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 3mkq_1_A DATA FIRST_RESID 2 DATA SEQUENCE KLDIKKTFSN RSDRVKGIDF HPTEPWVLTT LYSGRVEIWN YETQVEVRSI DATA SEQUENCE QVTETPVRAG KFIARKNWII VGSDDFRIRV FNYNTGEKVV DFEAHPDYIR DATA SEQUENCE SIAVHPTKPY VLSGSDDLTV KLWNWENNWA LEQTFEGHEH FVMCVAFNPK DATA SEQUENCE DPSTFASGCL DRTVKVWSLG QSTPNFTLTT GQERGVNYVD YYPLPDKPYM DATA SEQUENCE ITASDDLTIK IWDYQTKSCV ATLEGHMSNV SFAVFHPTLP IIISGSEDGT DATA SEQUENCE LKIWNSSTYK VEKTLNVGLE RSWCIATHPT GRKNYIASGF DNGFTVLSLG DATA SEQUENCE NDEPTLSLDP VGKLVWSGGK NAAASDIFTA VIRGNEEVEQ DEPLSLQTKE DATA SEQUENCE LGSVDVFPQS LAHSPNGRFV TVVGDGEYVI YTALAWRNKA FGKCQDFVWG DATA SEQUENCE PDSNSYALID ETGQIKYYKN FKEVTSWSVP MHSAIDRLFS GALLGVKSDG DATA SEQUENCE FVYFFDWDNG TLVRRIDVNA KDVIWSDNGE LVMIVNTNSN GDEASGYTLL DATA SEQUENCE FNKDAYLEAA NNGNIDDSEG VDEAFDVLYE LSESITSGKW VGDVFIFTTA DATA SEQUENCE TNRLNYFVGG KTYNLAHYTK EMYLLGYLAR DNKVYLADRE VHVYGYEISL DATA SEQUENCE EVLEFQTLTL RGEIEEAIEN VLPNVEGKDS LTKIARFLEG QEYYEEALNI DATA SEQUENCE SPDQDQKFEL ALKVGQLTLA RDLLTDESAE MKWRALGDAS LQRFNFKLAI DATA SEQUENCE EAFTNAHDLE SLFLLHSSFN NKEGLVTLAK DAETTGKFNL AFNAYWIAGD DATA SEQUENCE IQGAKDLLIK SQRFSEAAFL GSTYGLGDNE VNDIVTKWKE NLILNGKNTV DATA SEQUENCE SERVCGAEGL P 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.631 176.600 0.051 0.000 0.988 2 K CA 0.000 56.327 56.287 0.067 0.000 0.838 2 K CB 0.000 32.573 32.500 0.122 0.000 1.064 3 L N 2.001 123.237 121.223 0.023 0.000 2.319 3 L HA 0.360 4.700 4.340 -0.000 0.000 0.281 3 L C 0.108 176.999 176.870 0.035 0.000 1.005 3 L CA -0.758 54.090 54.840 0.014 0.000 0.828 3 L CB 1.532 43.585 42.059 -0.011 0.000 1.227 3 L HN 0.490 nan 8.230 nan 0.000 0.415 4 D N 4.009 124.439 120.400 0.050 0.000 3.085 4 D HA 0.116 4.756 4.640 -0.000 0.000 0.243 4 D C 0.476 176.811 176.300 0.059 0.000 1.232 4 D CA -0.280 53.754 54.000 0.055 0.000 0.913 4 D CB 0.208 41.046 40.800 0.064 0.000 1.108 4 D HN 0.214 nan 8.370 nan 0.000 0.468 5 I N 1.583 122.186 120.570 0.055 0.000 2.828 5 I HA -0.119 4.051 4.170 -0.000 0.000 0.292 5 I C 0.851 177.015 176.117 0.078 0.000 1.206 5 I CA 0.926 62.268 61.300 0.070 0.000 1.420 5 I CB -0.300 37.735 38.000 0.059 0.000 1.368 5 I HN -0.084 nan 8.210 nan 0.000 0.556 6 K N 5.580 126.043 120.400 0.105 0.000 2.443 6 K HA 0.309 4.629 4.320 -0.000 0.000 0.252 6 K C -0.379 176.307 176.600 0.143 0.000 0.933 6 K CA -0.983 55.372 56.287 0.114 0.000 0.792 6 K CB 2.572 35.145 32.500 0.121 0.000 1.185 6 K HN 0.335 nan 8.250 nan 0.000 0.425 7 K N 2.218 122.689 120.400 0.117 0.000 2.171 7 K HA 0.010 4.330 4.320 -0.000 0.000 0.274 7 K C 1.007 177.705 176.600 0.164 0.000 1.110 7 K CA 0.103 56.460 56.287 0.117 0.000 0.952 7 K CB 0.489 33.025 32.500 0.060 0.000 1.309 7 K HN 0.649 nan 8.250 nan 0.000 0.414 8 T N 3.694 118.387 114.554 0.232 0.000 2.857 8 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 8 T C -0.013 174.897 174.700 0.351 0.000 1.048 8 T CA 0.710 62.990 62.100 0.300 0.000 1.139 8 T CB -0.137 68.983 68.868 0.420 0.000 0.874 8 T HN 0.540 nan 8.240 nan 0.000 0.455 9 F N 0.116 120.112 119.950 0.077 0.000 2.672 9 F HA 0.488 5.015 4.527 -0.000 0.000 0.311 9 F C -1.404 174.309 175.800 -0.145 0.000 1.113 9 F CA -1.040 56.964 58.000 0.007 0.000 0.996 9 F CB 1.424 40.486 39.000 0.103 0.000 1.286 9 F HN -0.009 nan 8.300 nan 0.000 0.441 10 S N 3.812 119.108 115.700 -0.674 0.000 2.549 10 S HA 0.634 5.104 4.470 -0.000 0.000 0.280 10 S C -1.924 171.838 174.600 -1.397 0.000 1.109 10 S CA -0.549 57.074 58.200 -0.962 0.000 0.905 10 S CB 1.840 64.763 63.200 -0.461 0.000 1.081 10 S HN 0.774 nan 8.310 nan 0.000 0.477 11 N N 1.669 119.488 118.700 -1.468 0.000 2.324 11 N HA 0.408 5.148 4.740 -0.000 0.000 0.285 11 N C -1.479 173.607 175.510 -0.705 0.000 1.076 11 N CA -0.574 51.753 53.050 -1.206 0.000 0.864 11 N CB 1.263 38.682 38.487 -1.780 0.000 1.632 11 N HN 0.481 nan 8.380 nan 0.000 0.478 12 R N 1.543 121.815 120.500 -0.381 0.000 2.349 12 R HA 0.636 4.976 4.340 -0.000 0.000 0.299 12 R C -0.562 175.691 176.300 -0.078 0.000 1.027 12 R CA -0.290 55.696 56.100 -0.190 0.000 0.958 12 R CB 1.007 31.234 30.300 -0.123 0.000 1.047 12 R HN 0.897 nan 8.270 nan 0.000 0.468 13 S N 0.536 116.231 115.700 -0.008 0.000 2.669 13 S HA 0.199 4.669 4.470 -0.000 0.000 0.266 13 S C -1.288 173.360 174.600 0.080 0.000 1.149 13 S CA -1.117 57.121 58.200 0.063 0.000 0.842 13 S CB 1.079 64.352 63.200 0.122 0.000 1.160 13 S HN 0.403 nan 8.310 nan 0.000 0.487 14 D N 0.946 121.402 120.400 0.092 0.000 2.368 14 D HA 0.188 4.828 4.640 -0.000 0.000 0.240 14 D C 0.568 176.939 176.300 0.119 0.000 1.169 14 D CA -0.018 54.038 54.000 0.092 0.000 0.906 14 D CB 0.320 41.173 40.800 0.089 0.000 1.187 14 D HN 0.582 nan 8.370 nan 0.000 0.435 15 R N 0.757 121.323 120.500 0.111 0.000 2.486 15 R HA -0.020 4.320 4.340 -0.000 0.000 0.304 15 R C -0.442 175.941 176.300 0.137 0.000 0.913 15 R CA 0.068 56.247 56.100 0.131 0.000 1.124 15 R CB 0.010 30.310 30.300 0.001 0.000 0.891 15 R HN 0.231 nan 8.270 nan 0.000 0.410 16 V N 5.178 125.201 119.914 0.182 0.000 2.383 16 V HA 0.279 4.399 4.120 -0.000 0.000 0.275 16 V C 0.220 176.382 176.094 0.114 0.000 1.036 16 V CA -0.445 61.934 62.300 0.131 0.000 0.889 16 V CB 1.652 33.561 31.823 0.143 0.000 0.985 16 V HN 0.858 nan 8.190 nan 0.000 0.459 17 K N 4.833 125.260 120.400 0.044 0.000 2.323 17 K HA 0.346 4.666 4.320 -0.000 0.000 0.197 17 K C 0.739 177.366 176.600 0.045 0.000 1.043 17 K CA 0.945 57.248 56.287 0.026 0.000 0.997 17 K CB 0.816 33.298 32.500 -0.031 0.000 0.807 17 K HN 0.860 nan 8.250 nan 0.000 0.497 18 G N 0.726 109.530 108.800 0.007 0.000 2.571 18 G HA2 0.699 4.659 3.960 -0.000 0.000 0.304 18 G HA3 0.699 4.659 3.960 -0.000 0.000 0.304 18 G C -1.503 173.361 174.900 -0.060 0.000 1.314 18 G CA -0.418 44.678 45.100 -0.008 0.000 0.975 18 G HN 0.057 nan 8.290 nan 0.000 0.485 19 I N 0.441 120.970 120.570 -0.068 0.000 2.775 19 I HA 0.599 4.769 4.170 -0.000 0.000 0.295 19 I C -2.204 173.868 176.117 -0.076 0.000 1.287 19 I CA -0.650 60.568 61.300 -0.137 0.000 1.029 19 I CB 2.754 40.645 38.000 -0.182 0.000 1.282 19 I HN 0.560 nan 8.210 nan 0.000 0.426 20 D N 4.400 124.755 120.400 -0.075 0.000 2.717 20 D HA 0.429 5.069 4.640 -0.000 0.000 0.223 20 D C -1.742 174.709 176.300 0.252 0.000 1.240 20 D CA -0.147 53.920 54.000 0.112 0.000 0.801 20 D CB 1.694 42.587 40.800 0.155 0.000 1.556 20 D HN 0.190 nan 8.370 nan 0.000 0.462 21 F N 1.444 121.590 119.950 0.328 0.000 2.399 21 F HA 0.337 4.864 4.527 -0.000 0.000 0.334 21 F C 0.623 176.562 175.800 0.231 0.000 1.097 21 F CA -0.614 57.586 58.000 0.334 0.000 1.076 21 F CB 1.255 40.361 39.000 0.176 0.000 1.162 21 F HN 0.361 nan 8.300 nan 0.000 0.495 22 H N 4.021 123.145 119.070 0.090 0.000 2.582 22 H HA 0.216 4.772 4.556 -0.000 0.000 0.345 22 H C -1.869 173.361 175.328 -0.164 0.000 1.104 22 H CA -1.523 54.220 56.048 -0.508 0.000 1.390 22 H CB 1.358 30.582 29.762 -0.897 0.000 1.461 22 H HN 0.256 nan 8.280 nan 0.000 0.551 23 P HA -0.086 nan 4.420 nan 0.000 0.219 23 P C 0.641 177.971 177.300 0.050 0.000 1.150 23 P CA 1.761 64.745 63.100 -0.193 0.000 0.814 23 P CB 0.450 32.014 31.700 -0.226 0.000 0.787 24 T N -6.494 108.145 114.554 0.141 0.000 3.016 24 T HA 0.259 4.609 4.350 -0.000 0.000 0.271 24 T C 0.365 175.044 174.700 -0.035 0.000 0.968 24 T CA -0.128 62.033 62.100 0.103 0.000 0.891 24 T CB 0.094 68.986 68.868 0.039 0.000 1.149 24 T HN -0.155 nan 8.240 nan 0.000 0.524 25 E N 2.167 122.267 120.200 -0.166 0.000 2.221 25 E HA 0.514 4.864 4.350 -0.000 0.000 0.268 25 E C -2.792 173.527 176.600 -0.468 0.000 0.933 25 E CA -2.769 53.167 56.400 -0.773 0.000 0.809 25 E CB 2.007 30.414 29.700 -2.155 0.000 1.190 25 E HN -0.086 nan 8.360 nan 0.000 0.406 26 P HA 0.125 nan 4.420 nan 0.000 0.237 26 P C -1.163 175.866 177.300 -0.452 0.000 1.723 26 P CA -0.020 62.839 63.100 -0.402 0.000 0.882 26 P CB -0.154 31.316 31.700 -0.383 0.000 1.810 27 W N -0.340 120.875 121.300 -0.142 0.000 2.639 27 W HA 0.605 5.265 4.660 -0.000 0.000 0.347 27 W C -0.368 176.438 176.519 0.478 0.000 1.067 27 W CA -1.208 56.178 57.345 0.069 0.000 1.218 27 W CB 0.946 30.362 29.460 -0.074 0.000 1.393 27 W HN -0.330 nan 8.180 nan 0.000 0.557 28 V N 4.360 124.693 119.914 0.698 0.000 2.709 28 V HA 0.587 4.707 4.120 -0.000 0.000 0.308 28 V C -1.349 174.899 176.094 0.256 0.000 1.062 28 V CA -0.990 61.502 62.300 0.321 0.000 0.901 28 V CB 1.896 33.680 31.823 -0.066 0.000 1.003 28 V HN 0.414 nan 8.190 nan 0.000 0.425 29 L N 6.225 127.525 121.223 0.129 0.000 2.322 29 L HA 0.954 5.294 4.340 -0.000 0.000 0.279 29 L C -0.060 176.676 176.870 -0.224 0.000 1.036 29 L CA 0.525 55.288 54.840 -0.128 0.000 0.807 29 L CB 2.163 43.896 42.059 -0.542 0.000 1.226 29 L HN 0.901 nan 8.230 nan 0.000 0.433 30 T N -0.087 114.346 114.554 -0.202 0.000 2.921 30 T HA 0.655 5.005 4.350 -0.000 0.000 0.297 30 T C -0.387 174.246 174.700 -0.111 0.000 1.013 30 T CA -0.315 61.662 62.100 -0.204 0.000 0.990 30 T CB 1.310 70.000 68.868 -0.296 0.000 1.023 30 T HN 0.805 nan 8.240 nan 0.000 0.447 31 T N 1.933 116.435 114.554 -0.087 0.000 2.797 31 T HA 0.730 5.080 4.350 -0.000 0.000 0.279 31 T C -0.145 174.535 174.700 -0.033 0.000 0.991 31 T CA -0.929 61.129 62.100 -0.070 0.000 0.979 31 T CB 0.649 69.469 68.868 -0.080 0.000 0.943 31 T HN 0.669 nan 8.240 nan 0.000 0.444 32 L N 2.164 123.372 121.223 -0.026 0.000 2.332 32 L HA 0.457 4.796 4.340 -0.000 0.000 0.269 32 L C 1.058 177.922 176.870 -0.009 0.000 1.016 32 L CA -1.374 53.477 54.840 0.018 0.000 0.809 32 L CB 0.884 42.972 42.059 0.048 0.000 1.280 32 L HN 0.642 nan 8.230 nan 0.000 0.447 33 Y N 0.887 121.136 120.300 -0.086 0.000 2.293 33 Y HA -0.234 4.316 4.550 -0.000 0.000 0.291 33 Y C 2.660 178.501 175.900 -0.098 0.000 1.137 33 Y CA 1.861 59.889 58.100 -0.119 0.000 1.202 33 Y CB 0.178 38.562 38.460 -0.127 0.000 0.990 33 Y HN 0.762 nan 8.280 nan 0.000 0.537 34 S N -1.529 114.194 115.700 0.038 0.000 2.481 34 S HA 0.103 4.573 4.470 -0.000 0.000 0.231 34 S C 1.805 176.354 174.600 -0.085 0.000 0.996 34 S CA 0.796 58.991 58.200 -0.008 0.000 0.942 34 S CB -0.390 62.825 63.200 0.026 0.000 0.768 34 S HN 0.731 nan 8.310 nan 0.000 0.520 35 G N 0.757 109.490 108.800 -0.112 0.000 2.184 35 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.206 35 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.206 35 G C -0.003 174.835 174.900 -0.102 0.000 0.995 35 G CA -0.105 44.917 45.100 -0.130 0.000 0.651 35 G HN 0.701 nan 8.290 nan 0.000 0.511 36 R N 0.188 120.643 120.500 -0.076 0.000 2.598 36 R HA 0.732 5.072 4.340 -0.000 0.000 0.279 36 R C 0.120 176.371 176.300 -0.081 0.000 0.984 36 R CA -0.070 55.982 56.100 -0.079 0.000 0.999 36 R CB 1.773 32.046 30.300 -0.046 0.000 1.114 36 R HN 0.637 nan 8.270 nan 0.000 0.493 37 V N -0.518 119.322 119.914 -0.124 0.000 2.680 37 V HA 0.659 4.779 4.120 -0.000 0.000 0.309 37 V C -0.962 175.061 176.094 -0.119 0.000 1.052 37 V CA -0.747 61.477 62.300 -0.127 0.000 0.908 37 V CB 1.904 33.618 31.823 -0.182 0.000 1.001 37 V HN 0.885 nan 8.190 nan 0.000 0.431 38 E N 3.631 123.794 120.200 -0.061 0.000 2.343 38 E HA 0.708 5.058 4.350 -0.000 0.000 0.270 38 E C -1.435 175.150 176.600 -0.025 0.000 0.895 38 E CA -0.852 55.529 56.400 -0.031 0.000 0.767 38 E CB 3.216 33.041 29.700 0.208 0.000 1.248 38 E HN 0.706 nan 8.360 nan 0.000 0.440 39 I N 1.453 121.940 120.570 -0.139 0.000 2.498 39 I HA 0.419 4.589 4.170 -0.000 0.000 0.290 39 I C -1.336 174.670 176.117 -0.184 0.000 1.032 39 I CA -0.673 60.564 61.300 -0.105 0.000 1.073 39 I CB 1.141 38.976 38.000 -0.274 0.000 1.251 39 I HN 0.407 nan 8.210 nan 0.000 0.426 40 W N 3.954 125.243 121.300 -0.018 0.000 2.883 40 W HA 0.343 5.003 4.660 -0.000 0.000 0.335 40 W C -0.022 176.548 176.519 0.085 0.000 1.083 40 W CA -0.573 56.827 57.345 0.091 0.000 1.233 40 W CB 1.406 31.149 29.460 0.471 0.000 1.412 40 W HN 0.367 nan 8.180 nan 0.000 0.490 41 N N 2.323 121.143 118.700 0.201 0.000 2.555 41 N HA 0.026 4.766 4.740 -0.000 0.000 0.244 41 N C 0.790 176.335 175.510 0.058 0.000 1.114 41 N CA -0.380 52.748 53.050 0.129 0.000 0.963 41 N CB 0.294 38.831 38.487 0.083 0.000 1.276 41 N HN 0.535 nan 8.380 nan 0.000 0.510 42 Y N 1.419 121.894 120.300 0.292 0.000 2.639 42 Y HA 0.074 4.624 4.550 -0.000 0.000 0.297 42 Y C 1.488 177.391 175.900 0.006 0.000 1.151 42 Y CA 0.382 58.607 58.100 0.208 0.000 1.335 42 Y CB -0.231 38.500 38.460 0.452 0.000 0.994 42 Y HN 0.508 nan 8.280 nan 0.000 0.548 43 E N 0.501 120.646 120.200 -0.091 0.000 2.166 43 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 43 E C 1.834 178.416 176.600 -0.029 0.000 0.967 43 E CA 1.236 57.649 56.400 0.022 0.000 0.840 43 E CB 0.152 29.847 29.700 -0.007 0.000 0.795 43 E HN 0.597 nan 8.360 nan 0.000 0.470 44 T N -2.076 112.432 114.554 -0.076 0.000 3.060 44 T HA 0.033 4.383 4.350 -0.000 0.000 0.249 44 T C 0.553 175.176 174.700 -0.128 0.000 1.079 44 T CA -0.097 61.964 62.100 -0.065 0.000 1.013 44 T CB 0.388 69.238 68.868 -0.030 0.000 0.975 44 T HN 0.033 nan 8.240 nan 0.000 0.518 45 Q N -0.513 119.110 119.800 -0.296 0.000 2.460 45 Q HA -0.122 4.218 4.340 -0.000 0.000 0.248 45 Q C -0.573 175.383 176.000 -0.073 0.000 0.847 45 Q CA 0.477 55.968 55.803 -0.520 0.000 1.214 45 Q CB -2.639 25.886 28.738 -0.356 0.000 1.523 45 Q HN 0.556 nan 8.270 nan 0.000 0.602 46 V N 1.249 121.161 119.914 -0.003 0.000 2.398 46 V HA 0.237 4.357 4.120 -0.000 0.000 0.286 46 V C 0.536 176.582 176.094 -0.080 0.000 1.026 46 V CA -0.464 61.839 62.300 0.005 0.000 0.868 46 V CB 1.771 33.565 31.823 -0.048 0.000 0.982 46 V HN 0.191 nan 8.190 nan 0.000 0.443 47 E N 2.877 122.838 120.200 -0.399 0.000 2.344 47 E HA 0.151 4.501 4.350 -0.000 0.000 0.270 47 E C 0.792 177.044 176.600 -0.580 0.000 1.021 47 E CA -0.070 55.757 56.400 -0.956 0.000 0.887 47 E CB 1.693 30.427 29.700 -1.609 0.000 0.997 47 E HN 0.618 nan 8.360 nan 0.000 0.429 48 V N 4.341 123.900 119.914 -0.591 0.000 2.500 48 V HA 0.135 4.255 4.120 -0.000 0.000 0.243 48 V C 0.497 176.336 176.094 -0.425 0.000 1.039 48 V CA 1.608 63.599 62.300 -0.514 0.000 1.053 48 V CB -0.232 31.108 31.823 -0.805 0.000 0.695 48 V HN 0.793 nan 8.190 nan 0.000 0.463 49 R N -0.485 119.745 120.500 -0.450 0.000 2.709 49 R HA 0.569 4.909 4.340 -0.000 0.000 0.270 49 R C -1.613 174.496 176.300 -0.318 0.000 1.038 49 R CA 0.078 55.981 56.100 -0.328 0.000 0.872 49 R CB 1.205 31.361 30.300 -0.240 0.000 1.259 49 R HN 0.125 nan 8.270 nan 0.000 0.473 50 S N 2.147 117.696 115.700 -0.251 0.000 2.538 50 S HA 0.730 5.200 4.470 -0.000 0.000 0.288 50 S C -1.071 173.405 174.600 -0.207 0.000 1.108 50 S CA -0.738 57.336 58.200 -0.210 0.000 0.971 50 S CB 0.976 64.077 63.200 -0.166 0.000 1.041 50 S HN 0.475 nan 8.310 nan 0.000 0.483 51 I N 3.346 123.775 120.570 -0.234 0.000 2.512 51 I HA 0.304 4.474 4.170 -0.000 0.000 0.287 51 I C -0.837 175.147 176.117 -0.223 0.000 1.069 51 I CA -0.706 60.423 61.300 -0.284 0.000 1.056 51 I CB 2.172 39.849 38.000 -0.539 0.000 1.229 51 I HN 0.467 nan 8.210 nan 0.000 0.429 52 Q N 5.024 124.729 119.800 -0.157 0.000 2.423 52 Q HA 0.227 4.567 4.340 -0.000 0.000 0.235 52 Q C 0.091 176.028 176.000 -0.105 0.000 1.100 52 Q CA 0.035 55.771 55.803 -0.112 0.000 0.908 52 Q CB 1.071 29.762 28.738 -0.078 0.000 1.312 52 Q HN 0.628 nan 8.270 nan 0.000 0.497 53 V N 2.360 122.206 119.914 -0.113 0.000 2.591 53 V HA 0.057 4.177 4.120 -0.000 0.000 0.249 53 V C 1.042 177.110 176.094 -0.043 0.000 1.053 53 V CA 1.551 63.824 62.300 -0.045 0.000 1.068 53 V CB -0.161 31.637 31.823 -0.041 0.000 0.689 53 V HN 0.826 nan 8.190 nan 0.000 0.462 54 T N -2.525 111.979 114.554 -0.083 0.000 2.686 54 T HA 0.190 4.540 4.350 -0.000 0.000 0.308 54 T C -0.402 174.230 174.700 -0.115 0.000 1.667 54 T CA -0.447 61.591 62.100 -0.104 0.000 0.987 54 T CB 1.593 70.381 68.868 -0.133 0.000 1.652 54 T HN -0.026 nan 8.240 nan 0.000 0.496 55 E N 1.076 121.203 120.200 -0.123 0.000 2.447 55 E HA 0.154 4.504 4.350 -0.000 0.000 0.195 55 E C 1.149 177.653 176.600 -0.160 0.000 1.028 55 E CA 0.600 56.929 56.400 -0.118 0.000 0.876 55 E CB 0.078 29.721 29.700 -0.096 0.000 0.885 55 E HN 0.800 nan 8.360 nan 0.000 0.500 56 T N 0.138 114.569 114.554 -0.205 0.000 2.849 56 T HA 0.338 4.688 4.350 -0.000 0.000 0.284 56 T C -2.503 171.988 174.700 -0.349 0.000 1.004 56 T CA -1.883 60.044 62.100 -0.288 0.000 1.021 56 T CB 1.627 70.309 68.868 -0.309 0.000 1.013 56 T HN -0.209 nan 8.240 nan 0.000 0.527 57 P HA 0.294 nan 4.420 nan 0.000 0.274 57 P C -0.872 176.201 177.300 -0.378 0.000 1.231 57 P CA -0.508 62.255 63.100 -0.561 0.000 0.790 57 P CB 0.725 31.771 31.700 -1.090 0.000 0.951 58 V N 4.861 124.619 119.914 -0.261 0.000 2.313 58 V HA 0.272 4.392 4.120 -0.000 0.000 0.278 58 V C 1.581 177.589 176.094 -0.143 0.000 1.017 58 V CA -0.231 61.961 62.300 -0.181 0.000 0.823 58 V CB 0.656 32.399 31.823 -0.134 0.000 1.010 58 V HN 0.502 nan 8.190 nan 0.000 0.443 59 R N 2.694 123.115 120.500 -0.131 0.000 2.246 59 R HA 0.452 4.792 4.340 -0.000 0.000 0.199 59 R C 0.669 176.954 176.300 -0.025 0.000 0.984 59 R CA 0.629 56.685 56.100 -0.074 0.000 1.015 59 R CB 0.521 30.780 30.300 -0.068 0.000 0.930 59 R HN 0.687 nan 8.270 nan 0.000 0.475 60 A N 0.488 123.288 122.820 -0.033 0.000 2.414 60 A HA 0.775 5.095 4.320 -0.000 0.000 0.306 60 A C -0.689 176.881 177.584 -0.023 0.000 1.054 60 A CA -0.663 51.372 52.037 -0.004 0.000 0.724 60 A CB 2.012 21.021 19.000 0.015 0.000 1.267 60 A HN 0.187 nan 8.150 nan 0.000 0.418 61 G N 1.454 110.247 108.800 -0.012 0.000 2.768 61 G HA2 0.585 4.545 3.960 -0.000 0.000 0.297 61 G HA3 0.585 4.545 3.960 -0.000 0.000 0.297 61 G C -1.700 173.184 174.900 -0.026 0.000 1.430 61 G CA -0.574 44.501 45.100 -0.043 0.000 1.030 61 G HN 0.536 nan 8.290 nan 0.000 0.553 62 K N 0.797 121.190 120.400 -0.013 0.000 2.512 62 K HA 0.511 4.831 4.320 -0.000 0.000 0.263 62 K C -1.378 175.252 176.600 0.051 0.000 0.966 62 K CA -0.738 55.582 56.287 0.055 0.000 0.851 62 K CB 2.405 35.003 32.500 0.164 0.000 1.395 62 K HN 0.405 nan 8.250 nan 0.000 0.440 63 F N 1.247 121.314 119.950 0.194 0.000 2.379 63 F HA 0.438 4.965 4.527 -0.000 0.000 0.332 63 F C 0.998 176.922 175.800 0.207 0.000 1.096 63 F CA -0.532 57.612 58.000 0.239 0.000 1.105 63 F CB 0.872 39.987 39.000 0.191 0.000 1.189 63 F HN 0.194 nan 8.300 nan 0.000 0.515 64 I N 3.617 124.466 120.570 0.465 0.000 2.833 64 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 64 I C 0.831 177.067 176.117 0.197 0.000 1.287 64 I CA -0.223 61.226 61.300 0.247 0.000 1.046 64 I CB 0.852 38.935 38.000 0.139 0.000 1.612 64 I HN 0.811 nan 8.210 nan 0.000 0.585 65 A N 3.764 126.685 122.820 0.169 0.000 1.884 65 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 65 A C 2.309 179.910 177.584 0.029 0.000 1.197 65 A CA 1.924 54.012 52.037 0.086 0.000 0.637 65 A CB -0.395 18.456 19.000 -0.249 0.000 0.827 65 A HN 0.618 nan 8.150 nan 0.000 0.450 66 R N -0.743 119.738 120.500 -0.032 0.000 2.174 66 R HA -0.162 4.178 4.340 -0.000 0.000 0.253 66 R C 0.970 177.124 176.300 -0.243 0.000 1.165 66 R CA 1.814 57.865 56.100 -0.081 0.000 0.984 66 R CB -0.057 30.236 30.300 -0.012 0.000 0.873 66 R HN 0.391 nan 8.270 nan 0.000 0.456 67 K N -0.824 119.301 120.400 -0.457 0.000 2.413 67 K HA 0.173 4.493 4.320 -0.000 0.000 0.204 67 K C -0.320 175.737 176.600 -0.906 0.000 1.041 67 K CA -0.009 55.706 56.287 -0.954 0.000 1.082 67 K CB 0.431 31.687 32.500 -2.072 0.000 0.871 67 K HN 0.239 nan 8.250 nan 0.000 0.535 68 N N 0.727 119.172 118.700 -0.425 0.000 2.754 68 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 68 N C -1.038 174.098 175.510 -0.623 0.000 1.093 68 N CA 0.381 53.011 53.050 -0.699 0.000 0.699 68 N CB -0.536 37.605 38.487 -0.576 0.000 1.016 68 N HN 0.247 nan 8.380 nan 0.000 0.552 69 W N 0.680 121.914 121.300 -0.111 0.000 2.850 69 W HA 0.732 5.392 4.660 -0.000 0.000 0.349 69 W C 0.394 177.133 176.519 0.366 0.000 1.133 69 W CA -1.005 56.382 57.345 0.069 0.000 1.117 69 W CB 0.396 29.856 29.460 -0.000 0.000 1.442 69 W HN -0.044 nan 8.180 nan 0.000 0.575 70 I N 0.532 121.405 120.570 0.505 0.000 2.730 70 I HA 0.715 4.885 4.170 -0.000 0.000 0.298 70 I C -1.299 174.926 176.117 0.180 0.000 1.089 70 I CA -1.201 60.269 61.300 0.284 0.000 1.041 70 I CB 2.725 40.795 38.000 0.116 0.000 1.235 70 I HN 0.371 nan 8.210 nan 0.000 0.423 71 I N 6.562 127.192 120.570 0.100 0.000 2.498 71 I HA 0.735 4.905 4.170 -0.000 0.000 0.290 71 I C -1.105 175.004 176.117 -0.014 0.000 1.032 71 I CA -0.767 60.540 61.300 0.012 0.000 1.073 71 I CB 1.837 39.880 38.000 0.071 0.000 1.251 71 I HN 0.685 nan 8.210 nan 0.000 0.426 72 V N 3.347 123.220 119.914 -0.068 0.000 3.007 72 V HA 1.009 5.129 4.120 -0.000 0.000 0.311 72 V C -0.433 175.582 176.094 -0.132 0.000 1.120 72 V CA -0.374 61.883 62.300 -0.070 0.000 0.980 72 V CB 1.429 33.230 31.823 -0.037 0.000 1.033 72 V HN 0.862 nan 8.190 nan 0.000 0.429 73 G N 1.369 110.107 108.800 -0.105 0.000 2.617 73 G HA2 0.759 4.719 3.960 -0.000 0.000 0.306 73 G HA3 0.759 4.719 3.960 -0.000 0.000 0.306 73 G C -0.607 174.225 174.900 -0.113 0.000 1.360 73 G CA -0.040 44.989 45.100 -0.118 0.000 0.983 73 G HN 1.514 nan 8.290 nan 0.000 0.496 74 S N 0.446 116.068 115.700 -0.129 0.000 2.709 74 S HA 0.483 4.953 4.470 -0.000 0.000 0.302 74 S C -0.083 174.425 174.600 -0.154 0.000 1.127 74 S CA -0.796 57.303 58.200 -0.167 0.000 0.905 74 S CB 2.146 65.233 63.200 -0.189 0.000 1.151 74 S HN 0.302 nan 8.310 nan 0.000 0.510 75 D N 1.059 121.279 120.400 -0.299 0.000 2.378 75 D HA -0.000 4.640 4.640 -0.000 0.000 0.222 75 D C 0.663 176.865 176.300 -0.163 0.000 0.980 75 D CA 0.948 54.709 54.000 -0.399 0.000 0.907 75 D CB -0.412 39.813 40.800 -0.958 0.000 0.899 75 D HN 0.757 nan 8.370 nan 0.000 0.527 76 D N -0.626 119.616 120.400 -0.264 0.000 2.324 76 D HA -0.124 4.516 4.640 -0.000 0.000 0.235 76 D C 0.297 176.317 176.300 -0.468 0.000 1.095 76 D CA -0.200 53.497 54.000 -0.506 0.000 0.871 76 D CB -0.435 40.151 40.800 -0.356 0.000 0.906 76 D HN -0.023 nan 8.370 nan 0.000 0.522 77 F N -1.170 118.758 119.950 -0.035 0.000 2.746 77 F HA -0.255 4.272 4.527 -0.000 0.000 0.315 77 F C 0.256 175.997 175.800 -0.098 0.000 0.666 77 F CA -0.239 57.760 58.000 -0.003 0.000 1.381 77 F CB -2.393 36.628 39.000 0.035 0.000 1.739 77 F HN 0.128 nan 8.300 nan 0.000 0.322 78 R N 0.518 120.991 120.500 -0.045 0.000 2.668 78 R HA 0.804 5.144 4.340 -0.000 0.000 0.279 78 R C -0.085 175.981 176.300 -0.389 0.000 0.976 78 R CA -0.973 54.973 56.100 -0.257 0.000 0.978 78 R CB 2.225 32.364 30.300 -0.269 0.000 1.133 78 R HN 0.134 nan 8.270 nan 0.000 0.484 79 I N 2.543 122.668 120.570 -0.742 0.000 2.378 79 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 79 I C -0.077 175.525 176.117 -0.858 0.000 0.992 79 I CA -0.565 60.239 61.300 -0.828 0.000 1.154 79 I CB 1.385 38.633 38.000 -1.254 0.000 1.315 79 I HN 0.357 nan 8.210 nan 0.000 0.448 80 R N 5.047 125.193 120.500 -0.590 0.000 2.750 80 R HA 0.784 5.124 4.340 -0.000 0.000 0.281 80 R C -1.458 174.459 176.300 -0.637 0.000 0.972 80 R CA -0.896 54.823 56.100 -0.636 0.000 0.912 80 R CB 2.888 32.901 30.300 -0.479 0.000 1.187 80 R HN 0.270 nan 8.270 nan 0.000 0.464 81 V N 3.089 122.481 119.914 -0.870 0.000 2.656 81 V HA 0.589 4.709 4.120 -0.000 0.000 0.307 81 V C -1.042 174.561 176.094 -0.819 0.000 1.051 81 V CA -0.713 61.160 62.300 -0.711 0.000 0.893 81 V CB 1.618 32.903 31.823 -0.896 0.000 0.999 81 V HN 0.546 nan 8.190 nan 0.000 0.426 82 F N 1.803 121.600 119.950 -0.254 0.000 2.576 82 F HA 0.470 4.997 4.527 -0.000 0.000 0.313 82 F C 0.220 176.020 175.800 -0.001 0.000 1.078 82 F CA -0.790 57.126 58.000 -0.141 0.000 0.921 82 F CB 1.716 40.676 39.000 -0.067 0.000 1.232 82 F HN 0.412 nan 8.300 nan 0.000 0.459 83 N N 1.710 120.557 118.700 0.246 0.000 2.422 83 N HA 0.008 4.748 4.740 -0.000 0.000 0.264 83 N C 0.405 176.041 175.510 0.211 0.000 1.063 83 N CA -0.142 53.056 53.050 0.246 0.000 0.959 83 N CB 0.757 39.362 38.487 0.196 0.000 1.087 83 N HN 0.694 nan 8.380 nan 0.000 0.483 84 Y N 3.229 123.719 120.300 0.316 0.000 2.516 84 Y HA 0.207 4.757 4.550 -0.000 0.000 0.291 84 Y C 1.211 177.198 175.900 0.145 0.000 1.131 84 Y CA 0.265 58.498 58.100 0.221 0.000 1.281 84 Y CB -0.379 38.282 38.460 0.336 0.000 1.013 84 Y HN 0.395 nan 8.280 nan 0.000 0.554 85 N N -0.062 118.816 118.700 0.297 0.000 2.333 85 N HA -0.046 4.694 4.740 -0.000 0.000 0.178 85 N C 1.245 176.833 175.510 0.130 0.000 1.018 85 N CA 1.608 54.803 53.050 0.242 0.000 0.882 85 N CB -0.173 38.426 38.487 0.187 0.000 0.984 85 N HN 0.408 nan 8.380 nan 0.000 0.434 86 T N -1.166 113.455 114.554 0.110 0.000 3.034 86 T HA 0.220 4.570 4.350 -0.000 0.000 0.248 86 T C 1.224 175.968 174.700 0.074 0.000 1.040 86 T CA 0.811 62.959 62.100 0.080 0.000 1.107 86 T CB 0.423 69.338 68.868 0.079 0.000 0.932 86 T HN 0.391 nan 8.240 nan 0.000 0.474 87 G N 2.281 111.142 108.800 0.102 0.000 2.176 87 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.253 87 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.253 87 G C 0.024 175.026 174.900 0.171 0.000 0.979 87 G CA 0.356 45.508 45.100 0.087 0.000 0.641 87 G HN 0.638 nan 8.290 nan 0.000 0.530 88 E N 0.981 121.270 120.200 0.148 0.000 2.384 88 E HA 0.287 4.637 4.350 -0.000 0.000 0.266 88 E C 0.325 176.991 176.600 0.111 0.000 1.012 88 E CA -0.396 56.075 56.400 0.118 0.000 0.901 88 E CB 0.344 30.084 29.700 0.066 0.000 0.967 88 E HN 0.285 nan 8.360 nan 0.000 0.435 89 K N 4.044 124.448 120.400 0.007 0.000 2.349 89 K HA 0.081 4.401 4.320 -0.000 0.000 0.288 89 K C 0.486 176.883 176.600 -0.339 0.000 1.058 89 K CA -0.371 55.699 56.287 -0.361 0.000 0.953 89 K CB 0.952 33.224 32.500 -0.379 0.000 0.997 89 K HN 0.460 nan 8.250 nan 0.000 0.477 90 V N 4.250 123.874 119.914 -0.483 0.000 2.500 90 V HA -0.002 4.118 4.120 -0.000 0.000 0.243 90 V C 0.585 176.453 176.094 -0.377 0.000 1.039 90 V CA 0.525 62.581 62.300 -0.407 0.000 1.053 90 V CB 0.615 32.036 31.823 -0.669 0.000 0.695 90 V HN 0.604 nan 8.190 nan 0.000 0.463 91 V N -0.437 119.150 119.914 -0.545 0.000 3.147 91 V HA 0.589 4.709 4.120 -0.000 0.000 0.299 91 V C -2.405 173.390 176.094 -0.499 0.000 1.302 91 V CA -0.563 61.462 62.300 -0.459 0.000 1.015 91 V CB 2.479 33.922 31.823 -0.633 0.000 1.086 91 V HN 0.375 nan 8.190 nan 0.000 0.437 92 D N 4.018 124.244 120.400 -0.290 0.000 2.613 92 D HA 0.504 5.144 4.640 -0.000 0.000 0.230 92 D C -1.365 174.864 176.300 -0.118 0.000 1.365 92 D CA -0.011 53.800 54.000 -0.315 0.000 0.976 92 D CB 1.409 42.033 40.800 -0.293 0.000 1.415 92 D HN 0.474 nan 8.370 nan 0.000 0.589 93 F N 0.702 120.438 119.950 -0.357 0.000 2.662 93 F HA 0.573 5.100 4.527 -0.000 0.000 0.312 93 F C -0.473 175.182 175.800 -0.241 0.000 1.113 93 F CA -1.325 56.510 58.000 -0.276 0.000 0.951 93 F CB 0.958 39.777 39.000 -0.302 0.000 1.344 93 F HN 0.058 nan 8.300 nan 0.000 0.462 94 E N 1.342 121.549 120.200 0.011 0.000 2.180 94 E HA 0.558 4.908 4.350 -0.000 0.000 0.283 94 E C 0.028 176.664 176.600 0.060 0.000 1.061 94 E CA -0.049 56.355 56.400 0.008 0.000 0.861 94 E CB 1.440 31.202 29.700 0.103 0.000 1.056 94 E HN 0.891 nan 8.360 nan 0.000 0.407 95 A N 5.586 128.359 122.820 -0.078 0.000 1.997 95 A HA 0.121 4.441 4.320 -0.000 0.000 0.212 95 A C 0.352 177.837 177.584 -0.165 0.000 1.178 95 A CA 0.491 52.500 52.037 -0.046 0.000 0.698 95 A CB 0.071 18.953 19.000 -0.197 0.000 0.842 95 A HN 0.761 nan 8.150 nan 0.000 0.458 96 H N -2.645 116.515 119.070 0.149 0.000 2.985 96 H HA 0.283 4.839 4.556 -0.000 0.000 0.360 96 H C -2.449 172.806 175.328 -0.121 0.000 1.221 96 H CA -1.605 54.472 56.048 0.048 0.000 1.121 96 H CB 1.450 31.215 29.762 0.005 0.000 1.854 96 H HN -0.079 nan 8.280 nan 0.000 0.551 97 P HA 0.072 nan 4.420 nan 0.000 0.249 97 P C -0.125 176.547 177.300 -1.046 0.000 1.229 97 P CA 0.939 63.818 63.100 -0.368 0.000 0.788 97 P CB 0.720 32.319 31.700 -0.168 0.000 1.072 98 D N -2.342 117.498 120.400 -0.934 0.000 2.752 98 D HA 0.172 4.812 4.640 -0.000 0.000 0.313 98 D C -0.510 175.583 176.300 -0.345 0.000 1.225 98 D CA -1.014 52.395 54.000 -0.985 0.000 0.976 98 D CB 0.614 41.069 40.800 -0.575 0.000 1.443 98 D HN -0.118 nan 8.370 nan 0.000 0.515 99 Y N 0.312 120.470 120.300 -0.238 0.000 2.683 99 Y HA 0.119 4.669 4.550 -0.000 0.000 0.340 99 Y C 0.822 176.630 175.900 -0.152 0.000 1.245 99 Y CA -0.198 57.851 58.100 -0.085 0.000 1.485 99 Y CB 0.529 38.899 38.460 -0.150 0.000 1.328 99 Y HN 0.070 nan 8.280 nan 0.000 0.603 100 I N 4.052 124.676 120.570 0.089 0.000 2.321 100 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 100 I C 0.740 176.852 176.117 -0.008 0.000 0.998 100 I CA -0.480 60.816 61.300 -0.006 0.000 1.227 100 I CB 1.403 39.424 38.000 0.035 0.000 1.368 100 I HN 0.673 nan 8.210 nan 0.000 0.466 101 R N 2.537 123.026 120.500 -0.019 0.000 2.175 101 R HA 0.254 4.594 4.340 -0.000 0.000 0.202 101 R C 0.415 176.736 176.300 0.035 0.000 1.018 101 R CA 0.377 56.487 56.100 0.016 0.000 1.029 101 R CB 0.472 30.790 30.300 0.030 0.000 0.959 101 R HN 0.594 nan 8.270 nan 0.000 0.480 102 S N -0.304 115.413 115.700 0.028 0.000 2.556 102 S HA 0.652 5.122 4.470 -0.000 0.000 0.271 102 S C -1.372 173.263 174.600 0.057 0.000 1.135 102 S CA -0.664 57.560 58.200 0.041 0.000 0.858 102 S CB 1.355 64.566 63.200 0.019 0.000 1.114 102 S HN 0.049 nan 8.310 nan 0.000 0.468 103 I N 2.222 122.839 120.570 0.077 0.000 2.619 103 I HA 0.725 4.895 4.170 -0.000 0.000 0.292 103 I C -0.482 175.724 176.117 0.148 0.000 1.100 103 I CA -0.826 60.548 61.300 0.123 0.000 1.043 103 I CB 2.105 40.184 38.000 0.131 0.000 1.239 103 I HN 0.772 nan 8.210 nan 0.000 0.420 104 A N 5.041 127.977 122.820 0.193 0.000 2.422 104 A HA 0.774 5.094 4.320 -0.000 0.000 0.302 104 A C -1.188 176.679 177.584 0.472 0.000 1.041 104 A CA -0.627 51.577 52.037 0.277 0.000 0.708 104 A CB 2.035 21.113 19.000 0.130 0.000 1.257 104 A HN 0.603 nan 8.150 nan 0.000 0.414 105 V N 2.041 122.245 119.914 0.484 0.000 2.448 105 V HA 0.498 4.618 4.120 -0.000 0.000 0.295 105 V C 0.006 176.264 176.094 0.274 0.000 1.025 105 V CA -0.645 61.951 62.300 0.494 0.000 0.859 105 V CB 1.136 33.234 31.823 0.459 0.000 0.988 105 V HN 1.008 nan 8.190 nan 0.000 0.431 106 H N 8.664 127.721 119.070 -0.022 0.000 3.034 106 H HA 0.190 4.746 4.556 -0.000 0.000 0.324 106 H C -1.645 173.531 175.328 -0.254 0.000 1.015 106 H CA -0.279 55.394 56.048 -0.625 0.000 1.429 106 H CB 2.024 31.513 29.762 -0.454 0.000 1.429 106 H HN 0.647 nan 8.280 nan 0.000 0.585 107 P HA -0.072 nan 4.420 nan 0.000 0.219 107 P C 0.885 178.210 177.300 0.041 0.000 1.150 107 P CA 1.112 64.140 63.100 -0.120 0.000 0.814 107 P CB 0.564 32.140 31.700 -0.207 0.000 0.787 108 T N -1.904 112.774 114.554 0.207 0.000 2.955 108 T HA 0.154 4.504 4.350 -0.000 0.000 0.251 108 T C 0.739 175.375 174.700 -0.107 0.000 1.002 108 T CA 0.155 62.313 62.100 0.098 0.000 0.970 108 T CB 0.535 69.452 68.868 0.082 0.000 1.091 108 T HN 0.081 nan 8.240 nan 0.000 0.495 109 K N 1.953 122.137 120.400 -0.359 0.000 2.185 109 K HA 0.355 4.675 4.320 -0.000 0.000 0.240 109 K C -2.462 173.536 176.600 -1.004 0.000 0.983 109 K CA -2.348 53.365 56.287 -0.956 0.000 0.873 109 K CB 1.339 32.839 32.500 -1.668 0.000 1.118 109 K HN -0.168 nan 8.250 nan 0.000 0.441 110 P HA 0.015 nan 4.420 nan 0.000 0.246 110 P C -1.293 175.203 177.300 -1.339 0.000 1.686 110 P CA 0.209 62.001 63.100 -2.180 0.000 0.867 110 P CB -0.094 30.485 31.700 -1.867 0.000 1.733 111 Y N -0.976 118.966 120.300 -0.597 0.000 2.409 111 Y HA 0.483 5.033 4.550 -0.000 0.000 0.339 111 Y C 0.515 176.606 175.900 0.318 0.000 1.033 111 Y CA -1.973 56.080 58.100 -0.079 0.000 1.094 111 Y CB 1.659 40.101 38.460 -0.031 0.000 1.210 111 Y HN -0.251 nan 8.280 nan 0.000 0.456 112 V N 4.674 124.983 119.914 0.658 0.000 2.638 112 V HA 0.480 4.600 4.120 -0.000 0.000 0.306 112 V C -0.630 175.815 176.094 0.585 0.000 1.052 112 V CA -0.932 61.791 62.300 0.705 0.000 0.885 112 V CB 2.217 34.561 31.823 0.869 0.000 0.999 112 V HN 0.582 nan 8.190 nan 0.000 0.424 113 L N 4.152 125.621 121.223 0.409 0.000 2.325 113 L HA 0.805 5.145 4.340 -0.000 0.000 0.278 113 L C -0.119 176.893 176.870 0.237 0.000 1.023 113 L CA -0.326 54.615 54.840 0.168 0.000 0.811 113 L CB 2.224 44.105 42.059 -0.296 0.000 1.249 113 L HN 0.756 nan 8.230 nan 0.000 0.431 114 S N 0.349 116.222 115.700 0.290 0.000 2.571 114 S HA 0.771 5.241 4.470 -0.000 0.000 0.284 114 S C -0.419 174.286 174.600 0.175 0.000 1.128 114 S CA -0.742 57.637 58.200 0.299 0.000 0.970 114 S CB 1.812 65.329 63.200 0.528 0.000 1.039 114 S HN 0.755 nan 8.310 nan 0.000 0.485 115 G N 0.574 109.397 108.800 0.038 0.000 2.379 115 G HA2 0.619 4.579 3.960 -0.000 0.000 0.327 115 G HA3 0.619 4.579 3.960 -0.000 0.000 0.327 115 G C -0.647 174.150 174.900 -0.173 0.000 1.145 115 G CA -0.627 44.451 45.100 -0.038 0.000 0.905 115 G HN 0.942 nan 8.290 nan 0.000 0.466 116 S N 0.254 115.782 115.700 -0.287 0.000 2.627 116 S HA 0.380 4.850 4.470 -0.000 0.000 0.283 116 S C 0.092 174.569 174.600 -0.204 0.000 1.127 116 S CA -0.622 57.357 58.200 -0.369 0.000 0.863 116 S CB 1.822 64.482 63.200 -0.899 0.000 1.121 116 S HN 0.338 nan 8.310 nan 0.000 0.479 117 D N 1.292 121.514 120.400 -0.297 0.000 2.378 117 D HA 0.011 4.651 4.640 -0.000 0.000 0.222 117 D C 0.838 177.054 176.300 -0.139 0.000 0.980 117 D CA 0.805 54.548 54.000 -0.428 0.000 0.907 117 D CB -0.131 40.025 40.800 -1.073 0.000 0.899 117 D HN 0.698 nan 8.370 nan 0.000 0.527 118 D N 0.017 120.338 120.400 -0.132 0.000 2.323 118 D HA -0.071 4.569 4.640 -0.000 0.000 0.239 118 D C 0.774 177.103 176.300 0.048 0.000 1.129 118 D CA -0.171 53.804 54.000 -0.041 0.000 0.865 118 D CB 0.004 40.791 40.800 -0.022 0.000 0.913 118 D HN -0.116 nan 8.370 nan 0.000 0.517 119 L N -1.172 120.110 121.223 0.098 0.000 4.759 119 L HA -0.175 4.165 4.340 -0.000 0.000 0.419 119 L C 0.078 177.059 176.870 0.185 0.000 1.093 119 L CA 0.810 55.748 54.840 0.164 0.000 1.037 119 L CB -2.850 39.292 42.059 0.138 0.000 2.095 119 L HN 0.224 nan 8.230 nan 0.000 0.739 120 T N -1.107 113.525 114.554 0.131 0.000 2.930 120 T HA 0.841 5.191 4.350 -0.000 0.000 0.290 120 T C -0.342 174.441 174.700 0.139 0.000 1.052 120 T CA -0.514 61.676 62.100 0.149 0.000 1.017 120 T CB 2.831 71.795 68.868 0.161 0.000 1.137 120 T HN -0.143 nan 8.240 nan 0.000 0.511 121 V N 2.657 122.666 119.914 0.157 0.000 2.577 121 V HA 0.511 4.631 4.120 -0.000 0.000 0.303 121 V C -0.589 175.616 176.094 0.185 0.000 1.042 121 V CA -0.775 61.616 62.300 0.152 0.000 0.872 121 V CB 1.890 33.757 31.823 0.072 0.000 0.998 121 V HN 0.709 nan 8.190 nan 0.000 0.423 122 K N 3.834 124.344 120.400 0.184 0.000 2.259 122 K HA 0.704 5.024 4.320 -0.000 0.000 0.249 122 K C -1.428 175.024 176.600 -0.247 0.000 0.942 122 K CA -0.960 55.259 56.287 -0.115 0.000 0.816 122 K CB 2.500 34.832 32.500 -0.281 0.000 1.155 122 K HN 0.388 nan 8.250 nan 0.000 0.428 123 L N 2.759 123.705 121.223 -0.462 0.000 2.313 123 L HA 0.526 4.866 4.340 -0.000 0.000 0.283 123 L C -1.924 174.635 176.870 -0.518 0.000 1.013 123 L CA -0.415 54.239 54.840 -0.310 0.000 0.816 123 L CB 0.465 42.422 42.059 -0.170 0.000 1.236 123 L HN 0.558 nan 8.230 nan 0.000 0.419 124 W N 3.911 125.324 121.300 0.189 0.000 2.632 124 W HA 0.476 5.136 4.660 -0.000 0.000 0.328 124 W C 0.146 176.795 176.519 0.217 0.000 1.044 124 W CA -0.543 56.947 57.345 0.241 0.000 1.225 124 W CB 1.055 30.812 29.460 0.494 0.000 1.396 124 W HN 0.493 nan 8.180 nan 0.000 0.499 125 N N 2.950 121.823 118.700 0.288 0.000 2.527 125 N HA 0.043 4.783 4.740 -0.000 0.000 0.236 125 N C 0.526 175.963 175.510 -0.122 0.000 0.999 125 N CA -0.700 52.410 53.050 0.099 0.000 0.935 125 N CB 0.500 39.025 38.487 0.063 0.000 1.132 125 N HN 0.692 nan 8.380 nan 0.000 0.511 126 W N 4.454 125.489 121.300 -0.442 0.000 2.421 126 W HA 0.003 4.663 4.660 0.000 0.000 0.270 126 W C 0.883 177.025 176.519 -0.628 0.000 1.233 126 W CA 0.702 57.328 57.345 -1.198 0.000 1.226 126 W CB -0.346 28.172 29.460 -1.569 0.000 1.121 126 W HN 0.572 nan 8.180 nan 0.000 0.579 127 E N 0.029 120.055 120.200 -0.289 0.000 2.419 127 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 127 E C 0.087 176.631 176.600 -0.092 0.000 1.040 127 E CA -0.023 56.318 56.400 -0.098 0.000 0.900 127 E CB -0.566 29.056 29.700 -0.130 0.000 1.054 127 E HN 0.157 nan 8.360 nan 0.000 0.462 128 N N 1.627 120.264 118.700 -0.105 0.000 2.451 128 N HA 0.105 4.845 4.740 -0.000 0.000 0.271 128 N C -0.788 174.706 175.510 -0.028 0.000 1.410 128 N CA -0.292 52.727 53.050 -0.051 0.000 0.884 128 N CB 0.412 38.874 38.487 -0.041 0.000 1.332 128 N HN 0.107 nan 8.380 nan 0.000 0.498 129 N N 0.435 119.111 118.700 -0.040 0.000 2.783 129 N HA -0.184 4.556 4.740 -0.000 0.000 0.247 129 N C -0.888 174.689 175.510 0.111 0.000 1.089 129 N CA 0.588 53.658 53.050 0.034 0.000 0.690 129 N CB -1.263 37.254 38.487 0.049 0.000 0.991 129 N HN 0.526 nan 8.380 nan 0.000 0.552 130 W N -2.460 118.871 121.300 0.051 0.000 5.538 130 W HA -0.272 4.388 4.660 -0.000 0.000 0.377 130 W C 0.897 177.422 176.519 0.010 0.000 1.406 130 W CA 0.447 57.797 57.345 0.008 0.000 0.940 130 W CB -1.977 27.298 29.460 -0.308 0.000 2.536 130 W HN 0.477 nan 8.180 nan 0.000 1.504 131 A N 0.843 123.774 122.820 0.185 0.000 2.407 131 A HA 0.493 4.813 4.320 -0.000 0.000 0.248 131 A C -0.060 177.637 177.584 0.187 0.000 1.082 131 A CA -0.425 51.699 52.037 0.145 0.000 0.785 131 A CB 0.458 19.482 19.000 0.038 0.000 1.020 131 A HN 0.591 nan 8.150 nan 0.000 0.489 132 L N 1.581 122.845 121.223 0.069 0.000 2.325 132 L HA 0.301 4.641 4.340 -0.000 0.000 0.284 132 L C 0.536 177.228 176.870 -0.296 0.000 1.089 132 L CA 0.840 55.459 54.840 -0.368 0.000 0.836 132 L CB 0.053 41.828 42.059 -0.473 0.000 1.184 132 L HN 0.798 nan 8.230 nan 0.000 0.444 133 E N 3.884 123.877 120.200 -0.345 0.000 2.526 133 E HA 0.156 4.506 4.350 -0.000 0.000 0.208 133 E C -0.378 176.006 176.600 -0.360 0.000 0.997 133 E CA -0.001 56.224 56.400 -0.291 0.000 0.961 133 E CB 0.708 30.259 29.700 -0.248 0.000 1.030 133 E HN 0.724 nan 8.360 nan 0.000 0.483 134 Q N 0.147 119.669 119.800 -0.463 0.000 2.616 134 Q HA 0.152 4.492 4.340 -0.000 0.000 0.254 134 Q C -1.820 173.784 176.000 -0.660 0.000 0.975 134 Q CA -0.228 55.233 55.803 -0.570 0.000 0.976 134 Q CB 1.876 30.215 28.738 -0.666 0.000 1.594 134 Q HN -0.043 nan 8.270 nan 0.000 0.425 135 T N 3.497 117.653 114.554 -0.665 0.000 2.840 135 T HA 0.548 4.898 4.350 -0.000 0.000 0.287 135 T C -1.230 173.099 174.700 -0.619 0.000 0.991 135 T CA -0.274 61.526 62.100 -0.500 0.000 0.964 135 T CB 0.233 68.932 68.868 -0.283 0.000 0.954 135 T HN 0.320 nan 8.240 nan 0.000 0.438 136 F N 2.899 122.647 119.950 -0.338 0.000 2.350 136 F HA 0.366 4.893 4.527 -0.000 0.000 0.365 136 F C 1.025 176.606 175.800 -0.365 0.000 1.122 136 F CA -0.835 56.796 58.000 -0.615 0.000 1.139 136 F CB 0.669 38.904 39.000 -1.276 0.000 1.220 136 F HN 0.431 nan 8.300 nan 0.000 0.499 137 E N 1.273 121.490 120.200 0.029 0.000 2.195 137 E HA 0.712 5.062 4.350 -0.000 0.000 0.271 137 E C 0.561 177.360 176.600 0.332 0.000 0.923 137 E CA -0.654 55.845 56.400 0.165 0.000 0.790 137 E CB 2.184 31.932 29.700 0.080 0.000 1.155 137 E HN 0.791 nan 8.360 nan 0.000 0.402 138 G N 1.724 110.683 108.800 0.265 0.000 3.617 138 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 138 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 138 G C 0.036 174.989 174.900 0.088 0.000 0.967 138 G CA -0.576 44.618 45.100 0.157 0.000 0.878 138 G HN 0.499 nan 8.290 nan 0.000 0.439 139 H N 1.282 120.492 119.070 0.233 0.000 2.771 139 H HA 0.319 4.875 4.556 -0.000 0.000 0.364 139 H C 0.565 175.962 175.328 0.116 0.000 1.133 139 H CA 0.731 56.876 56.048 0.163 0.000 1.423 139 H CB 0.983 30.866 29.762 0.201 0.000 1.425 139 H HN 0.434 nan 8.280 nan 0.000 0.606 140 E N 0.988 121.342 120.200 0.257 0.000 2.558 140 E HA 0.084 4.434 4.350 -0.000 0.000 0.205 140 E C 0.167 176.837 176.600 0.117 0.000 1.006 140 E CA -0.004 56.481 56.400 0.142 0.000 0.961 140 E CB 0.928 30.686 29.700 0.097 0.000 1.044 140 E HN 0.434 nan 8.360 nan 0.000 0.465 141 H N -0.729 118.384 119.070 0.072 0.000 3.234 141 H HA 0.251 4.807 4.556 -0.000 0.000 0.280 141 H C -1.051 174.354 175.328 0.128 0.000 1.601 141 H CA -0.967 55.070 56.048 -0.018 0.000 1.198 141 H CB 0.503 30.177 29.762 -0.147 0.000 1.840 141 H HN -0.080 nan 8.280 nan 0.000 0.681 142 F N 2.262 122.474 119.950 0.436 0.000 2.578 142 F HA 0.080 4.607 4.527 -0.000 0.000 0.381 142 F C 1.058 176.881 175.800 0.039 0.000 1.069 142 F CA -0.589 57.517 58.000 0.177 0.000 1.231 142 F CB 0.454 39.576 39.000 0.204 0.000 1.086 142 F HN 0.091 nan 8.300 nan 0.000 0.564 143 V N 4.619 124.637 119.914 0.173 0.000 2.372 143 V HA 0.081 4.201 4.120 -0.000 0.000 0.261 143 V C 0.681 176.807 176.094 0.054 0.000 1.055 143 V CA -0.739 61.577 62.300 0.027 0.000 0.930 143 V CB 1.004 32.852 31.823 0.042 0.000 1.031 143 V HN 0.828 nan 8.190 nan 0.000 0.479 144 M N 3.433 123.068 119.600 0.058 0.000 2.447 144 M HA 0.240 4.720 4.480 -0.000 0.000 0.264 144 M C 0.588 176.920 176.300 0.054 0.000 1.095 144 M CA 0.716 56.070 55.300 0.089 0.000 1.125 144 M CB -0.243 32.432 32.600 0.125 0.000 1.389 144 M HN 0.840 nan 8.290 nan 0.000 0.459 145 C N 0.798 120.100 119.300 0.002 0.000 3.181 145 C HA 0.636 5.096 4.460 -0.000 0.000 0.362 145 C C -1.135 173.831 174.990 -0.039 0.000 1.125 145 C CA -0.822 58.154 59.018 -0.070 0.000 1.265 145 C CB 0.945 28.547 27.740 -0.229 0.000 1.632 145 C HN 0.279 nan 8.230 nan 0.000 0.525 146 V N 2.511 122.400 119.914 -0.042 0.000 2.789 146 V HA 1.040 5.160 4.120 -0.000 0.000 0.311 146 V C -0.192 175.893 176.094 -0.015 0.000 1.073 146 V CA -0.066 62.239 62.300 0.007 0.000 0.921 146 V CB 1.281 33.059 31.823 -0.075 0.000 1.009 146 V HN 1.856 nan 8.190 nan 0.000 0.426 147 A N 3.348 126.212 122.820 0.073 0.000 2.488 147 A HA 0.858 5.178 4.320 -0.000 0.000 0.298 147 A C -1.203 176.479 177.584 0.163 0.000 1.044 147 A CA -0.497 51.622 52.037 0.137 0.000 0.693 147 A CB 1.310 20.461 19.000 0.251 0.000 1.272 147 A HN 0.778 nan 8.150 nan 0.000 0.402 148 F N 1.187 121.233 119.950 0.160 0.000 2.382 148 F HA 0.260 4.787 4.527 -0.000 0.000 0.331 148 F C 1.229 176.894 175.800 -0.225 0.000 1.121 148 F CA 0.470 58.500 58.000 0.050 0.000 1.183 148 F CB 1.083 40.054 39.000 -0.048 0.000 1.207 148 F HN 0.730 nan 8.300 nan 0.000 0.555 149 N N 4.478 122.998 118.700 -0.301 0.000 2.401 149 N HA 0.131 4.871 4.740 -0.000 0.000 0.255 149 N C -1.646 173.661 175.510 -0.338 0.000 1.110 149 N CA -1.578 50.887 53.050 -0.975 0.000 0.949 149 N CB 0.940 38.888 38.487 -0.899 0.000 1.110 149 N HN 0.230 nan 8.380 nan 0.000 0.490 150 P HA -0.155 nan 4.420 nan 0.000 0.221 150 P C 0.136 177.389 177.300 -0.077 0.000 1.145 150 P CA 1.345 64.394 63.100 -0.085 0.000 0.795 150 P CB 0.282 31.976 31.700 -0.009 0.000 0.775 151 K N -1.059 119.291 120.400 -0.083 0.000 2.379 151 K HA 0.069 4.389 4.320 -0.000 0.000 0.194 151 K C 0.265 176.854 176.600 -0.020 0.000 1.031 151 K CA 0.368 56.638 56.287 -0.029 0.000 1.037 151 K CB 0.270 32.782 32.500 0.021 0.000 0.824 151 K HN 0.015 nan 8.250 nan 0.000 0.516 152 D N -0.367 120.003 120.400 -0.050 0.000 2.584 152 D HA 0.071 4.711 4.640 -0.000 0.000 0.238 152 D C -2.338 173.965 176.300 0.005 0.000 1.302 152 D CA -1.613 52.382 54.000 -0.008 0.000 0.884 152 D CB 1.108 41.919 40.800 0.019 0.000 1.456 152 D HN -0.196 nan 8.370 nan 0.000 0.528 153 P HA -0.100 nan 4.420 nan 0.000 0.231 153 P C 0.865 178.301 177.300 0.227 0.000 1.158 153 P CA 0.525 63.599 63.100 -0.043 0.000 0.763 153 P CB 0.062 31.470 31.700 -0.487 0.000 0.805 154 S N -2.842 112.996 115.700 0.231 0.000 2.603 154 S HA 0.089 4.559 4.470 -0.000 0.000 0.220 154 S C 0.792 175.570 174.600 0.297 0.000 0.967 154 S CA 0.012 58.390 58.200 0.298 0.000 0.920 154 S CB -0.678 62.642 63.200 0.199 0.000 0.773 154 S HN 0.043 nan 8.310 nan 0.000 0.529 155 T N 1.580 116.299 114.554 0.275 0.000 2.909 155 T HA 0.683 5.032 4.350 -0.000 0.000 0.299 155 T C -1.398 173.440 174.700 0.230 0.000 1.073 155 T CA -0.831 61.375 62.100 0.176 0.000 0.999 155 T CB 1.225 70.117 68.868 0.039 0.000 1.098 155 T HN 0.401 nan 8.240 nan 0.000 0.477 156 F N 0.885 120.815 119.950 -0.034 0.000 2.685 156 F HA 0.932 5.459 4.527 -0.000 0.000 0.315 156 F C -1.197 174.627 175.800 0.040 0.000 1.126 156 F CA -1.436 56.500 58.000 -0.106 0.000 0.950 156 F CB 0.816 39.480 39.000 -0.559 0.000 1.360 156 F HN 0.679 nan 8.300 nan 0.000 0.469 157 A N 1.026 123.980 122.820 0.224 0.000 2.380 157 A HA 0.840 5.160 4.320 -0.000 0.000 0.315 157 A C -1.070 176.648 177.584 0.223 0.000 1.101 157 A CA -0.330 51.743 52.037 0.059 0.000 0.771 157 A CB 1.310 20.306 19.000 -0.006 0.000 1.287 157 A HN 1.359 nan 8.150 nan 0.000 0.436 158 S N 0.364 116.190 115.700 0.209 0.000 2.500 158 S HA 0.784 5.254 4.470 -0.000 0.000 0.301 158 S C -0.085 174.593 174.600 0.131 0.000 1.092 158 S CA -0.166 58.203 58.200 0.283 0.000 1.030 158 S CB 1.616 65.168 63.200 0.586 0.000 1.031 158 S HN 1.611 nan 8.310 nan 0.000 0.483 159 G N 0.262 109.071 108.800 0.015 0.000 2.417 159 G HA2 0.563 4.523 3.960 -0.000 0.000 0.320 159 G HA3 0.563 4.523 3.960 -0.000 0.000 0.320 159 G C -0.862 173.958 174.900 -0.134 0.000 1.204 159 G CA -0.663 44.412 45.100 -0.041 0.000 0.923 159 G HN 0.967 nan 8.290 nan 0.000 0.466 160 C N 3.445 122.622 119.300 -0.204 0.000 2.707 160 C HA 0.508 4.968 4.460 -0.000 0.000 0.313 160 C C 1.615 176.543 174.990 -0.104 0.000 1.209 160 C CA -0.761 58.105 59.018 -0.253 0.000 1.635 160 C CB 0.813 28.148 27.740 -0.676 0.000 2.206 160 C HN 0.758 nan 8.230 nan 0.000 0.485 161 L N 2.380 123.551 121.223 -0.088 0.000 2.549 161 L HA -0.009 4.331 4.340 -0.000 0.000 0.229 161 L C 1.705 178.454 176.870 -0.202 0.000 1.158 161 L CA 1.114 55.829 54.840 -0.207 0.000 0.842 161 L CB -0.295 41.466 42.059 -0.496 0.000 0.952 161 L HN 0.827 nan 8.230 nan 0.000 0.452 162 D N -0.033 120.338 120.400 -0.048 0.000 2.338 162 D HA -0.132 4.507 4.640 -0.000 0.000 0.239 162 D C 0.787 177.090 176.300 0.004 0.000 1.095 162 D CA -0.090 53.925 54.000 0.026 0.000 0.888 162 D CB -0.042 40.836 40.800 0.131 0.000 0.899 162 D HN 0.157 nan 8.370 nan 0.000 0.525 163 R N -1.649 118.834 120.500 -0.028 0.000 3.908 163 R HA -0.140 4.200 4.340 -0.000 0.000 0.381 163 R C 0.076 176.364 176.300 -0.019 0.000 1.135 163 R CA 1.316 57.404 56.100 -0.019 0.000 0.990 163 R CB -2.829 27.463 30.300 -0.013 0.000 1.557 163 R HN 0.585 nan 8.270 nan 0.000 0.535 164 T N -4.202 110.350 114.554 -0.003 0.000 2.864 164 T HA 0.786 5.136 4.350 -0.000 0.000 0.289 164 T C -0.403 174.298 174.700 0.002 0.000 1.082 164 T CA -0.770 61.320 62.100 -0.017 0.000 1.009 164 T CB 2.655 71.536 68.868 0.021 0.000 1.234 164 T HN -0.063 nan 8.240 nan 0.000 0.526 165 V N 1.256 121.135 119.914 -0.059 0.000 2.577 165 V HA 0.563 4.683 4.120 -0.000 0.000 0.303 165 V C -0.644 175.362 176.094 -0.146 0.000 1.042 165 V CA -0.852 61.411 62.300 -0.062 0.000 0.872 165 V CB 1.928 33.648 31.823 -0.172 0.000 0.998 165 V HN 0.902 nan 8.190 nan 0.000 0.423 166 K N 3.374 123.676 120.400 -0.163 0.000 2.221 166 K HA 0.753 5.073 4.320 -0.000 0.000 0.258 166 K C -1.247 174.863 176.600 -0.817 0.000 0.944 166 K CA -0.692 55.211 56.287 -0.641 0.000 0.823 166 K CB 2.548 34.451 32.500 -0.995 0.000 1.113 166 K HN 0.409 nan 8.250 nan 0.000 0.431 167 V N 3.453 122.677 119.914 -1.151 0.000 2.398 167 V HA 0.420 4.540 4.120 -0.000 0.000 0.286 167 V C -1.093 174.397 176.094 -1.007 0.000 1.026 167 V CA -0.667 61.019 62.300 -1.024 0.000 0.868 167 V CB 0.395 31.433 31.823 -1.308 0.000 0.982 167 V HN 0.668 nan 8.190 nan 0.000 0.443 168 W N 1.896 122.672 121.300 -0.874 0.000 2.820 168 W HA 0.738 5.398 4.660 -0.000 0.000 0.350 168 W C 0.024 176.273 176.519 -0.450 0.000 1.116 168 W CA -0.845 56.086 57.345 -0.690 0.000 1.146 168 W CB 1.297 30.201 29.460 -0.928 0.000 1.433 168 W HN 0.307 nan 8.180 nan 0.000 0.561 169 S N 1.153 116.923 115.700 0.117 0.000 2.454 169 S HA 0.234 4.704 4.470 -0.000 0.000 0.306 169 S C 0.723 175.510 174.600 0.312 0.000 1.100 169 S CA -0.558 57.741 58.200 0.165 0.000 1.087 169 S CB 1.268 64.547 63.200 0.132 0.000 1.019 169 S HN 0.452 nan 8.310 nan 0.000 0.480 170 L N 3.485 124.914 121.223 0.343 0.000 2.064 170 L HA -0.132 4.208 4.340 -0.000 0.000 0.216 170 L C 2.352 179.394 176.870 0.286 0.000 1.077 170 L CA 2.205 57.290 54.840 0.407 0.000 0.766 170 L CB -0.980 41.272 42.059 0.323 0.000 0.890 170 L HN 0.870 nan 8.230 nan 0.000 0.435 171 G N -2.210 106.703 108.800 0.189 0.000 2.985 171 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.209 171 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.209 171 G C 0.603 175.562 174.900 0.098 0.000 1.165 171 G CA -0.173 44.989 45.100 0.102 0.000 0.776 171 G HN 0.251 nan 8.290 nan 0.000 0.541 172 Q N 0.316 120.224 119.800 0.180 0.000 2.245 172 Q HA 0.318 4.658 4.340 -0.000 0.000 0.256 172 Q C 0.971 177.102 176.000 0.217 0.000 0.942 172 Q CA -0.199 55.706 55.803 0.171 0.000 0.896 172 Q CB 1.721 30.565 28.738 0.177 0.000 1.272 172 Q HN 0.238 nan 8.270 nan 0.000 0.442 173 S N 0.084 115.863 115.700 0.132 0.000 2.501 173 S HA 0.019 4.489 4.470 -0.000 0.000 0.220 173 S C 0.897 175.672 174.600 0.291 0.000 0.997 173 S CA 0.217 58.491 58.200 0.123 0.000 0.919 173 S CB 0.268 63.486 63.200 0.031 0.000 0.778 173 S HN 0.513 nan 8.310 nan 0.000 0.523 174 T N 3.911 118.613 114.554 0.247 0.000 2.855 174 T HA 0.520 4.870 4.350 -0.000 0.000 0.281 174 T C -3.059 171.689 174.700 0.080 0.000 1.007 174 T CA -2.320 59.881 62.100 0.168 0.000 1.009 174 T CB 1.390 70.290 68.868 0.052 0.000 0.983 174 T HN 0.039 nan 8.240 nan 0.000 0.455 175 P HA 0.145 nan 4.420 nan 0.000 0.268 175 P C 0.316 177.391 177.300 -0.375 0.000 1.205 175 P CA 0.013 62.695 63.100 -0.696 0.000 0.771 175 P CB 0.647 31.517 31.700 -1.382 0.000 0.858 176 N N 1.038 119.523 118.700 -0.359 0.000 2.149 176 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 176 N C 0.233 175.719 175.510 -0.040 0.000 1.019 176 N CA 1.082 54.038 53.050 -0.155 0.000 0.857 176 N CB -0.275 38.132 38.487 -0.134 0.000 0.997 176 N HN 0.549 nan 8.380 nan 0.000 0.426 177 F N -3.054 116.733 119.950 -0.270 0.000 2.744 177 F HA 0.418 4.945 4.527 -0.000 0.000 0.311 177 F C -1.671 173.935 175.800 -0.323 0.000 1.144 177 F CA -1.235 56.623 58.000 -0.238 0.000 0.938 177 F CB 1.014 39.925 39.000 -0.148 0.000 1.292 177 F HN -0.427 nan 8.300 nan 0.000 0.444 178 T N 3.462 118.035 114.554 0.032 0.000 2.792 178 T HA 0.623 4.973 4.350 -0.000 0.000 0.280 178 T C -1.336 173.383 174.700 0.031 0.000 0.990 178 T CA -0.408 61.630 62.100 -0.102 0.000 0.960 178 T CB 1.468 70.236 68.868 -0.168 0.000 0.939 178 T HN 0.778 nan 8.240 nan 0.000 0.439 179 L N 4.341 125.548 121.223 -0.026 0.000 2.295 179 L HA 0.614 4.954 4.340 -0.000 0.000 0.285 179 L C 0.390 177.120 176.870 -0.233 0.000 1.035 179 L CA -0.169 54.584 54.840 -0.146 0.000 0.806 179 L CB 1.340 43.253 42.059 -0.245 0.000 1.214 179 L HN 0.763 nan 8.230 nan 0.000 0.426 180 T N -0.353 114.069 114.554 -0.220 0.000 2.749 180 T HA 0.315 4.665 4.350 -0.000 0.000 0.287 180 T C 1.013 175.584 174.700 -0.214 0.000 0.970 180 T CA 0.040 62.048 62.100 -0.155 0.000 0.980 180 T CB 1.035 69.863 68.868 -0.066 0.000 0.924 180 T HN 0.769 nan 8.240 nan 0.000 0.456 181 T N -0.253 114.209 114.554 -0.153 0.000 3.035 181 T HA 0.331 4.681 4.350 -0.000 0.000 0.259 181 T C 1.951 176.807 174.700 0.260 0.000 1.078 181 T CA 0.722 62.841 62.100 0.032 0.000 1.132 181 T CB -0.652 68.280 68.868 0.108 0.000 0.900 181 T HN 1.714 nan 8.240 nan 0.000 0.480 182 G N 1.349 110.219 108.800 0.116 0.000 2.179 182 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 182 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 182 G C 0.039 174.985 174.900 0.077 0.000 0.977 182 G CA 0.135 45.294 45.100 0.098 0.000 0.641 182 G HN 0.657 nan 8.290 nan 0.000 0.533 183 Q N 0.798 120.649 119.800 0.085 0.000 2.681 183 Q HA 0.293 4.633 4.340 -0.000 0.000 0.222 183 Q C 1.141 177.155 176.000 0.023 0.000 1.258 183 Q CA -0.468 55.368 55.803 0.056 0.000 1.014 183 Q CB 0.481 29.265 28.738 0.077 0.000 1.384 183 Q HN 0.442 nan 8.270 nan 0.000 0.570 184 E N 1.168 121.376 120.200 0.013 0.000 2.208 184 E HA -0.247 4.103 4.350 -0.000 0.000 0.202 184 E C 0.938 177.526 176.600 -0.019 0.000 1.014 184 E CA 1.305 57.703 56.400 -0.002 0.000 0.819 184 E CB -0.003 29.697 29.700 -0.001 0.000 0.735 184 E HN 0.445 nan 8.360 nan 0.000 0.469 185 R N 0.367 120.856 120.500 -0.018 0.000 2.310 185 R HA 0.204 4.544 4.340 -0.000 0.000 0.202 185 R C 0.729 176.995 176.300 -0.056 0.000 0.933 185 R CA 0.604 56.682 56.100 -0.036 0.000 1.054 185 R CB 0.369 30.657 30.300 -0.019 0.000 0.985 185 R HN 0.194 nan 8.270 nan 0.000 0.489 186 G N 0.009 108.781 108.800 -0.045 0.000 2.541 186 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.686 186 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.686 186 G C -1.097 173.799 174.900 -0.007 0.000 1.286 186 G CA -1.016 44.051 45.100 -0.055 0.000 0.894 186 G HN -0.023 nan 8.290 nan 0.000 0.575 187 V N 1.538 121.451 119.914 -0.001 0.000 2.357 187 V HA 0.400 4.520 4.120 -0.000 0.000 0.284 187 V C 0.553 