0.000 2.574 579 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.282 579 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.282 579 G C -0.143 174.735 174.900 -0.038 0.000 1.257 579 G CA 0.133 45.243 45.100 0.016 0.000 0.956 579 G HN 0.666 nan 8.290 nan 0.000 0.560 580 R N -1.869 118.570 120.500 -0.102 0.000 2.919 580 R HA 0.803 5.141 4.340 -0.003 0.000 0.260 580 R C -0.553 175.501 176.300 -0.409 0.000 1.067 580 R CA -0.505 55.435 56.100 -0.266 0.000 1.003 580 R CB 2.041 32.121 30.300 -0.367 0.000 1.192 580 R HN 0.765 nan 8.270 nan 0.000 0.488 581 V N 2.170 121.765 119.914 -0.531 0.000 2.577 581 V HA 0.483 4.601 4.120 -0.003 0.000 0.303 581 V C -1.467 174.309 176.094 -0.530 0.000 1.042 581 V CA -0.800 61.241 62.300 -0.431 0.000 0.872 581 V CB 1.559 33.242 31.823 -0.234 0.000 0.998 581 V HN 0.554 nan 8.190 nan 0.000 0.423 582 Y N 5.150 125.443 120.300 -0.012 0.000 2.446 582 Y HA 0.582 5.130 4.550 -0.003 0.000 0.345 582 Y C -2.289 173.534 175.900 -0.129 0.000 0.984 582 Y CA -3.220 54.847 58.100 -0.056 0.000 1.058 582 Y CB 2.083 40.651 38.460 0.181 0.000 1.220 582 Y HN 0.390 nan 8.280 nan 0.000 0.455 583 P HA 0.049 nan 4.420 nan 0.000 0.276 583 P C 0.634 177.929 177.300 -0.009 0.000 1.243 583 P CA 0.125 63.110 63.100 -0.191 0.000 0.768 583 P CB 1.913 33.398 31.700 -0.359 0.000 0.856 584 V N 2.371 122.229 119.914 -0.093 0.000 2.220 584 V HA -0.182 3.937 4.120 -0.003 0.000 0.246 584 V C 1.487 177.649 176.094 0.113 0.000 1.049 584 V CA 2.947 65.230 62.300 -0.028 0.000 1.003 584 V CB -1.293 30.393 31.823 -0.228 0.000 0.634 584 V HN 0.845 nan 8.190 nan 0.000 0.444 585 Q N -2.036 117.786 119.800 0.036 0.000 2.377 585 Q HA 0.578 4.916 4.340 -0.003 0.000 0.279 585 Q C -0.092 175.926 176.000 0.030 0.000 1.049 585 Q CA 0.241 56.086 55.803 0.069 0.000 0.825 585 Q CB 1.486 30.258 28.738 0.056 0.000 1.401 585 Q HN 1.724 nan 8.270 nan 0.000 0.404 586 G N -1.152 107.685 108.800 0.061 0.000 2.710 586 G HA2 0.520 4.478 3.960 -0.003 0.000 0.668 586 G HA3 0.520 4.478 3.960 -0.003 0.000 0.668 586 G C 0.026 174.935 174.900 0.015 0.000 1.320 586 G CA 0.343 45.464 45.100 0.036 0.000 0.860 586 G HN 2.096 nan 8.290 nan 0.000 0.538 587 R N -0.936 119.557 120.500 -0.011 0.000 2.607 587 R HA 0.919 5.258 4.340 -0.003 0.000 0.261 587 R C 0.490 176.683 176.300 -0.178 0.000 1.051 587 R CA 0.025 56.079 56.100 -0.076 0.000 1.110 587 R CB 0.444 30.743 30.300 -0.002 0.000 1.158 587 R HN 1.094 nan 8.270 nan 0.000 0.543 588 L N 0.459 121.499 121.223 -0.304 0.000 2.375 588 L HA 0.792 5.130 4.340 -0.003 0.000 0.268 588 L C 0.621 177.281 176.870 -0.350 0.000 1.058 588 L CA -0.862 53.785 54.840 -0.322 0.000 0.803 588 L CB 1.949 43.766 42.059 -0.404 0.000 1.212 588 L HN 0.951 nan 8.230 nan 0.000 0.451 589 A N 0.557 123.241 122.820 -0.227 0.000 2.387 589 A HA 0.539 4.857 4.320 -0.003 0.000 0.303 589 A C -1.213 176.438 177.584 0.111 0.000 1.145 589 A CA -0.597 51.399 52.037 -0.069 0.000 0.801 589 A CB 1.294 20.313 19.000 0.031 0.000 1.342 589 A HN 0.614 nan 8.150 nan 0.000 0.440 590 D N -0.413 120.294 120.400 0.512 0.000 2.372 590 D HA 0.450 5.088 4.640 -0.003 0.000 0.243 590 D C 1.063 177.324 176.300 -0.064 0.000 1.121 590 D CA 1.752 55.945 54.000 0.322 0.000 0.898 590 D CB 0.777 41.744 40.800 0.279 0.000 1.202 590 D HN 1.392 nan 8.370 nan 0.000 0.428 591 G N 1.821 110.292 108.800 -0.549 0.000 2.204 591 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.244 591 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.244 591 G C -0.197 174.434 174.900 -0.448 0.000 1.062 591 G CA -0.058 44.287 45.100 -1.260 0.000 0.798 591 G HN 0.442 nan 8.290 nan 0.000 0.496 592 L N 1.073 122.158 121.223 -0.230 0.000 2.281 592 L HA 0.718 5.056 4.340 -0.003 0.000 0.285 592 L C -0.082 176.808 176.870 0.033 0.000 1.074 592 L CA -1.738 53.056 54.840 -0.076 0.000 0.817 592 L CB 0.509 42.515 42.059 -0.089 0.000 1.168 592 L HN 0.318 nan 8.230 nan 0.000 0.434 593 Y N 5.848 126.136 120.300 -0.020 0.000 2.369 593 Y HA 0.569 5.117 4.550 -0.003 0.000 0.337 593 Y C -1.090 174.871 175.900 0.102 0.000 0.961 593 Y CA -1.340 56.804 58.100 0.073 0.000 1.186 593 Y CB 1.095 39.603 38.460 0.081 0.000 1.139 593 Y HN 0.306 nan 8.280 nan 0.000 0.494 594 V N 9.702 129.593 119.914 -0.039 0.000 2.257 594 V HA 0.349 4.467 4.120 -0.003 0.000 0.269 594 V C -2.382 173.656 176.094 -0.093 0.000 1.040 594 V CA -1.955 60.246 62.300 -0.165 0.000 0.813 594 V CB 0.619 32.396 31.823 -0.077 0.000 1.065 594 V HN 0.693 nan 8.190 nan 0.000 0.457 595 P HA 0.354 nan 4.420 nan 0.000 0.271 595 P C -0.239 177.074 177.300 0.022 0.000 1.216 595 P CA 0.297 63.379 63.100 -0.031 0.000 0.776 595 P CB 1.129 32.766 31.700 -0.106 0.000 0.881 596 L N 1.053 122.332 121.223 0.093 0.000 2.931 596 L HA 0.376 4.715 4.340 -0.003 0.000 0.237 596 L C 0.605 177.516 176.870 0.068 0.000 1.986 596 L CA -1.049 53.829 54.840 0.063 0.000 2.186 596 L CB -0.196 41.900 42.059 0.061 0.000 2.326 596 L HN 0.292 nan 8.230 nan 0.000 0.575 597 E N 0.756 120.989 120.200 0.056 0.000 2.537 597 E HA -0.155 4.193 4.350 -0.003 0.000 0.269 597 E C 0.486 177.126 176.600 0.066 0.000 1.038 597 E CA 0.756 57.184 56.400 0.046 0.000 0.977 597 E CB -0.354 29.355 29.700 0.015 0.000 0.973 597 E HN 0.694 nan 8.360 nan 0.000 0.456 598 D N 1.967 122.401 120.400 0.057 0.000 2.369 598 D HA -0.171 4.468 4.640 -0.003 0.000 0.213 598 D C 1.492 177.851 176.300 0.098 0.000 0.982 598 D CA 2.549 56.590 54.000 0.068 0.000 0.931 598 D CB -0.413 40.413 40.800 0.043 0.000 0.889 598 D HN 0.641 nan 8.370 nan 0.000 0.487 599 K N -0.493 119.977 120.400 0.116 0.000 2.564 599 K HA 0.508 4.826 4.320 -0.003 0.000 0.201 599 K C 0.587 177.335 176.600 0.247 0.000 1.086 599 K CA 0.649 57.036 56.287 0.167 0.000 1.062 599 K CB 0.112 32.669 32.500 0.095 0.000 0.849 599 K HN 0.737 nan 8.250 nan 0.000 0.529 600 T N -1.134 113.564 114.554 0.241 0.000 2.916 600 T HA 0.876 5.224 4.350 -0.003 0.000 0.292 600 T C -0.685 174.257 174.700 0.404 0.000 1.055 600 T CA -0.466 61.775 62.100 0.236 0.000 1.009 600 T CB 1.080 69.993 68.868 0.074 0.000 1.118 600 T HN 0.870 nan 8.240 nan 0.000 0.497 601 F N -0.028 119.976 119.950 0.089 0.000 2.817 601 F HA 0.780 5.305 4.527 -0.003 0.000 0.317 601 F C -2.413 173.437 175.800 0.083 0.000 1.168 601 F CA -1.714 56.350 58.000 0.107 0.000 0.911 601 F CB 0.859 40.019 39.000 0.267 0.000 1.337 601 F HN 0.606 nan 8.300 nan 0.000 0.464 602 L N 2.111 123.462 121.223 0.213 0.000 2.346 602 L HA 0.734 5.073 4.340 -0.003 0.000 0.274 602 L C -1.441 175.538 176.870 0.183 0.000 1.007 602 L CA -1.106 53.775 54.840 0.067 0.000 0.818 602 L CB 1.946 44.020 42.059 0.026 0.000 1.284 602 L HN 0.662 nan 8.230 nan 0.000 0.424 603 L N 3.319 124.594 121.223 0.087 0.000 2.376 603 L HA 0.447 4.785 4.340 -0.003 0.000 0.275 603 L C -0.915 175.982 176.870 0.045 0.000 0.987 603 L CA -0.290 54.621 54.840 0.118 0.000 0.828 603 L CB 1.725 43.872 42.059 0.146 0.000 1.249 603 L HN 0.442 nan 8.230 nan 0.000 0.409 604 L N 4.546 125.775 121.223 0.011 0.000 2.657 604 L HA 0.289 4.627 4.340 -0.003 0.000 0.239 604 L C 1.432 178.326 176.870 0.041 0.000 1.215 604 L CA 0.414 55.265 54.840 0.018 0.000 