176.690 176.094 0.071 0.000 1.018 187 V CA -0.723 61.602 62.300 0.042 0.000 0.841 187 V CB 1.616 33.455 31.823 0.026 0.000 0.991 187 V HN 0.712 nan 8.190 nan 0.000 0.437 188 N N 2.750 121.523 118.700 0.123 0.000 2.415 188 N HA 0.100 4.840 4.740 -0.000 0.000 0.176 188 N C -0.406 175.291 175.510 0.312 0.000 1.042 188 N CA 0.713 53.876 53.050 0.188 0.000 0.902 188 N CB 0.465 39.063 38.487 0.184 0.000 0.986 188 N HN 0.689 nan 8.380 nan 0.000 0.447 189 Y N -1.002 119.353 120.300 0.092 0.000 2.592 189 Y HA 0.466 5.016 4.550 -0.000 0.000 0.334 189 Y C -1.367 174.595 175.900 0.103 0.000 1.136 189 Y CA -0.978 57.192 58.100 0.117 0.000 1.042 189 Y CB 1.672 40.230 38.460 0.163 0.000 1.325 189 Y HN -0.295 nan 8.280 nan 0.000 0.457 190 V N 4.453 124.368 119.914 0.002 0.000 2.971 190 V HA 0.669 4.789 4.120 -0.000 0.000 0.309 190 V C -1.988 174.141 176.094 0.058 0.000 1.130 190 V CA -0.196 62.141 62.300 0.061 0.000 0.964 190 V CB 2.032 33.850 31.823 -0.007 0.000 1.029 190 V HN 0.884 nan 8.190 nan 0.000 0.427 191 D N 3.173 123.676 120.400 0.171 0.000 2.654 191 D HA 0.326 4.966 4.640 -0.000 0.000 0.231 191 D C -1.971 174.560 176.300 0.385 0.000 1.239 191 D CA -0.177 54.004 54.000 0.302 0.000 0.790 191 D CB 2.207 43.245 40.800 0.396 0.000 1.480 191 D HN 0.440 nan 8.370 nan 0.000 0.442 192 Y N 0.676 121.243 120.300 0.446 0.000 2.432 192 Y HA 0.286 4.836 4.550 -0.000 0.000 0.322 192 Y C -0.137 176.161 175.900 0.663 0.000 1.246 192 Y CA -0.638 57.780 58.100 0.529 0.000 1.268 192 Y CB 1.081 39.754 38.460 0.356 0.000 1.276 192 Y HN 0.258 nan 8.280 nan 0.000 0.499 193 Y N 5.238 125.821 120.300 0.471 0.000 2.404 193 Y HA 0.244 4.794 4.550 -0.000 0.000 0.344 193 Y C -1.586 174.395 175.900 0.135 0.000 0.995 193 Y CA -2.544 55.497 58.100 -0.099 0.000 1.201 193 Y CB 1.247 39.338 38.460 -0.615 0.000 1.151 193 Y HN 0.417 nan 8.280 nan 0.000 0.517 194 P HA -0.042 nan 4.420 nan 0.000 0.242 194 P C -0.593 176.497 177.300 -0.351 0.000 1.197 194 P CA 0.816 63.838 63.100 -0.130 0.000 0.765 194 P CB 0.342 32.047 31.700 0.008 0.000 0.936 195 L N 0.041 120.735 121.223 -0.882 0.000 2.334 195 L HA 0.375 4.715 4.340 -0.000 0.000 0.273 195 L C -1.386 175.246 176.870 -0.397 0.000 1.013 195 L CA -2.638 51.806 54.840 -0.659 0.000 0.816 195 L CB 1.725 43.341 42.059 -0.738 0.000 1.278 195 L HN -0.376 nan 8.230 nan 0.000 0.431 196 P HA -0.197 nan 4.420 nan 0.000 0.218 196 P C 0.770 178.058 177.300 -0.019 0.000 1.148 196 P CA 1.232 64.303 63.100 -0.048 0.000 0.822 196 P CB -0.005 31.687 31.700 -0.014 0.000 0.784 197 D N -1.430 118.971 120.400 0.002 0.000 2.351 197 D HA -0.105 4.535 4.640 -0.000 0.000 0.216 197 D C 0.255 176.537 176.300 -0.030 0.000 0.968 197 D CA 0.915 54.929 54.000 0.022 0.000 0.899 197 D CB -0.299 40.537 40.800 0.060 0.000 0.907 197 D HN 0.131 nan 8.370 nan 0.000 0.514 198 K N -0.185 120.197 120.400 -0.030 0.000 2.561 198 K HA 0.238 4.558 4.320 -0.000 0.000 0.254 198 K C -2.810 173.639 176.600 -0.252 0.000 0.942 198 K CA -1.653 54.426 56.287 -0.347 0.000 0.818 198 K CB 2.767 34.734 32.500 -0.888 0.000 1.306 198 K HN -0.166 nan 8.250 nan 0.000 0.435 199 P HA 0.141 nan 4.420 nan 0.000 0.214 199 P C -1.228 175.949 177.300 -0.206 0.000 1.849 199 P CA -0.226 62.604 63.100 -0.451 0.000 1.022 199 P CB -0.039 31.166 31.700 -0.826 0.000 1.912 200 Y N 1.098 121.446 120.300 0.080 0.000 2.496 200 Y HA 0.594 5.144 4.550 -0.000 0.000 0.331 200 Y C 0.964 177.158 175.900 0.489 0.000 1.140 200 Y CA -1.775 56.457 58.100 0.219 0.000 1.166 200 Y CB 1.457 39.987 38.460 0.117 0.000 1.249 200 Y HN 0.111 nan 8.280 nan 0.000 0.479 201 M N 2.791 122.792 119.600 0.669 0.000 2.593 201 M HA 0.573 5.053 4.480 -0.000 0.000 0.290 201 M C -1.501 175.114 176.300 0.526 0.000 1.244 201 M CA -0.763 54.849 55.300 0.520 0.000 0.857 201 M CB 3.592 36.345 32.600 0.256 0.000 1.738 201 M HN 0.613 nan 8.290 nan 0.000 0.461 202 I N 1.130 121.913 120.570 0.355 0.000 2.647 202 I HA 0.670 4.840 4.170 -0.000 0.000 0.295 202 I C -1.102 175.140 176.117 0.208 0.000 1.078 202 I CA -0.206 61.192 61.300 0.163 0.000 1.048 202 I CB 2.295 40.161 38.000 -0.224 0.000 1.239 202 I HN 0.842 nan 8.210 nan 0.000 0.421 203 T N 3.706 118.395 114.554 0.224 0.000 2.876 203 T HA 0.865 5.215 4.350 -0.000 0.000 0.289 203 T C -0.624 174.153 174.700 0.129 0.000 1.014 203 T CA -0.724 61.512 62.100 0.226 0.000 0.986 203 T CB 1.783 70.843 68.868 0.321 0.000 1.021 203 T HN 0.732 nan 8.240 nan 0.000 0.458 204 A N 1.684 124.586 122.820 0.136 0.000 2.340 204 A HA 0.914 5.234 4.320 -0.000 0.000 0.331 204 A C -0.001 177.621 177.584 0.064 0.000 1.140 204 A CA -0.810 51.262 52.037 0.058 0.000 0.801 204 A CB 1.692 20.710 19.000 0.029 0.000 1.234 204 A HN 1.089 nan 8.150 nan 0.000 0.469 205 S N -0.377 115.333 115.700 0.018 0.000 2.618 205 S HA 0.458 4.928 4.470 -0.000 0.000 0.277 205 S C -0.536 174.062 174.600 -0.004 0.000 1.138 205 S CA -0.486 57.726 58.200 0.021 0.000 0.844 205 S CB 1.457 64.674 63.200 0.028 0.000 1.127 205 S HN 0.562 nan 8.310 nan 0.000 0.474 206 D N 1.355 121.758 120.400 0.005 0.000 2.378 206 D HA 0.036 4.676 4.640 -0.000 0.000 0.227 206 D C 0.722 177.019 176.300 -0.004 0.000 1.012 206 D CA 0.632 54.631 54.000 -0.001 0.000 0.905 206 D CB -0.047 40.761 40.800 0.013 0.000 0.895 206 D HN 0.670 nan 8.370 nan 0.000 0.532 207 D N 0.148 120.547 120.400 -0.002 0.000 2.336 207 D HA -0.048 4.592 4.640 -0.000 0.000 0.228 207 D C 1.188 177.489 176.300 0.001 0.000 1.120 207 D CA -0.168 53.832 54.000 -0.000 0.000 0.839 207 D CB -0.477 40.325 40.800 0.002 0.000 0.932 207 D HN 0.169 nan 8.370 nan 0.000 0.509 208 L N -1.535 119.688 121.223 -0.001 0.000 4.937 208 L HA -0.225 4.115 4.340 -0.000 0.000 0.422 208 L C 0.331 177.216 176.870 0.025 0.000 1.059 208 L CA 1.013 55.864 54.840 0.018 0.000 1.111 208 L CB -2.929 39.149 42.059 0.031 0.000 2.033 208 L HN 0.426 nan 8.230 nan 0.000 0.708 209 T N -1.760 112.790 114.554 -0.008 0.000 2.950 209 T HA 0.837 5.187 4.350 -0.000 0.000 0.288 209 T C -0.298 174.355 174.700 -0.078 0.000 1.035 209 T CA -0.719 61.354 62.100 -0.044 0.000 1.028 209 T CB 2.915 71.746 68.868 -0.062 0.000 1.109 209 T HN 0.173 nan 8.240 nan 0.000 0.514 210 I N 1.056 121.524 120.570 -0.169 0.000 2.466 210 I HA 0.445 4.615 4.170 -0.000 0.000 0.289 210 I C -0.315 175.621 176.117 -0.303 0.000 1.026 210 I CA -0.841 60.323 61.300 -0.225 0.000 1.078 210 I CB 2.126 39.905 38.000 -0.368 0.000 1.249 210 I HN 0.544 nan 8.210 nan 0.000 0.429 211 K N 6.579 126.831 120.400 -0.247 0.000 2.345 211 K HA 0.598 4.918 4.320 -0.000 0.000 0.255 211 K C -1.060 175.171 176.600 -0.615 0.000 0.934 211 K CA -0.799 55.193 56.287 -0.492 0.000 0.801 211 K CB 2.357 34.559 32.500 -0.497 0.000 1.137 211 K HN 0.354 nan 8.250 nan 0.000 0.424 212 I N 2.356 122.456 120.570 -0.783 0.000 2.385 212 I HA 0.356 4.526 4.170 -0.000 0.000 0.294 212 I C -0.524 175.129 176.117 -0.775 0.000 0.988 212 I CA -0.627 60.334 61.300 -0.565 0.000 1.265 212 I CB 0.423 38.095 38.000 -0.547 0.000 1.388 212 I HN 0.546 nan 8.210 nan 0.000 0.480 213 W N 3.121 124.336 121.300 -0.141 0.000 2.950 213 W HA 0.357 5.017 4.660 -0.000 0.000 0.340 213 W C -0.175 176.300 176.519 -0.073 0.000 1.139 213 W CA -0.603 56.673 57.345 -0.116 0.000 1.188 213 W CB 0.957 30.418 29.460 0.001 0.000 1.426 213 W HN 0.339 nan 8.180 nan 0.000 0.531 214 D N 1.758 122.272 120.400 0.191 0.000 2.473 214 D HA 0.029 4.669 4.640 -0.000 0.000 0.226 214 D C 0.614 176.998 176.300 0.140 0.000 1.089 214 D CA -0.511 53.593 54.000 0.173 0.000 0.883 214 D CB 0.608 41.481 40.800 0.121 0.000 1.029 214 D HN 0.473 nan 8.370 nan 0.000 0.517 215 Y N 2.288 122.733 120.300 0.242 0.000 2.569 215 Y HA -0.069 4.481 4.550 -0.000 0.000 0.293 215 Y C 1.790 177.664 175.900 -0.044 0.000 1.144 215 Y CA 0.804 58.983 58.100 0.132 0.000 1.321 215 Y CB -0.464 38.200 38.460 0.340 0.000 0.982 215 Y HN 0.319 nan 8.280 nan 0.000 0.558 216 Q N -0.116 119.682 119.800 -0.004 0.000 2.062 216 Q HA -0.100 4.240 4.340 -0.000 0.000 0.196 216 Q C 2.035 178.001 176.000 -0.056 0.000 0.967 216 Q CA 1.749 57.562 55.803 0.017 0.000 0.832 216 Q CB -0.123 28.598 28.738 -0.029 0.000 0.899 216 Q HN 0.525 nan 8.270 nan 0.000 0.442 217 T N -0.811 113.717 114.554 -0.044 0.000 3.081 217 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 217 T C -0.044 174.623 174.700 -0.055 0.000 1.100 217 T CA 0.170 62.245 62.100 -0.041 0.000 1.038 217 T CB 0.099 68.964 68.868 -0.005 0.000 0.962 217 T HN 0.174 nan 8.240 nan 0.000 0.516 218 K N 0.947 121.307 120.400 -0.066 0.000 3.274 218 K HA -0.105 4.215 4.320 -0.000 0.000 0.300 218 K C 0.031 176.700 176.600 0.115 0.000 1.230 218 K CA 0.620 56.877 56.287 -0.051 0.000 0.884 218 K CB -2.275 30.117 32.500 -0.180 0.000 1.242 218 K HN 0.284 nan 8.250 nan 0.000 0.467 219 S N -0.603 115.175 115.700 0.130 0.000 2.654 219 S HA 0.405 4.875 4.470 -0.000 0.000 0.283 219 S C -0.178 174.501 174.600 0.131 0.000 1.180 219 S CA -0.783 57.496 58.200 0.131 0.000 1.021 219 S CB 1.692 64.909 63.200 0.028 0.000 1.018 219 S HN 0.387 nan 8.310 nan 0.000 0.532 220 C N 3.905 123.178 119.300 -0.045 0.000 2.349 220 C HA 0.343 4.803 4.460 -0.000 0.000 0.348 220 C C 1.785 176.517 174.990 -0.430 0.000 1.223 220 C CA -0.480 58.239 59.018 -0.498 0.000 1.746 220 C CB -1.774 25.556 27.740 -0.683 0.000 2.360 220 C HN 0.732 nan 8.230 nan 0.000 0.533 221 V N 5.622 125.226 119.914 -0.517 0.000 2.358 221 V HA 0.111 4.231 4.120 -0.000 0.000 0.246 221 V C 1.305 177.074 176.094 -0.542 0.000 1.047 221 V CA 2.013 64.022 62.300 -0.485 0.000 1.035 221 V CB -0.784 30.622 31.823 -0.695 0.000 0.658 221 V HN 1.080 nan 8.190 nan 0.000 0.452 222 A N -1.679 120.709 122.820 -0.721 0.000 2.601 222 A HA 0.664 4.984 4.320 -0.000 0.000 0.291 222 A C -0.696 176.491 177.584 -0.662 0.000 1.075 222 A CA -0.342 51.264 52.037 -0.719 0.000 0.671 222 A CB 1.386 19.650 19.000 -1.227 0.000 1.277 222 A HN 0.037 nan 8.150 nan 0.000 0.417 223 T N 1.404 115.666 114.554 -0.486 0.000 2.840 223 T HA 0.553 4.903 4.350 -0.000 0.000 0.287 223 T C -1.138 173.358 174.700 -0.340 0.000 0.991 223 T CA -0.238 61.621 62.100 -0.402 0.000 0.964 223 T CB 0.749 69.444 68.868 -0.287 0.000 0.954 223 T HN 0.396 nan 8.240 nan 0.000 0.438 224 L N 3.626 124.596 121.223 -0.422 0.000 2.257 224 L HA 0.479 4.819 4.340 -0.000 0.000 0.290 224 L C 0.457 177.167 176.870 -0.266 0.000 1.044 224 L CA -0.016 54.519 54.840 -0.508 0.000 0.810 224 L CB 0.763 42.106 42.059 -1.193 0.000 1.193 224 L HN 0.612 nan 8.230 nan 0.000 0.425 225 E N 1.362 121.559 120.200 -0.005 0.000 2.212 225 E HA 0.752 5.102 4.350 -0.000 0.000 0.268 225 E C 0.276 177.020 176.600 0.240 0.000 0.902 225 E CA -0.118 56.339 56.400 0.094 0.000 0.779 225 E CB 2.190 31.910 29.700 0.034 0.000 1.172 225 E HN 0.697 nan 8.360 nan 0.000 0.409 226 G N 1.698 110.595 108.800 0.161 0.000 3.685 226 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.215 226 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.215 226 G C -0.108 174.785 174.900 -0.012 0.000 0.987 226 G CA -0.592 44.543 45.100 0.059 0.000 0.884 226 G HN 0.507 nan 8.290 nan 0.000 0.406 227 H N 1.304 120.439 119.070 0.107 0.000 2.871 227 H HA 0.258 4.814 4.556 -0.000 0.000 0.355 227 H C 1.329 176.657 175.328 0.000 0.000 1.092 227 H CA 0.424 56.492 56.048 0.033 0.000 1.420 227 H CB 1.067 30.838 29.762 0.014 0.000 1.400 227 H HN 0.064 nan 8.280 nan 0.000 0.604 228 M N 0.872 120.546 119.600 0.124 0.000 2.502 228 M HA 0.097 4.577 4.480 -0.000 0.000 0.243 228 M C 0.341 176.656 176.300 0.025 0.000 1.130 228 M CA 0.388 55.718 55.300 0.050 0.000 1.055 228 M CB -0.104 32.511 32.600 0.025 0.000 1.457 228 M HN 0.233 nan 8.290 nan 0.000 0.488 229 S N -0.178 115.529 115.700 0.012 0.000 2.819 229 S HA 0.423 4.893 4.470 -0.000 0.000 0.299 229 S C -0.397 174.160 174.600 -0.071 0.000 1.192 229 S CA -0.942 57.238 58.200 -0.034 0.000 0.847 229 S CB 1.039 64.200 63.200 -0.064 0.000 1.224 229 S HN 0.201 nan 8.310 nan 0.000 0.537 230 N N 1.798 120.446 118.700 -0.087 0.000 2.365 230 N HA 0.070 4.810 4.740 -0.000 0.000 0.265 230 N C -0.694 174.686 175.510 -0.215 0.000 1.288 230 N CA 0.228 53.217 53.050 -0.102 0.000 0.869 230 N CB -0.067 38.389 38.487 -0.053 0.000 1.071 230 N HN 0.313 nan 8.380 nan 0.000 0.480 231 V N 2.162 121.950 119.914 -0.210 0.000 2.455 231 V HA 0.034 4.154 4.120 -0.000 0.000 0.273 231 V C 1.317 177.242 176.094 -0.282 0.000 1.045 231 V CA -0.085 61.998 62.300 -0.363 0.000 0.976 231 V CB 1.037 32.706 31.823 -0.257 0.000 0.993 231 V HN 0.670 nan 8.190 nan 0.000 0.475 232 S N 4.345 119.785 115.700 -0.433 0.000 2.425 232 S HA 0.231 4.701 4.470 -0.000 0.000 0.225 232 S C 0.125 174.639 174.600 -0.143 0.000 1.024 232 S CA 0.729 58.799 58.200 -0.218 0.000 0.951 232 S CB -0.034 63.040 63.200 -0.210 0.000 0.796 232 S HN 0.806 nan 8.310 nan 0.000 0.498 233 F N -1.613 118.153 119.950 -0.306 0.000 2.807 233 F HA 0.790 5.317 4.527 -0.000 0.000 0.316 233 F C -1.412 174.210 175.800 -0.296 0.000 1.162 233 F CA -1.819 55.854 58.000 -0.545 0.000 0.910 233 F CB 0.787 39.170 39.000 -1.028 0.000 1.314 233 F HN -0.114 nan 8.300 nan 0.000 0.454 234 A N 1.281 124.171 122.820 0.118 0.000 2.532 234 A HA 0.782 5.102 4.320 -0.000 0.000 0.296 234 A C -1.589 176.095 177.584 0.167 0.000 1.058 234 A CA -0.180 51.939 52.037 0.137 0.000 0.729 234 A CB 1.019 20.003 19.000 -0.027 0.000 1.285 234 A HN 2.298 nan 8.150 nan 0.000 0.396 235 V N -1.129 118.875 119.914 0.150 0.000 3.159 235 V HA 0.862 4.982 4.120 -0.000 0.000 0.308 235 V C -0.834 175.319 176.094 0.098 0.000 1.190 235 V CA -1.237 61.161 62.300 0.162 0.000 1.037 235 V CB 1.690 33.675 31.823 0.269 0.000 1.060 235 V HN 0.760 nan 8.190 nan 0.000 0.437 236 F N 1.716 121.860 119.950 0.323 0.000 2.404 236 F HA 0.460 4.987 4.527 -0.000 0.000 0.345 236 F C 0.872 176.870 175.800 0.330 0.000 1.110 236 F CA -0.192 58.019 58.000 0.352 0.000 1.130 236 F CB 0.726 40.002 39.000 0.460 0.000 1.129 236 F HN 0.754 nan 8.300 nan 0.000 0.500 237 H N 6.005 125.343 119.070 0.446 0.000 2.790 237 H HA 0.061 4.617 4.556 -0.000 0.000 0.358 237 H C -1.593 173.927 175.328 0.319 0.000 1.103 237 H CA -1.333 54.908 56.048 0.320 0.000 1.426 237 H CB 1.713 31.619 29.762 0.240 0.000 1.424 237 H HN 0.360 nan 8.280 nan 0.000 0.599 238 P HA -0.012 nan 4.420 nan 0.000 0.227 238 P C 0.681 178.186 177.300 0.343 0.000 1.161 238 P CA 0.800 64.036 63.100 0.226 0.000 0.788 238 P CB 0.788 32.539 31.700 0.086 0.000 0.822 239 T N -0.985 113.937 114.554 0.614 0.000 3.125 239 T HA 0.221 4.571 4.350 -0.000 0.000 0.252 239 T C 0.767 175.618 174.700 0.252 0.000 0.981 239 T CA -0.118 62.209 62.100 0.379 0.000 1.069 239 T CB -0.123 68.941 68.868 0.326 0.000 1.091 239 T HN -0.078 nan 8.240 nan 0.000 0.460 240 L N 3.668 124.911 121.223 0.033 0.000 2.395 240 L HA 0.323 4.663 4.340 -0.000 0.000 0.269 240 L C -1.925 174.941 176.870 -0.006 0.000 1.133 240 L CA -2.033 52.691 54.840 -0.194 0.000 0.812 240 L CB 0.260 41.982 42.059 -0.560 0.000 1.125 240 L HN -0.014 nan 8.230 nan 0.000 0.452 241 P HA 0.158 nan 4.420 nan 0.000 0.226 241 P C -0.833 176.494 177.300 0.046 0.000 1.783 241 P CA 0.270 63.393 63.100 0.039 0.000 0.980 241 P CB -0.509 31.191 31.700 -0.001 0.000 1.967 242 I N -2.158 118.503 120.570 0.151 0.000 3.174 242 I HA 0.609 4.779 4.170 -0.000 0.000 0.313 242 I C -0.963 175.360 176.117 0.345 0.000 1.155 242 I CA -2.028 59.393 61.300 0.201 0.000 0.977 242 I CB 2.443 40.512 38.000 0.115 0.000 1.248 242 I HN -0.259 nan 8.210 nan 0.000 0.453 243 I N 3.527 124.299 120.570 0.337 0.000 2.545 243 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 243 I C -0.950 175.411 176.117 0.407 0.000 1.040 243 I CA -0.810 60.665 61.300 0.292 0.000 1.068 243 I CB 2.225 40.295 38.000 0.116 0.000 1.251 243 I HN 0.326 nan 8.210 nan 0.000 0.424 244 I N 4.619 125.399 120.570 0.350 0.000 2.406 244 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 244 I C 0.127 176.492 176.117 0.413 0.000 0.999 244 I CA -0.379 61.161 61.300 0.400 0.000 1.124 244 I CB 1.353 39.575 38.000 0.369 0.000 1.289 244 I HN 0.596 nan 8.210 nan 0.000 0.441 245 S N 3.806 119.764 115.700 0.430 0.000 2.634 245 S HA 0.985 5.455 4.470 -0.000 0.000 0.296 245 S C -0.331 174.184 174.600 -0.140 0.000 1.104 245 S CA -0.759 57.554 58.200 0.188 0.000 0.920 245 S CB 2.619 66.031 63.200 0.354 0.000 1.111 245 S HN 0.922 nan 8.310 nan 0.000 0.493 246 G N -0.267 107.862 108.800 -1.118 0.000 2.719 246 G HA2 0.620 4.580 3.960 -0.000 0.000 0.298 246 G HA3 0.620 4.580 3.960 -0.000 0.000 0.298 246 G C -1.174 173.024 174.900 -1.169 0.000 1.411 246 G CA -0.502 43.864 45.100 -1.222 0.000 0.991 246 G HN 0.978 nan 8.290 nan 0.000 0.509 247 S N -0.039 115.182 115.700 -0.799 0.000 2.661 247 S HA 0.432 4.902 4.470 -0.000 0.000 0.285 247 S C 0.562 174.864 174.600 -0.496 0.000 1.138 247 S CA -0.542 57.240 58.200 -0.697 0.000 0.855 247 S CB 1.824 64.562 63.200 -0.770 0.000 1.136 247 S HN 0.557 nan 8.310 nan 0.000 0.484 248 E N 0.541 120.467 120.200 -0.458 0.000 2.516 248 E HA -0.064 4.286 4.350 -0.000 0.000 0.199 248 E C 0.136 176.597 176.600 -0.233 0.000 1.069 248 E CA 0.630 56.765 56.400 -0.442 0.000 0.876 248 E CB -0.156 29.321 29.700 -0.372 0.000 0.843 248 E HN 0.671 nan 8.360 nan 0.000 0.530 249 D N -0.238 120.066 120.400 -0.160 0.000 2.324 249 D HA 0.006 4.646 4.640 -0.000 0.000 0.235 249 D C 1.267 177.545 176.300 -0.037 0.000 1.095 249 D CA 0.569 54.533 54.000 -0.060 0.000 0.871 249 D CB -0.083 40.724 40.800 0.010 0.000 0.906 249 D HN 0.143 nan 8.370 nan 0.000 0.522 250 G N -0.984 107.776 108.800 -0.066 0.000 2.162 250 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 250 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 250 G C 0.367 175.318 174.900 0.085 0.000 0.976 250 G CA 0.591 45.701 45.100 0.017 0.000 0.655 250 G HN 0.527 nan 8.290 nan 0.000 0.533 251 T N 0.909 115.504 114.554 0.068 0.000 2.925 251 T HA 0.672 5.022 4.350 -0.000 0.000 0.285 251 T C -0.186 174.617 174.700 0.171 0.000 1.021 251 T CA -0.495 61.679 62.100 0.124 0.000 1.042 251 T CB 1.512 70.450 68.868 0.117 0.000 1.037 251 T HN 0.134 nan 8.240 nan 0.000 0.481 252 L N 3.176 124.509 121.223 0.184 0.000 2.333 252 L HA 0.555 4.895 4.340 -0.000 0.000 0.280 252 L C -0.272 176.678 176.870 0.133 0.000 1.004 252 L CA -0.549 54.415 54.840 0.207 0.000 0.820 252 L CB 1.741 43.958 42.059 0.263 0.000 1.247 252 L HN 0.578 nan 8.230 nan 0.000 0.416 253 K N 4.454 124.944 120.400 0.151 0.000 2.324 253 K HA 0.633 4.953 4.320 -0.000 0.000 0.253 253 K C -0.950 175.614 176.600 -0.060 0.000 0.932 253 K CA -0.595 55.636 56.287 -0.093 0.000 0.799 253 K CB 2.941 35.233 32.500 -0.346 0.000 1.154 253 K HN 0.442 nan 8.250 nan 0.000 0.425 254 I N 2.633 123.073 120.570 -0.218 0.000 2.354 254 I HA 0.365 4.535 4.170 -0.000 0.000 0.292 254 I C -1.046 174.944 176.117 -0.212 0.000 0.989 254 I CA -0.761 60.509 61.300 -0.051 0.000 1.188 254 I CB 0.857 38.856 38.000 -0.001 0.000 1.342 254 I HN 0.433 nan 8.210 nan 0.000 0.457 255 W N 4.055 125.381 121.300 0.045 0.000 2.689 255 W HA 0.373 5.033 4.660 -0.000 0.000 0.340 255 W C 0.071 176.607 176.519 0.028 0.000 1.060 255 W CA -0.808 56.559 57.345 0.036 0.000 1.218 255 W CB 0.594 30.092 29.460 0.063 0.000 1.410 255 W HN 0.363 nan 8.180 nan 0.000 0.528 256 N N 0.657 119.491 118.700 0.223 0.000 2.442 256 N HA 0.108 4.848 4.740 -0.000 0.000 0.265 256 N C 0.934 176.471 175.510 0.045 0.000 1.138 256 N CA 0.151 53.247 53.050 0.077 0.000 0.956 256 N CB 0.844 39.339 38.487 0.012 0.000 1.067 256 N HN 0.429 nan 8.380 nan 0.000 0.474 257 S N 1.296 117.016 115.700 0.033 0.000 2.754 257 S HA 0.091 4.561 4.470 -0.000 0.000 0.223 257 S C 0.563 174.977 174.600 -0.310 0.000 0.951 257 S CA 0.012 58.217 58.200 0.007 0.000 0.954 257 S CB 0.044 63.362 63.200 0.198 0.000 0.780 257 S HN 0.454 nan 8.310 nan 0.000 0.509 258 S N -0.233 115.211 115.700 -0.426 0.000 2.882 258 S HA 0.161 4.631 4.470 -0.000 0.000 0.258 258 S C 1.539 175.807 174.600 -0.554 0.000 1.081 258 S CA 0.201 58.132 58.200 -0.449 0.000 0.886 258 S CB -0.191 62.901 63.200 -0.181 0.000 0.855 258 S HN 0.518 nan 8.310 nan 0.000 0.467 259 T N 0.262 114.600 114.554 -0.361 0.000 3.051 259 T HA 0.183 4.533 4.350 -0.000 0.000 0.255 259 T C -0.258 174.415 174.700 -0.045 0.000 1.085 259 T CA 0.159 62.159 62.100 -0.167 0.000 1.109 259 T CB -0.261 68.576 68.868 -0.051 0.000 0.921 259 T HN 0.487 nan 8.240 nan 0.000 0.488 260 Y N 0.690 121.045 120.300 0.092 0.000 4.409 260 Y HA -0.232 4.318 4.550 -0.000 0.000 0.228 260 Y C 0.302 176.334 175.900 0.220 0.000 1.108 260 Y CA 0.052 58.218 58.100 0.110 0.000 1.955 260 Y CB -1.856 36.606 38.460 0.002 0.000 1.615 260 Y HN 0.165 nan 8.280 nan 0.000 0.665 261 K N 0.368 120.953 120.400 0.307 0.000 2.164 261 K HA 0.566 4.886 4.320 -0.000 0.000 0.258 261 K C -0.144 176.567 176.600 0.185 0.000 0.951 261 K CA -0.923 55.513 56.287 0.249 0.000 0.844 261 K CB 2.570 35.133 32.500 0.105 0.000 1.099 261 K HN -0.010 nan 8.250 nan 0.000 0.435 262 V N 3.857 123.748 119.914 -0.039 0.000 2.509 262 V HA -0.079 4.041 4.120 -0.000 0.000 0.297 262 V C 0.725 176.639 176.094 -0.300 0.000 1.014 262 V CA 0.833 62.804 62.300 -0.549 0.000 1.127 262 V CB 0.403 31.719 31.823 -0.846 0.000 0.925 262 V HN 0.761 nan 8.190 nan 0.000 0.480 263 E N 4.944 124.978 120.200 -0.276 0.000 2.216 263 E HA 0.146 4.496 4.350 -0.000 0.000 0.192 263 E C 0.532 177.032 176.600 -0.166 0.000 0.973 263 E CA 0.523 56.830 56.400 -0.155 0.000 0.851 263 E CB 0.389 30.035 29.700 -0.090 0.000 0.804 263 E HN 0.742 nan 8.360 nan 0.000 0.477 264 K N -0.483 119.777 120.400 -0.233 0.000 2.598 264 K HA 0.206 4.526 4.320 -0.000 0.000 0.271 264 K C -1.688 174.786 176.600 -0.210 0.000 0.947 264 K CA -0.212 55.969 56.287 -0.176 0.000 0.854 264 K CB 1.662 34.103 32.500 -0.097 0.000 1.401 264 K HN -0.223 nan 8.250 nan 0.000 0.415 265 T N 4.080 118.537 114.554 -0.162 0.000 2.809 265 T HA 0.476 4.826 4.350 -0.000 0.000 0.284 265 T C -0.821 173.840 174.700 -0.066 0.000 0.992 265 T CA -0.631 61.385 62.100 -0.140 0.000 0.957 265 T CB 0.364 69.135 68.868 -0.162 0.000 0.942 265 T HN 0.321 nan 8.240 nan 0.000 0.439 266 L N 3.568 124.778 121.223 -0.022 0.000 2.346 266 L HA 0.593 4.933 4.340 -0.000 0.000 0.276 266 L C 0.237 177.117 176.870 0.017 0.000 1.006 266 L CA -0.863 53.979 54.840 0.003 0.000 0.817 266 L CB 1.849 43.928 42.059 0.035 0.000 1.272 266 L HN 0.608 nan 8.230 nan 0.000 0.421 267 N N 1.263 119.954 118.700 -0.015 0.000 2.664 267 N HA 0.209 4.949 4.740 -0.000 0.000 0.257 267 N C 0.608 176.063 175.510 -0.093 0.000 1.108 267 N CA -0.408 52.623 53.050 -0.031 0.000 0.822 267 N CB 1.442 39.910 38.487 -0.031 0.000 1.199 267 N HN 0.548 nan 8.380 nan 0.000 0.529 268 V N 1.240 121.056 119.914 -0.164 0.000 3.330 268 V HA 0.209 4.329 4.120 -0.000 0.000 0.273 268 V C 1.292 177.213 176.094 -0.289 0.000 1.179 268 V CA 0.888 63.037 62.300 -0.251 0.000 1.174 268 V CB -1.199 30.397 31.823 -0.379 0.000 0.794 268 V HN 0.756 nan 8.190 nan 0.000 0.527 269 G N 0.710 109.371 108.800 -0.232 0.000 2.246 269 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.273 269 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.273 269 G C 0.123 174.895 174.900 -0.214 0.000 1.055 269 G CA 0.589 45.579 45.100 -0.183 0.000 0.851 269 G HN 0.662 nan 8.290 nan 0.000 0.500 270 L N -1.185 119.856 121.223 -0.303 0.000 3.122 270 L HA 0.314 4.654 4.340 -0.000 0.000 0.274 270 L C 0.903 177.770 176.870 -0.006 0.000 1.222 270 L CA -0.139 54.568 54.840 -0.222 0.000 1.028 270 L CB -0.212 41.586 42.059 -0.435 0.000 1.386 270 L HN 0.376 nan 8.230 nan 0.000 0.578 271 E N 0.269 120.474 120.200 0.007 0.000 3.547 271 E HA -0.179 4.171 4.350 -0.000 0.000 0.211 271 E C -0.095 176.574 176.600 0.116 0.000 1.390 271 E CA 0.312 56.749 56.400 0.061 0.000 2.087 271 E CB -0.509 29.238 29.700 0.078 0.000 2.099 271 E HN 0.284 nan 8.360 nan 0.000 0.530 272 R N 0.720 121.212 120.500 -0.015 0.000 2.585 272 R HA 0.215 4.555 4.340 -0.000 0.000 0.275 272 R C 0.440 176.464 176.300 -0.461 0.000 1.018 272 R CA 0.451 56.352 56.100 -0.331 0.000 1.072 272 R CB 0.317 30.253 30.300 -0.608 0.000 0.953 272 R HN 0.302 nan 8.270 nan 0.000 0.419 273 S N 1.647 116.963 115.700 -0.639 0.000 2.480 273 S HA 0.233 4.703 4.470 -0.000 0.000 0.286 273 S C -0.165 173.978 174.600 -0.762 0.000 1.180 273 S CA -0.708 56.977 58.200 -0.860 0.000 1.075 273 S CB 0.467 63.260 63.200 -0.679 0.000 0.996 273 S HN 0.656 nan 8.310 nan 0.000 0.487 274 W N 2.873 124.081 121.300 -0.154 0.000 2.942 274 W HA 0.286 4.946 4.660 -0.000 0.000 0.260 274 W C 0.493 177.093 176.519 0.134 0.000 1.101 274 W CA -0.482 56.873 57.345 0.016 0.000 1.436 274 W CB 0.091 29.555 29.460 0.006 0.000 0.883 274 W HN 0.820 nan 8.180 nan 0.000 0.646 275 C N -0.454 118.977 119.300 0.219 0.000 3.171 275 C HA 0.894 5.354 4.460 -0.000 0.000 0.308 275 C C -0.789 173.786 174.990 -0.692 0.000 1.334 275 C CA -1.226 57.715 59.018 -0.128 0.000 1.473 275 C CB 1.182 28.917 27.740 -0.008 0.000 1.866 275 C HN 0.097 nan 8.230 nan 0.000 0.465 276 I N 0.379 120.440 120.570 -0.848 0.000 3.006 276 I HA 0.897 5.067 4.170 -0.000 0.000 0.306 276 I C -0.690 175.282 176.117 -0.242 0.000 1.250 276 I CA -0.309 60.519 61.300 -0.787 0.000 0.996 276 I CB 2.139 39.221 38.000 -1.531 0.000 1.261 276 I HN 1.568 nan 8.210 nan 0.000 0.442 277 A N 2.244 125.050 122.820 -0.024 0.000 2.594 277 A HA 0.794 5.114 4.320 -0.000 0.000 0.296 277 A C -1.143 176.682 177.584 0.401 0.000 1.061 277 A CA -0.028 52.133 52.037 0.207 0.000 0.689 277 A CB 1.361 20.488 19.000 0.212 0.000 1.280 277 A HN 0.881 nan 8.150 nan 0.000 0.406 278 T N -0.990 113.750 114.554 0.311 0.000 2.876 278 T HA 0.569 4.919 4.350 -0.000 0.000 0.289 278 T C -0.313 174.316 174.700 -0.118 0.000 1.014 278 T CA -0.535 61.610 62.100 0.076 0.000 0.986 278 T CB 1.194 70.020 68.868 -0.070 0.000 1.021 278 T HN 0.807 nan 8.240 nan 0.000 0.458 279 H N 4.877 123.584 119.070 -0.605 0.000 3.107 279 H HA 0.090 4.646 4.556 -0.000 0.000 0.301 279 H C -1.281 173.970 175.328 -0.128 0.000 0.981 279 H CA -1.201 54.539 56.048 -0.512 0.000 1.443 279 H CB 1.267 30.772 29.762 -0.428 0.000 1.479 279 H HN 0.476 nan 8.280 nan 0.000 0.564 280 P HA -0.131 nan 4.420 nan 0.000 0.219 280 P C 0.809 178.124 177.300 0.025 0.000 1.144 280 P CA 1.282 64.316 63.100 -0.111 0.000 0.806 280 P CB 0.345 31.960 31.700 -0.141 0.000 0.771 281 T N -2.225 112.443 114.554 0.190 0.000 3.040 281 T HA 0.363 4.713 4.350 -0.000 0.000 0.266 281 T C 1.168 176.028 174.700 0.267 0.000 1.005 