1.161 604 L CB 0.094 42.147 42.059 -0.011 0.000 1.436 604 L HN 0.883 nan 8.230 nan 0.000 0.414 605 T N -1.337 113.276 114.554 0.099 0.000 2.778 605 T HA -0.086 4.263 4.350 -0.003 0.000 0.269 605 T C 0.726 175.590 174.700 0.274 0.000 1.050 605 T CA 1.445 63.705 62.100 0.266 0.000 1.137 605 T CB -0.486 68.542 68.868 0.267 0.000 0.860 605 T HN 0.367 nan 8.240 nan 0.000 0.468 606 V N -0.632 119.384 119.914 0.171 0.000 3.181 606 V HA 0.891 5.009 4.120 -0.003 0.000 0.308 606 V C -0.973 175.236 176.094 0.193 0.000 1.214 606 V CA -1.003 61.370 62.300 0.122 0.000 1.053 606 V CB 2.053 33.933 31.823 0.096 0.000 1.069 606 V HN 0.939 nan 8.190 nan 0.000 0.441 607 H N -1.113 118.018 119.070 0.102 0.000 2.849 607 H HA 0.856 5.410 4.556 -0.003 0.000 0.271 607 H C 0.144 175.533 175.328 0.102 0.000 1.461 607 H CA -0.137 55.964 56.048 0.087 0.000 1.146 607 H CB 0.443 30.244 29.762 0.066 0.000 1.834 607 H HN 1.806 nan 8.280 nan 0.000 0.555 612 G N 0.032 108.908 108.800 0.126 0.000 3.227 612 G HA2 0.500 4.458 3.960 -0.003 0.000 0.171 612 G HA3 0.500 4.458 3.960 -0.003 0.000 0.171 612 G C -0.347 174.669 174.900 0.193 0.000 1.463 612 G CA 0.816 46.000 45.100 0.140 0.000 1.016 612 G HN 0.748 nan 8.290 nan 0.000 0.594 613 T N 2.431 117.100 114.554 0.192 0.000 2.812 613 T HA 0.544 4.892 4.350 -0.003 0.000 0.282 613 T C -2.642 172.157 174.700 0.164 0.000 0.990 613 T CA -0.721 61.523 62.100 0.241 0.000 0.960 613 T CB 1.970 71.002 68.868 0.274 0.000 0.948 613 T HN 0.367 nan 8.240 nan 0.000 0.438 614 P HA 0.142 nan 4.420 nan 0.000 0.264 614 P C -0.704 176.628 177.300 0.054 0.000 1.193 614 P CA -0.358 62.799 63.100 0.095 0.000 0.763 614 P CB 0.711 32.462 31.700 0.085 0.000 0.810 615 R N 4.647 125.176 120.500 0.048 0.000 2.280 615 R HA 0.315 4.654 4.340 -0.003 0.000 0.326 615 R C -1.882 174.425 176.300 0.013 0.000 1.080 615 R CA -1.813 54.303 56.100 0.026 0.000 1.002 615 R CB 0.407 30.727 30.300 0.032 0.000 1.136 615 R HN 0.452 nan 8.270 nan 0.000 0.509 616 P HA -0.031 nan 4.420 nan 0.000 0.268 616 P C -0.324 176.966 177.300 -0.016 0.000 1.208 616 P CA 0.027 63.120 63.100 -0.012 0.000 0.777 616 P CB 1.044 32.723 31.700 -0.035 0.000 0.875 617 L N 1.874 123.086 121.223 -0.019 0.000 2.334 617 L HA 0.356 4.694 4.340 -0.003 0.000 0.277 617 L C 1.039 177.851 176.870 -0.098 0.000 1.075 617 L CA -0.481 54.332 54.840 -0.046 0.000 0.804 617 L CB 0.829 42.866 42.059 -0.036 0.000 1.174 617 L HN 0.377 nan 8.230 nan 0.000 0.438 618 K N 3.765 124.095 120.400 -0.118 0.000 2.293 618 K HA 0.584 4.903 4.320 -0.003 0.000 0.267 618 K C -1.498 174.955 176.600 -0.244 0.000 1.010 618 K CA -0.629 55.557 56.287 -0.168 0.000 0.875 618 K CB 0.971 33.407 32.500 -0.107 0.000 1.106 618 K HN 0.347 nan 8.250 nan 0.000 0.450 619 L N 3.444 124.390 121.223 -0.461 0.000 2.342 619 L HA 0.554 4.893 4.340 -0.003 0.000 0.271 619 L C -0.866 175.785 176.870 -0.365 0.000 1.008 619 L CA -0.989 53.557 54.840 -0.490 0.000 0.818 619 L CB 2.020 43.624 42.059 -0.759 0.000 1.296 619 L HN 0.233 nan 8.230 nan 0.000 0.427 620 V N -0.035 119.796 119.914 -0.137 0.000 2.577 620 V HA 0.278 4.397 4.120 -0.003 0.000 0.303 620 V C -0.587 175.587 176.094 0.133 0.000 1.042 620 V CA -0.632 61.678 62.300 0.016 0.000 0.872 620 V CB 1.574 33.394 31.823 -0.005 0.000 0.998 620 V HN 0.751 nan 8.190 nan 0.000 0.423 621 H N 3.669 122.804 119.070 0.109 0.000 2.969 621 H HA 0.259 4.813 4.556 -0.003 0.000 0.269 621 H C 0.732 176.092 175.328 0.053 0.000 1.223 621 H CA -0.251 55.861 56.048 0.107 0.000 1.400 621 H CB 0.660 30.509 29.762 0.144 0.000 1.500 621 H HN 0.794 nan 8.280 nan 0.000 0.486 622 E N 3.247 123.533 120.200 0.142 0.000 2.385 622 E HA 0.189 4.537 4.350 -0.003 0.000 0.194 622 E C -0.134 176.450 176.600 -0.027 0.000 1.013 622 E CA 0.191 56.600 56.400 0.015 0.000 0.866 622 E CB 0.684 30.375 29.700 -0.014 0.000 0.832 622 E HN 0.558 nan 8.360 nan 0.000 0.500 623 A N 0.145 122.968 122.820 0.005 0.000 2.599 623 A HA 0.655 4.974 4.320 -0.003 0.000 0.294 623 A C -0.216 177.418 177.584 0.085 0.000 1.055 623 A CA -0.199 51.846 52.037 0.014 0.000 0.683 623 A CB 1.195 20.309 19.000 0.191 0.000 1.278 623 A HN 0.179 nan 8.150 nan 0.000 0.412 624 G N 0.413 109.205 108.800 -0.013 0.000 2.331 624 G HA2 0.415 4.374 3.960 -0.003 0.000 0.479 624 G HA3 0.415 4.374 3.960 -0.003 0.000 0.479 624 G C -0.453 174.440 174.900 -0.012 0.000 1.262 624 G CA 0.852 45.980 45.100 0.047 0.000 1.029 624 G HN 1.757 nan 8.290 nan 0.000 0.487 625 D N -1.837 118.613 120.400 0.083 0.000 2.480 625 D HA 0.108 4.746 4.640 -0.003 0.000 0.276 625 D C 1.135 177.495 176.300 0.101 0.000 1.294 625 D CA 0.996 55.033 54.000 0.062 0.000 0.829 625 D CB -0.120 40.666 40.800 -0.023 0.000 1.242 625 D HN 1.119 nan 8.370 nan 0.000 0.513 626 T N 1.052 115.667 114.554 0.101 0.000 2.926 626 T HA 0.308 4.656 4.350 -0.003 0.000 0.307 626 T C -2.250 172.461 174.700 0.018 0.000 1.059 626 T CA -0.873 61.238 62.100 0.018 0.000 1.122 626 T CB 1.259 70.109 68.868 -0.030 0.000 0.972 626 T HN -0.114 nan 8.240 nan 0.000 0.545 627 P HA 0.155 nan 4.420 nan 0.000 0.275 627 P C 1.428 178.636 177.300 -0.155 0.000 1.227 627 P CA -0.518 62.549 63.100 -0.056 0.000 0.781 627 P CB 0.761 32.419 31.700 -0.068 0.000 0.906 628 L N 1.832 122.961 121.223 -0.157 0.000 2.103 628 L HA -0.290 4.048 4.340 -0.003 0.000 0.215 628 L C 2.386 178.877 176.870 -0.632 0.000 1.080 628 L CA 1.992 56.605 54.840 -0.379 0.000 0.764 628 L CB -0.899 40.993 42.059 -0.278 0.000 0.890 628 L HN 0.462 nan 8.230 nan 0.000 0.435 629 E N 0.279 120.206 120.200 -0.454 0.000 2.038 629 E HA -0.242 4.106 4.350 -0.003 0.000 0.195 629 E C 2.291 178.634 176.600 -0.429 0.000 1.000 629 E CA 1.379 57.442 56.400 -0.563 0.000 0.803 629 E CB -0.333 29.198 29.700 -0.283 0.000 0.750 629 E HN 0.548 nan 8.360 nan 0.000 0.448 630 A N 1.148 123.808 122.820 -0.267 0.000 1.969 630 A HA -0.107 4.212 4.320 -0.003 0.000 0.218 630 A C 2.203 179.712 177.584 -0.126 0.000 1.169 630 A CA 0.885 52.828 52.037 -0.156 0.000 0.635 630 A CB -0.540 18.390 19.000 -0.117 0.000 0.810 630 A HN 0.116 nan 8.150 nan 0.000 0.445 631 L N -0.867 120.224 121.223 -0.220 0.000 1.976 631 L HA -0.200 4.138 4.340 -0.003 0.000 0.209 631 L C 3.162 179.970 176.870 -0.102 0.000 1.071 631 L CA 1.283 56.025 54.840 -0.164 0.000 0.746 631 L CB -0.695 41.234 42.059 -0.218 0.000 0.890 631 L HN 0.431 nan 8.230 nan 0.000 0.432 632 A N -1.062 121.601 122.820 -0.262 0.000 1.908 632 A HA -0.292 4.026 4.320 -0.003 0.000 0.218 632 A C 2.271 179.851 177.584 -0.008 0.000 1.181 632 A CA 1.783 53.752 52.037 -0.112 0.000 0.627 632 A CB -1.066 17.625 19.000 -0.514 0.000 0.818 632 A HN 0.557 nan 8.150 nan 0.000 0.445 633 H N -0.350 118.623 119.070 -0.163 0.000 2.319 633 H HA -0.220 4.334 4.556 -0.003 0.000 0.297 633 H C 2.203 177.538 175.328 0.012 0.000 1.097 633 H CA 2.313 58.346 56.048 -0.025 0.000 1.285 633 H CB -0.143 29.547 29.762 -0.119 0.000 1.368 633 H HN 0.694 nan 8.280 nan 0.000 0.495 634 Q N 0.342 120.124 119.800 -0.031 0.000 2.016 634 Q HA -0.081 4.257 4.340 -0.003 0.000 0.200 634 Q C 2.700 178.601 176.000 -0.166 0.000 0.978 634 Q CA 1.699 57.395 55.803 -0.179 0.000 0.833 634 Q