281 T CA 0.419 62.671 62.100 0.254 0.000 0.906 281 T CB -0.016 69.020 68.868 0.281 0.000 1.082 281 T HN 0.244 nan 8.240 nan 0.000 0.531 282 G N 2.789 111.774 108.800 0.309 0.000 2.160 282 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.251 282 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.251 282 G C 0.167 175.113 174.900 0.078 0.000 1.008 282 G CA -0.012 45.218 45.100 0.215 0.000 0.724 282 G HN 0.549 nan 8.290 nan 0.000 0.514 283 R N 0.906 121.348 120.500 -0.096 0.000 2.480 283 R HA 0.261 4.601 4.340 -0.000 0.000 0.303 283 R C 1.294 177.354 176.300 -0.399 0.000 0.985 283 R CA 0.717 56.635 56.100 -0.303 0.000 1.051 283 R CB -0.063 29.881 30.300 -0.594 0.000 0.935 283 R HN 0.402 nan 8.270 nan 0.000 0.410 284 K N 3.063 123.254 120.400 -0.348 0.000 3.193 284 K HA -0.322 3.998 4.320 -0.000 0.000 0.294 284 K C -0.483 175.909 176.600 -0.346 0.000 1.185 284 K CA 1.060 57.049 56.287 -0.497 0.000 0.866 284 K CB -1.229 30.586 32.500 -1.141 0.000 1.227 284 K HN 0.914 nan 8.250 nan 0.000 0.467 285 N N -0.924 117.719 118.700 -0.095 0.000 2.716 285 N HA -0.231 4.509 4.740 -0.000 0.000 0.250 285 N C -0.444 175.189 175.510 0.206 0.000 1.033 285 N CA 1.336 54.478 53.050 0.152 0.000 0.727 285 N CB -1.582 36.952 38.487 0.078 0.000 0.950 285 N HN 0.434 nan 8.380 nan 0.000 0.541 286 Y N 0.192 120.521 120.300 0.048 0.000 2.511 286 Y HA 0.242 4.792 4.550 -0.000 0.000 0.332 286 Y C 1.646 177.502 175.900 -0.073 0.000 1.177 286 Y CA -0.489 57.587 58.100 -0.041 0.000 1.422 286 Y CB 0.552 38.861 38.460 -0.251 0.000 1.271 286 Y HN 0.201 nan 8.280 nan 0.000 0.550 287 I N 0.323 121.129 120.570 0.394 0.000 2.994 287 I HA 0.981 5.151 4.170 -0.000 0.000 0.306 287 I C -1.577 174.881 176.117 0.567 0.000 1.195 287 I CA -1.033 60.539 61.300 0.454 0.000 1.001 287 I CB 2.461 40.663 38.000 0.338 0.000 1.244 287 I HN 0.526 nan 8.210 nan 0.000 0.437 288 A N 2.683 125.781 122.820 0.464 0.000 2.520 288 A HA 0.813 5.133 4.320 -0.000 0.000 0.298 288 A C -1.164 176.494 177.584 0.124 0.000 1.051 288 A CA -0.491 51.671 52.037 0.209 0.000 0.690 288 A CB 1.892 20.793 19.000 -0.164 0.000 1.281 288 A HN 0.854 nan 8.150 nan 0.000 0.402 289 S N 0.525 116.347 115.700 0.203 0.000 2.547 289 S HA 0.728 5.198 4.470 -0.000 0.000 0.281 289 S C -0.021 174.672 174.600 0.156 0.000 1.118 289 S CA 0.174 58.425 58.200 0.085 0.000 0.947 289 S CB 1.408 64.690 63.200 0.137 0.000 1.053 289 S HN 1.832 nan 8.310 nan 0.000 0.482 290 G N 2.972 111.742 108.800 -0.050 0.000 2.348 290 G HA2 0.650 4.610 3.960 -0.000 0.000 0.312 290 G HA3 0.650 4.610 3.960 -0.000 0.000 0.312 290 G C -1.135 173.717 174.900 -0.079 0.000 1.126 290 G CA -0.408 44.758 45.100 0.111 0.000 0.865 290 G HN 0.524 nan 8.290 nan 0.000 0.474 291 F N -0.395 119.694 119.950 0.232 0.000 2.679 291 F HA 0.354 4.881 4.527 -0.000 0.000 0.341 291 F C 1.152 177.129 175.800 0.295 0.000 1.095 291 F CA -0.988 57.136 58.000 0.207 0.000 1.004 291 F CB 1.522 40.565 39.000 0.072 0.000 1.388 291 F HN 0.335 nan 8.300 nan 0.000 0.505 292 D N -0.146 120.542 120.400 0.481 0.000 2.149 292 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 292 D C 0.812 177.245 176.300 0.222 0.000 0.990 292 D CA 1.518 55.739 54.000 0.369 0.000 0.839 292 D CB -0.084 40.891 40.800 0.292 0.000 0.948 292 D HN 0.314 nan 8.370 nan 0.000 0.460 293 N N -0.311 118.501 118.700 0.188 0.000 2.238 293 N HA 0.289 5.029 4.740 -0.000 0.000 0.222 293 N C 0.754 176.296 175.510 0.052 0.000 1.133 293 N CA 0.239 53.341 53.050 0.087 0.000 0.854 293 N CB 1.809 40.309 38.487 0.022 0.000 1.041 293 N HN 0.163 nan 8.380 nan 0.000 0.510 294 G N 0.396 109.280 108.800 0.140 0.000 2.302 294 G HA2 0.168 4.128 3.960 -0.000 0.000 0.276 294 G HA3 0.168 4.128 3.960 -0.000 0.000 0.276 294 G C -1.716 173.334 174.900 0.250 0.000 1.316 294 G CA -0.810 44.345 45.100 0.093 0.000 0.988 294 G HN 0.117 nan 8.290 nan 0.000 0.479 295 F N -1.506 118.416 119.950 -0.048 0.000 2.650 295 F HA 0.928 5.455 4.527 -0.000 0.000 0.320 295 F C -0.277 175.439 175.800 -0.140 0.000 1.091 295 F CA -0.629 57.394 58.000 0.038 0.000 0.962 295 F CB 1.923 40.901 39.000 -0.036 0.000 1.363 295 F HN 0.847 nan 8.300 nan 0.000 0.482 296 T N 1.070 115.675 114.554 0.085 0.000 2.912 296 T HA 0.677 5.027 4.350 -0.000 0.000 0.299 296 T C -1.989 172.789 174.700 0.130 0.000 1.052 296 T CA -0.503 61.537 62.100 -0.100 0.000 0.996 296 T CB 1.509 70.311 68.868 -0.109 0.000 1.070 296 T HN 0.704 nan 8.240 nan 0.000 0.465 297 V N 6.058 126.023 119.914 0.085 0.000 2.417 297 V HA 0.604 4.724 4.120 -0.000 0.000 0.291 297 V C -0.332 175.870 176.094 0.181 0.000 1.024 297 V CA -0.670 61.714 62.300 0.140 0.000 0.861 297 V CB 1.264 33.091 31.823 0.006 0.000 0.985 297 V HN 0.764 nan 8.190 nan 0.000 0.436 298 L N 3.016 124.392 121.223 0.255 0.000 2.341 298 L HA 0.699 5.039 4.340 -0.000 0.000 0.267 298 L C -0.030 177.070 176.870 0.383 0.000 1.009 298 L CA -0.526 54.477 54.840 0.272 0.000 0.819 298 L CB 2.217 44.406 42.059 0.216 0.000 1.323 298 L HN 0.604 nan 8.230 nan 0.000 0.425 299 S N 0.548 116.440 115.700 0.320 0.000 2.454 299 S HA 0.547 5.017 4.470 -0.000 0.000 0.306 299 S C 0.637 175.326 174.600 0.149 0.000 1.100 299 S CA -0.674 57.666 58.200 0.234 0.000 1.087 299 S CB 1.058 64.343 63.200 0.142 0.000 1.019 299 S HN 0.619 nan 8.310 nan 0.000 0.480 300 L N 3.858 125.150 121.223 0.115 0.000 2.253 300 L HA 0.394 4.734 4.340 -0.000 0.000 0.205 300 L C 1.393 178.287 176.870 0.039 0.000 1.078 300 L CA 0.429 55.314 54.840 0.076 0.000 0.805 300 L CB -0.391 41.699 42.059 0.051 0.000 0.963 300 L HN 0.759 nan 8.230 nan 0.000 0.459 301 G N -1.184 107.634 108.800 0.029 0.000 2.682 301 G HA2 0.109 4.069 3.960 -0.000 0.000 0.303 301 G HA3 0.109 4.069 3.960 -0.000 0.000 0.303 301 G C -1.565 173.361 174.900 0.044 0.000 1.341 301 G CA -0.583 44.547 45.100 0.050 0.000 0.784 301 G HN -0.016 nan 8.290 nan 0.000 0.497 302 N N -0.212 118.528 118.700 0.068 0.000 2.518 302 N HA 0.015 4.755 4.740 -0.000 0.000 0.266 302 N C -0.140 175.394 175.510 0.041 0.000 1.196 302 N CA -0.070 53.011 53.050 0.052 0.000 0.947 302 N CB 1.584 40.107 38.487 0.060 0.000 1.098 302 N HN 0.402 nan 8.380 nan 0.000 0.450 303 D N 1.544 121.955 120.400 0.018 0.000 2.305 303 D HA -0.079 4.561 4.640 -0.000 0.000 0.206 303 D C 0.008 176.309 176.300 0.001 0.000 0.974 303 D CA 0.418 54.425 54.000 0.011 0.000 0.871 303 D CB 0.195 40.989 40.800 -0.010 0.000 0.947 303 D HN 0.735 nan 8.370 nan 0.000 0.516 304 E N 1.996 122.173 120.200 -0.039 0.000 2.413 304 E HA 0.107 4.457 4.350 -0.000 0.000 0.263 304 E C -2.069 174.389 176.600 -0.237 0.000 1.015 304 E CA -1.398 54.851 56.400 -0.252 0.000 0.916 304 E CB 0.063 29.527 29.700 -0.393 0.000 0.947 304 E HN 0.123 nan 8.360 nan 0.000 0.440 305 P HA 0.006 nan 4.420 nan 0.000 0.269 305 P C -0.658 176.571 177.300 -0.118 0.000 1.209 305 P CA -0.249 62.758 63.100 -0.155 0.000 0.776 305 P CB 0.652 32.265 31.700 -0.145 0.000 0.876 306 T N 4.008 118.551 114.554 -0.019 0.000 2.853 306 T HA 0.479 4.829 4.350 -0.000 0.000 0.317 306 T C 0.060 174.821 174.700 0.102 0.000 1.059 306 T CA -0.174 61.932 62.100 0.011 0.000 0.954 306 T CB -0.258 68.594 68.868 -0.027 0.000 0.994 306 T HN 0.284 nan 8.240 nan 0.000 0.479 307 L N 0.126 121.418 121.223 0.115 0.000 2.510 307 L HA 1.031 5.371 4.340 -0.000 0.000 0.252 307 L C -0.511 176.479 176.870 0.200 0.000 1.091 307 L CA -1.264 53.696 54.840 0.200 0.000 0.888 307 L CB 1.167 43.357 42.059 0.218 0.000 1.507 307 L HN 0.353 nan 8.230 nan 0.000 0.407 308 S N -0.272 115.584 115.700 0.260 0.000 2.556 308 S HA 0.731 5.201 4.470 -0.000 0.000 0.280 308 S C -2.237 172.588 174.600 0.375 0.000 1.141 308 S CA -0.405 57.988 58.200 0.321 0.000 0.883 308 S CB 1.214 64.636 63.200 0.370 0.000 1.103 308 S HN 0.928 nan 8.310 nan 0.000 0.453 309 L N 4.958 126.338 121.223 0.263 0.000 2.305 309 L HA 0.603 4.943 4.340 -0.000 0.000 0.284 309 L C -0.202 176.630 176.870 -0.063 0.000 1.013 309 L CA -0.287 54.623 54.840 0.116 0.000 0.819 309 L CB 1.296 43.409 42.059 0.091 0.000 1.227 309 L HN 0.829 nan 8.230 nan 0.000 0.417 310 D N 4.916 125.099 120.400 -0.361 0.000 2.398 310 D HA 0.209 4.849 4.640 -0.000 0.000 0.247 310 D C -1.975 174.212 176.300 -0.187 0.000 1.227 310 D CA -1.597 52.099 54.000 -0.506 0.000 0.980 310 D CB 0.289 40.649 40.800 -0.733 0.000 1.106 310 D HN 0.319 nan 8.370 nan 0.000 0.493 311 P HA -0.174 nan 4.420 nan 0.000 0.216 311 P C 1.611 178.882 177.300 -0.048 0.000 1.157 311 P CA 1.000 64.068 63.100 -0.053 0.000 0.880 311 P CB 0.140 31.812 31.700 -0.047 0.000 0.791 312 V N -2.020 117.851 119.914 -0.072 0.000 2.515 312 V HA 0.017 4.137 4.120 -0.000 0.000 0.250 312 V C 1.703 177.752 176.094 -0.074 0.000 1.058 312 V CA 2.075 64.338 62.300 -0.061 0.000 1.064 312 V CB -1.085 30.702 31.823 -0.060 0.000 0.675 312 V HN 0.446 nan 8.190 nan 0.000 0.461 313 G N -0.235 108.509 108.800 -0.094 0.000 2.174 313 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.140 313 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.140 313 G C -0.092 174.749 174.900 -0.099 0.000 1.031 313 G CA -0.499 44.527 45.100 -0.123 0.000 0.728 313 G HN 0.433 nan 8.290 nan 0.000 0.496 314 K N 0.615 120.972 120.400 -0.072 0.000 2.267 314 K HA 0.553 4.873 4.320 -0.000 0.000 0.282 314 K C -0.270 176.370 176.600 0.066 0.000 1.078 314 K CA -0.655 55.626 56.287 -0.010 0.000 0.903 314 K CB 1.733 34.231 32.500 -0.003 0.000 1.111 314 K HN 0.135 nan 8.250 nan 0.000 0.475 315 L N 4.042 125.344 121.223 0.132 0.000 2.312 315 L HA 0.365 4.705 4.340 -0.000 0.000 0.281 315 L C -0.983 176.084 176.870 0.328 0.000 1.070 315 L CA -0.375 54.622 54.840 0.262 0.000 0.805 315 L CB 1.512 43.734 42.059 0.271 0.000 1.174 315 L HN 0.304 nan 8.230 nan 0.000 0.434 316 V N 4.835 124.961 119.914 0.353 0.000 2.638 316 V HA 0.591 4.711 4.120 -0.000 0.000 0.306 316 V C -1.087 175.160 176.094 0.254 0.000 1.052 316 V CA -0.373 61.999 62.300 0.120 0.000 0.885 316 V CB 1.486 33.297 31.823 -0.020 0.000 0.999 316 V HN 0.931 nan 8.190 nan 0.000 0.424 317 W N 3.448 124.742 121.300 -0.011 0.000 3.042 317 W HA 0.853 5.513 4.660 -0.000 0.000 0.342 317 W C -0.565 175.981 176.519 0.045 0.000 1.240 317 W CA -0.838 56.519 57.345 0.020 0.000 1.166 317 W CB 1.124 30.606 29.460 0.038 0.000 1.469 317 W HN 0.590 nan 8.180 nan 0.000 0.579 318 S N 1.081 116.934 115.700 0.256 0.000 2.607 318 S HA 0.850 5.319 4.470 -0.000 0.000 0.303 318 S C 0.537 175.339 174.600 0.336 0.000 1.086 318 S CA -0.086 58.210 58.200 0.160 0.000 0.995 318 S CB 1.154 64.377 63.200 0.039 0.000 1.084 318 S HN 2.355 nan 8.310 nan 0.000 0.507 319 G N 1.032 110.023 108.800 0.318 0.000 2.622 319 G HA2 0.250 4.210 3.960 -0.000 0.000 0.307 319 G HA3 0.250 4.210 3.960 -0.000 0.000 0.307 319 G C 0.740 175.834 174.900 0.323 0.000 1.226 319 G CA 0.412 45.695 45.100 0.304 0.000 0.997 319 G HN 2.791 nan 8.290 nan 0.000 0.551 320 G N -0.822 108.104 108.800 0.210 0.000 3.172 320 G HA2 0.368 4.328 3.960 -0.000 0.000 0.686 320 G HA3 0.368 4.328 3.960 -0.000 0.000 0.686 320 G C 0.108 175.039 174.900 0.051 0.000 1.009 320 G CA 0.720 45.882 45.100 0.103 0.000 0.787 320 G HN 2.252 nan 8.290 nan 0.000 0.559 321 K N 2.261 122.683 120.400 0.038 0.000 2.599 321 K HA -0.117 4.203 4.320 -0.000 0.000 0.275 321 K C 1.003 177.601 176.600 -0.003 0.000 0.983 321 K CA 0.755 57.065 56.287 0.038 0.000 1.076 321 K CB 0.324 32.855 32.500 0.051 0.000 0.822 321 K HN 1.509 nan 8.250 nan 0.000 0.485 322 N N -0.366 118.340 118.700 0.010 0.000 2.948 322 N HA -0.211 4.529 4.740 -0.000 0.000 0.239 322 N C -1.276 174.232 175.510 -0.003 0.000 0.954 322 N CA 1.324 54.365 53.050 -0.015 0.000 0.941 322 N CB -0.917 37.548 38.487 -0.037 0.000 1.101 322 N HN 0.861 nan 8.380 nan 0.000 0.579 323 A N -0.365 122.479 122.820 0.040 0.000 2.498 323 A HA 0.856 5.176 4.320 -0.000 0.000 0.298 323 A C -0.099 177.584 177.584 0.166 0.000 1.075 323 A CA 0.153 52.264 52.037 0.123 0.000 0.714 323 A CB 1.538 20.639 19.000 0.168 0.000 1.299 323 A HN 0.581 nan 8.150 nan 0.000 0.407 324 A N 0.507 123.440 122.820 0.189 0.000 2.371 324 A HA 0.574 4.894 4.320 -0.000 0.000 0.257 324 A C 1.490 179.208 177.584 0.223 0.000 1.089 324 A CA 0.294 52.454 52.037 0.206 0.000 0.794 324 A CB -0.031 19.088 19.000 0.199 0.000 1.029 324 A HN 2.262 nan 8.150 nan 0.000 0.488 325 A N 1.442 124.416 122.820 0.257 0.000 1.958 325 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 325 A C 2.183 179.870 177.584 0.173 0.000 1.178 325 A CA 2.661 54.863 52.037 0.276 0.000 0.642 325 A CB -0.967 18.353 19.000 0.534 0.000 0.816 325 A HN 1.770 nan 8.150 nan 0.000 0.453 326 S N -0.644 115.149 115.700 0.154 0.000 2.593 326 S HA 0.077 4.547 4.470 -0.000 0.000 0.217 326 S C -0.172 174.415 174.600 -0.022 0.000 0.966 326 S CA -0.171 58.070 58.200 0.067 0.000 0.914 326 S CB -0.220 63.027 63.200 0.077 0.000 0.776 326 S HN 0.447 nan 8.310 nan 0.000 0.523 327 D N 2.303 122.696 120.400 -0.012 0.000 2.264 327 D HA 0.337 4.977 4.640 -0.000 0.000 0.250 327 D C -0.172 175.839 176.300 -0.481 0.000 1.113 327 D CA -0.207 53.656 54.000 -0.228 0.000 0.871 327 D CB 1.144 41.913 40.800 -0.053 0.000 1.167 327 D HN 0.190 nan 8.370 nan 0.000 0.447 328 I N 2.505 122.540 120.570 -0.892 0.000 2.377 328 I HA 0.405 4.575 4.170 -0.000 0.000 0.293 328 I C -0.139 175.065 176.117 -1.520 0.000 0.987 328 I CA -0.532 60.170 61.300 -0.997 0.000 1.185 328 I CB 0.503 37.937 38.000 -0.942 0.000 1.341 328 I HN 0.163 nan 8.210 nan 0.000 0.455 329 F N 2.664 121.988 119.950 -1.044 0.000 2.640 329 F HA 0.741 5.268 4.527 -0.000 0.000 0.324 329 F C 0.371 175.378 175.800 -1.322 0.000 1.077 329 F CA -0.620 56.639 58.000 -1.234 0.000 0.965 329 F CB 2.080 40.182 39.000 -1.496 0.000 1.351 329 F HN 0.266 nan 8.300 nan 0.000 0.487 330 T N 0.299 114.395 114.554 -0.763 0.000 2.868 330 T HA 0.852 5.202 4.350 -0.000 0.000 0.306 330 T C -1.603 173.044 174.700 -0.088 0.000 1.224 330 T CA -0.876 60.988 62.100 -0.393 0.000 1.012 330 T CB 2.095 70.814 68.868 -0.247 0.000 1.221 330 T HN 0.937 nan 8.240 nan 0.000 0.499 331 A N 1.005 123.904 122.820 0.131 0.000 2.594 331 A HA 0.702 5.022 4.320 -0.000 0.000 0.296 331 A C -1.751 175.892 177.584 0.099 0.000 1.056 331 A CA -0.608 51.521 52.037 0.155 0.000 0.693 331 A CB 1.160 20.337 19.000 0.295 0.000 1.278 331 A HN 0.655 nan 8.150 nan 0.000 0.408 332 V N 2.549 122.483 119.914 0.034 0.000 2.435 332 V HA 0.391 4.511 4.120 -0.000 0.000 0.290 332 V C -0.074 175.988 176.094 -0.052 0.000 1.030 332 V CA -0.323 61.969 62.300 -0.013 0.000 0.881 332 V CB 1.550 33.362 31.823 -0.018 0.000 0.983 332 V HN 0.686 nan 8.190 nan 0.000 0.445 333 I N 6.166 126.664 120.570 -0.120 0.000 2.347 333 I HA 0.257 4.427 4.170 -0.000 0.000 0.294 333 I C 1.404 177.449 176.117 -0.119 0.000 1.090 333 I CA -0.390 60.800 61.300 -0.182 0.000 1.314 333 I CB 0.641 38.371 38.000 -0.451 0.000 1.423 333 I HN 0.633 nan 8.210 nan 0.000 0.503 334 R N 4.593 125.055 120.500 -0.063 0.000 2.090 334 R HA 0.019 4.359 4.340 -0.000 0.000 0.228 334 R C 1.473 177.761 176.300 -0.020 0.000 1.110 334 R CA 0.978 57.057 56.100 -0.035 0.000 0.973 334 R CB -0.345 29.943 30.300 -0.019 0.000 0.869 334 R HN 0.988 nan 8.270 nan 0.000 0.440 335 G N 1.257 110.058 108.800 0.001 0.000 2.148 335 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.203 335 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.203 335 G C 0.282 175.201 174.900 0.032 0.000 0.993 335 G CA 0.324 45.448 45.100 0.039 0.000 0.661 335 G HN 0.584 nan 8.290 nan 0.000 0.518 336 N N -0.237 118.475 118.700 0.020 0.000 2.171 336 N HA 0.102 4.842 4.740 -0.000 0.000 0.212 336 N C -0.045 175.473 175.510 0.014 0.000 1.184 336 N CA -0.344 52.714 53.050 0.013 0.000 0.888 336 N CB 0.409 38.898 38.487 0.004 0.000 1.038 336 N HN 0.369 nan 8.380 nan 0.000 0.517 337 E N 2.091 122.305 120.200 0.023 0.000 2.558 337 E HA -0.066 4.284 4.350 -0.000 0.000 0.255 337 E C 0.419 177.029 176.600 0.016 0.000 0.968 337 E CA 0.262 56.674 56.400 0.019 0.000 0.939 337 E CB 0.845 30.564 29.700 0.032 0.000 0.921 337 E HN 0.323 nan 8.360 nan 0.000 0.477 338 E N 1.783 121.986 120.200 0.006 0.000 2.107 338 E HA -0.043 4.307 4.350 -0.000 0.000 0.191 338 E C 0.866 177.467 176.600 0.002 0.000 0.982 338 E CA 0.268 56.669 56.400 0.002 0.000 0.809 338 E CB -0.386 29.312 29.700 -0.002 0.000 0.756 338 E HN 0.354 nan 8.360 nan 0.000 0.459 339 V N 3.050 122.966 119.914 0.003 0.000 3.050 339 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 339 V C 1.077 177.177 176.094 0.010 0.000 1.758 339 V CA 0.976 63.278 62.300 0.004 0.000 1.620 339 V CB 0.042 31.864 31.823 -0.002 0.000 0.945 339 V HN 0.158 nan 8.190 nan 0.000 0.534 340 E N 1.923 122.133 120.200 0.017 0.000 2.351 340 E HA 0.121 4.471 4.350 -0.000 0.000 0.255 340 E C 0.882 177.511 176.600 0.048 0.000 1.188 340 E CA -0.384 56.028 56.400 0.020 0.000 0.940 340 E CB 0.570 30.283 29.700 0.022 0.000 1.094 340 E HN 0.710 nan 8.360 nan 0.000 0.474 341 Q N 0.429 120.246 119.800 0.029 0.000 2.297 341 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 341 Q C 0.684 176.783 176.000 0.165 0.000 0.962 341 Q CA 1.389 57.225 55.803 0.055 0.000 0.879 341 Q CB 0.306 29.012 28.738 -0.053 0.000 0.947 341 Q HN 0.425 nan 8.270 nan 0.000 0.462 342 D N -1.178 119.304 120.400 0.136 0.000 2.360 342 D HA 0.011 4.651 4.640 -0.000 0.000 0.210 342 D C -0.090 176.395 176.300 0.308 0.000 1.047 342 D CA 0.098 54.207 54.000 0.182 0.000 0.854 342 D CB 0.273 41.116 40.800 0.071 0.000 0.936 342 D HN 0.023 nan 8.370 nan 0.000 0.514 343 E N 1.715 122.053 120.200 0.230 0.000 2.214 343 E HA 0.382 4.732 4.350 -0.000 0.000 0.274 343 E C -2.408 174.174 176.600 -0.030 0.000 0.977 343 E CA -2.394 54.092 56.400 0.143 0.000 0.827 343 E CB 1.875 31.608 29.700 0.055 0.000 1.130 343 E HN -0.015 nan 8.360 nan 0.000 0.394 344 P HA 0.138 nan 4.420 nan 0.000 0.277 344 P C -0.739 176.395 177.300 -0.276 0.000 1.240 344 P CA -0.554 62.136 63.100 -0.683 0.000 0.798 344 P CB 0.751 32.066 31.700 -0.642 0.000 0.979 345 L N 1.227 122.313 121.223 -0.228 0.000 2.426 345 L HA 0.184 4.524 4.340 -0.000 0.000 0.271 345 L C 1.259 178.066 176.870 -0.106 0.000 1.169 345 L CA 0.580 55.361 54.840 -0.097 0.000 0.836 345 L CB 0.046 42.087 42.059 -0.030 0.000 1.112 345 L HN 0.357 nan 8.230 nan 0.000 0.465 346 S N 3.981 119.641 115.700 -0.067 0.000 2.404 346 S HA 0.584 5.054 4.470 -0.000 0.000 0.309 346 S C -0.511 174.062 174.600 -0.046 0.000 1.076 346 S CA -0.632 57.531 58.200 -0.062 0.000 1.095 346 S CB -0.340 62.835 63.200 -0.041 0.000 0.972 346 S HN 0.417 nan 8.310 nan 0.000 0.484 347 L N 4.545 125.737 121.223 -0.052 0.000 2.325 347 L HA 0.488 4.828 4.340 -0.000 0.000 0.278 347 L C 0.311 177.187 176.870 0.010 0.000 1.023 347 L CA -0.777 54.052 54.840 -0.018 0.000 0.811 347 L CB 1.625 43.676 42.059 -0.013 0.000 1.249 347 L HN 0.502 nan 8.230 nan 0.000 0.431 348 Q N 2.183 121.994 119.800 0.019 0.000 2.344 348 Q HA 0.216 4.556 4.340 -0.000 0.000 0.253 348 Q C -0.487 175.545 176.000 0.053 0.000 1.050 348 Q CA -0.190 55.627 55.803 0.024 0.000 0.912 348 Q CB 1.067 29.811 28.738 0.011 0.000 1.258 348 Q HN 0.573 nan 8.270 nan 0.000 0.443 349 T N 2.591 117.190 114.554 0.075 0.000 2.874 349 T HA 0.373 4.723 4.350 -0.000 0.000 0.281 349 T C -0.163 174.561 174.700 0.040 0.000 0.994 349 T CA -0.461 61.703 62.100 0.107 0.000 1.015 349 T CB 0.985 69.957 68.868 0.172 0.000 1.028 349 T HN 0.394 nan 8.240 nan 0.000 0.523 350 K N 1.073 121.470 120.400 -0.005 0.000 2.535 350 K HA 0.283 4.603 4.320 -0.000 0.000 0.251 350 K C -0.922 175.605 176.600 -0.122 0.000 0.942 350 K CA -0.561 55.696 56.287 -0.050 0.000 0.798 350 K CB 1.706 34.156 32.500 -0.082 0.000 1.267 350 K HN 0.583 nan 8.250 nan 0.000 0.434 351 E N 3.353 123.479 120.200 -0.122 0.000 2.373 351 E HA 0.317 4.667 4.350 -0.000 0.000 0.263 351 E C -0.448 175.876 176.600 -0.459 0.000 1.073 351 E CA -0.371 55.824 56.400 -0.341 0.000 0.894 351 E CB 1.034 30.601 29.700 -0.222 0.000 1.008 351 E HN 0.365 nan 8.360 nan 0.000 0.420 352 L N -0.274 120.525 121.223 -0.707 0.000 2.359 352 L HA 0.401 4.740 4.340 -0.000 0.000 0.256 352 L C 0.462 176.984 176.870 -0.581 0.000 1.026 352 L CA -1.271 53.128 54.840 -0.735 0.000 0.828 352 L CB 1.677 42.933 42.059 -1.339 0.000 1.406 352 L HN 0.634 nan 8.230 nan 0.000 0.413 353 G N 1.303 109.958 108.800 -0.242 0.000 2.401 353 G HA2 0.107 4.067 3.960 -0.000 0.000 0.288 353 G HA3 0.107 4.067 3.960 -0.000 0.000 0.288 353 G C 0.620 175.525 174.900 0.008 0.000 0.917 353 G CA 0.177 45.311 45.100 0.058 0.000 1.610 353 G HN 0.630 nan 8.290 nan 0.000 0.439 354 S N 1.055 116.669 115.700 -0.143 0.000 2.553 354 S HA 0.160 4.630 4.470 -0.000 0.000 0.293 354 S C 0.825 175.428 174.600 0.005 0.000 1.296 354 S CA -0.152 57.968 58.200 -0.133 0.000 1.046 354 S CB 0.938 64.065 63.200 -0.122 0.000 0.810 354 S HN 1.428 nan 8.310 nan 0.000 0.505 355 V N -0.149 119.776 119.914 0.018 0.000 3.403 355 V HA 0.488 4.608 4.120 -0.000 0.000 0.305 355 V C 0.342 176.466 176.094 0.050 0.000 1.060 355 V CA -0.534 61.822 62.300 0.093 0.000 1.053 355 V CB 0.638 32.526 31.823 0.108 0.000 1.198 355 V HN 0.860 nan 8.190 nan 0.000 0.447 356 D N 0.172 120.594 120.400 0.037 0.000 2.368 356 D HA 0.274 4.914 4.640 -0.000 0.000 0.218 356 D C 0.264 176.575 176.300 0.017 0.000 1.112 356 D CA 0.618 54.622 54.000 0.007 0.000 0.834 356 D CB 0.838 41.615 40.800 -0.037 0.000 0.953 356 D HN 0.685 nan 8.370 nan 0.000 0.505 357 V N -2.588 117.352 119.914 0.042 0.000 3.158 357 V HA 0.539 4.659 4.120 -0.000 0.000 0.311 357 V C -0.606 175.568 176.094 0.134 0.000 1.181 357 V CA -1.365 60.980 62.300 0.074 0.000 1.054 357 V CB 1.956 33.809 31.823 0.049 0.000 1.085 357 V HN -0.148 nan 8.190 nan 0.000 0.446 358 F N 4.825 124.783 119.950 0.014 0.000 2.466 358 F HA 0.610 5.137 4.527 -0.000 0.000 0.363 358 F C -2.101 173.717 175.800 0.029 0.000 1.109 358 F CA -2.879 55.135 58.000 0.024 0.000 1.161 358 F CB 0.698 39.711 39.000 0.022 0.000 1.117 358 F HN 0.414 nan 8.300 nan 0.000 0.539 359 P HA 0.006 nan 4.420 nan 0.000 0.269 359 P C -0.734 176.219 177.300 -0.578 0.000 1.252 359 P CA 0.084 62.957 63.100 -0.379 0.000 0.780 359 P CB 0.728 32.305 31.700 -0.205 0.000 0.829 360 Q N 1.698 121.296 119.800 -0.337 0.000 2.352 360 Q HA 0.199 4.539 4.340 -0.000 0.000 0.212 360 Q C 0.257 176.196 176.000 -0.101 0.000 0.888 360 Q CA -0.145 55.520 55.803 -0.229 0.000 0.934 360 Q CB 0.513 29.195 28.738 -0.092 0.000 1.093 360 Q HN 0.330 nan 8.270 nan 0.000 0.523 361 S N 0.290 115.945 115.700 -0.075 0.000 2.543 361 S HA 0.577 5.046 4.470 -0.000 0.000 0.273 361 S C -2.013 172.588 174.600 0.003 0.000 1.152 361 S CA -0.779 57.416 58.200 -0.008 0.000 0.910 361 S CB 1.762 64.974 63.200 0.020 0.000 1.105 361 S HN 0.356 nan 8.310 nan 0.000 0.465 362 L N 4.228 125.482 121.223 0.052 0.000 2.491 362 L HA 0.876 5.216 4.340 -0.000 0.000 0.267 362 L C -1.046 175.914 176.870 0.150 0.000 0.971 362 L CA -0.170 54.716 54.840 0.077 0.000 0.857 362 L CB 1.352 43.448 42.059 0.062 0.000 1.226 362 L HN 0.930 nan 8.230 nan 0.000 0.408 363 A N 2.764 125.710 122.820 0.209 0.000 2.427 363 A HA 0.612 4.932 4.320 -0.000 0.000 0.298 363 A C -1.371 176.482 177.584 0.448 0.000 1.036 363 A CA -0.523 51.722 52.037 0.346 0.000 0.701 363 A CB 0.876 20.146 19.000 0.450 0.000 1.250 363 A HN 0.852 nan 8.150 nan 0.000 0.412 364 H N 1.026 120.281 119.070 0.308 0.000 2.745 364 H HA 0.386 4.942 4.556 -0.000 0.000 0.373 364 H C 1.351 176.586 175.328 -0.155 0.000 1.226 364 H CA 1.453 57.597 56.048 0.160 0.000 1.435 364 H CB 0.794 30.601 29.762 0.076 0.000 1.461 364 H HN 0.778 nan 8.280 nan 0.000 0.616 365 S N 1.872 117.304 115.700 -0.446 0.000 2.614 365 S HA 0.078 4.548 4.470 -0.000 0.000 0.265 365 S C -1.728 172.617 174.600 -0.426 0.000 1.303 365 S CA -1.182 56.252 58.200 -1.278 0.000 1.000 365 S CB 1.226 63.752 63.200 -1.122 0.000 0.935 365 S HN 0.464 nan 8.310 nan 0.000 0.551 366 P HA -0.158 nan 4.420 nan 0.000 0.216 366 P C 1.035 178.276 177.300 -0.099 0.000 1.150 366 P CA 1.615 64.650 63.100 -0.108 0.000 0.843 366 P CB -0.319 31.334 31.700 -0.078 0.000 0.787 367 N N -2.168 116.453 118.700 -0.131 0.000 2.494 367 N HA -0.004 4.736 4.740 -0.000 0.000 0.182 367 N C 1.291 176.726 175.510 -0.125 0.000 1.076 367 N CA 0.789 53.773 53.050 -0.110 0.000 0.908 367 N CB -0.430 37.995 38.487 -0.104 0.000 0.967 367 N HN 0.108 nan 8.380 nan 0.000 0.449 368 G N 1.375 110.098 108.800 -0.128 0.000 2.176 368 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.253 368 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.253 368 G C 0.973 175.842 174.900 -0.051 0.000 0.979 368 G CA 0.246 45.297 45.100 -0.083 0.000 0.641 368 G HN 0.370 nan 8.290 nan 0.000 0.530 369 R N -1.020 119.337 120.500 -0.239 0.000 2.148 369 R HA 0.251 4.591 4.340 -0.000 0.000 0.227 369 R C 0.504 176.410 176.300 -0.658 0.000 1.103 369 R CA 1.112 56.891 56.100 -0.535 0.000 0.983 369 R CB -0.047 29.730 30.300 -0.872 0.000 0.874 369 R HN 0.450 nan 8.270 nan 0.000 0.451 370 F N -1.807 118.153 119.950 0.017 0.000 2.640 370 F HA 0.507 5.034 4.527 -0.000 0.000 0.324 370 F C -0.415 175.469 175.800 0.141 0.000 1.077 370 F CA -1.313 56.749 58.000 0.103 0.000 0.965 370 F CB 1.592 40.720 39.000 0.214 0.000 1.351 370 F HN -0.457 nan 8.300 nan 0.000 0.487 371 V N 0.496 120.667 119.914 0.428 0.000 2.686 371 V HA 0.543 4.663 4.120 -0.000 0.000 0.306 371 V C -0.841 175.459 176.094 0.343 0.000 1.065 371 V CA -0.605 61.869 62.300 0.292 0.000 0.894 371 V CB 2.256 34.196 31.823 0.195 0.000 1.004 371 V HN 0.824 nan 8.190 nan 0.000 0.424 372 T N 3.693 118.417 114.554 0.283 0.000 2.829 372 T HA 0.663 5.013 4.350 -0.000 0.000 0.280 372 T C -0.672 173.983 174.700 -0.073 0.000 0.999 372 T CA -0.432 61.618 62.100 -0.082 0.000 0.983 372 T CB 1.812 70.188 68.868 -0.820 0.000 0.968 372 T HN 0.355 nan 8.240 nan 0.000 0.446 373 V N 3.796 123.673 119.914 -0.063 0.000 2.409 373 V HA 0.508 4.628 4.120 -0.000 0.000 0.291 373 V C -0.269 175.785 176.094 -0.068 0.000 1.020 373 V CA -0.693 61.597 62.300 -0.016 0.000 0.848 373 V CB 1.759 33.630 31.823 0.081 0.000 0.990 373 V HN 0.706 nan 8.190 nan 0.000 0.430 374 V N 3.431 123.305 119.914 -0.067 0.000 2.581 374 V HA 1.018 5.138 4.120 -0.000 0.000 0.303 374 V C 0.489 176.571 176.094 -0.019 0.000 1.041 374 V CA -0.055 62.224 62.300 -0.034 0.000 0.907 374 V CB 1.606 33.415 31.823 -0.024 0.000 0.994 374 V HN 1.115 nan 8.190 nan 0.000 0.442 375 G N 1.563 110.371 108.800 0.013 0.000 2.429 375 G HA2 0.468 4.428 3.960 -0.000 