CB -0.029 28.646 28.738 -0.105 0.000 0.895 634 Q HN 0.530 nan 8.270 nan 0.000 0.427 635 I N 0.434 120.982 120.570 -0.036 0.000 2.151 635 I HA -0.281 3.887 4.170 -0.003 0.000 0.243 635 I C 2.209 178.356 176.117 0.050 0.000 1.080 635 I CA 1.258 62.566 61.300 0.012 0.000 1.339 635 I CB -0.426 37.628 38.000 0.089 0.000 1.039 635 I HN 0.315 nan 8.210 nan 0.000 0.409 636 F N 1.679 121.609 119.950 -0.034 0.000 2.095 636 F HA -0.287 4.238 4.527 -0.003 0.000 0.298 636 F C 2.533 178.302 175.800 -0.051 0.000 1.104 636 F CA 2.002 59.990 58.000 -0.019 0.000 1.232 636 F CB -0.789 38.226 39.000 0.024 0.000 0.987 636 F HN 0.101 nan 8.300 nan 0.000 0.475 637 H N 0.156 118.921 119.070 -0.508 0.000 2.387 637 H HA -0.082 4.472 4.556 -0.003 0.000 0.299 637 H C 2.258 177.302 175.328 -0.475 0.000 1.099 637 H CA 1.849 57.544 56.048 -0.588 0.000 1.315 637 H CB -0.753 28.778 29.762 -0.384 0.000 1.380 637 H HN 0.302 nan 8.280 nan 0.000 0.513 638 L N -0.390 120.688 121.223 -0.242 0.000 2.450 638 L HA -0.150 4.189 4.340 -0.003 0.000 0.224 638 L C 2.083 178.850 176.870 -0.172 0.000 1.149 638 L CA 1.012 55.736 54.840 -0.193 0.000 0.816 638 L CB -0.362 41.615 42.059 -0.137 0.000 0.932 638 L HN 0.249 nan 8.230 nan 0.000 0.449 639 T N -0.774 113.630 114.554 -0.251 0.000 2.929 639 T HA -0.139 4.209 4.350 -0.003 0.000 0.271 639 T C 1.789 176.323 174.700 -0.278 0.000 1.085 639 T CA 1.089 63.050 62.100 -0.232 0.000 1.125 639 T CB -0.073 68.636 68.868 -0.264 0.000 0.874 639 T HN 0.205 nan 8.240 nan 0.000 0.494 640 R N 0.359 120.597 120.500 -0.435 0.000 2.300 640 R HA 0.350 4.688 4.340 -0.003 0.000 0.199 640 R C 1.375 177.618 176.300 -0.095 0.000 0.920 640 R CA 0.138 55.966 56.100 -0.453 0.000 1.046 640 R CB -0.247 29.571 30.300 -0.804 0.000 0.984 640 R HN 0.324 nan 8.270 nan 0.000 0.493 641 L N 0.396 121.582 121.223 -0.061 0.000 2.660 641 L HA 0.109 4.447 4.340 -0.003 0.000 0.238 641 L C -0.169 176.768 176.870 0.112 0.000 1.161 641 L CA -0.167 54.677 54.840 0.005 0.000 0.937 641 L CB -0.269 41.777 42.059 -0.022 0.000 1.122 641 L HN 0.131 nan 8.230 nan 0.000 0.435 642 Y N 1.686 122.013 120.300 0.045 0.000 2.504 642 Y HA 0.204 4.752 4.550 -0.003 0.000 0.351 642 Y C -1.475 174.461 175.900 0.060 0.000 0.988 642 Y CA -2.954 55.196 58.100 0.084 0.000 1.239 642 Y CB 0.715 39.254 38.460 0.131 0.000 1.128 642 Y HN -0.008 nan 8.280 nan 0.000 0.525 643 P HA -0.270 nan 4.420 nan 0.000 0.217 643 P C 0.571 177.625 177.300 -0.411 0.000 1.162 643 P CA 2.647 65.515 63.100 -0.387 0.000 0.901 643 P CB 0.212 31.691 31.700 -0.368 0.000 0.793 644 A N -1.200 121.212 122.820 -0.679 0.000 2.327 644 A HA 0.155 4.473 4.320 -0.003 0.000 0.228 644 A C 1.940 179.499 177.584 -0.042 0.000 1.275 644 A CA 0.689 52.541 52.037 -0.308 0.000 0.875 644 A CB -1.001 17.860 19.000 -0.232 0.000 0.925 644 A HN 0.304 nan 8.150 nan 0.000 0.493 645 S N -1.185 114.528 115.700 0.022 0.000 2.310 645 S HA 0.360 4.828 4.470 -0.003 0.000 0.205 645 S C 1.895 176.459 174.600 -0.060 0.000 1.020 645 S CA 1.413 59.695 58.200 0.136 0.000 0.939 645 S CB -0.838 62.491 63.200 0.214 0.000 0.919 645 S HN 1.714 nan 8.310 nan 0.000 0.501 646 G N 1.066 109.746 108.800 -0.200 0.000 2.609 646 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.235 646 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.235 646 G C 0.588 175.052 174.900 -0.727 0.000 1.177 646 G CA 0.812 45.610 45.100 -0.503 0.000 0.707 646 G HN 0.656 nan 8.290 nan 0.000 0.513 647 F N 1.959 121.838 119.950 -0.118 0.000 2.706 647 F HA 0.750 5.275 4.527 -0.003 0.000 0.313 647 F C 0.939 176.616 