0.000 0.300 375 G HA3 0.468 4.428 3.960 -0.000 0.000 0.300 375 G C -0.968 173.964 174.900 0.053 0.000 1.598 375 G CA -0.563 44.554 45.100 0.028 0.000 0.863 375 G HN 0.593 nan 8.290 nan 0.000 0.614 376 D N -0.223 120.225 120.400 0.079 0.000 2.708 376 D HA -0.177 4.463 4.640 -0.000 0.000 0.236 376 D C 1.654 177.982 176.300 0.047 0.000 1.146 376 D CA 2.759 56.800 54.000 0.068 0.000 0.662 376 D CB -1.169 39.669 40.800 0.063 0.000 1.059 376 D HN 2.296 nan 8.370 nan 0.000 0.428 377 G N -0.500 108.332 108.800 0.054 0.000 2.168 377 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.263 377 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.263 377 G C 0.140 175.076 174.900 0.061 0.000 0.977 377 G CA 0.939 46.073 45.100 0.056 0.000 0.659 377 G HN 0.546 nan 8.290 nan 0.000 0.533 378 E N -1.249 118.979 120.200 0.047 0.000 2.339 378 E HA 0.716 5.066 4.350 -0.000 0.000 0.262 378 E C -0.678 175.959 176.600 0.062 0.000 0.934 378 E CA -1.078 55.333 56.400 0.019 0.000 0.802 378 E CB 1.658 31.330 29.700 -0.047 0.000 1.275 378 E HN 0.608 nan 8.360 nan 0.000 0.427 379 Y N -2.292 117.962 120.300 -0.076 0.000 2.534 379 Y HA 0.673 5.223 4.550 -0.000 0.000 0.345 379 Y C -1.669 174.128 175.900 -0.173 0.000 1.031 379 Y CA -1.068 56.920 58.100 -0.186 0.000 1.022 379 Y CB 1.028 39.312 38.460 -0.294 0.000 1.292 379 Y HN 0.192 nan 8.280 nan 0.000 0.459 380 V N 5.063 124.932 119.914 -0.074 0.000 2.686 380 V HA 0.503 4.623 4.120 -0.000 0.000 0.306 380 V C -0.477 175.537 176.094 -0.134 0.000 1.065 380 V CA -0.878 61.332 62.300 -0.150 0.000 0.894 380 V CB 1.781 33.562 31.823 -0.070 0.000 1.004 380 V HN 0.806 nan 8.190 nan 0.000 0.424 381 I N 4.484 124.903 120.570 -0.252 0.000 2.404 381 I HA 0.569 4.739 4.170 -0.000 0.000 0.293 381 I C -1.097 174.785 176.117 -0.391 0.000 0.992 381 I CA -0.579 60.624 61.300 -0.163 0.000 1.149 381 I CB 1.610 39.582 38.000 -0.047 0.000 1.315 381 I HN 0.503 nan 8.210 nan 0.000 0.446 382 Y N 2.481 122.632 120.300 -0.248 0.000 2.562 382 Y HA 0.399 4.949 4.550 -0.000 0.000 0.343 382 Y C 0.404 176.239 175.900 -0.109 0.000 1.025 382 Y CA -0.964 56.850 58.100 -0.476 0.000 1.082 382 Y CB 1.933 39.519 38.460 -1.456 0.000 1.264 382 Y HN 0.336 nan 8.280 nan 0.000 0.478 383 T N 1.784 116.377 114.554 0.065 0.000 2.727 383 T HA 0.332 4.682 4.350 -0.000 0.000 0.298 383 T C 1.117 175.874 174.700 0.094 0.000 0.942 383 T CA -0.032 62.146 62.100 0.131 0.000 0.997 383 T CB 1.042 69.952 68.868 0.071 0.000 0.917 383 T HN 0.870 nan 8.240 nan 0.000 0.487 384 A N 4.489 127.387 122.820 0.130 0.000 1.958 384 A HA -0.118 4.202 4.320 -0.000 0.000 0.221 384 A C 2.135 179.844 177.584 0.208 0.000 1.178 384 A CA 1.453 53.642 52.037 0.255 0.000 0.642 384 A CB -0.763 18.381 19.000 0.240 0.000 0.816 384 A HN 0.849 nan 8.150 nan 0.000 0.453 385 L N -1.268 120.009 121.223 0.090 0.000 1.929 385 L HA -0.218 4.122 4.340 -0.000 0.000 0.229 385 L C 2.194 179.126 176.870 0.104 0.000 1.086 385 L CA 1.742 56.621 54.840 0.065 0.000 0.798 385 L CB -0.334 41.733 42.059 0.014 0.000 0.898 385 L HN 0.427 nan 8.230 nan 0.000 0.436 386 A N -2.161 120.722 122.820 0.104 0.000 2.842 386 A HA 0.036 4.356 4.320 -0.000 0.000 0.298 386 A C 0.262 177.972 177.584 0.210 0.000 1.293 386 A CA -0.611 51.499 52.037 0.122 0.000 0.959 386 A CB -0.806 18.236 19.000 0.071 0.000 1.119 386 A HN 0.658 nan 8.150 nan 0.000 0.564 387 W N 1.484 122.795 121.300 0.018 0.000 7.479 387 W HA -0.224 4.436 4.660 -0.000 0.000 0.423 387 W C -0.812 175.798 176.519 0.152 0.000 1.709 387 W CA 0.772 58.146 57.345 0.049 0.000 1.205 387 W CB -0.513 28.902 29.460 -0.075 0.000 2.942 387 W HN 0.492 nan 8.180 nan 0.000 1.617 388 R N 2.397 122.894 120.500 -0.004 0.000 2.393 388 R HA 0.195 4.535 4.340 -0.000 0.000 0.310 388 R C 0.599 176.795 176.300 -0.174 0.000 0.968 388 R CA -1.062 55.013 56.100 -0.041 0.000 0.867 388 R CB 0.989 31.279 30.300 -0.016 0.000 1.124 388 R HN 0.074 nan 8.270 nan 0.000 0.450 389 N N 2.044 120.589 118.700 -0.258 0.000 2.356 389 N HA -0.127 4.613 4.740 -0.000 0.000 0.252 389 N C 0.339 175.630 175.510 -0.364 0.000 1.241 389 N CA 0.769 53.503 53.050 -0.527 0.000 0.861 389 N CB 1.014 39.270 38.487 -0.384 0.000 1.075 389 N HN 0.523 nan 8.380 nan 0.000 0.461 390 K N 2.362 122.502 120.400 -0.433 0.000 2.412 390 K HA 0.423 4.743 4.320 -0.000 0.000 0.201 390 K C -0.623 175.716 176.600 -0.434 0.000 1.275 390 K CA 0.563 56.618 56.287 -0.386 0.000 0.910 390 K CB 0.333 32.611 32.500 -0.369 0.000 1.346 390 K HN 0.582 nan 8.250 nan 0.000 0.490 391 A N -0.616 121.977 122.820 -0.377 0.000 2.581 391 A HA 0.678 4.998 4.320 -0.000 0.000 0.290 391 A C -1.706 175.706 177.584 -0.286 0.000 1.119 391 A CA -0.437 51.395 52.037 -0.341 0.000 0.670 391 A CB 0.665 19.543 19.000 -0.204 0.000 1.280 391 A HN 0.380 nan 8.150 nan 0.000 0.425 392 F N -2.710 116.972 119.950 -0.447 0.000 2.769 392 F HA 0.832 5.359 4.527 -0.000 0.000 0.313 392 F C -0.206 175.043 175.800 -0.918 0.000 1.146 392 F CA -0.196 57.332 58.000 -0.787 0.000 0.934 392 F CB 0.745 39.438 39.000 -0.510 0.000 1.283 392 F HN 1.798 nan 8.300 nan 0.000 0.443 393 G N 1.236 109.451 108.800 -0.975 0.000 2.340 393 G HA2 0.473 4.433 3.960 -0.000 0.000 0.299 393 G HA3 0.473 4.433 3.960 -0.000 0.000 0.299 393 G C -2.317 172.438 174.900 -0.243 0.000 1.291 393 G CA -1.306 43.503 45.100 -0.484 0.000 0.841 393 G HN 0.733 nan 8.290 nan 0.000 0.500 394 K N -0.880 119.551 120.400 0.051 0.000 2.098 394 K HA 0.733 5.053 4.320 -0.000 0.000 0.258 394 K C -0.243 176.497 176.600 0.234 0.000 0.973 394 K CA -0.179 56.181 56.287 0.121 0.000 0.898 394 K CB 1.601 34.154 32.500 0.089 0.000 1.057 394 K HN 1.233 nan 8.250 nan 0.000 0.447 395 C N -0.871 118.541 119.300 0.187 0.000 3.034 395 C HA 0.190 4.650 4.460 -0.000 0.000 0.336 395 C C 0.198 175.251 174.990 0.104 0.000 1.304 395 C CA -0.714 58.396 59.018 0.154 0.000 1.197 395 C CB 0.865 28.710 27.740 0.175 0.000 1.373 395 C HN 0.965 nan 8.230 nan 0.000 0.459 396 Q N 0.547 120.391 119.800 0.073 0.000 2.378 396 Q HA 0.308 4.648 4.340 -0.000 0.000 0.229 396 Q C -0.438 175.589 176.000 0.045 0.000 0.882 396 Q CA 0.507 56.342 55.803 0.054 0.000 0.936 396 Q CB 0.653 29.416 28.738 0.041 0.000 1.092 396 Q HN 0.789 nan 8.270 nan 0.000 0.535 397 D N -1.034 119.392 120.400 0.044 0.000 2.655 397 D HA 0.383 5.023 4.640 -0.000 0.000 0.229 397 D C -1.954 174.379 176.300 0.056 0.000 1.229 397 D CA -0.564 53.460 54.000 0.039 0.000 0.807 397 D CB 2.059 42.859 40.800 -0.000 0.000 1.514 397 D HN -0.074 nan 8.370 nan 0.000 0.444 398 F N 2.233 122.094 119.950 -0.148 0.000 2.581 398 F HA 0.591 5.118 4.527 -0.000 0.000 0.311 398 F C -1.557 174.139 175.800 -0.173 0.000 1.113 398 F CA -0.537 57.303 58.000 -0.266 0.000 0.935 398 F CB 1.422 40.139 39.000 -0.470 0.000 1.232 398 F HN 0.166 nan 8.300 nan 0.000 0.445 399 V N 1.494 121.120 119.914 -0.481 0.000 2.777 399 V HA 0.504 4.624 4.120 -0.000 0.000 0.306 399 V C -1.416 174.513 176.094 -0.275 0.000 1.112 399 V CA -1.192 61.048 62.300 -0.101 0.000 0.917 399 V CB 0.960 32.901 31.823 0.196 0.000 1.018 399 V HN 0.891 nan 8.190 nan 0.000 0.426 400 W N 2.250 123.578 121.300 0.047 0.000 2.150 400 W HA 0.655 5.315 4.660 -0.000 0.000 0.341 400 W C 1.155 177.547 176.519 -0.211 0.000 1.276 400 W CA 0.946 58.276 57.345 -0.024 0.000 1.238 400 W CB 1.068 30.597 29.460 0.116 0.000 1.128 400 W HN 1.021 nan 8.180 nan 0.000 0.581 401 G N 1.900 110.551 108.800 -0.249 0.000 2.502 401 G HA2 0.295 4.255 3.960 -0.000 0.000 0.305 401 G HA3 0.295 4.255 3.960 -0.000 0.000 0.305 401 G C -1.688 172.792 174.900 -0.700 0.000 1.190 401 G CA -1.113 43.226 45.100 -1.269 0.000 0.933 401 G HN 0.308 nan 8.290 nan 0.000 0.503 402 P HA -0.126 nan 4.420 nan 0.000 0.220 402 P C 1.033 178.186 177.300 -0.245 0.000 1.148 402 P CA 0.945 63.808 63.100 -0.396 0.000 0.803 402 P CB 0.254 31.728 31.700 -0.376 0.000 0.782 403 D N 0.466 120.707 120.400 -0.265 0.000 2.239 403 D HA -0.194 4.446 4.640 -0.000 0.000 0.202 403 D C 0.961 177.206 176.300 -0.091 0.000 0.993 403 D CA 1.729 55.644 54.000 -0.141 0.000 0.874 403 D CB -0.242 40.478 40.800 -0.133 0.000 0.922 403 D HN 0.049 nan 8.370 nan 0.000 0.464 404 S N -1.250 114.396 115.700 -0.090 0.000 3.228 404 S HA -0.291 4.179 4.470 -0.000 0.000 0.282 404 S C 0.636 175.231 174.600 -0.007 0.000 1.286 404 S CA 1.609 59.762 58.200 -0.078 0.000 1.066 404 S CB -1.796 61.357 63.200 -0.078 0.000 1.277 404 S HN 0.590 nan 8.310 nan 0.000 0.661 405 N N -0.284 118.431 118.700 0.024 0.000 2.297 405 N HA 0.261 5.001 4.740 -0.000 0.000 0.247 405 N C 0.166 175.594 175.510 -0.135 0.000 1.138 405 N CA 0.695 53.740 53.050 -0.008 0.000 0.813 405 N CB 0.935 39.389 38.487 -0.056 0.000 1.496 405 N HN 0.534 nan 8.380 nan 0.000 0.480 406 S N -0.607 114.982 115.700 -0.186 0.000 2.645 406 S HA 0.534 5.004 4.470 -0.000 0.000 0.266 406 S C -0.662 173.773 174.600 -0.276 0.000 1.258 406 S CA -0.385 57.535 58.200 -0.467 0.000 0.990 406 S CB 0.845 63.741 63.200 -0.507 0.000 0.967 406 S HN 0.323 nan 8.310 nan 0.000 0.556 407 Y N -3.068 116.946 120.300 -0.477 0.000 2.677 407 Y HA 0.781 5.331 4.550 -0.000 0.000 0.334 407 Y C -0.940 174.699 175.900 -0.434 0.000 1.196 407 Y CA -1.442 56.295 58.100 -0.605 0.000 1.059 407 Y CB 0.685 38.309 38.460 -1.393 0.000 1.315 407 Y HN 0.934 nan 8.280 nan 0.000 0.455 408 A N 2.457 125.200 122.820 -0.129 0.000 2.365 408 A HA 0.905 5.225 4.320 -0.000 0.000 0.318 408 A C -1.501 175.971 177.584 -0.186 0.000 1.091 408 A CA -0.848 51.154 52.037 -0.058 0.000 0.763 408 A CB 1.056 20.095 19.000 0.064 0.000 1.248 408 A HN 0.778 nan 8.150 nan 0.000 0.442 409 L N 1.024 122.208 121.223 -0.064 0.000 2.256 409 L HA 0.640 4.980 4.340 -0.000 0.000 0.261 409 L C -0.807 176.076 176.870 0.023 0.000 1.022 409 L CA -0.719 54.090 54.840 -0.053 0.000 0.828 409 L CB 2.053 44.097 42.059 -0.025 0.000 1.374 409 L HN 0.585 nan 8.230 nan 0.000 0.436 410 I N 1.161 121.749 120.570 0.031 0.000 2.495 410 I HA 0.129 4.299 4.170 -0.000 0.000 0.277 410 I C -0.644 175.511 176.117 0.064 0.000 1.045 410 I CA -0.621 60.704 61.300 0.042 0.000 1.135 410 I CB 1.280 39.294 38.000 0.025 0.000 1.241 410 I HN 0.657 nan 8.210 nan 0.000 0.469 411 D N 3.871 124.320 120.400 0.082 0.000 2.274 411 D HA 0.001 4.641 4.640 -0.000 0.000 0.256 411 D C 0.903 177.245 176.300 0.071 0.000 1.274 411 D CA 0.041 54.098 54.000 0.095 0.000 0.998 411 D CB 0.776 41.641 40.800 0.107 0.000 1.139 411 D HN 0.345 nan 8.370 nan 0.000 0.540 412 E N -1.506 118.735 120.200 0.068 0.000 2.107 412 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 412 E C 1.956 178.580 176.600 0.039 0.000 0.982 412 E CA 1.762 58.192 56.400 0.050 0.000 0.809 412 E CB -0.816 28.912 29.700 0.047 0.000 0.756 412 E HN 0.688 nan 8.360 nan 0.000 0.459 413 T N -1.978 112.600 114.554 0.039 0.000 3.163 413 T HA 0.108 4.458 4.350 -0.000 0.000 0.260 413 T C 1.567 176.281 174.700 0.023 0.000 1.156 413 T CA 0.550 62.667 62.100 0.028 0.000 1.072 413 T CB -0.473 68.411 68.868 0.026 0.000 0.937 413 T HN 0.335 nan 8.240 nan 0.000 0.528 414 G N 0.625 109.442 108.800 0.030 0.000 2.153 414 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.252 414 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.252 414 G C -0.252 174.658 174.900 0.018 0.000 0.994 414 G CA 0.250 45.364 45.100 0.023 0.000 0.698 414 G HN 0.696 nan 8.290 nan 0.000 0.521 415 Q N -0.861 118.955 119.800 0.028 0.000 2.222 415 Q HA 0.631 4.971 4.340 -0.000 0.000 0.252 415 Q C 0.596 176.627 176.000 0.052 0.000 0.926 415 Q CA -0.857 54.960 55.803 0.024 0.000 0.899 415 Q CB 1.568 30.321 28.738 0.025 0.000 1.250 415 Q HN 0.415 nan 8.270 nan 0.000 0.441 416 I N 2.509 123.109 120.570 0.050 0.000 2.452 416 I HA 0.098 4.268 4.170 -0.000 0.000 0.287 416 I C 0.055 176.304 176.117 0.220 0.000 1.079 416 I CA 0.305 61.670 61.300 0.109 0.000 1.387 416 I CB 0.203 38.254 38.000 0.086 0.000 1.404 416 I HN 0.287 nan 8.210 nan 0.000 0.522 417 K N 6.383 126.890 120.400 0.178 0.000 2.259 417 K HA 0.417 4.737 4.320 -0.000 0.000 0.252 417 K C -1.279 175.330 176.600 0.015 0.000 0.936 417 K CA -0.792 55.598 56.287 0.172 0.000 0.810 417 K CB 2.535 35.179 32.500 0.240 0.000 1.143 417 K HN 0.423 nan 8.250 nan 0.000 0.427 418 Y N 1.996 122.009 120.300 -0.479 0.000 2.377 418 Y HA 0.365 4.915 4.550 -0.000 0.000 0.339 418 Y C -1.355 174.164 175.900 -0.635 0.000 1.011 418 Y CA -0.727 56.836 58.100 -0.894 0.000 1.093 418 Y CB 1.058 38.183 38.460 -2.224 0.000 1.201 418 Y HN 0.508 nan 8.280 nan 0.000 0.455 419 Y N 4.423 123.948 120.300 -1.292 0.000 2.462 419 Y HA 0.434 4.984 4.550 -0.000 0.000 0.346 419 Y C -0.703 174.331 175.900 -1.442 0.000 0.976 419 Y CA -1.084 56.272 58.100 -1.239 0.000 1.044 419 Y CB 2.133 39.718 38.460 -1.459 0.000 1.230 419 Y HN 0.420 nan 8.280 nan 0.000 0.455 420 K N 3.107 123.003 120.400 -0.839 0.000 2.545 420 K HA 0.292 4.612 4.320 -0.000 0.000 0.252 420 K C -0.769 175.584 176.600 -0.411 0.000 0.948 420 K CA -0.421 55.487 56.287 -0.632 0.000 0.827 420 K CB 0.548 32.784 32.500 -0.440 0.000 1.128 420 K HN 0.855 nan 8.250 nan 0.000 0.429 421 N N 4.040 122.484 118.700 -0.426 0.000 2.754 421 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 421 N C -0.659 174.798 175.510 -0.088 0.000 1.093 421 N CA 1.396 54.302 53.050 -0.239 0.000 0.699 421 N CB -1.351 37.102 38.487 -0.057 0.000 1.016 421 N HN 0.862 nan 8.380 nan 0.000 0.552 422 F N -2.778 117.103 119.950 -0.115 0.000 2.914 422 F HA -0.289 4.238 4.527 -0.000 0.000 0.304 422 F C 0.838 176.701 175.800 0.106 0.000 0.712 422 F CA 1.582 59.594 58.000 0.020 0.000 1.211 422 F CB -1.209 37.809 39.000 0.030 0.000 1.515 422 F HN 0.236 nan 8.300 nan 0.000 0.350 423 K N 1.667 122.103 120.400 0.060 0.000 2.292 423 K HA 0.379 4.699 4.320 -0.000 0.000 0.257 423 K C -0.078 176.306 176.600 -0.361 0.000 0.940 423 K CA -0.662 55.609 56.287 -0.027 0.000 0.811 423 K CB 1.512 33.975 32.500 -0.062 0.000 1.120 423 K HN 0.201 nan 8.250 nan 0.000 0.428 424 E N 3.401 123.212 120.200 -0.648 0.000 2.344 424 E HA 0.031 4.381 4.350 -0.000 0.000 0.270 424 E C -0.972 175.317 176.600 -0.519 0.000 1.021 424 E CA -0.468 55.252 56.400 -1.134 0.000 0.887 424 E CB 1.181 30.243 29.700 -1.063 0.000 0.997 424 E HN 0.363 nan 8.360 nan 0.000 0.429 425 V N 5.637 125.288 119.914 -0.437 0.000 2.334 425 V HA 0.088 4.208 4.120 -0.000 0.000 0.267 425 V C 1.030 177.102 176.094 -0.036 0.000 1.040 425 V CA 0.475 62.680 62.300 -0.158 0.000 0.866 425 V CB 0.573 32.369 31.823 -0.045 0.000 1.019 425 V HN 0.959 nan 8.190 nan 0.000 0.468 426 T N 2.426 116.958 114.554 -0.036 0.000 2.833 426 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 426 T C 1.938 176.676 174.700 0.063 0.000 1.054 426 T CA 1.783 63.886 62.100 0.006 0.000 1.135 426 T CB -0.489 68.370 68.868 -0.014 0.000 0.869 426 T HN 1.122 nan 8.240 nan 0.000 0.466 427 S N -0.725 115.023 115.700 0.079 0.000 2.447 427 S HA -0.043 4.427 4.470 -0.000 0.000 0.233 427 S C 0.501 175.176 174.600 0.125 0.000 1.006 427 S CA -0.438 57.810 58.200 0.081 0.000 0.957 427 S CB -0.958 62.287 63.200 0.074 0.000 0.773 427 S HN 0.718 nan 8.310 nan 0.000 0.507 428 W N 3.218 124.507 121.300 -0.017 0.000 2.238 428 W HA 0.502 5.162 4.660 -0.000 0.000 0.321 428 W C 0.030 176.515 176.519 -0.056 0.000 1.293 428 W CA 0.660 57.989 57.345 -0.025 0.000 1.204 428 W CB 0.834 30.321 29.460 0.045 0.000 1.167 428 W HN 0.359 nan 8.180 nan 0.000 0.553 429 S N 3.257 118.736 115.700 -0.369 0.000 2.570 429 S HA 0.734 5.204 4.470 -0.000 0.000 0.270 429 S C -1.669 172.471 174.600 -0.767 0.000 1.149 429 S CA -1.126 56.870 58.200 -0.340 0.000 0.837 429 S CB 1.970 65.055 63.200 -0.192 0.000 1.124 429 S HN 0.364 nan 8.310 nan 0.000 0.465 430 V N 2.018 121.594 119.914 -0.563 0.000 2.670 430 V HA 0.362 4.482 4.120 -0.000 0.000 0.258 430 V C -2.803 173.046 176.094 -0.408 0.000 0.906 430 V CA -1.072 60.811 62.300 -0.695 0.000 0.887 430 V CB 0.767 31.993 31.823 -0.994 0.000 1.059 430 V HN 0.831 nan 8.190 nan 0.000 0.484 431 P HA 0.300 nan 4.420 nan 0.000 0.266 431 P C -0.490 176.728 177.300 -0.136 0.000 1.215 431 P CA 0.057 63.056 63.100 -0.168 0.000 0.763 431 P CB 0.375 31.998 31.700 -0.128 0.000 0.806 432 M N 3.296 122.819 119.600 -0.128 0.000 2.190 432 M HA 0.260 4.740 4.480 -0.000 0.000 0.312 432 M C 0.697 176.975 176.300 -0.037 0.000 0.990 432 M CA -0.448 54.796 55.300 -0.094 0.000 0.927 432 M CB 0.920 33.437 32.600 -0.138 0.000 1.571 432 M HN 0.348 nan 8.290 nan 0.000 0.427 433 H N 0.383 119.402 119.070 -0.085 0.000 2.355 433 H HA -0.091 4.465 4.556 -0.000 0.000 0.293 433 H C 0.901 176.213 175.328 -0.026 0.000 1.060 433 H CA 2.378 58.404 56.048 -0.037 0.000 1.167 433 H CB -0.287 29.472 29.762 -0.006 0.000 1.376 433 H HN 0.757 nan 8.280 nan 0.000 0.549 434 S N 0.245 116.029 115.700 0.140 0.000 2.602 434 S HA 0.477 4.947 4.470 -0.000 0.000 0.257 434 S C 0.454 175.073 174.600 0.032 0.000 1.250 434 S CA -0.498 57.748 58.200 0.078 0.000 0.986 434 S CB 0.456 63.712 63.200 0.093 0.000 1.040 434 S HN 0.562 nan 8.310 nan 0.000 0.562 435 A N 0.215 123.054 122.820 0.031 0.000 2.327 435 A HA 0.569 4.889 4.320 -0.000 0.000 0.283 435 A C 0.067 177.663 177.584 0.021 0.000 1.127 435 A CA -0.784 51.264 52.037 0.019 0.000 0.810 435 A CB -0.268 18.744 19.000 0.020 0.000 1.066 435 A HN 0.615 nan 8.150 nan 0.000 0.492 436 I N 2.577 123.153 120.570 0.009 0.000 2.416 436 I HA 0.097 4.267 4.170 -0.000 0.000 0.288 436 I C 0.291 176.419 176.117 0.018 0.000 1.051 436 I CA -0.022 61.285 61.300 0.013 0.000 1.375 436 I CB 0.515 38.514 38.000 -0.002 0.000 1.407 436 I HN 0.667 nan 8.210 nan 0.000 0.516 437 D N 5.314 125.732 120.400 0.030 0.000 2.162 437 D HA 0.039 4.679 4.640 -0.000 0.000 0.205 437 D C 0.970 177.262 176.300 -0.014 0.000 0.964 437 D CA 1.020 55.033 54.000 0.021 0.000 0.847 437 D CB 0.530 41.357 40.800 0.044 0.000 0.988 437 D HN 0.656 nan 8.370 nan 0.000 0.480 438 R N -1.330 119.139 120.500 -0.053 0.000 2.829 438 R HA 0.320 4.660 4.340 -0.000 0.000 0.283 438 R C -1.897 174.261 176.300 -0.238 0.000 1.013 438 R CA -0.674 55.338 56.100 -0.147 0.000 0.848 438 R CB 0.201 30.375 30.300 -0.210 0.000 1.291 438 R HN -0.065 nan 8.270 nan 0.000 0.496 439 L N 0.805 121.867 121.223 -0.269 0.000 2.332 439 L HA 0.682 5.022 4.340 -0.000 0.000 0.269 439 L C -0.852 175.802 176.870 -0.360 0.000 1.016 439 L CA -1.010 53.715 54.840 -0.191 0.000 0.809 439 L CB 1.407 43.447 42.059 -0.033 0.000 1.280 439 L HN 0.473 nan 8.230 nan 0.000 0.447 440 F N -0.535 119.553 119.950 0.230 0.000 2.569 440 F HA 0.392 4.919 4.527 -0.000 0.000 0.312 440 F C 0.364 176.399 175.800 0.392 0.000 1.109 440 F CA -0.656 57.538 58.000 0.323 0.000 0.919 440 F CB 2.315 41.546 39.000 0.386 0.000 1.211 440 F HN 0.474 nan 8.300 nan 0.000 0.446 441 S N 1.466 117.550 115.700 0.640 0.000 2.719 441 S HA 0.993 5.463 4.470 -0.000 0.000 0.285 441 S C 0.114 175.058 174.600 0.573 0.000 1.137 441 S CA 0.031 58.625 58.200 0.657 0.000 1.012 441 S CB 1.711 65.234 63.200 0.538 0.000 1.134 441 S HN 1.563 nan 8.310 nan 0.000 0.544 442 G N -0.377 108.656 108.800 0.388 0.000 2.280 442 G HA2 0.406 4.366 3.960 -0.000 0.000 0.277 442 G HA3 0.406 4.366 3.960 -0.000 0.000 0.277 442 G C 0.590 175.255 174.900 -0.391 0.000 1.288 442 G CA 0.004 45.054 45.100 -0.084 0.000 1.075 442 G HN 1.510 nan 8.290 nan 0.000 0.480 443 A N -1.143 120.870 122.820 -1.346 0.000 1.908 443 A HA 0.357 4.677 4.320 -0.000 0.000 0.218 443 A C 1.111 178.421 177.584 -0.456 0.000 1.181 443 A CA 2.299 53.739 52.037 -0.996 0.000 0.627 443 A CB -0.370 17.699 19.000 -1.552 0.000 0.818 443 A HN 1.211 nan 8.150 nan 0.000 0.445 444 L N -2.228 118.619 121.223 -0.627 0.000 2.301 444 L HA 0.524 4.864 4.340 -0.000 0.000 0.264 444 L C -0.464 176.270 176.870 -0.227 0.000 1.016 444 L CA -1.210 53.463 54.840 -0.279 0.000 0.821 444 L CB 1.345 43.206 42.059 -0.330 0.000 1.346 444 L HN 0.260 nan 8.230 nan 0.000 0.429 445 L N 1.309 122.099 121.223 -0.723 0.000 2.315 445 L HA 0.627 4.967 4.340 -0.000 0.000 0.283 445 L C 0.297 177.268 176.870 0.168 0.000 1.089 445 L CA 0.231 54.672 54.840 -0.665 0.000 0.833 445 L CB 0.401 41.861 42.059 -0.999 0.000 1.170 445 L HN 0.614 nan 8.230 nan 0.000 0.442 446 G N 4.482 113.538 108.800 0.427 0.000 2.348 446 G HA2 0.556 4.516 3.960 -0.000 0.000 0.312 446 G HA3 0.556 4.516 3.960 -0.000 0.000 0.312 446 G C -1.336 173.856 174.900 0.485 0.000 1.126 446 G CA -0.230 45.246 45.100 0.627 0.000 0.865 446 G HN 0.950 nan 8.290 nan 0.000 0.474 447 V N 1.928 122.078 119.914 0.394 0.000 2.612 447 V HA 0.689 4.809 4.120 -0.000 0.000 0.301 447 V C -0.684 175.598 176.094 0.314 0.000 1.059 447 V CA -1.193 61.286 62.300 0.299 0.000 0.886 447 V CB 1.633 33.597 31.823 0.235 0.000 1.007 447 V HN 0.764 nan 8.190 nan 0.000 0.426 448 K N 4.283 124.849 120.400 0.276 0.000 2.227 448 K HA 0.748 5.068 4.320 -0.000 0.000 0.280 448 K C -0.606 176.111 176.600 0.196 0.000 1.041 448 K CA 0.041 56.495 56.287 0.279 0.000 0.905 448 K CB 1.208 33.889 32.500 0.302 0.000 1.068 448 K HN 0.941 nan 8.250 nan 0.000 0.470 449 S N 3.743 119.594 115.700 0.252 0.000 2.563 449 S HA 0.208 4.678 4.470 -0.000 0.000 0.279 449 S C -1.504 173.252 174.600 0.261 0.000 1.155 449 S CA -0.564 57.754 58.200 0.197 0.000 0.928 449 S CB 0.842 64.115 63.200 0.122 0.000 1.107 449 S HN 0.851 nan 8.310 nan 0.000 0.462 450 D N 2.733 123.209 120.400 0.125 0.000 2.723 450 D HA -0.120 4.520 4.640 -0.000 0.000 0.236 450 D C 0.874 177.040 176.300 -0.222 0.000 1.138 450 D CA 2.332 56.347 54.000 0.025 0.000 0.676 450 D CB -1.294 39.609 40.800 0.170 0.000 1.069 450 D HN 1.586 nan 8.370 nan 0.000 0.430 451 G N -1.059 107.654 108.800 -0.146 0.000 2.258 451 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.274 451 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.274 451 G C 0.210 174.907 174.900 -0.338 0.000 1.021 451 G CA 0.628 45.581 45.100 -0.246 0.000 0.798 451 G HN 0.546 nan 8.290 nan 0.000 0.507 452 F N -2.033 117.912 119.950 -0.007 0.000 2.620 452 F HA 0.667 5.194 4.527 -0.000 0.000 0.320 452 F C 0.099 175.846 175.800 -0.088 0.000 1.069 452 F CA -1.510 56.416 58.000 -0.123 0.000 0.953 452 F CB 2.426 41.315 39.000 -0.185 0.000 1.322 452 F HN -0.049 nan 8.300 nan 0.000 0.479 453 V N 2.023 121.895 119.914 -0.071 0.000 2.483 453 V HA 0.331 4.451 4.120 -0.000 0.000 0.297 453 V C -1.418 174.365 176.094 -0.519 0.000 1.027 453 V CA -0.880 61.288 62.300 -0.220 0.000 0.855 453 V CB 1.414 32.971 31.823 -0.444 0.000 0.995 453 V HN 0.466 nan 8.190 nan 0.000 0.424 454 Y N 4.482 124.542 120.300 -0.401 0.000 2.331 454 Y HA 0.650 5.200 4.550 -0.000 0.000 0.338 454 Y C -0.284 175.279 175.900 -0.561 0.000 0.992 454 Y CA -1.002 56.789 58.100 -0.513 0.000 1.121 454 Y CB 1.330 39.603 38.460 -0.311 0.000 1.184 454 Y HN 0.487 nan 8.280 nan 0.000 0.469 455 F N 3.851 123.608 119.950 -0.321 0.000 2.420 455 F HA 0.528 5.055 4.527 -0.000 0.000 0.342 455 F C -0.576 174.933 175.800 -0.485 0.000 1.113 455 F CA -1.285 56.575 58.000 -0.234 0.000 1.059 455 F CB 0.499 39.429 39.000 -0.116 0.000 1.128 455 F HN 0.246 nan 8.300 nan 0.000 0.475 456 F N 0.551 120.520 119.950 0.031 0.000 2.575 456 F HA 0.296 4.823 4.527 -0.000 0.000 0.330 456 F C 0.217 175.893 175.800 -0.206 0.000 1.056 456 F CA -1.164 56.767 58.000 -0.114 0.000 0.964 456 F CB 0.917 39.818 39.000 -0.165 0.000 1.258 456 F HN 0.268 nan 8.300 nan 0.000 0.484 457 D N 0.869 121.305 120.400 0.061 0.000 2.317 457 D HA 0.009 4.649 4.640 -0.000 0.000 0.252 457 D C 0.378 176.752 176.300 0.124 0.000 1.174 457 D CA -0.017 54.026 54.000 0.072 0.000 0.866 457 D CB 0.626 41.526 40.800 0.167 0.000 1.127 457 D HN 0.467 nan 8.370 nan 0.000 0.467 458 W N 2.742 124.105 121.300 0.106 0.000 2.318 458 W HA -0.179 4.481 4.660 -0.000 0.000 0.313 458 W C 1.808 178.322 176.519 -0.008 0.000 1.221 458 W CA 0.815 58.185 57.345 0.041 0.000 1.266 458 W CB -0.186 29.293 29.460 0.032 0.000 1.150 458 W HN 0.489 nan 8.180 nan 0.000 0.496 459 D N -0.322 120.270 120.400 0.321 0.000 2.092 459 D HA -0.226 4.414 4.640 -0.000 0.000 0.193 459 D C 1.858 178.315 176.300 0.262 0.000 0.994 459 D CA 1.965 56.119 54.000 0.257 0.000 0.828 459 D CB -0.607 40.322 40.800 0.215 0.000 0.963 459 D HN 0.239 nan 8.370 nan 0.000 0.450 460 N N -1.430 117.365 118.700 0.158 0.000 2.407 460 N HA 0.101 4.841 4.740 -0.000 0.000 0.182 460 N C 1.383 176.671 175.510 -0.371 0.000 1.079 460 N CA 1.031 54.081 53.050 0.001 0.000 0.882 460 N CB 0.477 38.978 38.487 0.023 0.000 1.106 460 N HN 0.279 nan 8.380 nan 0.000 0.461 461 G N -0.511 108.087 108.800 -0.337 0.000 2.163 461 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.213 461 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.213 461 G C -0.296 174.473 174.900 -0.219 0.000 0.991 461 G CA 0.200 44.890 45.100 -0.684 0.000 0.653 461 G HN 0.431 nan 8.290 nan 0.000 0.518 462 T N 1.496 116.048 114.554 -0.004 0.000 2.884 462 T HA 0.449 4.799 4.350 -0.000 0.000 0.298 462 T C 0.525 175.342 174.700 0.196 0.000 0.998 462 T CA -0.093 62.080 62.100 0.120 0.000 1.124 462 T CB 1.621 70.579 68.868 0.150 0.000 0.931 462 T HN 0.658 nan 8.240 nan 0.000 0.531 463 L N 5.208 126.526 121.223 0.158 0.000 2.455 463 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 463 L C 0.869 177.655 176.870 -0.140 0.000 1.174 463 L CA 0.554 55.273 54.840 -0.201 0.000 0.869 463 L CB 0.476 42.432 42.059 -0.172 0.000 1.130 463 L HN 0.542 nan 8.230 nan 0.000 0.474 464 V N 4.228 123.993 119.914 -0.249 0.000 3.085 464 V HA 0.334 4.454 4.120 -0.000 0.000 0.245 464 V C 0.619 176.719 176.094 0.011 0.000 1.114 464 V CA 0.753 62.938 62.300 -0.193 0.000 1.108 464 V CB -0.428 31.171 31.823 -0.373 0.000 0.798 464 V HN 0.949 nan 8.190 nan 0.000 0.471 465 R N -0.046 120.408 120.500 -0.076 0.000 3.062 465 R HA 0.346 4.686 4.340 -0.000 0.000 0.279 465 R C -1.297 174.785 176.300 -0.365 0.000 1.003 465 R CA -0.556 55.481 56.100 -0.106 0.000 0.872 465 R CB 0.855 31.230 30.300 0.125 0.000 1.280 465 R HN 0.100 nan 8.270 nan 0.000 0.516 466 R N 3.933 124.143 120.500 -0.482 0.000 2.494 466 R HA 0.524 4.864 4.340 -0.000 0.000 0.305 466 R C -0.828 175.064 176.300 -0.680 0.000 0.959 466 R CA -0.747 54.879 56.100 -0.791 0.000 0.864 466 R CB 1.101 30.768 30.300 -1.055 0.000 1.159 466 R HN 0.513 nan 8.270 nan 0.000 0.446 467 I N 3.264 123.420 120.570 -0.690 0.000 2.412 467 I HA 0.193 4.363 4.170 -0.000 0.000 0.296 467 I C -0.447 175.485 176.117 -0.308 0.000 0.987 467 I CA -0.753 60.247 61.300 -0.501 0.000 1.180 467 I CB 1.726 39.410 38.000 -0.525 0.000 1.340 467 I HN 0.613 