175.800 -0.205 0.000 1.096 647 F CA 0.324 58.252 58.000 -0.120 0.000 1.219 647 F CB 1.185 40.200 39.000 0.026 0.000 1.051 647 F HN 0.827 nan 8.300 nan 0.000 0.568 648 A N -0.310 122.399 122.820 -0.186 0.000 2.585 648 A HA 0.528 4.846 4.320 -0.003 0.000 0.299 648 A C -1.386 176.039 177.584 -0.266 0.000 1.047 648 A CA -0.743 51.123 52.037 -0.285 0.000 0.723 648 A CB -0.077 18.883 19.000 -0.066 0.000 1.275 648 A HN 0.033 nan 8.150 nan 0.000 0.408 649 F N 3.091 123.038 119.950 -0.005 0.000 2.396 649 F HA 0.518 5.044 4.527 -0.003 0.000 0.343 649 F C -1.110 174.635 175.800 -0.092 0.000 1.104 649 F CA -1.379 56.597 58.000 -0.039 0.000 1.161 649 F CB 0.844 39.803 39.000 -0.068 0.000 1.146 649 F HN 0.438 nan 8.300 nan 0.000 0.522 650 P HA 0.106 nan 4.420 nan 0.000 0.273 650 P C 0.189 177.410 177.300 -0.131 0.000 1.250 650 P CA -0.364 62.583 63.100 -0.254 0.000 0.793 650 P CB 1.152 32.393 31.700 -0.764 0.000 1.011 651 R N -0.474 119.938 120.500 -0.146 0.000 2.100 651 R HA 0.065 4.404 4.340 -0.003 0.000 0.220 651 R C 0.588 176.863 176.300 -0.042 0.000 1.091 651 R CA 0.524 56.596 56.100 -0.047 0.000 0.986 651 R CB -0.256 30.029 30.300 -0.026 0.000 0.888 651 R HN 0.283 nan 8.270 nan 0.000 0.444 652 L N 1.507 122.675 121.223 -0.092 0.000 2.379 652 L HA 0.370 4.708 4.340 -0.003 0.000 0.269 652 L C -2.165 174.684 176.870 -0.035 0.000 1.084 652 L CA -2.404 52.415 54.840 -0.036 0.000 0.802 652 L CB 1.052 43.115 42.059 0.006 0.000 1.175 652 L HN -0.007 nan 8.230 nan 0.000 0.448 653 P HA 0.047 nan 4.420 nan 0.000 0.265 653 P C 0.098 177.429 177.300 0.052 0.000 1.193 653 P CA 0.058 63.161 63.100 0.006 0.000 0.765 653 P CB 0.593 32.298 31.700 0.009 0.000 0.823 654 A N 6.260 129.121 122.820 0.068 0.000 1.929 654 A HA -0.216 4.102 4.320 -0.003 0.000 0.221 654 A C -0.433 177.259 177.584 0.179 0.000 1.211 654 A CA 2.251 54.393 52.037 0.176 0.000 0.657 654 A CB -2.564 16.534 19.000 0.164 0.000 0.827 654 A HN 0.497 nan 8.150 nan 0.000 0.462 655 P HA -0.139 nan 4.420 nan 0.000 0.215 655 P C 1.613 178.961 177.300 0.080 0.000 1.157 655 P CA 0.965 64.114 63.100 0.082 0.000 0.868 655 P CB -0.114 31.606 31.700 0.034 0.000 0.788 656 L N -2.069 119.204 121.223 0.084 0.000 2.027 656 L HA -0.187 4.151 4.340 -0.003 0.000 0.206 656 L C 2.612 179.534 176.870 0.087 0.000 1.074 656 L CA 1.578 56.468 54.840 0.083 0.000 0.745 656 L CB -1.013 41.094 42.059 0.081 0.000 0.898 656 L HN 0.063 nan 8.230 nan 0.000 0.433 657 H N -0.015 119.047 119.070 -0.013 0.000 2.456 657 H HA -0.128 4.427 4.556 -0.003 0.000 0.296 657 H C 2.093 177.426 175.328 0.008 0.000 1.079 657 H CA 1.439 57.442 56.048 -0.075 0.000 1.322 657 H CB 0.083 29.710 29.762 -0.225 0.000 1.388 657 H HN 0.159 nan 8.280 nan 0.000 0.538 658 L N -0.840 120.449 121.223 0.111 0.000 2.023 658 L HA -0.043 4.296 4.340 -0.003 0.000 0.205 658 L C 2.773 179.641 176.870 -0.005 0.000 1.073 658 L CA 0.951 55.918 54.840 0.212 0.000 0.745 658 L CB -0.602 41.665 42.059 0.347 0.000 0.900 658 L HN 0.366 nan 8.230 nan 0.000 0.435 659 A N -0.110 122.682 122.820 -0.047 0.000 1.940 659 A HA -0.276 4.042 4.320 -0.003 0.000 0.219 659 A C 1.828 179.316 177.584 -0.159 0.000 1.176 659 A CA 2.233 54.188 52.037 -0.135 0.000 0.631 659 A CB -0.677 18.304 19.000 -0.032 0.000 0.814 659 A HN 0.384 nan 8.150 nan 0.000 0.446 660 D N -0.638 119.695 120.400 -0.111 0.000 2.123 660 D HA -0.128 4.510 4.640 -0.003 0.000 0.196 660 D C 2.112 178.317 176.300 -0.159 0.000 0.992 660 D CA 1.303 55.233 54.000 -0.116 0.000 0.833 660 D CB -0.195 40.544 40.800 -0.101 0.000 0.954 660 D HN 0.479 nan 8.370 nan 0.000 0.455 661 R N -0.467 119.920 120.500 -0.189 0.000 2.276 661 R HA 0.114 4.452 4.340 -0.003 0.000 0.196 661 R C 1.663 177.839 176.300 -0.207 0.000 0.961 661 R CA 0.050 56.073 56.100 -0.128 0.000 1.024 661 R CB 0.109 30.387 30.300 -0.036 0.000 0.940 661 R HN 0.162 nan 8.270 nan 0.000 0.480 662 L N -0.107 120.790 121.223 -0.545 0.000 2.307 662 L HA 0.052 4.391 4.340 -0.003 0.000 0.211 662 L C 1.667 178.266 176.870 -0.451 0.000 1.099 662 L CA 1.219 55.467 54.840 -0.986 0.000 0.816 662 L CB 0.263 41.332 42.059 -1.651 0.000 0.952 662 L HN -0.175 nan 8.230 nan 0.000 0.455 663 V N 0.371 120.117 119.914 -0.279 0.000 2.871 663 V HA -0.088 4.030 4.120 -0.003 0.000 0.256 663 V C 2.836 178.867 176.094 -0.104 0.000 1.082 663 V CA 1.687 63.899 62.300 -0.146 0.000 1.105 663 V CB -0.769 30.995 31.823 -0.098 0.000 0.713 663 V HN 0.592 nan 8.190 nan 0.000 0.473 664 K N -0.743 119.590 120.400 -0.113 0.000 2.365 664 K HA -0.019 4.299 4.320 -0.003 0.000 0.197 664 K C 1.861 178.439 176.600 -0.037 0.000 1.042 664 K CA 0.815 57.060 56.287 -0.071 0.000 0.987 664 K CB -0.100 32.355 32.500 -0.075 0.000 0.779 664 K HN 0.452 nan 8.250 nan 0.000 0.484 665 E N -0.052 120.120 120.200 -0.048 0.000 2.057 665 E HA 0.057 4.405 4.350 -0.003 0.000 0.190 665 E C 2.513 179.147 176.600 0.056 0.000 0.969 665 E CA 1.259 57.675 56.400 0.026 0.000 0.812 665 E CB -0.471 29.255 29.700 0.043 0.000 0.777 665 E HN 0.324 nan 8.360 nan 0.000 0.455 666 V N 1.541 121.466 119.914 0.019 0.000 2.453 666 V HA -0.211 3.907 4.120 -0.003 0.000 0.252 666 V C 2.311 178.428 176.094 0.038 0.000 1.068 666 V CA 2.810 65.133 62.300 0.039 0.000 1.070 666 V CB -1.324 30.504 31.823 0.008 0.000 0.664 666 V HN 0.250 nan 8.190 nan 0.000 0.461 667 G N 0.902 109.715 108.800 0.022 0.000 2.480 667 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.216 667 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.216 667 G C 1.596 176.536 174.900 0.066 0.000 1.200 667 G CA 0.950 46.067 45.100 0.029 0.000 0.782 667 G HN 0.789 nan 8.290 nan 0.000 0.554 668 R N 0.018 120.576 120.500 0.096 0.000 2.391 668 R HA 0.447 4.786 4.340 -0.003 0.000 0.249 668 R C 1.201 177.587 176.300 0.143 0.000 0.957 668 R CA 0.028 56.228 56.100 0.166 0.000 1.093 668 R CB -0.106 30.357 30.300 0.272 0.000 1.156 668 R HN 0.367 nan 8.270 nan 0.000 0.526 669 L N -0.501 120.783 121.223 0.102 0.000 2.588 669 L HA 0.380 4.718 4.340 -0.003 0.000 0.194 669 L C 0.376 177.277 176.870 0.052 0.000 1.070 669 L CA 0.719 55.610 54.840 0.085 0.000 0.852 669 L CB 0.634 42.754 42.059 0.102 0.000 1.199 669 L HN 0.512 nan 8.230 nan 0.000 0.486 670 G N 1.022 109.849 108.800 0.046 0.000 2.951 670 G HA2 -0.098 3.860 3.960 -0.003 0.000 0.508 670 G HA3 -0.098 3.860 3.960 -0.003 0.000 0.508 670 G C 0.173 175.085 174.900 0.020 0.000 1.203 670 G CA -0.087 45.030 45.100 0.028 0.000 1.209 670 G HN 0.238 nan 8.290 nan 0.000 0.552 671 I N 0.867 121.453 120.570 0.027 0.000 2.399 671 I HA -0.003 4.165 4.170 -0.003 0.000 0.254 671 I C 2.583 178.709 176.117 0.016 0.000 1.146 671 I CA 2.811 64.128 61.300 0.028 0.000 1.412 671 I CB -0.656 37.369 38.000 0.043 0.000 1.076 671 I HN 0.867 nan 8.210 nan 0.000 0.432 672 R N 0.344 120.851 120.500 0.013 0.000 2.103 672 R HA -0.228 4.110 4.340 -0.003 0.000 0.234 672 R C 2.578 178.874 176.300 -0.006 0.000 1.132 672 R CA 3.148 59.253 56.100 0.008 0.000 0.925 672 R CB -2.774 27.530 30.300 0.007 0.000 0.842 672 R HN 0.818 nan 8.270 nan 0.000 0.430 673 H N 0.804 119.863 119.070 -0.018 0.000 2.538 673 H HA 0.256 4.811 4.556 -0.003 0.000 0.294 