nan 8.210 nan 0.000 0.455 468 D N 5.075 125.358 120.400 -0.195 0.000 2.631 468 D HA 0.321 4.961 4.640 -0.000 0.000 0.227 468 D C -0.382 175.866 176.300 -0.085 0.000 1.146 468 D CA 0.418 54.453 54.000 0.059 0.000 1.009 468 D CB 0.393 41.228 40.800 0.058 0.000 1.057 468 D HN 0.222 nan 8.370 nan 0.000 0.509 469 V N 2.229 122.088 119.914 -0.093 0.000 2.781 469 V HA 0.178 4.298 4.120 -0.000 0.000 0.289 469 V C -1.453 174.594 176.094 -0.079 0.000 1.275 469 V CA -1.107 61.113 62.300 -0.134 0.000 0.936 469 V CB 1.283 32.956 31.823 -0.249 0.000 1.074 469 V HN 0.528 nan 8.190 nan 0.000 0.444 470 N N 6.111 124.776 118.700 -0.057 0.000 2.421 470 N HA 0.600 5.340 4.740 -0.000 0.000 0.260 470 N C 0.067 175.597 175.510 0.032 0.000 1.173 470 N CA 0.126 53.170 53.050 -0.010 0.000 0.960 470 N CB 1.628 40.101 38.487 -0.024 0.000 1.273 470 N HN 0.982 nan 8.380 nan 0.000 0.497 471 A N 2.684 125.528 122.820 0.040 0.000 2.287 471 A HA 0.175 4.495 4.320 -0.000 0.000 0.273 471 A C 1.064 178.748 177.584 0.166 0.000 1.091 471 A CA -0.714 51.353 52.037 0.051 0.000 0.817 471 A CB 0.546 19.499 19.000 -0.078 0.000 1.069 471 A HN 0.910 nan 8.150 nan 0.000 0.492 472 K N -0.739 119.761 120.400 0.167 0.000 2.355 472 K HA 0.305 4.625 4.320 -0.000 0.000 0.198 472 K C -0.702 176.103 176.600 0.343 0.000 1.039 472 K CA 0.293 56.722 56.287 0.236 0.000 1.075 472 K CB 0.387 32.984 32.500 0.161 0.000 0.870 472 K HN 0.521 nan 8.250 nan 0.000 0.540 473 D N -0.111 120.432 120.400 0.238 0.000 2.685 473 D HA 0.268 4.908 4.640 -0.000 0.000 0.236 473 D C -1.940 174.273 176.300 -0.146 0.000 1.233 473 D CA -0.515 53.634 54.000 0.248 0.000 0.760 473 D CB 2.536 43.493 40.800 0.263 0.000 1.410 473 D HN -0.110 nan 8.370 nan 0.000 0.439 474 V N 3.002 122.801 119.914 -0.191 0.000 2.524 474 V HA 0.529 4.649 4.120 -0.000 0.000 0.297 474 V C -0.309 175.891 176.094 0.176 0.000 1.035 474 V CA -0.539 61.650 62.300 -0.185 0.000 0.867 474 V CB 1.528 33.089 31.823 -0.436 0.000 1.004 474 V HN 0.466 nan 8.190 nan 0.000 0.426 475 I N 3.954 124.634 120.570 0.183 0.000 2.418 475 I HA 0.451 4.621 4.170 -0.000 0.000 0.287 475 I C -0.922 175.438 176.117 0.406 0.000 1.008 475 I CA -0.303 61.246 61.300 0.415 0.000 1.104 475 I CB 1.774 40.099 38.000 0.541 0.000 1.264 475 I HN 0.527 nan 8.210 nan 0.000 0.438 476 W N 4.279 125.790 121.300 0.352 0.000 2.516 476 W HA 0.486 5.146 4.660 -0.000 0.000 0.343 476 W C 0.686 177.251 176.519 0.077 0.000 1.094 476 W CA -0.294 57.140 57.345 0.148 0.000 1.250 476 W CB 1.613 31.127 29.460 0.089 0.000 1.308 476 W HN 0.457 nan 8.180 nan 0.000 0.588 477 S N 0.208 115.859 115.700 -0.081 0.000 2.632 477 S HA 0.139 4.609 4.470 -0.000 0.000 0.267 477 S C 0.472 175.139 174.600 0.111 0.000 1.276 477 S CA -0.337 57.755 58.200 -0.181 0.000 0.998 477 S CB 1.283 64.125 63.200 -0.597 0.000 0.953 477 S HN 0.518 nan 8.310 nan 0.000 0.547 478 D N 1.618 122.100 120.400 0.136 0.000 2.104 478 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 478 D C 1.653 178.004 176.300 0.084 0.000 0.994 478 D CA 1.950 56.024 54.000 0.124 0.000 0.830 478 D CB -0.424 40.449 40.800 0.122 0.000 0.959 478 D HN 0.837 nan 8.370 nan 0.000 0.452 479 N N 0.118 118.855 118.700 0.062 0.000 2.609 479 N HA -0.010 4.730 4.740 -0.000 0.000 0.190 479 N C 1.201 176.757 175.510 0.076 0.000 1.157 479 N CA 1.027 54.108 53.050 0.051 0.000 0.918 479 N CB -0.487 38.020 38.487 0.033 0.000 0.978 479 N HN 0.186 nan 8.380 nan 0.000 0.448 480 G N -0.298 108.574 108.800 0.120 0.000 2.225 480 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.267 480 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.267 480 G C 0.540 175.653 174.900 0.355 0.000 1.024 480 G CA 0.734 45.963 45.100 0.215 0.000 0.784 480 G HN 0.561 nan 8.290 nan 0.000 0.507 481 E N -1.290 119.031 120.200 0.202 0.000 2.340 481 E HA 0.311 4.661 4.350 -0.000 0.000 0.198 481 E C 1.072 177.713 176.600 0.068 0.000 0.961 481 E CA 0.094 56.584 56.400 0.150 0.000 0.905 481 E CB 0.415 30.133 29.700 0.031 0.000 0.884 481 E HN 0.518 nan 8.360 nan 0.000 0.491 482 L N 1.061 122.218 121.223 -0.109 0.000 2.334 482 L HA 0.561 4.901 4.340 -0.000 0.000 0.273 482 L C -0.835 175.730 176.870 -0.508 0.000 1.013 482 L CA -0.918 53.711 54.840 -0.351 0.000 0.816 482 L CB 2.407 44.044 42.059 -0.702 0.000 1.278 482 L HN -0.154 nan 8.230 nan 0.000 0.431 483 V N 3.559 123.196 119.914 -0.462 0.000 2.808 483 V HA 0.544 4.664 4.120 -0.000 0.000 0.308 483 V C -1.129 174.872 176.094 -0.156 0.000 1.099 483 V CA -0.513 61.438 62.300 -0.582 0.000 0.920 483 V CB 2.304 33.279 31.823 -1.413 0.000 1.014 483 V HN 0.772 nan 8.190 nan 0.000 0.425 484 M N 7.300 126.916 119.600 0.026 0.000 2.268 484 M HA 0.646 5.126 4.480 -0.000 0.000 0.344 484 M C -1.317 174.913 176.300 -0.117 0.000 1.106 484 M CA -0.002 55.258 55.300 -0.067 0.000 1.010 484 M CB 1.268 33.649 32.600 -0.365 0.000 1.649 484 M HN 0.530 nan 8.290 nan 0.000 0.443 485 I N 6.018 126.529 120.570 -0.099 0.000 2.359 485 I HA 0.299 4.469 4.170 -0.000 0.000 0.284 485 I C -0.839 175.260 176.117 -0.029 0.000 1.018 485 I CA -1.005 60.253 61.300 -0.070 0.000 1.173 485 I CB 1.206 39.175 38.000 -0.052 0.000 1.326 485 I HN 0.379 nan 8.210 nan 0.000 0.462 486 V N 6.325 126.212 119.914 -0.044 0.000 2.439 486 V HA 0.043 4.163 4.120 -0.000 0.000 0.271 486 V C 0.602 176.710 176.094 0.024 0.000 1.040 486 V CA -0.240 62.044 62.300 -0.027 0.000 1.002 486 V CB 0.574 32.410 31.823 0.022 0.000 1.000 486 V HN 0.735 nan 8.190 nan 0.000 0.477 487 N N 3.362 122.083 118.700 0.035 0.000 2.525 487 N HA 0.085 4.825 4.740 -0.000 0.000 0.271 487 N C 1.170 176.711 175.510 0.052 0.000 1.194 487 N CA -0.263 52.835 53.050 0.079 0.000 0.964 487 N CB 1.184 39.754 38.487 0.138 0.000 1.126 487 N HN 0.658 nan 8.380 nan 0.000 0.452 488 T N 1.739 116.329 114.554 0.060 0.000 2.746 488 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 488 T C 0.735 175.461 174.700 0.043 0.000 1.039 488 T CA 0.935 63.069 62.100 0.058 0.000 1.142 488 T CB -0.494 68.407 68.868 0.056 0.000 0.866 488 T HN 0.843 nan 8.240 nan 0.000 0.444 489 N N 1.510 120.232 118.700 0.037 0.000 2.702 489 N HA -0.165 4.575 4.740 -0.000 0.000 0.261 489 N C -0.120 175.404 175.510 0.023 0.000 0.965 489 N CA 0.536 53.601 53.050 0.025 0.000 0.795 489 N CB -1.021 37.472 38.487 0.010 0.000 0.909 489 N HN 0.333 nan 8.380 nan 0.000 0.546 490 S N 0.493 116.209 115.700 0.027 0.000 2.634 490 S HA 0.370 4.840 4.470 -0.000 0.000 0.261 490 S C 1.277 175.891 174.600 0.022 0.000 1.271 490 S CA 0.449 58.666 58.200 0.029 0.000 0.985 490 S CB 0.719 63.939 63.200 0.033 0.000 0.968 490 S HN 0.858 nan 8.310 nan 0.000 0.568 491 N N 0.609 119.323 118.700 0.024 0.000 2.679 491 N HA -0.222 4.518 4.740 -0.000 0.000 0.208 491 N C 0.804 176.324 175.510 0.016 0.000 1.118 491 N CA 2.950 56.011 53.050 0.019 0.000 1.882 491 N CB -1.823 36.673 38.487 0.015 0.000 0.903 491 N HN 1.476 nan 8.380 nan 0.000 0.525 492 G N 0.822 109.630 108.800 0.013 0.000 4.020 492 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.195 492 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.195 492 G C 0.014 174.916 174.900 0.004 0.000 1.819 492 G CA 1.023 46.128 45.100 0.009 0.000 1.109 492 G HN 0.771 nan 8.290 nan 0.000 0.385 493 D N 0.929 121.332 120.400 0.005 0.000 1.864 493 D HA 0.318 4.958 4.640 -0.000 0.000 0.255 493 D C 0.890 177.189 176.300 -0.001 0.000 1.119 493 D CA 0.989 54.991 54.000 0.002 0.000 0.941 493 D CB -0.092 40.712 40.800 0.007 0.000 1.300 493 D HN 0.651 nan 8.370 nan 0.000 0.485 494 E N -2.309 117.895 120.200 0.006 0.000 9.187 494 E HA -0.192 4.158 4.350 -0.000 0.000 0.441 494 E C -1.050 175.526 176.600 -0.040 0.000 1.402 494 E CA 0.540 56.947 56.400 0.012 0.000 2.434 494 E CB -0.590 29.135 29.700 0.041 0.000 1.045 494 E HN 0.491 nan 8.360 nan 0.000 0.401 495 A N 0.753 123.518 122.820 -0.093 0.000 2.286 495 A HA 0.378 4.698 4.320 -0.000 0.000 0.286 495 A C 1.215 178.640 177.584 -0.265 0.000 1.097 495 A CA 0.240 52.119 52.037 -0.263 0.000 0.821 495 A CB 0.912 19.570 19.000 -0.569 0.000 1.076 495 A HN 0.691 nan 8.150 nan 0.000 0.490 496 S N 0.821 116.360 115.700 -0.269 0.000 2.428 496 S HA 0.376 4.846 4.470 -0.000 0.000 0.230 496 S C 0.852 175.295 174.600 -0.261 0.000 1.014 496 S CA 0.685 58.760 58.200 -0.207 0.000 0.957 496 S CB -0.286 62.807 63.200 -0.178 0.000 0.784 496 S HN 2.040 nan 8.310 nan 0.000 0.499 497 G N -0.764 107.764 108.800 -0.453 0.000 2.547 497 G HA2 0.536 4.496 3.960 -0.000 0.000 0.291 497 G HA3 0.536 4.496 3.960 -0.000 0.000 0.291 497 G C -2.137 172.399 174.900 -0.607 0.000 1.471 497 G CA -0.975 43.880 45.100 -0.409 0.000 0.798 497 G HN 0.152 nan 8.290 nan 0.000 0.504 498 Y N -0.018 120.156 120.300 -0.210 0.000 2.462 498 Y HA 0.672 5.222 4.550 -0.000 0.000 0.346 498 Y C 0.554 176.367 175.900 -0.144 0.000 0.976 498 Y CA -0.952 57.056 58.100 -0.153 0.000 1.044 498 Y CB 2.627 41.026 38.460 -0.102 0.000 1.230 498 Y HN 0.619 nan 8.280 nan 0.000 0.455 499 T N 1.966 116.573 114.554 0.088 0.000 2.758 499 T HA 0.788 5.138 4.350 -0.000 0.000 0.285 499 T C -0.706 174.090 174.700 0.160 0.000 0.981 499 T CA -0.704 61.480 62.100 0.139 0.000 0.965 499 T CB 0.324 69.378 68.868 0.310 0.000 0.927 499 T HN 0.503 nan 8.240 nan 0.000 0.448 500 L N 2.924 124.208 121.223 0.102 0.000 2.322 500 L HA 0.684 5.024 4.340 -0.000 0.000 0.269 500 L C -0.675 176.256 176.870 0.102 0.000 1.012 500 L CA -1.537 53.381 54.840 0.130 0.000 0.815 500 L CB 1.886 44.068 42.059 0.206 0.000 1.295 500 L HN 0.510 nan 8.230 nan 0.000 0.438 501 L N 1.687 122.980 121.223 0.116 0.000 2.305 501 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 501 L C -0.959 175.933 176.870 0.037 0.000 1.013 501 L CA -0.083 54.792 54.840 0.058 0.000 0.819 501 L CB 1.220 43.300 42.059 0.036 0.000 1.227 501 L HN 0.327 nan 8.230 nan 0.000 0.417 502 F N 5.467 125.292 119.950 -0.208 0.000 2.404 502 F HA 0.406 4.933 4.527 -0.000 0.000 0.358 502 F C 0.157 175.808 175.800 -0.248 0.000 1.120 502 F CA -0.644 57.091 58.000 -0.441 0.000 1.144 502 F CB 0.414 39.208 39.000 -0.343 0.000 1.133 502 F HN 0.573 nan 8.300 nan 0.000 0.495 503 N N 6.367 124.694 118.700 -0.622 0.000 2.767 503 N HA 0.058 4.798 4.740 -0.000 0.000 0.238 503 N C 1.041 176.022 175.510 -0.882 0.000 1.083 503 N CA 0.077 52.801 53.050 -0.543 0.000 0.964 503 N CB 0.554 38.882 38.487 -0.265 0.000 1.252 503 N HN 0.869 nan 8.380 nan 0.000 0.512 504 K N 2.251 121.985 120.400 -1.110 0.000 2.063 504 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 504 K C 0.356 176.768 176.600 -0.314 0.000 1.048 504 K CA 1.679 57.423 56.287 -0.906 0.000 0.928 504 K CB 0.272 32.477 32.500 -0.493 0.000 0.713 504 K HN 0.352 nan 8.250 nan 0.000 0.442 505 D N 0.103 120.353 120.400 -0.249 0.000 2.144 505 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 505 D C 1.719 177.944 176.300 -0.125 0.000 0.984 505 D CA 1.315 55.226 54.000 -0.149 0.000 0.834 505 D CB -0.145 40.582 40.800 -0.122 0.000 0.955 505 D HN 0.359 nan 8.370 nan 0.000 0.465 506 A N 0.043 122.785 122.820 -0.130 0.000 1.940 506 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 506 A C 2.151 179.732 177.584 -0.004 0.000 1.176 506 A CA 1.557 53.554 52.037 -0.067 0.000 0.631 506 A CB -1.027 17.934 19.000 -0.065 0.000 0.814 506 A HN 0.439 nan 8.150 nan 0.000 0.446 507 Y N 0.506 120.751 120.300 -0.092 0.000 2.184 507 Y HA -0.071 4.479 4.550 -0.000 0.000 0.290 507 Y C 1.856 177.762 175.900 0.009 0.000 1.129 507 Y CA 1.497 59.600 58.100 0.006 0.000 1.144 507 Y CB -0.554 37.967 38.460 0.102 0.000 0.995 507 Y HN 0.183 nan 8.280 nan 0.000 0.513 508 L N 0.301 121.233 121.223 -0.485 0.000 2.079 508 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 508 L C 2.434 179.110 176.870 -0.324 0.000 1.081 508 L CA 1.878 56.402 54.840 -0.526 0.000 0.752 508 L CB -0.623 41.285 42.059 -0.250 0.000 0.896 508 L HN 0.330 nan 8.230 nan 0.000 0.433 509 E N 0.182 120.264 120.200 -0.197 0.000 2.031 509 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 509 E C 2.352 178.886 176.600 -0.110 0.000 0.994 509 E CA 1.185 57.511 56.400 -0.123 0.000 0.800 509 E CB -0.190 29.462 29.700 -0.079 0.000 0.752 509 E HN 0.493 nan 8.360 nan 0.000 0.447 510 A N 1.678 124.444 122.820 -0.089 0.000 1.892 510 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 510 A C 2.425 179.971 177.584 -0.064 0.000 1.188 510 A CA 2.115 54.129 52.037 -0.039 0.000 0.631 510 A CB -0.826 18.195 19.000 0.035 0.000 0.822 510 A HN 0.318 nan 8.150 nan 0.000 0.447 511 A N -0.231 122.490 122.820 -0.164 0.000 1.933 511 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 511 A C 2.053 179.569 177.584 -0.113 0.000 1.175 511 A CA 1.792 53.734 52.037 -0.158 0.000 0.628 511 A CB -0.658 18.106 19.000 -0.393 0.000 0.814 511 A HN 0.649 nan 8.150 nan 0.000 0.444 512 N N -0.046 118.576 118.700 -0.130 0.000 2.354 512 N HA -0.113 4.627 4.740 -0.000 0.000 0.179 512 N C 0.925 176.403 175.510 -0.054 0.000 1.021 512 N CA 0.992 53.990 53.050 -0.086 0.000 0.887 512 N CB -0.217 38.216 38.487 -0.090 0.000 0.974 512 N HN 0.430 nan 8.380 nan 0.000 0.437 513 N N 0.397 119.068 118.700 -0.048 0.000 2.354 513 N HA -0.025 4.715 4.740 -0.000 0.000 0.179 513 N C 1.067 176.565 175.510 -0.020 0.000 1.021 513 N CA 1.101 54.134 53.050 -0.030 0.000 0.887 513 N CB -0.250 38.223 38.487 -0.023 0.000 0.974 513 N HN 0.381 nan 8.380 nan 0.000 0.437 514 G N 1.462 110.249 108.800 -0.020 0.000 2.147 514 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 514 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 514 G C 0.042 174.943 174.900 0.002 0.000 1.005 514 G CA 0.395 45.490 45.100 -0.008 0.000 0.713 514 G HN 0.687 nan 8.290 nan 0.000 0.515 515 N N -0.613 118.091 118.700 0.005 0.000 2.416 515 N HA 0.400 5.140 4.740 -0.000 0.000 0.267 515 N C 0.438 175.961 175.510 0.022 0.000 1.294 515 N CA -0.831 52.225 53.050 0.011 0.000 0.891 515 N CB 0.645 39.135 38.487 0.004 0.000 1.238 515 N HN 0.351 nan 8.380 nan 0.000 0.508 516 I N 0.932 121.524 120.570 0.037 0.000 2.634 516 I HA -0.005 4.165 4.170 -0.000 0.000 0.284 516 I C 0.250 176.389 176.117 0.037 0.000 1.124 516 I CA -0.213 61.120 61.300 0.055 0.000 1.417 516 I CB 0.590 38.651 38.000 0.102 0.000 1.396 516 I HN 0.189 nan 8.210 nan 0.000 0.571 517 D N 4.601 125.016 120.400 0.025 0.000 2.339 517 D HA 0.002 4.642 4.640 -0.000 0.000 0.256 517 D C 0.758 177.061 176.300 0.005 0.000 1.214 517 D CA -0.087 53.917 54.000 0.007 0.000 0.877 517 D CB 0.730 41.522 40.800 -0.013 0.000 1.111 517 D HN 0.362 nan 8.370 nan 0.000 0.478 518 D N 1.768 122.178 120.400 0.015 0.000 2.203 518 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 518 D C 1.558 177.872 176.300 0.023 0.000 0.997 518 D CA 1.116 55.135 54.000 0.031 0.000 0.863 518 D CB 0.142 40.967 40.800 0.042 0.000 0.928 518 D HN 0.325 nan 8.370 nan 0.000 0.458 519 S N -0.188 115.503 115.700 -0.015 0.000 2.388 519 S HA 0.002 4.472 4.470 -0.000 0.000 0.223 519 S C 1.491 176.022 174.600 -0.114 0.000 1.034 519 S CA 0.657 58.828 58.200 -0.050 0.000 0.963 519 S CB 0.143 63.293 63.200 -0.084 0.000 0.827 519 S HN 0.347 nan 8.310 nan 0.000 0.481 520 E N -0.066 120.055 120.200 -0.132 0.000 2.541 520 E HA 0.389 4.739 4.350 -0.000 0.000 0.219 520 E C 0.955 177.460 176.600 -0.159 0.000 0.922 520 E CA 0.188 56.461 56.400 -0.211 0.000 1.095 520 E CB 0.998 30.579 29.700 -0.198 0.000 1.112 520 E HN 0.402 nan 8.360 nan 0.000 0.516 521 G N 1.248 110.001 108.800 -0.079 0.000 2.512 521 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.240 521 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.240 521 G C -0.281 174.639 174.900 0.033 0.000 1.246 521 G CA -0.352 44.734 45.100 -0.023 0.000 0.919 521 G HN 0.084 nan 8.290 nan 0.000 0.577 522 V N 1.975 121.950 119.914 0.102 0.000 2.320 522 V HA 0.286 4.406 4.120 -0.000 0.000 0.265 522 V C 1.474 177.647 176.094 0.132 0.000 1.048 522 V CA 0.661 63.042 62.300 0.135 0.000 0.865 522 V CB 1.025 32.983 31.823 0.224 0.000 1.043 522 V HN 0.779 nan 8.190 nan 0.000 0.474 523 D N 3.796 124.240 120.400 0.074 0.000 2.170 523 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 523 D C 1.632 177.986 176.300 0.091 0.000 1.004 523 D CA 1.820 55.856 54.000 0.061 0.000 0.860 523 D CB 0.366 41.181 40.800 0.025 0.000 0.931 523 D HN 0.721 nan 8.370 nan 0.000 0.448 524 E N -0.219 120.029 120.200 0.080 0.000 2.478 524 E HA 0.064 4.414 4.350 -0.000 0.000 0.198 524 E C 1.668 178.310 176.600 0.070 0.000 1.046 524 E CA 0.546 56.983 56.400 0.062 0.000 0.870 524 E CB -0.161 29.559 29.700 0.033 0.000 0.818 524 E HN 0.326 nan 8.360 nan 0.000 0.527 525 A N 0.132 123.039 122.820 0.145 0.000 1.872 525 A HA 0.030 4.350 4.320 -0.000 0.000 0.214 525 A C 0.420 178.005 177.584 0.001 0.000 1.187 525 A CA 0.813 52.915 52.037 0.108 0.000 0.614 525 A CB -0.061 19.120 19.000 0.303 0.000 0.826 525 A HN 0.159 nan 8.150 nan 0.000 0.442 526 F N -0.208 119.835 119.950 0.155 0.000 2.492 526 F HA 0.550 5.077 4.527 -0.000 0.000 0.327 526 F C -0.374 175.455 175.800 0.049 0.000 1.079 526 F CA -1.075 57.000 58.000 0.124 0.000 0.967 526 F CB 1.548 40.607 39.000 0.098 0.000 1.169 526 F HN 0.001 nan 8.300 nan 0.000 0.472 527 D N 1.264 121.795 120.400 0.218 0.000 2.896 527 D HA 0.320 4.960 4.640 -0.000 0.000 0.241 527 D C -1.097 175.258 176.300 0.091 0.000 1.188 527 D CA -0.235 53.830 54.000 0.109 0.000 0.879 527 D CB 3.065 43.896 40.800 0.052 0.000 1.553 527 D HN 0.111 nan 8.370 nan 0.000 0.515 528 V N 3.324 123.271 119.914 0.056 0.000 2.555 528 V HA 0.040 4.160 4.120 -0.000 0.000 0.286 528 V C 1.052 177.135 176.094 -0.017 0.000 1.044 528 V CA -0.015 62.314 62.300 0.048 0.000 1.026 528 V CB 1.251 33.103 31.823 0.049 0.000 0.981 528 V HN 0.466 nan 8.190 nan 0.000 0.480 529 L N 4.736 125.941 121.223 -0.031 0.000 2.445 529 L HA 0.413 4.753 4.340 -0.000 0.000 0.207 529 L C -0.126 176.349 176.870 -0.659 0.000 1.053 529 L CA 1.021 55.685 54.840 -0.294 0.000 0.841 529 L CB -0.125 41.884 42.059 -0.082 0.000 1.074 529 L HN 0.654 nan 8.230 nan 0.000 0.479 530 Y N -1.384 119.008 120.300 0.155 0.000 2.689 530 Y HA 0.475 5.025 4.550 -0.000 0.000 0.333 530 Y C -0.746 175.151 175.900 -0.004 0.000 1.208 530 Y CA -1.710 56.470 58.100 0.133 0.000 1.055 530 Y CB 1.243 39.893 38.460 0.318 0.000 1.304 530 Y HN 0.004 nan 8.280 nan 0.000 0.455 531 E N 1.576 121.818 120.200 0.071 0.000 2.343 531 E HA 0.419 4.769 4.350 -0.000 0.000 0.260 531 E C -1.566 174.865 176.600 -0.282 0.000 0.908 531 E CA -0.765 55.486 56.400 -0.248 0.000 0.814 531 E CB 1.169 30.682 29.700 -0.312 0.000 1.302 531 E HN 0.365 nan 8.360 nan 0.000 0.408 532 L N 2.159 123.117 121.223 -0.441 0.000 2.473 532 L HA 0.068 4.408 4.340 -0.000 0.000 0.265 532 L C 1.488 178.191 176.870 -0.278 0.000 1.243 532 L CA 0.768 55.366 54.840 -0.402 0.000 0.822 532 L CB 0.662 42.367 42.059 -0.591 0.000 1.101 532 L HN 0.958 nan 8.230 nan 0.000 0.507 533 S N -1.768 113.827 115.700 -0.176 0.000 2.670 533 S HA 0.145 4.615 4.470 -0.000 0.000 0.241 533 S C 0.444 174.997 174.600 -0.078 0.000 1.077 533 S CA -0.499 57.633 58.200 -0.114 0.000 0.899 533 S CB 0.329 63.493 63.200 -0.061 0.000 0.835 533 S HN 0.595 nan 8.310 nan 0.000 0.481 534 E N 3.244 123.418 120.200 -0.044 0.000 2.373 534 E HA 0.280 4.630 4.350 -0.000 0.000 0.267 534 E C -0.197 176.417 176.600 0.022 0.000 1.032 534 E CA -0.035 56.385 56.400 0.034 0.000 0.889 534 E CB 0.994 30.797 29.700 0.172 0.000 0.984 534 E HN 0.614 nan 8.360 nan 0.000 0.425 535 S N 2.499 118.228 115.700 0.049 0.000 2.549 535 S HA 0.158 4.628 4.470 -0.000 0.000 0.286 535 S C 0.129 174.801 174.600 0.121 0.000 1.314 535 S CA -0.335 57.892 58.200 0.045 0.000 1.062 535 S CB 0.224 63.447 63.200 0.040 0.000 0.865 535 S HN 0.355 nan 8.310 nan 0.000 0.498 536 I N 2.936 123.548 120.570 0.070 0.000 2.382 536 I HA 0.211 4.381 4.170 -0.000 0.000 0.285 536 I C 0.796 176.996 176.117 0.137 0.000 1.007 536 I CA -0.476 60.906 61.300 0.137 0.000 1.142 536 I CB 1.642 39.640 38.000 -0.002 0.000 1.289 536 I HN 0.729 nan 8.210 nan 0.000 0.453 537 T N 2.616 117.259 114.554 0.148 0.000 3.044 537 T HA 0.075 4.425 4.350 -0.000 0.000 0.255 537 T C 0.446 175.244 174.700 0.163 0.000 1.073 537 T CA 0.594 62.761 62.100 0.113 0.000 1.125 537 T CB 0.124 68.994 68.868 0.003 0.000 0.908 537 T HN 0.760 nan 8.240 nan 0.000 0.480 538 S N -0.792 115.007 115.700 0.165 0.000 2.586 538 S HA 0.659 5.129 4.470 -0.000 0.000 0.277 538 S C -0.833 173.845 174.600 0.131 0.000 1.131 538 S CA -0.564 57.746 58.200 0.184 0.000 0.848 538 S CB 1.601 64.922 63.200 0.203 0.000 1.091 538 S HN 0.392 nan 8.310 nan 0.000 0.453 539 G N 1.063 109.920 108.800 0.095 0.000 2.698 539 G HA2 0.691 4.651 3.960 -0.000 0.000 0.293 539 G HA3 0.691 4.651 3.960 -0.000 0.000 0.293 539 G C -2.199 172.601 174.900 -0.167 0.000 1.437 539 G CA -0.911 44.065 45.100 -0.207 0.000 0.852 539 G HN 0.622 nan 8.290 nan 0.000 0.499 540 K N 0.131 120.287 120.400 -0.407 0.000 2.525 540 K HA 0.293 4.613 4.320 -0.000 0.000 0.254 540 K C -1.686 174.829 176.600 -0.142 0.000 0.934 540 K CA -0.519 55.724 56.287 -0.074 0.000 0.802 540 K CB 2.582 35.117 32.500 0.058 0.000 1.295 540 K HN 0.547 nan 8.250 nan 0.000 0.433 541 W N 1.414 122.795 121.300 0.136 0.000 2.351 541 W HA 0.375 5.035 4.660 -0.000 0.000 0.311 541 W C 0.087 176.661 176.519 0.093 0.000 1.168 541 W CA -0.593 56.858 57.345 0.177 0.000 1.200 541 W CB 1.235 30.861 29.460 0.276 0.000 1.221 541 W HN 0.066 nan 8.180 nan 0.000 0.519 542 V N 5.215 125.278 119.914 0.248 0.000 2.325 542 V HA 0.645 4.765 4.120 -0.000 0.000 0.280 542 V C 0.777 176.943 176.094 0.120 0.000 1.016 542 V CA 0.016 62.359 62.300 0.073 0.000 0.818 542 V CB 0.365 32.024 31.823 -0.273 0.000 1.019 542 V HN 0.994 nan 8.190 nan 0.000 0.434 543 G N 5.268 114.166 108.800 0.162 0.000 2.556 543 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.283 543 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.283 543 G C 0.163 175.214 174.900 0.251 0.000 1.177 543 G CA 0.545 45.727 45.100 0.137 0.000 0.978 543 G HN 0.617 nan 8.290 nan 0.000 0.554 544 D N 0.425 120.968 120.400 0.237 0.000 2.388 544 D HA 0.404 5.044 4.640 -0.000 0.000 0.221 544 D C 0.449 177.085 176.300 0.560 0.000 1.133 544 D CA 0.185 54.417 54.000 0.387 0.000 0.831 544 D CB 0.669 41.607 40.800 0.230 0.000 0.962 544 D HN 0.383 nan 8.370 nan 0.000 0.502 545 V N 1.640 121.794 119.914 0.401 0.000 2.370 545 V HA 0.257 4.377 4.120 -0.000 0.000 0.279 545 V C -0.354 175.856 176.094 0.193 0.000 1.029 545 V CA -0.943 61.488 62.300 0.218 0.000 0.870 545 V CB 1.231 33.015 31.823 -0.066 0.000 0.984 545 V HN -0.011 nan 8.190 nan 0.000 0.451 546 F N 6.870 126.736 119.950 -0.140 0.000 2.350 546 F HA 0.545 5.072 4.527 -0.000 0.000 0.365 546 F C 0.067 175.841 175.800 -0.043 0.000 1.122 546 F CA -0.911 56.778 58.000 -0.518 0.000 1.139 546 F CB 0.358 38.763 39.000 -0.992 0.000 1.220 546 F HN 0.276 nan 8.300 nan 0.000 0.499 547 I N 7.416 127.703 120.570 -0.472 0.000 2.581 547 I HA 0.331 4.501 4.170 -0.000 0.000 0.288 547 I C -0.211 175.657 176.117 -0.416 0.000 1.047 547 I CA -0.499 60.647 61.300 -0.257 0.000 1.374 547 I CB 0.406 38.281 38.000 -0.207 0.000 1.423 547 I HN 0.609 nan 8.210 nan 0.000 0.549 548 F N 1.307 121.032 119.950 -0.375 0.000 2.693 548 F HA 0.580 5.107 4.527 -0.000 0.000 0.309 548 F C -0.758 174.948 175.800 -0.157 0.000 1.129 548 F CA -0.800 57.008 58.000 -0.319 0.000 0.948 548 F CB 1.365 40.222 39.000 -0.239 0.000 1.315 548 F HN 0.247 nan 8.300 nan 0.000 0.447 549 T N 1.542 116.099 114.554 0.006 0.000 2.907 549 T HA 0.542 4.892 4.350 -0.000 0.000 0.284 549 T C -0.590 174.120 174.700 0.016 0.000 1.004 549 T CA -0.201 61.834 62.100 -0.108 0.000 1.063 549 T CB 1.599 70.381 68.868 -0.144 0.000 0.992 549 T HN 0.808 nan 8.240 nan 0.000 0.483 550 T N 0.792 115.289 114.554 -0.095 0.000 2.932 550 T HA 0.573 4.923 4.350 -0.000 0.000 0.289 550 T C 1.218 175.885 174.700 -0.056 0.000 1.039 550 T CA -0.271 61.815 62.100 -0.023 0.000 1.024 550 T CB 1.112 69.927 68.868 -0.088 0.000 1.090 550 T HN 0.568 nan 8.240 nan 0.000 0.496 551 A N 1.016 123.826 122.820 -0.017 0.000 2.119 551 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 551 A C 1.808 179.366 177.584 -0.044 0.000 1.153 551 A CA 1.632 53.655 52.037 -0.023 0.000 0.692 551 A CB -0.685 18.319 19.000 0.006 0.000 0.799 551 A HN 0.856 nan 8.150 nan 0.000 0.458 552 T N -3.183 111.331 114.554 -0.066 0.000 3.206 552 T HA 0.183 4.533 4.350 -0.000 0.000 0.253 552 T C 0.249 174.878 174.700 -0.118 0.000 1.042 552 T CA 0.085 62.134 62.100 -0.084 0.000 0.931 552 T CB -0.398 68.411 68.868 -0.099 0.000 1.029 552 T HN 0.411 nan 8.240 nan 0.000 0.564 553 N N 1.258 119.888 118.700 -0.116 0.000 2.776 553 N HA -0.144 4.596 4.740 -0.000 0.000 0.249 553 N C -0.479 174.973 175.510 -0.097 0.000 1.111 553 N CA 0.568 53.555 53.050 -0.106 0.000 0.711 553 N CB -1.361 37.093 38.487 -0.055 0.000 1.065 553 N HN 0.642 nan 8.380 nan 0.000 0.556 554 R N -0.015 120.370 120.500 -0.192 0.000 2.668 554 R HA 0.596 4.936 4.340 -0.000 0.000 0.279 554 R C -0.161 176.005 176.300 -0.223 0.000 0.976 554 R CA -0.973 54.973 56.100 -0.257 0.000 0.978 554 R CB 1.405 31.451 30.300 -0.423 0.000 1.133 554 R HN 0.062 nan 8.270 nan 0.000 0.484 555 L N 2.289 123.410 121.223 -0.170 0.000 2.280 555 L HA 0.384 4.724 4.340 -0.000 0.000 0.287 555 L C -1.022 175.626 176.870 -0.370 0.000 1.023 555 L CA 0.106 54.799 54.840 -0.244 0.000 0.819 555 L CB 0.791 42.801 42.059 -0.082 0.000 1.212 555 L HN 0.619 nan 8.230 nan 0.000 0.420 556 N N 3.153 121.486 118.700 -0.612 0.000 2.577 556 N HA 0.669 5.409 4.740 -0.000 0.000 0.285 556 N C -1.861 173.454 175.510 -0.325 0.000 1.309 556 N CA -0.696 52.008 53.050 -0.577 0.000 0.798 556 N CB 1.911 39.865 38.487 -0.889 0.000 1.463 556 N HN 0.513 nan 8.380 nan 0.000 0.518 557 Y N -0.990 119.272 120.300 -0.063 0.000 2.504 557 Y HA 0.644 5.194 4.550 -0.000 0.000 0.344 557 Y C -1.963 174.177 175.900 0.401 0.000 1.023 557 Y CA -1.410 56.776 58.100 0.143 0.000 1.020 557 Y CB 0.805 39.263 38.460 -0.004 0.000 1.282 557 Y HN 0.462 nan 8.280 nan 0.000 0.454 558 F N 5.609 125.864 119.950 0.509 0.000 2.449 558 F HA 0.732 5.259 4.527 -0.000 0.000 0.342 558 F C -1.314 174.664 175.800 0.296 0.000 1.127 558 F CA -1.129 57.080 58.000 0.348 0.000 0.975 558 F CB 1.450 40.579 39.000 0.215 0.000 1.146 558 F HN 0.598 nan 8.300 nan 0.000 0.444 559 V N 3.304 123.009 119.914 -0.350 0.000 2.525 559 V HA 0.717 4.837 4.120 -0.000 0.000 0.299 559 V C 0.446 176.221 176.094 -0.531 0.000 1.034 559 V CA -0.645 