673 H C 1.754 177.036 175.328 -0.077 0.000 1.083 673 H CA 1.188 57.212 56.048 -0.039 0.000 1.233 673 H CB -0.784 28.955 29.762 -0.040 0.000 1.360 673 H HN 0.453 nan 8.280 nan 0.000 0.571 674 L N 1.198 122.373 121.223 -0.079 0.000 2.922 674 L HA 0.192 4.530 4.340 -0.003 0.000 0.244 674 L C 2.160 179.025 176.870 -0.008 0.000 1.324 674 L CA 0.271 55.042 54.840 -0.114 0.000 1.172 674 L CB -1.075 40.929 42.059 -0.092 0.000 1.545 674 L HN 0.693 nan 8.230 nan 0.000 0.438 675 K N 1.072 121.461 120.400 -0.018 0.000 1.983 675 K HA -0.138 4.180 4.320 -0.003 0.000 0.225 675 K C 2.080 178.698 176.600 0.029 0.000 1.030 675 K CA 1.879 58.171 56.287 0.008 0.000 1.027 675 K CB -1.037 31.460 32.500 -0.005 0.000 0.757 675 K HN 0.443 nan 8.250 nan 0.000 0.444 676 E N 0.234 120.443 120.200 0.016 0.000 2.435 676 E HA 0.303 4.652 4.350 -0.003 0.000 0.195 676 E C 1.018 177.651 176.600 0.055 0.000 1.029 676 E CA 0.403 56.820 56.400 0.028 0.000 0.865 676 E CB -0.665 29.043 29.700 0.013 0.000 0.833 676 E HN 0.444 nan 8.360 nan 0.000 0.510 677 V N 3.247 123.193 119.914 0.054 0.000 2.699 677 V HA -0.069 4.049 4.120 -0.003 0.000 0.296 677 V C 0.492 176.734 176.094 0.246 0.000 1.030 677 V CA 0.509 62.877 62.300 0.112 0.000 1.219 677 V CB -0.472 31.349 31.823 -0.002 0.000 0.848 677 V HN 0.604 nan 8.190 nan 0.000 0.468 678 D N 5.506 126.018 120.400 0.186 0.000 2.533 678 D HA -0.053 4.586 4.640 -0.003 0.000 0.236 678 D C 1.308 177.727 176.300 0.198 0.000 1.137 678 D CA 0.182 54.261 54.000 0.132 0.000 0.867 678 D CB 0.556 41.415 40.800 0.100 0.000 1.170 678 D HN 0.485 nan 8.370 nan 0.000 0.474 679 R N 2.902 123.310 120.500 -0.154 0.000 2.346 679 R HA -0.062 4.276 4.340 -0.003 0.000 0.199 679 R C 0.901 176.886 176.300 -0.526 0.000 1.015 679 R CA 0.372 55.968 56.100 -0.839 0.000 1.058 679 R CB 0.066 29.782 30.300 -0.974 0.000 0.921 679 R HN 0.595 nan 8.270 nan 0.000 0.475 680 E N 1.080 121.249 120.200 -0.052 0.000 2.538 680 E HA 0.054 4.403 4.350 -0.003 0.000 0.207 680 E C -0.339 176.368 176.600 0.179 0.000 1.002 680 E CA 0.019 56.446 56.400 0.046 0.000 0.952 680 E CB 0.635 30.336 29.700 0.001 0.000 1.031 680 E HN 0.096 nan 8.360 nan 0.000 0.476 681 K N 1.582 122.183 120.400 0.333 0.000 2.414 681 K HA 0.307 4.626 4.320 -0.003 0.000 0.251 681 K C -0.069 176.741 176.600 0.350 0.000 1.037 681 K CA -0.473 55.980 56.287 0.277 0.000 0.980 681 K CB -0.187 32.457 32.500 0.240 0.000 1.280 681 K HN 0.160 nan 8.250 nan 0.000 0.451 682 L N 4.064 125.330 121.223 0.071 0.000 2.752 682 L HA 0.078 4.417 4.340 -0.003 0.000 0.251 682 L C 1.497 177.961 176.870 -0.676 0.000 1.436 682 L CA -0.116 54.451 54.840 -0.456 0.000 1.181 682 L CB -1.461 40.248 42.059 -0.583 0.000 1.414 682 L HN 0.879 nan 8.230 nan 0.000 0.448 683 F N 0.063 119.809 119.950 -0.339 0.000 2.307 683 F HA -0.221 4.304 4.527 -0.003 0.000 0.301 683 F C 1.861 177.533 175.800 -0.213 0.000 1.076 683 F CA 0.708 58.584 58.000 -0.206 0.000 1.383 683 F CB -1.018 37.935 39.000 -0.078 0.000 1.055 683 F HN 0.259 nan 8.300 nan 0.000 0.526 684 F N 1.343 120.695 119.950 -0.996 0.000 2.512 684 F HA 0.267 4.792 4.527 -0.003 0.000 0.296 684 F C 1.177 176.806 175.800 -0.285 0.000 1.110 684 F CA -0.819 56.783 58.000 -0.663 0.000 1.446 684 F CB -1.771 36.673 39.000 -0.928 0.000 1.092 684 F HN -0.030 nan 8.300 nan 0.000 0.554 685 V N 0.000 119.567 119.914 -0.578 0.000 2.409 685 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 685 V CA 0.000 62.161 62.300 -0.231 0.000 1.235 685 V CB 0.000 31.617 31.823 -0.344 0.000 1.184 685 V HN 0.000 nan 8.190 nan 0.000 0.556