61.504 62.300 -0.251 0.000 0.863 559 V CB 0.788 32.711 31.823 0.165 0.000 0.999 559 V HN 1.346 nan 8.190 nan 0.000 0.423 560 G N 2.435 110.925 108.800 -0.516 0.000 2.450 560 G HA2 0.133 4.093 3.960 -0.000 0.000 0.302 560 G HA3 0.133 4.093 3.960 -0.000 0.000 0.302 560 G C 1.368 175.749 174.900 -0.866 0.000 0.957 560 G CA 1.317 46.128 45.100 -0.482 0.000 1.005 560 G HN 2.774 nan 8.290 nan 0.000 0.514 561 G N -1.689 106.141 108.800 -1.616 0.000 2.279 561 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.223 561 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.223 561 G C 0.539 175.276 174.900 -0.273 0.000 1.015 561 G CA 0.768 45.421 45.100 -0.745 0.000 0.621 561 G HN 0.806 nan 8.290 nan 0.000 0.506 562 K N 1.061 121.251 120.400 -0.350 0.000 2.098 562 K HA 0.717 5.037 4.320 -0.000 0.000 0.258 562 K C -0.487 176.066 176.600 -0.078 0.000 0.973 562 K CA -0.109 56.099 56.287 -0.131 0.000 0.898 562 K CB 1.498 34.010 32.500 0.020 0.000 1.057 562 K HN 0.149 nan 8.250 nan 0.000 0.447 563 T N 1.941 116.410 114.554 -0.143 0.000 2.848 563 T HA 0.521 4.871 4.350 -0.000 0.000 0.285 563 T C -1.194 173.261 174.700 -0.409 0.000 0.995 563 T CA -0.549 61.553 62.100 0.004 0.000 0.970 563 T CB 0.432 69.403 68.868 0.172 0.000 0.976 563 T HN 0.234 nan 8.240 nan 0.000 0.441 564 Y N 1.813 121.896 120.300 -0.362 0.000 2.391 564 Y HA 0.400 4.950 4.550 -0.000 0.000 0.341 564 Y C 0.564 176.191 175.900 -0.455 0.000 0.965 564 Y CA -1.225 56.584 58.100 -0.485 0.000 1.067 564 Y CB 1.304 39.268 38.460 -0.827 0.000 1.199 564 Y HN 0.548 nan 8.280 nan 0.000 0.450 565 N N 2.085 120.702 118.700 -0.138 0.000 2.482 565 N HA 0.081 4.821 4.740 -0.000 0.000 0.260 565 N C -0.400 175.063 175.510 -0.079 0.000 1.236 565 N CA 0.097 53.079 53.050 -0.113 0.000 0.938 565 N CB 0.988 39.468 38.487 -0.012 0.000 1.128 565 N HN 0.691 nan 8.380 nan 0.000 0.448 566 L N 2.131 123.281 121.223 -0.122 0.000 2.663 566 L HA 0.515 4.855 4.340 -0.000 0.000 0.218 566 L C -0.134 176.642 176.870 -0.156 0.000 1.043 566 L CA 0.612 55.342 54.840 -0.184 0.000 0.876 566 L CB -0.289 41.512 42.059 -0.429 0.000 1.263 566 L HN 0.744 nan 8.230 nan 0.000 0.486 567 A N -2.193 120.551 122.820 -0.126 0.000 2.597 567 A HA 0.537 4.857 4.320 -0.000 0.000 0.292 567 A C -1.479 176.075 177.584 -0.049 0.000 1.057 567 A CA -0.566 51.417 52.037 -0.088 0.000 0.674 567 A CB 0.568 19.448 19.000 -0.199 0.000 1.278 567 A HN 0.192 nan 8.150 nan 0.000 0.416 568 H N 0.167 119.039 119.070 -0.331 0.000 2.466 568 H HA 0.538 5.094 4.556 -0.000 0.000 0.338 568 H C -1.415 173.682 175.328 -0.385 0.000 1.091 568 H CA -0.026 55.878 56.048 -0.239 0.000 1.207 568 H CB 1.462 31.131 29.762 -0.154 0.000 1.466 568 H HN 0.632 nan 8.280 nan 0.000 0.493 569 Y N 0.274 120.545 120.300 -0.048 0.000 2.567 569 Y HA 0.081 4.631 4.550 -0.000 0.000 0.333 569 Y C 1.561 177.406 175.900 -0.092 0.000 1.106 569 Y CA -0.624 57.414 58.100 -0.103 0.000 1.157 569 Y CB 1.745 40.089 38.460 -0.192 0.000 1.277 569 Y HN 0.568 nan 8.280 nan 0.000 0.490 570 T N 0.469 115.067 114.554 0.074 0.000 2.985 570 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 570 T C 0.040 174.738 174.700 -0.003 0.000 1.076 570 T CA 0.960 63.070 62.100 0.017 0.000 1.135 570 T CB -0.146 68.724 68.868 0.004 0.000 0.890 570 T HN 0.477 nan 8.240 nan 0.000 0.480 571 K N 0.547 120.935 120.400 -0.019 0.000 2.349 571 K HA 0.589 4.909 4.320 -0.000 0.000 0.243 571 K C -0.953 175.583 176.600 -0.107 0.000 1.058 571 K CA -1.002 55.253 56.287 -0.054 0.000 0.871 571 K CB 1.501 33.966 32.500 -0.058 0.000 1.337 571 K HN -0.072 nan 8.250 nan 0.000 0.469 572 E N 1.036 121.163 120.200 -0.121 0.000 2.316 572 E HA 0.135 4.485 4.350 -0.000 0.000 0.275 572 E C -0.462 175.899 176.600 -0.397 0.000 1.029 572 E CA -0.209 56.046 56.400 -0.243 0.000 0.871 572 E CB 0.657 30.245 29.700 -0.187 0.000 1.022 572 E HN 0.224 nan 8.360 nan 0.000 0.418 573 M N 2.255 121.514 119.600 -0.569 0.000 2.705 573 M HA 0.410 4.890 4.480 -0.000 0.000 0.311 573 M C -0.963 174.869 176.300 -0.780 0.000 1.214 573 M CA -0.754 54.203 55.300 -0.572 0.000 0.920 573 M CB 0.880 33.098 32.600 -0.636 0.000 1.687 573 M HN 0.398 nan 8.290 nan 0.000 0.481 574 Y N 0.554 120.802 120.300 -0.088 0.000 2.386 574 Y HA 0.489 5.039 4.550 -0.000 0.000 0.334 574 Y C -0.398 175.502 175.900 0.000 0.000 1.002 574 Y CA -0.637 57.452 58.100 -0.019 0.000 1.068 574 Y CB 1.422 39.893 38.460 0.017 0.000 1.203 574 Y HN 0.490 nan 8.280 nan 0.000 0.443 575 L N 3.764 125.066 121.223 0.133 0.000 2.455 575 L HA -0.009 4.331 4.340 -0.000 0.000 0.272 575 L C 0.345 177.318 176.870 0.171 0.000 1.174 575 L CA 0.135 55.044 54.840 0.114 0.000 0.869 575 L CB 0.481 42.580 42.059 0.067 0.000 1.130 575 L HN 0.712 nan 8.230 nan 0.000 0.474 576 L N 2.485 123.818 121.223 0.183 0.000 2.349 576 L HA 0.489 4.829 4.340 -0.000 0.000 0.200 576 L C 0.878 177.864 176.870 0.193 0.000 1.064 576 L CA 0.842 55.796 54.840 0.189 0.000 0.821 576 L CB -0.464 41.708 42.059 0.188 0.000 1.027 576 L HN 0.759 nan 8.230 nan 0.000 0.476 577 G N -2.670 106.265 108.800 0.226 0.000 2.313 577 G HA2 0.235 4.195 3.960 -0.000 0.000 0.296 577 G HA3 0.235 4.195 3.960 -0.000 0.000 0.296 577 G C -2.247 172.840 174.900 0.312 0.000 1.356 577 G CA -0.534 44.708 45.100 0.236 0.000 0.833 577 G HN -0.194 nan 8.290 nan 0.000 0.552 578 Y N 0.628 121.026 120.300 0.163 0.000 2.328 578 Y HA 0.726 5.276 4.550 -0.000 0.000 0.336 578 Y C -0.417 175.582 175.900 0.165 0.000 0.960 578 Y CA -1.157 57.034 58.100 0.151 0.000 1.134 578 Y CB 1.337 39.850 38.460 0.088 0.000 1.166 578 Y HN 0.433 nan 8.280 nan 0.000 0.464 579 L N 7.593 128.623 121.223 -0.322 0.000 2.272 579 L HA 0.399 4.739 4.340 -0.000 0.000 0.284 579 L C 1.212 177.805 176.870 -0.462 0.000 1.045 579 L CA -0.319 54.392 54.840 -0.215 0.000 0.842 579 L CB 1.199 43.273 42.059 0.025 0.000 1.224 579 L HN 0.976 nan 8.230 nan 0.000 0.430 580 A N 3.927 126.575 122.820 -0.286 0.000 1.927 580 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 580 A C 2.354 179.882 177.584 -0.093 0.000 1.185 580 A CA 1.832 53.795 52.037 -0.123 0.000 0.639 580 A CB -0.447 18.593 19.000 0.068 0.000 0.820 580 A HN 0.868 nan 8.150 nan 0.000 0.451 581 R N -0.457 120.006 120.500 -0.062 0.000 2.113 581 R HA -0.214 4.126 4.340 -0.000 0.000 0.244 581 R C 0.648 176.929 176.300 -0.032 0.000 1.142 581 R CA 2.142 58.223 56.100 -0.031 0.000 0.953 581 R CB -0.348 29.939 30.300 -0.022 0.000 0.860 581 R HN 0.513 nan 8.270 nan 0.000 0.438 582 D N -0.349 120.022 120.400 -0.047 0.000 2.349 582 D HA 0.021 4.661 4.640 -0.000 0.000 0.214 582 D C 0.010 176.268 176.300 -0.071 0.000 1.063 582 D CA 0.088 54.076 54.000 -0.019 0.000 0.847 582 D CB 0.039 40.890 40.800 0.084 0.000 0.933 582 D HN 0.243 nan 8.370 nan 0.000 0.513 583 N N 0.863 119.479 118.700 -0.139 0.000 2.725 583 N HA -0.183 4.557 4.740 -0.000 0.000 0.249 583 N C -0.341 175.127 175.510 -0.070 0.000 1.103 583 N CA 0.934 53.946 53.050 -0.063 0.000 0.707 583 N CB -0.643 37.861 38.487 0.027 0.000 1.043 583 N HN 0.383 nan 8.380 nan 0.000 0.553 584 K N -0.151 120.071 120.400 -0.297 0.000 2.435 584 K HA 0.584 4.904 4.320 -0.000 0.000 0.251 584 K C -0.756 175.648 176.600 -0.328 0.000 0.954 584 K CA -0.593 55.544 56.287 -0.251 0.000 0.820 584 K CB 3.123 35.378 32.500 -0.409 0.000 1.292 584 K HN -0.073 nan 8.250 nan 0.000 0.436 585 V N 2.841 122.705 119.914 -0.084 0.000 2.547 585 V HA 0.479 4.599 4.120 -0.000 0.000 0.299 585 V C -1.581 174.386 176.094 -0.213 0.000 1.040 585 V CA -0.402 61.946 62.300 0.081 0.000 0.913 585 V CB 0.839 32.797 31.823 0.225 0.000 0.992 585 V HN 0.571 nan 8.190 nan 0.000 0.449 586 Y N 5.687 126.060 120.300 0.122 0.000 2.429 586 Y HA 0.731 5.281 4.550 -0.000 0.000 0.342 586 Y C 0.078 176.030 175.900 0.088 0.000 1.004 586 Y CA -0.585 57.577 58.100 0.103 0.000 1.075 586 Y CB 1.794 40.296 38.460 0.071 0.000 1.214 586 Y HN 0.466 nan 8.280 nan 0.000 0.455 587 L N 2.059 123.413 121.223 0.218 0.000 2.283 587 L HA 1.022 5.362 4.340 -0.000 0.000 0.259 587 L C -0.776 176.194 176.870 0.167 0.000 1.027 587 L CA -1.296 53.609 54.840 0.108 0.000 0.828 587 L CB 2.220 44.220 42.059 -0.098 0.000 1.380 587 L HN 0.681 nan 8.230 nan 0.000 0.425 588 A N 0.208 123.112 122.820 0.139 0.000 2.520 588 A HA 0.663 4.983 4.320 -0.000 0.000 0.298 588 A C -1.619 176.090 177.584 0.208 0.000 1.051 588 A CA -0.624 51.522 52.037 0.182 0.000 0.690 588 A CB 1.531 20.599 19.000 0.113 0.000 1.281 588 A HN 0.768 nan 8.150 nan 0.000 0.402 589 D N 0.476 121.002 120.400 0.210 0.000 2.451 589 D HA 0.280 4.919 4.640 -0.000 0.000 0.259 589 D C 1.174 177.614 176.300 0.233 0.000 1.201 589 D CA -0.627 53.486 54.000 0.188 0.000 1.028 589 D CB 0.511 41.378 40.800 0.113 0.000 1.095 589 D HN 0.419 nan 8.370 nan 0.000 0.539 590 R N -0.333 120.304 120.500 0.227 0.000 2.113 590 R HA -0.214 4.126 4.340 -0.000 0.000 0.244 590 R C 1.120 177.471 176.300 0.085 0.000 1.142 590 R CA 1.781 57.972 56.100 0.151 0.000 0.953 590 R CB -0.219 30.161 30.300 0.133 0.000 0.860 590 R HN 0.632 nan 8.270 nan 0.000 0.438 591 E N -0.263 120.013 120.200 0.127 0.000 2.445 591 E HA 0.025 4.375 4.350 -0.000 0.000 0.189 591 E C 0.017 176.613 176.600 -0.006 0.000 1.069 591 E CA 0.149 56.616 56.400 0.110 0.000 0.871 591 E CB 0.486 30.313 29.700 0.212 0.000 0.991 591 E HN 0.059 nan 8.360 nan 0.000 0.481 592 V N 1.539 121.427 119.914 -0.044 0.000 6.086 592 V HA -0.239 3.881 4.120 -0.000 0.000 0.331 592 V C -0.630 175.274 176.094 -0.318 0.000 0.467 592 V CA 0.831 62.960 62.300 -0.284 0.000 0.678 592 V CB -2.512 28.866 31.823 -0.741 0.000 0.318 592 V HN 0.478 nan 8.190 nan 0.000 1.180 593 H N -0.857 118.135 119.070 -0.131 0.000 2.502 593 H HA 0.682 5.238 4.556 -0.000 0.000 0.327 593 H C 0.052 175.315 175.328 -0.108 0.000 1.099 593 H CA -0.231 55.731 56.048 -0.144 0.000 1.323 593 H CB 1.657 31.405 29.762 -0.023 0.000 1.450 593 H HN 0.252 nan 8.280 nan 0.000 0.502 594 V N 4.644 124.468 119.914 -0.150 0.000 2.435 594 V HA 0.279 4.399 4.120 -0.000 0.000 0.290 594 V C -0.786 175.242 176.094 -0.109 0.000 1.030 594 V CA -0.603 61.678 62.300 -0.032 0.000 0.881 594 V CB 0.455 32.248 31.823 -0.050 0.000 0.983 594 V HN 0.641 nan 8.190 nan 0.000 0.445 595 Y N 1.764 122.137 120.300 0.123 0.000 2.570 595 Y HA 0.833 5.383 4.550 -0.000 0.000 0.345 595 Y C 0.644 176.630 175.900 0.143 0.000 1.014 595 Y CA -0.676 57.504 58.100 0.134 0.000 1.063 595 Y CB 2.313 40.840 38.460 0.111 0.000 1.272 595 Y HN 0.734 nan 8.280 nan 0.000 0.477 596 G N -0.099 108.839 108.800 0.229 0.000 2.630 596 G HA2 0.543 4.503 3.960 -0.000 0.000 0.296 596 G HA3 0.543 4.503 3.960 -0.000 0.000 0.296 596 G C -2.550 172.398 174.900 0.080 0.000 1.285 596 G CA -0.790 44.256 45.100 -0.090 0.000 0.958 596 G HN 0.491 nan 8.290 nan 0.000 0.479 597 Y N 0.074 120.288 120.300 -0.143 0.000 2.287 597 Y HA 0.386 4.936 4.550 -0.000 0.000 0.321 597 Y C -0.353 175.515 175.900 -0.054 0.000 1.173 597 Y CA -0.932 57.150 58.100 -0.029 0.000 1.124 597 Y CB 1.552 40.044 38.460 0.053 0.000 1.201 597 Y HN 0.701 nan 8.280 nan 0.000 0.421 598 E N 6.128 126.228 120.200 -0.166 0.000 2.376 598 E HA 0.429 4.779 4.350 -0.000 0.000 0.266 598 E C -1.159 175.517 176.600 0.127 0.000 1.009 598 E CA 0.260 56.634 56.400 -0.042 0.000 0.902 598 E CB 0.467 30.094 29.700 -0.122 0.000 0.972 598 E HN 0.624 nan 8.360 nan 0.000 0.439 599 I N 3.997 124.687 120.570 0.200 0.000 2.500 599 I HA 0.081 4.251 4.170 -0.000 0.000 0.286 599 I C -0.277 175.922 176.117 0.136 0.000 1.063 599 I CA -0.830 60.573 61.300 0.172 0.000 1.062 599 I CB 1.925 40.008 38.000 0.137 0.000 1.223 599 I HN 0.428 nan 8.210 nan 0.000 0.435 600 S N 4.913 120.643 115.700 0.050 0.000 2.596 600 S HA -0.011 4.459 4.470 -0.000 0.000 0.298 600 S C 1.033 175.657 174.600 0.039 0.000 1.255 600 S CA -0.274 57.949 58.200 0.038 0.000 1.083 600 S CB 0.351 63.548 63.200 -0.005 0.000 0.837 600 S HN 0.567 nan 8.310 nan 0.000 0.499 601 L N 5.658 126.945 121.223 0.106 0.000 2.083 601 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 601 L C 2.224 179.114 176.870 0.034 0.000 1.083 601 L CA 1.868 56.775 54.840 0.112 0.000 0.752 601 L CB -0.601 41.549 42.059 0.152 0.000 0.899 601 L HN 0.689 nan 8.230 nan 0.000 0.433 602 E N -0.458 119.761 120.200 0.031 0.000 2.072 602 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 602 E C 2.363 178.980 176.600 0.029 0.000 0.985 602 E CA 1.456 57.877 56.400 0.035 0.000 0.801 602 E CB -0.636 29.088 29.700 0.041 0.000 0.750 602 E HN 0.443 nan 8.360 nan 0.000 0.452 603 V N 1.465 121.362 119.914 -0.028 0.000 2.295 603 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 603 V C 2.448 178.449 176.094 -0.155 0.000 1.049 603 V CA 1.270 63.512 62.300 -0.096 0.000 1.024 603 V CB -0.473 31.258 31.823 -0.155 0.000 0.648 603 V HN 0.151 nan 8.190 nan 0.000 0.447 604 L N -0.020 121.091 121.223 -0.188 0.000 2.042 604 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 604 L C 2.496 179.278 176.870 -0.147 0.000 1.076 604 L CA 2.075 56.768 54.840 -0.245 0.000 0.749 604 L CB -1.020 40.876 42.059 -0.272 0.000 0.893 604 L HN 0.412 nan 8.230 nan 0.000 0.432 605 E N -1.047 119.113 120.200 -0.066 0.000 2.106 605 E HA -0.253 4.097 4.350 -0.000 0.000 0.192 605 E C 2.198 178.774 176.600 -0.040 0.000 0.984 605 E CA 1.090 57.467 56.400 -0.038 0.000 0.806 605 E CB -0.430 29.263 29.700 -0.013 0.000 0.750 605 E HN 0.385 nan 8.360 nan 0.000 0.458 606 F N 1.142 121.013 119.950 -0.131 0.000 2.069 606 F HA -0.269 4.258 4.527 -0.000 0.000 0.298 606 F C 2.229 177.942 175.800 -0.146 0.000 1.113 606 F CA 2.073 60.006 58.000 -0.113 0.000 1.214 606 F CB -0.109 38.824 39.000 -0.111 0.000 0.978 606 F HN 0.082 nan 8.300 nan 0.000 0.474 607 Q N -0.731 119.041 119.800 -0.046 0.000 2.096 607 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 607 Q C 2.072 178.037 176.000 -0.059 0.000 0.982 607 Q CA 2.175 57.740 55.803 -0.397 0.000 0.850 607 Q CB -0.621 27.570 28.738 -0.911 0.000 0.901 607 Q HN 0.385 nan 8.270 nan 0.000 0.422 608 T N 1.615 116.132 114.554 -0.063 0.000 2.674 608 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 608 T C 1.898 176.605 174.700 0.012 0.000 1.039 608 T CA 1.023 63.127 62.100 0.007 0.000 1.150 608 T CB -0.266 68.602 68.868 0.000 0.000 0.864 608 T HN 0.169 nan 8.240 nan 0.000 0.427 609 L N 0.575 121.765 121.223 -0.055 0.000 2.017 609 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 609 L C 2.967 179.797 176.870 -0.066 0.000 1.073 609 L CA 1.304 56.089 54.840 -0.091 0.000 0.745 609 L CB -1.158 40.783 42.059 -0.197 0.000 0.894 609 L HN 0.293 nan 8.230 nan 0.000 0.432 610 T N 0.365 114.888 114.554 -0.052 0.000 2.720 610 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 610 T C 1.941 176.717 174.700 0.127 0.000 1.037 610 T CA 1.269 63.380 62.100 0.019 0.000 1.144 610 T CB -0.245 68.785 68.868 0.271 0.000 0.864 610 T HN 0.204 nan 8.240 nan 0.000 0.444 611 L N 0.212 121.557 121.223 0.204 0.000 2.275 611 L HA 0.008 4.348 4.340 -0.000 0.000 0.215 611 L C 2.495 179.453 176.870 0.147 0.000 1.119 611 L CA 1.095 56.062 54.840 0.211 0.000 0.790 611 L CB -0.316 41.878 42.059 0.225 0.000 0.919 611 L HN 0.141 nan 8.230 nan 0.000 0.443 612 R N -0.194 120.362 120.500 0.093 0.000 2.310 612 R HA 0.120 4.460 4.340 -0.000 0.000 0.202 612 R C 1.136 177.468 176.300 0.053 0.000 0.933 612 R CA 0.572 56.711 56.100 0.064 0.000 1.054 612 R CB 0.254 30.574 30.300 0.033 0.000 0.985 612 R HN 0.396 nan 8.270 nan 0.000 0.489 613 G N 1.612 110.452 108.800 0.066 0.000 2.132 613 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.234 613 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.234 613 G C -0.026 174.886 174.900 0.021 0.000 0.989 613 G CA -0.110 45.031 45.100 0.069 0.000 0.676 613 G HN 0.448 nan 8.290 nan 0.000 0.522 614 E N -0.296 119.888 120.200 -0.027 0.000 3.105 614 E HA 0.342 4.692 4.350 -0.000 0.000 0.219 614 E C 1.612 178.119 176.600 -0.155 0.000 1.064 614 E CA -0.620 55.737 56.400 -0.072 0.000 1.342 614 E CB 0.192 29.849 29.700 -0.071 0.000 1.295 614 E HN 0.404 nan 8.360 nan 0.000 0.438 615 I N 1.011 121.475 120.570 -0.177 0.000 2.118 615 I HA -0.342 3.828 4.170 -0.000 0.000 0.241 615 I C 2.275 178.254 176.117 -0.230 0.000 1.070 615 I CA 1.434 62.562 61.300 -0.287 0.000 1.327 615 I CB -0.442 37.347 38.000 -0.350 0.000 1.034 615 I HN 0.147 nan 8.210 nan 0.000 0.405 616 E N 0.550 120.678 120.200 -0.119 0.000 2.086 616 E HA -0.274 4.076 4.350 -0.000 0.000 0.200 616 E C 2.163 178.705 176.600 -0.097 0.000 1.012 616 E CA 1.356 57.712 56.400 -0.073 0.000 0.812 616 E CB -0.512 29.169 29.700 -0.031 0.000 0.743 616 E HN 0.533 nan 8.360 nan 0.000 0.453 617 E N 0.503 120.636 120.200 -0.112 0.000 2.077 617 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 617 E C 1.944 178.443 176.600 -0.168 0.000 0.989 617 E CA 1.151 57.485 56.400 -0.110 0.000 0.800 617 E CB -0.074 29.568 29.700 -0.097 0.000 0.746 617 E HN 0.189 nan 8.360 nan 0.000 0.452 618 A N 0.903 123.545 122.820 -0.297 0.000 1.898 618 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 618 A C 2.355 179.694 177.584 -0.409 0.000 1.181 618 A CA 1.074 52.804 52.037 -0.510 0.000 0.620 618 A CB -0.579 17.808 19.000 -1.022 0.000 0.819 618 A HN 0.263 nan 8.150 nan 0.000 0.442 619 I N -0.666 119.744 120.570 -0.265 0.000 2.361 619 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 619 I C 2.530 178.653 176.117 0.011 0.000 1.133 619 I CA 1.668 62.967 61.300 -0.001 0.000 1.413 619 I CB -0.200 37.824 38.000 0.041 0.000 1.073 619 I HN 0.569 nan 8.210 nan 0.000 0.424 620 E N 1.097 121.275 120.200 -0.037 0.000 2.021 620 E HA -0.157 4.193 4.350 -0.000 0.000 0.189 620 E C 1.818 178.410 176.600 -0.013 0.000 0.980 620 E CA 0.949 57.339 56.400 -0.017 0.000 0.803 620 E CB 0.165 29.850 29.700 -0.025 0.000 0.766 620 E HN 0.399 nan 8.360 nan 0.000 0.449 621 N N -0.129 118.550 118.700 -0.036 0.000 2.368 621 N HA -0.048 4.692 4.740 -0.000 0.000 0.176 621 N C 1.814 177.317 175.510 -0.011 0.000 1.021 621 N CA 0.766 53.802 53.050 -0.024 0.000 0.888 621 N CB 0.602 39.069 38.487 -0.033 0.000 0.995 621 N HN 0.077 nan 8.380 nan 0.000 0.437 622 V N 1.173 121.072 119.914 -0.026 0.000 2.492 622 V HA -0.029 4.091 4.120 -0.000 0.000 0.241 622 V C 2.305 178.471 176.094 0.119 0.000 1.041 622 V CA 0.413 62.728 62.300 0.025 0.000 1.057 622 V CB -0.474 31.340 31.823 -0.016 0.000 0.711 622 V HN 0.084 nan 8.190 nan 0.000 0.468 623 L N 1.504 122.841 121.223 0.191 0.000 2.021 623 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 623 L C -0.179 176.762 176.870 0.118 0.000 1.074 623 L CA 2.612 57.602 54.840 0.251 0.000 0.760 623 L CB -1.864 40.380 42.059 0.309 0.000 0.889 623 L HN 0.256 nan 8.230 nan 0.000 0.433 624 P HA -0.135 nan 4.420 nan 0.000 0.218 624 P C 0.505 177.829 177.300 0.040 0.000 1.146 624 P CA 1.822 64.951 63.100 0.049 0.000 0.813 624 P CB -0.205 31.516 31.700 0.035 0.000 0.778 625 N N -1.971 116.757 118.700 0.047 0.000 2.236 625 N HA 0.060 4.800 4.740 -0.000 0.000 0.196 625 N C -0.371 175.161 175.510 0.036 0.000 1.114 625 N CA -0.144 52.928 53.050 0.036 0.000 0.859 625 N CB 0.357 38.863 38.487 0.032 0.000 0.982 625 N HN -0.113 nan 8.380 nan 0.000 0.493 626 V N 2.705 122.646 119.914 0.045 0.000 2.008 626 V HA 0.054 4.174 4.120 -0.000 0.000 0.262 626 V C -0.009 176.090 176.094 0.007 0.000 1.580 626 V CA 0.001 62.318 62.300 0.028 0.000 1.515 626 V CB -0.890 30.951 31.823 0.031 0.000 1.474 626 V HN 0.181 nan 8.190 nan 0.000 0.504 627 E N 2.234 122.439 120.200 0.008 0.000 2.392 627 E HA 0.531 4.880 4.350 -0.000 0.000 0.264 627 E C 0.686 177.282 176.600 -0.006 0.000 1.024 627 E CA 0.294 56.695 56.400 0.001 0.000 0.903 627 E CB 1.282 30.984 29.700 0.004 0.000 0.963 627 E HN 0.706 nan 8.360 nan 0.000 0.432 628 G N 2.371 111.165 108.800 -0.010 0.000 3.162 628 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.599 628 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.599 628 G C 0.449 175.339 174.900 -0.018 0.000 1.335 628 G CA -0.236 44.856 45.100 -0.014 0.000 1.091 628 G HN 0.336 nan 8.290 nan 0.000 0.570 629 K N 1.432 121.823 120.400 -0.014 0.000 2.001 629 K HA -0.173 4.147 4.320 -0.000 0.000 0.214 629 K C 2.201 178.791 176.600 -0.016 0.000 1.050 629 K CA 2.450 58.729 56.287 -0.014 0.000 0.934 629 K CB -0.235 32.259 32.500 -0.010 0.000 0.718 629 K HN 0.745 nan 8.250 nan 0.000 0.443 630 D N -0.495 119.897 120.400 -0.014 0.000 2.219 630 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 630 D C 1.623 177.911 176.300 -0.019 0.000 0.970 630 D CA 0.866 54.860 54.000 -0.010 0.000 0.851 630 D CB -0.149 40.649 40.800 -0.004 0.000 0.943 630 D HN 0.081 nan 8.370 nan 0.000 0.488 631 S N 0.532 116.215 115.700 -0.028 0.000 2.368 631 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 631 S C 2.210 176.766 174.600 -0.073 0.000 1.030 631 S CA 0.537 58.709 58.200 -0.046 0.000 0.999 631 S CB -0.222 62.954 63.200 -0.041 0.000 0.844 631 S HN 0.299 nan 8.310 nan 0.000 0.459 632 L N 0.826 122.012 121.223 -0.061 0.000 2.093 632 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 632 L C 2.657 179.487 176.870 -0.065 0.000 1.085 632 L CA 1.119 55.913 54.840 -0.077 0.000 0.755 632 L CB -1.141 40.889 42.059 -0.049 0.000 0.904 632 L HN 0.295 nan 8.230 nan 0.000 0.435 633 T N -0.296 114.237 114.554 -0.035 0.000 2.708 633 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 633 T C 1.921 176.614 174.700 -0.012 0.000 1.037 633 T CA 1.240 63.331 62.100 -0.014 0.000 1.146 633 T CB -0.075 68.793 68.868 0.001 0.000 0.865 633 T HN 0.261 nan 8.240 nan 0.000 0.435 634 K N 0.649 121.038 120.400 -0.019 0.000 1.991 634 K HA -0.043 4.277 4.320 -0.000 0.000 0.212 634 K C 2.286 178.865 176.600 -0.035 0.000 1.049 634 K CA 1.381 57.659 56.287 -0.016 0.000 0.932 634 K CB -0.481 32.001 32.500 -0.029 0.000 0.717 634 K HN 0.309 nan 8.250 nan 0.000 0.441 635 I N 1.115 121.617 120.570 -0.114 0.000 2.194 635 I HA -0.331 3.839 4.170 -0.000 0.000 0.246 635 I C 2.550 178.620 176.117 -0.078 0.000 1.093 635 I CA 1.268 62.455 61.300 -0.188 0.000 1.355 635 I CB -0.470 37.242 38.000 -0.480 0.000 1.046 635 I HN 0.220 nan 8.210 nan 0.000 0.413 636 A N 0.874 123.649 122.820 -0.075 0.000 1.902 636 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 636 A C 2.354 179.947 177.584 0.015 0.000 1.181 636 A CA 1.569 53.587 52.037 -0.033 0.000 0.623 636 A CB -0.531 18.458 19.000 -0.018 0.000 0.818 636 A HN 0.357 nan 8.150 nan 0.000 0.443 637 R N -1.903 118.626 120.500 0.048 0.000 2.148 637 R HA 0.004 4.344 4.340 -0.000 0.000 0.223 637 R C 1.911 178.283 176.300 0.120 0.000 1.088 637 R CA 1.219 57.376 56.100 0.094 0.000 0.985 637 R CB -0.396 29.978 30.300 0.122 0.000 0.880 637 R HN 0.640 nan 8.270 nan 0.000 0.451 638 F N 1.197 121.108 119.950 -0.065 0.000 2.084 638 F HA -0.125 4.402 4.527 -0.000 0.000 0.296 638 F C 1.693 177.492 175.800 -0.001 0.000 1.111 638 F CA 1.138 59.081 58.000 -0.095 0.000 1.224 638 F CB -0.365 38.534 39.000 -0.168 0.000 0.991 638 F HN -0.159 nan 8.300 nan 0.000 0.471 639 L N 1.251 122.272 121.223 -0.337 0.000 2.012 639 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 639 L C 2.611 179.334 176.870 -0.245 0.000 1.073 639 L CA 2.317 56.937 54.840 -0.366 0.000 0.748 639 L CB -1.429 40.558 42.059 -0.121 0.000 0.891 639 L HN 0.471 nan 8.230 nan 0.000 0.431 640 E N -1.098 119.023 120.200 -0.131 0.000 2.110 640 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 640 E C 2.120 178.631 176.600 -0.147 0.000 0.988 640 E CA 1.101 57.433 56.400 -0.113 0.000 0.804 640 E CB -0.378 29.366 29.700 0.074 0.000 0.745 640 E HN 0.479 nan 8.360 nan 0.000 0.458 641 G N 0.117 108.882 108.800 -0.058 0.000 2.471 641 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 641 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 641 G C 1.516 176.357 174.900 -0.099 0.000 1.125 641 G CA 0.511 45.612 45.100 0.002 0.000 0.775 641 G HN 0.210 nan 8.290 nan 0.000 0.548 642 Q N -0.300 119.361 119.800 -0.232 0.000 2.360 642 Q HA 0.194 4.534 4.340 -0.000 0.000 0.202 642 Q C 0.737 176.580 176.000 -0.262 0.000 0.915 642 Q CA 0.161 55.841 55.803 -0.205 0.000 0.943 642 Q CB 0.025 28.584 28.738 -0.299 0.000 1.064 642 Q HN 0.596 nan 8.270 nan 0.000 0.511 643 E N -2.054 117.862 120.200 -0.475 0.000 3.687 643 E HA -0.248 4.102 4.350 -0.000 0.000 0.319 643 E C -1.007 175.044 176.600 -0.915 0.000 0.821 643 E CA 0.253 56.111 56.400 -0.903 0.000 1.195 643 E CB -1.783 27.626 29.700 -0.486 0.000 1.605 643 E HN 0.375 nan 8.360 nan 0.000 0.419 644 Y N 0.238 120.199 120.300 -0.565 0.000 2.832 644 Y HA 0.209 4.759 4.550 -0.000 0.000 0.372 644 Y C 1.087 176.846 175.900 -0.234 0.000 1.238 644 Y CA -0.303 57.620 58.100 -0.294 0.000 1.713 644 Y CB -0.458 37.900 38.460 -0.170 0.000 1.809 644 Y HN 0.151 nan 8.280 nan 0.000 0.472 645 Y N -0.525 119.805 120.300 0.049 0.000 2.165 645 Y HA -0.288 4.262 4.550 -0.000 0.000 0.286 645 Y C 2.314 178.233 175.900 0.033 0.000 1.155 645 Y CA 1.561 59.675 58.100 0.023 0.000 1.164 645 Y CB -0.089 38.362 38.460 -0.014 0.000 0.978 645 Y HN 0.380 nan 8.280 nan 0.000 0.513 646 E N 0.532 120.851 120.200 0.198 0.000 2.038 646 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 646 E C 1.823 178.488 176.600 0.108 0.000 1.000 646 E CA 1.762 58.238 56.400 0.127 0.000 0.803 646 E CB 0.046 29.811 29.700 0.108 0.000 0.750 646 E HN 0.443 nan 8.360 nan 0.000 0.448 647 E N 0.177 120.454 120.200 0.127 0.000 2.106 647 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 647 E C 1.786 178.429 176.600 0.071 0.000 0.984 647 E CA 1.084 57.546 56.400 0.103 0.000 0.806 647 E CB -0.303 29.467 29.700 0.117 0.000 0.750 647 E HN 0.366 nan 8.360 nan 0.000 0.458 648 A N 0.856 123.719 122.820 0.072 0.000 1.883 648 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 648 A C 2.156 179.768 177.584 0.047 0.000 1.186 648 A CA 1.396 53.458 52.037 0.043 0.000 0.624 648 A CB -0.745 18.287 19.000 0.054 0.000 0.822 648 A HN 0.274 nan 8.150 nan 0.000 0.444 649 L N 0.534 121.797 121.223 0.067 0.000 2.012 649 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 649 L C 1.838 178.730 176.870 0.035 0.000 1.073 649 L CA 2.591 57.461 54.840 0.050 0.000 0.748 649 L CB -0.931 41.157 42.059 0.049 0.000 0.891 649 L HN 0.422 nan 8.230 nan 0.000 0.431 650 N N -0.691 118.033 118.700 0.039 0.000 2.223 650 N HA -0.141 4.599 4.740 -0.000 0.000 0.185 650 N C 1.641 177.164 175.510 0.022 0.000 1.016 650 N CA 1.701 54.771 53.050 0.032 0.000 0.863 650 N CB -0.170 38.342 38.487 0.041 0.000 0.983 650 N HN 0.333 nan 8.380 nan 0.000 0.429 651 I N -0.521 120.057 120.570 0.013 0.000 2.400 651 I HA 0.021 4.191 4.170 -0.000 0.000 0.248 651 I C 0.945 177.054 176.117 -0.014 0.000 1.109 651 I CA 0.341 61.634 61.300 -0.010 0.000 1.425 651 I CB -1.466 36.503 38.000 -0.052 0.000 1.094 651 I HN -0.040 nan 8.210 nan 0.000 0.425 652 S N 4.111 119.808 115.700 -0.005 0.000 2.593 652 S HA 0.017 4.487 4.470 -0.000 0.000 0.300 652 S C -1.255 173.348 174.600 0.004 0.000 1.267 652 S CA -0.568 57.632 58.200 0.000 0.000 1.065 652 S CB 0.410 63.620 63.200 0.017 0.000 0.807 652 S HN 0.164 nan 8.310 nan 0.000 0.499 653 P HA 0.201 nan 4.420 nan 0.000 0.275 653 P C -0.478 176.825 177.300 0.005 0.000 1.310 653 P CA -0.088 63.013 63.100 0.002 0.000 0.904 653 P CB 0.178 31.875 31.700 -0.004 0.000 1.381 654 D N 0.979 121.386 120.400 0.011 0.000 2.380 654 D HA 0.069 4.709 4.640 -0.000 0.000 0.230 654 D C 0.992 177.305 176.300 0.022 0.000 1.154 654 D CA -0.125 53.884 54.000 0.015 0.000 0.859 654 D CB 1.203 42.016 40.800 0.021 0.000 1.045 654 D HN -0.254 nan 8.370 nan 0.000 0.495 655 Q N 2.198 122.006 119.800 0.014 0.000 2.152 655 Q HA -0.154 4.186 4.340 -0.000 0.000 0.206 655 Q C 1.099 177.121 176.000 0.038 0.000 0.985 655 Q CA 1.443 57.256 55.803 0.017 0.000 0.863 655 Q CB 0.152 28.885 28.738 -0.008 0.000 0.904 655 Q HN 0.574 nan 8.270 nan 0.000 0.422 656 D N -0.606 119.811 120.400 0.027 0.000 2.084 656 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 656 D C 1.725 178.086 176.300 0.102 0.000 0.985 656 D CA 1.183 55.214 54.000 0.051 0.000 0.826 656 D CB -0.207 40.606 40.800 0.020 0.000 0.978 656 D HN 0.403 nan 8.370 nan 0.000 0.456 657 Q N 0.920 120.761 119.800 0.068 0.000 2.135 657 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 657 Q C 1.907 177.945 176.000 0.065 0.000 0.981 657 Q CA 1.257 57.099 55.803 0.066 0.000 0.856 657 Q CB 0.172 28.942 28.738 0.053 0.000 0.902 657 Q HN 0.125 nan 8.270 nan 0.000 0.425 658 K N -0.251 120.189 120.400 0.067 0.000 2.097 658 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 658 K C 1.918 178.552 176.600 0.057 0.000 1.049 658 K CA 1.227 57.546 56.287 0.054 0.000 0.933 658 K CB -0.305 32.226 32.500 0.052 0.000 0.717 658 K HN 0.249 nan 8.250 nan 0.000 0.442 659 F N 2.640 122.560 119.950 -0.051 0.000 2.113 659 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 659 F C 2.017 177.773 175.800 -0.072 0.000 1.103 659 F CA 1.527 59.480 58.000 -0.077 0.000 1.248 659 F CB -0.098 38.841 39.000 -0.103 0.000 0.999 659 F HN 0.021 nan 8.300 nan 0.000 0.475 660 E N 0.375 120.530 120.200 -0.075 0.000 2.077 660 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 660 E C 2.365 178.849 176.600 -0.193 0.000 0.989 660 E CA 1.506 57.806 56.400 -0.166 0.000 0.800 660 E CB -0.351 29.344 29.700 -0.009 0.000 0.746 660 E HN 0.442 nan 8.360 nan 0.000 0.452 661 L N 0.648 121.811 121.223 -0.100 0.000 2.017 661 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 661 L C 2.627 179.416 176.870 -0.135 0.000 1.073 661 L CA 1.071 55.866 54.840 -0.075 0.000 0.745 661 L CB -0.529 41.542 42.059 0.020 0.000 0.894 661 L HN 0.160 nan 8.230 nan 0.000 0.432 662 A N 0.295 123.023 122.820 -0.155 0.000 1.873 662 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 662 A C 2.222 179.665 177.584 -0.236 0.000 1.193 662 A CA 1.877 53.812 52.037 -0.170 0.000 0.629 662 A CB -0.949 17.948 19.000 -0.171 0.000 0.826 662 A HN 0.390 nan 8.150 nan 0.000 0.447 663 L N -0.944 120.055 121.223 -0.373 0.000 2.042 663 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 663 L C 2.613 179.330 176.870 -0.254 0.000 1.076 663 L CA 1.899 56.527 54.840 -0.353 0.000 0.749 663 L CB -0.490 41.277 42.059 -0.486 0.000 0.893 663 L HN 0.431 nan 8.230 nan 0.000 0.432 664 K N 0.147 120.390 120.400 -0.262 0.000 2.148 664 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 664 K C 1.679 178.132 176.600 -0.245 0.000 1.050 664 K CA 1.337 57.458 56.287 -0.278 0.000 0.942 664 K CB -0.253 32.018 32.500 -0.381 0.000 0.724 664 K HN 0.070 nan 8.250 nan 0.000 0.446 665 V N -1.064 118.740 119.914 -0.183 0.000 3.174 665 V HA 0.214 4.334 4.120 -0.000 0.000 0.254 665 V C 1.166 177.209 176.094 -0.085 0.000 1.120 665 V CA 1.128 63.362 62.300 -0.110 0.000 1.114 665 V CB 0.352 32.146 31.823 -0.048 0.000 0.756 665 V HN 0.654 nan 8.190 nan 0.000 0.467 666 G N -0.107 108.630 108.800 -0.104 0.000 2.179 666 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 666 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 666 G C 0.224 175.082 174.900 -0.070 0.000 0.990 666 G CA 0.077 45.128 45.100 -0.082 0.000 0.646 666 G HN 0.508 nan 8.290 nan 0.000 0.517 667 Q N 0.844 120.600 119.800 -0.073 0.000 3.026 667 Q HA 0.510 4.850 4.340 -0.000 0.000 0.258 667 Q C 1.863 177.820 176.000 -0.071 0.000 1.388 667 Q CA -0.387 55.383 55.803 -0.055 0.000 1.000 667 Q CB 0.105 28.819 28.738 -0.040 0.000 1.634 667 Q HN 0.590 nan 8.270 nan 0.000 0.571 668 L N -0.305 120.877 121.223 -0.068 0.000 1.994 668 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 668 L C 2.159 179.011 176.870 -0.030 0.000 1.071 668 L CA 1.366 56.165 54.840 -0.069 0.000 0.745 668 L CB -0.752 41.273 42.059 -0.058 0.000 0.892 668 L HN 0.447 nan 8.230 nan 0.000 0.431 669 T N 0.627 115.174 114.554 -0.012 0.000 2.685 669 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 669 T C 1.809 176.517 174.700 0.013 0.000 1.034 669 T CA 1.885 63.991 62.100 0.010 0.000 1.149 669 T CB -0.360 68.514 68.868 0.010 0.000 0.860 669 T HN 0.144 nan 8.240 nan 0.000 0.449 670 L N 1.529 122.752 121.223 -0.001 0.000 1.994 670 L HA 0.093 4.433 4.340 -0.000 0.000 0.208 670 L C 2.629 179.509 176.870 0.017 0.000 1.071 670 L CA 2.076 56.919 54.840 0.005 0.000 0.745 670 L CB -1.426 40.629 42.059 -0.006 0.000 0.892 670 L HN 0.225 nan 8.230 nan 0.000 0.431 671 A N -0.124 122.687 122.820 -0.014 0.000 1.873 671 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 671 A C 2.490 180.151 177.584 0.128 0.000 1.193 671 A CA 1.962 54.009 52.037 0.017 0.000 0.629 671 A CB -0.812 18.052 19.000 -0.226 0.000 0.826 671 A HN 0.490 nan 8.150 nan 0.000 0.447 672 R N 0.285 120.818 120.500 0.055 0.000 2.113 672 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 672 R C 1.321 177.635 176.300 0.022 0.000 1.142 672 R CA 2.320 58.449 56.100 0.049 0.000 0.953 672 R CB -0.930 29.426 30.300 0.092 0.000 0.860 672 R HN 0.604 nan 8.270 nan 0.000 0.438 673 D N 0.291 120.714 120.400 0.037 0.000 2.269 673 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 673 D C 1.896 178.195 176.300 -0.001 0.000 0.963 673 D CA 0.590 54.607 54.000 0.028 0.000 0.864 673 D CB -0.028 40.791 40.800 0.031 0.000 0.936 673 D HN 0.306 nan 8.370 nan 0.000 0.505 674 L N 0.330 121.555 121.223 0.003 0.000 2.478 674 L HA -0.010 4.330 4.340 -0.000 0.000 0.223 674 L C 2.252 179.025 176.870 -0.161 0.000 1.140 674 L CA 0.150 54.974 54.840 -0.027 0.000 0.842 674 L CB -0.041 42.060 42.059 0.069 0.000 0.953 674 L HN 0.013 nan 8.230 nan 0.000 0.452 675 L N -1.430 119.646 121.223 -0.245 0.000 2.056 675 L HA -0.024 4.316 4.340 -0.000 0.000 0.202 675 L C 1.644 178.393 176.870 -0.201 0.000 1.086 675 L CA 0.766 55.336 54.840 -0.450 0.000 0.758 675 L CB -0.673 40.810 42.059 -0.960 0.000 0.912 675 L HN 0.253 nan 8.230 nan 0.000 0.446 676 T N -0.747 113.797 114.554 -0.017 0.000 14.064 676 T HA -0.401 3.949 4.350 -0.000 0.000 0.419 676 T C 0.370 175.186 174.700 0.194 0.000 1.441 676 T CA 1.772 63.941 62.100 0.115 0.000 2.335 676 T CB -0.970 67.921 68.868 0.038 0.000 2.764 676 T HN 0.514 nan 8.240 nan 0.000 0.314 677 D N 1.964 122.429 120.400 0.108 0.000 3.072 677 D HA 0.216 4.856 4.640 -0.000 0.000 0.250 677 D C 1.218 177.545 176.300 0.045 0.000 1.304 677 D CA -0.044 54.036 54.000 0.133 0.000 0.861 677 D CB -0.165 40.689 40.800 0.090 0.000 1.062 677 D HN 0.369 nan 8.370 nan 0.000 0.481 678 E N 0.428 120.584 120.200 -0.072 0.000 2.501 678 E HA -0.167 4.183 4.350 -0.000 0.000 0.203 678 E C 1.061 177.594 176.600 -0.112 0.000 1.072 678 E CA 0.702 56.985 56.400 -0.194 0.000 0.885 678 E CB -0.134 29.298 29.700 -0.447 0.000 0.813 678 E HN 0.565 nan 8.360 nan 0.000 0.556 679 S N 0.258 115.977 115.700 0.032 0.000 4.150 679 S HA -0.385 4.085 4.470 -0.000 0.000 0.575 679 S C 0.976 175.624 174.600 0.081 0.000 1.878 679 S CA 0.858 59.112 58.200 0.090 0.000 4.245 679 S CB -1.601 61.625 63.200 0.045 0.000 0.231 679 S HN 0.997 nan 8.310 nan 0.000 0.469 680 A N 2.503 125.340 122.820 0.027 0.000 1.562 680 A HA -0.167 4.153 4.320 -0.000 0.000 0.264 680 A C 1.098 178.731 177.584 0.082 0.000 1.128 680 A CA 1.630 53.679 52.037 0.021 0.000 1.020 680 A CB -1.251 17.717 19.000 -0.054 0.000 1.050 680 A HN 0.717 nan 8.150 nan 0.000 0.248 681 E N 1.672 121.967 120.200 0.158 0.000 2.171 681 E HA -0.270 4.080 4.350 -0.000 0.000 0.197 681 E C 1.826 178.544 176.600 0.196 0.000 0.997 681 E CA 1.362 57.901 56.400 0.233 0.000 0.810 681 E CB -0.141 29.677 29.700 0.197 0.000 0.738 681 E HN 0.913 nan 8.360 nan 0.000 0.467 682 M N 1.022 120.693 119.600 0.118 0.000 2.149 682 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 682 M C 1.721 178.074 176.300 0.089 0.000 1.064 682 M CA 1.551 56.911 55.300 0.101 0.000 1.102 682 M CB -0.106 32.532 32.600 0.064 0.000 1.369 682 M HN -0.007 nan 8.290 nan 0.000 0.408 683 K N -1.119 119.280 120.400 -0.002 0.000 2.025 683 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 683 K C 1.789 178.365 176.600 -0.040 0.000 1.049 683 K CA 1.710 57.923 56.287 -0.122 0.000 0.933 683 K CB -0.524 31.663 32.500 -0.521 0.000 0.714 683 K HN 0.488 nan 8.250 nan 0.000 0.438 684 W N 1.565 122.864 121.300 -0.002 0.000 2.358 684 W HA -0.088 4.572 4.660 -0.000 0.000 0.303 684 W C 2.584 179.091 176.519 -0.021 0.000 1.208 684 W CA 0.752 58.091 57.345 -0.010 0.000 1.274 684 W CB -0.138 29.296 29.460 -0.044 0.000 1.138 684 W HN 0.109 nan 8.180 nan 0.000 0.515 685 R N 0.360 121.028 120.500 0.280 0.000 2.081 685 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 685 R C 2.238 178.622 176.300 0.140 0.000 1.131 685 R CA 1.641 57.890 56.100 0.250 0.000 0.960 685 R CB -0.565 29.895 30.300 0.266 0.000 0.856 685 R HN 0.157 nan 8.270 nan 0.000 0.436 686 A N 0.807 123.707 122.820 0.133 0.000 1.933 686 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 686 A C 1.972 179.560 177.584 0.007 0.000 1.175 686 A CA 1.142 53.232 52.037 0.089 0.000 0.628 686 A CB -0.469 18.623 19.000 0.152 0.000 0.814 686 A HN 0.365 nan 8.150 nan 0.000 0.444 687 L N 0.030 121.277 121.223 0.041 0.000 2.109 687 L HA 0.081 4.421 4.340 -0.000 0.000 0.207 687 L C 2.295 179.062 176.870 -0.172 0.000 1.086 687 L CA 2.188 57.006 54.840 -0.038 0.000 0.760 687 L CB -1.148 40.959 42.059 0.079 0.000 0.910 687 L HN 0.261 nan 8.230 nan 0.000 0.437 688 G N -0.817 107.771 108.800 -0.352 0.000 2.446 688 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 688 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 688 G C 1.348 175.891 174.900 -0.596 0.000 1.168 688 G CA 0.884 45.417 45.100 -0.945 0.000 0.771 688 G HN 0.445 nan 8.290 nan 0.000 0.551 689 D N 0.924 121.193 120.400 -0.218 0.000 2.117 689 D HA -0.057 4.583 4.640 -0.000 0.000 0.198 689 D C 2.903 179.166 176.300 -0.061 0.000 0.982 689 D CA 1.186 55.202 54.000 0.026 0.000 0.828 689 D CB -0.237 40.623 40.800 0.099 0.000 0.967 689 D HN 0.292 nan 8.370 nan 0.000 0.464 690 A N 0.892 123.652 122.820 -0.101 0.000 1.908 690 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 690 A C 2.495 180.005 177.584 -0.122 0.000 1.181 690 A CA 1.848 53.817 52.037 -0.114 0.000 0.627 690 A CB -0.493 18.417 19.000 -0.150 0.000 0.818 690 A HN 0.135 nan 8.150 nan 0.000 0.445 691 S N -0.615 114.995 115.700 -0.150 0.000 2.355 691 S HA -0.116 4.354 4.470 -0.000 0.000 0.222 691 S C 1.846 176.327 174.600 -0.199 0.000 1.031 691 S CA 1.346 59.454 58.200 -0.154 0.000 0.993 691 S CB -0.430 62.674 63.200 -0.160 0.000 0.859 691 S HN 0.484 nan 8.310 nan 0.000 0.453 692 L N 2.099 123.208 121.223 -0.190 0.000 2.131 692 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 692 L C 2.134 178.809 176.870 -0.325 0.000 1.092 692 L CA 1.701 56.388 54.840 -0.253 0.000 0.759 692 L CB -0.760 41.278 42.059 -0.034 0.000 0.903 692 L HN 0.288 nan 8.230 nan 0.000 0.435 693 Q N -0.730 118.967 119.800 -0.171 0.000 2.224 693 Q HA -0.127 4.213 4.340 -0.000 0.000 0.203 693 Q C 1.640 177.642 176.000 0.004 0.000 0.970 693 Q CA 1.222 56.962 55.803 -0.105 0.000 0.865 693 Q CB -0.054 28.656 28.738 -0.047 0.000 0.922 693 Q HN 0.520 nan 8.270 nan 0.000 0.445 694 R N -0.544 119.951 120.500 -0.009 0.000 2.388 694 R HA 0.088 4.428 4.340 -0.000 0.000 0.247 694 R C -0.509 175.921 176.300 0.218 0.000 0.931 694 R CA -0.169 56.000 56.100 0.115 0.000 1.082 694 R CB 0.322 30.627 30.300 0.007 0.000 1.135 694 R HN 0.090 nan 8.270 nan 0.000 0.525 695 F N -0.274 119.465 119.950 -0.351 0.000 3.057 695 F HA -0.271 4.256 4.527 -0.000 0.000 0.287 695 F C 0.259 175.712 175.800 -0.578 0.000 0.834 695 F CA 0.303 57.923 58.000 -0.632 0.000 1.147 695 F CB -1.899 36.962 39.000 -0.230 0.000 1.245 695 F HN 0.162 nan 8.300 nan 0.000 0.509 696 N N 0.995 119.518 118.700 -0.296 0.000 3.229 696 N HA 0.196 4.936 4.740 -0.000 0.000 0.275 696 N C 0.996 176.422 175.510 -0.141 0.000 1.225 696 N CA -0.157 52.818 53.050 -0.126 0.000 1.119 696 N CB -0.343 38.102 38.487 -0.070 0.000 1.392 696 N HN 0.227 nan 8.380 nan 0.000 0.520 697 F N 1.073 121.062 119.950 0.065 0.000 2.202 697 F HA -0.139 4.388 4.527 -0.000 0.000 0.301 697 F C 2.343 178.142 175.800 -0.002 0.000 1.082 697 F CA 0.984 59.023 58.000 0.065 0.000 1.313 697 F CB 0.090 39.161 39.000 0.119 0.000 1.024 697 F HN 0.342 nan 8.300 nan 0.000 0.495 698 K N 0.795 121.278 120.400 0.138 0.000 2.057 698 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 698 K C 2.077 178.699 176.600 0.036 0.000 1.049 698 K CA 1.154 57.472 56.287 0.051 0.000 0.931 698 K CB -0.280 32.236 32.500 0.028 0.000 0.714 698 K HN 0.301 nan 8.250 nan 0.000 0.440 699 L N 0.134 121.370 121.223 0.021 0.000 2.109 699 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 699 L C 2.452 179.301 176.870 -0.035 0.000 1.086 699 L CA 1.043 55.885 54.840 0.003 0.000 0.760 699 L CB -0.411 41.643 42.059 -0.008 0.000 0.910 699 L HN 0.328 nan 8.230 nan 0.000 0.437 700 A N 0.469 123.256 122.820 -0.054 0.000 1.883 700 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 700 A C 2.050 179.622 177.584 -0.021 0.000 1.186 700 A CA 1.484 53.441 52.037 -0.134 0.000 0.624 700 A CB -0.530 18.469 19.000 -0.001 0.000 0.822 700 A HN 0.314 nan 8.150 nan 0.000 0.444 701 I N -0.009 120.612 120.570 0.085 0.000 2.127 701 I HA -0.275 3.895 4.170 -0.000 0.000 0.241 701 I C 2.522 178.662 176.117 0.039 0.000 1.075 701 I CA 2.150 63.498 61.300 0.080 0.000 1.334 701 I CB -1.541 36.486 38.000 0.046 0.000 1.040 701 I HN 0.645 nan 8.210 nan 0.000 0.405 702 E N 1.139 121.335 120.200 -0.007 0.000 2.058 702 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 702 E C 2.287 178.780 176.600 -0.178 0.000 0.997 702 E CA 1.631 57.985 56.400 -0.076 0.000 0.801 702 E CB 0.009 29.675 29.700 -0.056 0.000 0.746 702 E HN 0.423 nan 8.360 nan 0.000 0.450 703 A N 0.643 123.399 122.820 -0.106 0.000 1.845 703 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 703 A C 2.076 179.608 177.584 -0.086 0.000 1.195 703 A CA 1.527 53.538 52.037 -0.044 0.000 0.616 703 A CB -1.221 17.798 19.000 0.032 0.000 0.832 703 A HN 0.453 nan 8.150 nan 0.000 0.443 704 F N 0.383 120.329 119.950 -0.005 0.000 2.202 704 F HA -0.202 4.325 4.527 -0.000 0.000 0.301 704 F C 2.776 178.512 175.800 -0.107 0.000 1.082 704 F CA 1.301 59.286 58.000 -0.024 0.000 1.313 704 F CB -0.425 38.571 39.000 -0.007 0.000 1.024 704 F HN 0.176 nan 8.300 nan 0.000 0.495 705 T N -0.226 114.346 114.554 0.029 0.000 2.708 705 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 705 T C 1.642 176.144 174.700 -0.331 0.000 1.037 705 T CA 1.410 63.464 62.100 -0.077 0.000 1.146 705 T CB -0.285 68.544 68.868 -0.064 0.000 0.865 705 T HN 0.225 nan 8.240 nan 0.000 0.435 706 N N 1.523 119.893 118.700 -0.550 0.000 2.396 706 N HA 0.048 4.788 4.740 -0.000 0.000 0.180 706 N C 1.778 176.792 175.510 -0.826 0.000 1.028 706 N CA 0.852 53.350 53.050 -0.920 0.000 0.893 706 N CB -0.242 37.186 38.487 -1.766 0.000 0.967 706 N HN 0.395 nan 8.380 nan 0.000 0.440 707 A N 0.428 123.017 122.820 -0.386 0.000 2.208 707 A HA -0.029 4.291 4.320 -0.000 0.000 0.209 707 A C -0.019 177.540 177.584 -0.042 0.000 1.161 707 A CA 0.126 52.123 52.037 -0.067 0.000 0.782 707 A CB -0.497 18.627 19.000 0.206 0.000 0.816 707 A HN 0.358 nan 8.150 nan 0.000 0.477 708 H N -0.741 118.352 119.070 0.037 0.000 2.861 708 H HA -0.170 4.386 4.556 -0.000 0.000 0.289 708 H C -0.298 175.053 175.328 0.038 0.000 1.176 708 H CA 1.098 57.161 56.048 0.025 0.000 1.146 708 H CB -1.689 28.078 29.762 0.009 0.000 1.330 708 H HN 0.657 nan 8.280 nan 0.000 0.379 709 D N 1.160 121.637 120.400 0.127 0.000 2.508 709 D HA 0.116 4.756 4.640 -0.000 0.000 0.224 709 D C 1.215 177.517 176.300 0.004 0.000 1.171 709 D CA -0.419 53.623 54.000 0.071 0.000 1.006 709 D CB 0.023 40.887 40.800 0.107 0.000 1.073 709 D HN 0.069 nan 8.370 nan 0.000 0.513 710 L N 2.808 124.043 121.223 0.019 0.000 2.131 710 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 710 L C 2.112 178.982 176.870 0.000 0.000 1.092 710 L CA 1.396 56.245 54.840 0.014 0.000 0.759 710 L CB -0.568 41.486 42.059 -0.009 0.000 0.903 710 L HN 0.306 nan 8.230 nan 0.000 0.435 711 E N -1.014 119.161 120.200 -0.042 0.000 2.077 711 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 711 E C 2.374 178.949 176.600 -0.042 0.000 0.989 711 E CA 1.389 57.775 56.400 -0.022 0.000 0.800 711 E CB -0.166 29.506 29.700 -0.048 0.000 0.746 711 E HN 0.330 nan 8.360 nan 0.000 0.452 712 S N 0.223 115.769 115.700 -0.256 0.000 2.377 712 S HA -0.061 4.409 4.470 -0.000 0.000 0.223 712 S C 1.749 176.108 174.600 -0.401 0.000 1.030 712 S CA 0.441 58.314 58.200 -0.546 0.000 0.970 712 S CB -0.226 62.110 63.200 -1.441 0.000 0.830 712 S HN 0.137 nan 8.310 nan 0.000 0.473 713 L N 1.324 122.397 121.223 -0.250 0.000 2.127 713 L HA -0.014 4.326 4.340 -0.000 0.000 0.211 713 L C 1.845 178.708 176.870 -0.012 0.000 1.089 713 L CA 1.539 56.333 54.840 -0.078 0.000 0.757 713 L CB -0.824 41.269 42.059 0.057 0.000 0.899 713 L HN 0.336 nan 8.230 nan 0.000 0.434 714 F N -0.657 119.245 119.950 -0.080 0.000 2.186 714 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 714 F C 1.997 177.769 175.800 -0.046 0.000 1.090 714 F CA 1.472 59.456 58.000 -0.027 0.000 1.307 714 F CB -0.315 38.663 39.000 -0.036 0.000 1.019 714 F HN 0.040 nan 8.300 nan 0.000 0.489 715 L N -0.316 120.756 121.223 -0.251 0.000 2.131 715 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 715 L C 2.378 179.051 176.870 -0.330 0.000 1.092 715 L CA 1.015 55.637 54.840 -0.364 0.000 0.759 715 L CB -0.652 41.298 42.059 -0.181 0.000 0.903 715 L HN 0.256 nan 8.230 nan 0.000 0.435 716 L N -1.550 119.543 121.223 -0.218 0.000 2.022 716 L HA -0.157 4.183 4.340 -0.000 0.000 0.204 716 L C 2.743 179.558 176.870 -0.092 0.000 1.076 716 L CA 0.840 55.600 54.840 -0.134 0.000 0.749 716 L CB -0.846 41.193 42.059 -0.033 0.000 0.903 716 L HN 0.254 nan 8.230 nan 0.000 0.439 717 H N -0.171 118.906 119.070 0.012 0.000 2.422 717 H HA -0.122 4.434 4.556 -0.000 0.000 0.298 717 H C 2.565 177.842 175.328 -0.084 0.000 1.098 717 H CA 1.685 57.746 56.048 0.022 0.000 1.315 717 H CB -0.301 29.482 29.762 0.034 0.000 1.382 717 H HN 0.411 nan 8.280 nan 0.000 0.523 718 S N -0.614 114.988 115.700 -0.164 0.000 2.436 718 S HA -0.029 4.441 4.470 -0.000 0.000 0.228 718 S C 2.302 176.751 174.600 -0.252 0.000 1.014 718 S CA 0.802 58.838 58.200 -0.274 0.000 0.950 718 S CB -0.012 62.777 63.200 -0.685 0.000 0.784 718 S HN 0.149 nan 8.310 nan 0.000 0.504 719 S N 1.046 116.548 115.700 -0.328 0.000 2.362 719 S HA 0.259 4.729 4.470 -0.000 0.000 0.221 719 S C 1.061 175.407 174.600 -0.423 0.000 1.032 719 S CA 0.786 58.722 58.200 -0.441 0.000 0.973 719 S CB -0.446 62.354 63.200 -0.667 0.000 0.849 719 S HN 0.651 nan 8.310 nan 0.000 0.465 720 F N 1.816 121.696 119.950 -0.117 0.000 2.797 720 F HA 0.263 4.790 4.527 -0.000 0.000 0.302 720 F C 0.639 176.410 175.800 -0.048 0.000 1.130 720 F CA -0.298 57.648 58.000 -0.091 0.000 1.387 720 F CB -0.197 38.755 39.000 -0.079 0.000 1.107 720 F HN 0.050 nan 8.300 nan 0.000 0.577 721 N N 1.673 120.422 118.700 0.081 0.000 2.714 721 N HA -0.252 4.488 4.740 -0.000 0.000 0.253 721 N C -0.623 174.922 175.510 0.058 0.000 1.024 721 N CA 0.317 53.392 53.050 0.042 0.000 0.726 721 N CB -1.467 37.027 38.487 0.012 0.000 0.908 721 N HN 0.290 nan 8.380 nan 0.000 0.542 722 N N 1.272 120.028 118.700 0.095 0.000 2.719 722 N HA 0.071 4.811 4.740 -0.000 0.000 0.243 722 N C 1.162 176.640 175.510 -0.054 0.000 1.104 722 N CA -0.062 53.007 53.050 0.032 0.000 0.981 722 N CB 0.553 39.087 38.487 0.079 0.000 1.290 722 N HN 0.329 nan 8.380 nan 0.000 0.513 723 K N 2.123 122.498 120.400 -0.042 0.000 2.034 723 K HA -0.215 4.105 4.320 -0.000 0.000 0.214 723 K C 1.295 177.851 176.600 -0.074 0.000 1.051 723 K CA 1.436 57.693 56.287 -0.050 0.000 0.931 723 K CB 0.106 32.581 32.500 -0.042 0.000 0.715 723 K HN 0.541 nan 8.250 nan 0.000 0.446 724 E N -0.662 119.484 120.200 -0.090 0.000 2.153 724 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 724 E C 1.882 178.380 176.600 -0.171 0.000 0.988 724 E CA 1.211 57.552 56.400 -0.099 0.000 0.811 724 E CB -0.109 29.541 29.700 -0.082 0.000 0.746 724 E HN 0.532 nan 8.360 nan 0.000 0.466 725 G N 1.339 109.945 108.800 -0.324 0.000 2.404 725 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 725 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 725 G C 1.684 176.397 174.900 -0.312 0.000 1.174 725 G CA 0.525 45.244 45.100 -0.635 0.000 0.780 725 G HN 0.179 nan 8.290 nan 0.000 0.537 726 L N 0.252 121.378 121.223 -0.162 0.000 2.012 726 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 726 L C 3.013 179.831 176.870 -0.085 0.000 1.073 726 L CA 0.613 55.440 54.840 -0.022 0.000 0.748 726 L CB -0.690 41.385 42.059 0.026 0.000 0.891 726 L HN 0.082 nan 8.230 nan 0.000 0.431 727 V N -0.489 119.377 119.914 -0.079 0.000 2.287 727 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 727 V C 2.588 178.630 176.094 -0.087 0.000 1.053 727 V CA 2.460 64.722 62.300 -0.063 0.000 1.027 727 V CB -0.827 31.012 31.823 0.026 0.000 0.646 727 V HN 0.482 nan 8.190 nan 0.000 0.447 728 T N 0.240 114.754 114.554 -0.067 0.000 2.684 728 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 728 T C 1.906 176.573 174.700 -0.055 0.000 1.036 728 T CA 1.993 64.065 62.100 -0.046 0.000 1.148 728 T CB -0.367 68.475 68.868 -0.042 0.000 0.863 728 T HN 0.382 nan 8.240 nan 0.000 0.436 729 L N 0.603 121.794 121.223 -0.053 0.000 2.083 729 L HA -0.089 4.250 4.340 -0.000 0.000 0.209 729 L C 2.663 179.458 176.870 -0.125 0.000 1.083 729 L CA 1.562 56.384 54.840 -0.030 0.000 0.752 729 L CB -0.506 41.592 42.059 0.064 0.000 0.899 729 L HN 0.266 nan 8.230 nan 0.000 0.433 730 A N -0.238 122.422 122.820 -0.266 0.000 1.902 730 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 730 A C 2.287 179.692 177.584 -0.299 0.000 1.181 730 A CA 1.928 53.666 52.037 -0.498 0.000 0.623 730 A CB -0.446 17.757 19.000 -1.328 0.000 0.818 730 A HN 0.458 nan 8.150 nan 0.000 0.443 731 K N -0.451 119.847 120.400 -0.170 0.000 2.097 731 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 731 K C 1.419 178.009 176.600 -0.016 0.000 1.049 731 K CA 1.470 57.753 56.287 -0.007 0.000 0.933 731 K CB -0.181 32.339 32.500 0.033 0.000 0.717 731 K HN 0.406 nan 8.250 nan 0.000 0.442 732 D N 0.455 120.828 120.400 -0.044 0.000 2.123 732 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 732 D C 1.818 178.076 176.300 -0.070 0.000 0.976 732 D CA 1.128 55.103 54.000 -0.042 0.000 0.831 732 D CB -0.154 40.632 40.800 -0.023 0.000 0.974 732 D HN 0.173 nan 8.370 nan 0.000 0.469 733 A N 0.910 123.672 122.820 -0.096 0.000 1.933 733 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 733 A C 2.085 179.570 177.584 -0.165 0.000 1.175 733 A CA 1.373 53.328 52.037 -0.137 0.000 0.628 733 A CB -0.489 18.417 19.000 -0.156 0.000 0.814 733 A HN 0.167 nan 8.150 nan 0.000 0.444 734 E N -0.953 119.212 120.200 -0.059 0.000 2.077 734 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 734 E C 1.954 178.551 176.600 -0.006 0.000 0.989 734 E CA 1.562 57.997 56.400 0.059 0.000 0.800 734 E CB -0.117 29.712 29.700 0.216 0.000 0.746 734 E HN 0.598 nan 8.360 nan 0.000 0.452 735 T N -0.173 114.368 114.554 -0.021 0.000 2.867 735 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 735 T C 1.749 176.399 174.700 -0.084 0.000 1.057 735 T CA 1.650 63.735 62.100 -0.025 0.000 1.136 735 T CB -0.171 68.682 68.868 -0.026 0.000 0.874 735 T HN 0.286 nan 8.240 nan 0.000 0.466 736 T N -1.377 113.092 114.554 -0.142 0.000 3.223 736 T HA 0.493 4.843 4.350 -0.000 0.000 0.259 736 T C 1.637 176.175 174.700 -0.270 0.000 1.015 736 T CA 0.439 62.442 62.100 -0.162 0.000 0.908 736 T CB 0.026 68.817 68.868 -0.128 0.000 1.054 736 T HN 0.416 nan 8.240 nan 0.000 0.567 737 G N 1.712 110.233 108.800 -0.464 0.000 2.212 737 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.266 737 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.266 737 G C 0.171 174.486 174.900 -0.974 0.000 0.978 737 G CA 0.101 44.698 45.100 -0.839 0.000 0.632 737 G HN 0.588 nan 8.290 nan 0.000 0.537 738 K N 0.952 121.000 120.400 -0.587 0.000 2.155 738 K HA 0.543 4.863 4.320 -0.000 0.000 0.240 738 K C 1.034 177.456 176.600 -0.297 0.000 1.193 738 K CA -0.358 55.709 56.287 -0.367 0.000 1.104 738 K CB -0.635 31.731 32.500 -0.225 0.000 1.558 738 K HN 0.399 nan 8.250 nan 0.000 0.313 739 F N -0.097 119.839 119.950 -0.023 0.000 2.206 739 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 739 F C 2.101 177.917 175.800 0.026 0.000 1.090 739 F CA 0.693 58.698 58.000 0.008 0.000 1.323 739 F CB -0.043 38.962 39.000 0.008 0.000 1.028 739 F HN 0.570 nan 8.300 nan 0.000 0.492 740 N N 0.945 119.732 118.700 0.145 0.000 2.331 740 N HA -0.145 4.595 4.740 -0.000 0.000 0.180 740 N C 2.032 177.560 175.510 0.029 0.000 1.019 740 N CA 0.374 53.473 53.050 0.082 0.000 0.881 740 N CB 0.062 38.551 38.487 0.003 0.000 0.972 740 N HN 0.322 nan 8.380 nan 0.000 0.435 741 L N 0.925 122.101 121.223 -0.078 0.000 2.027 741 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 741 L C 2.401 179.133 176.870 -0.229 0.000 1.074 741 L CA 1.353 56.040 54.840 -0.255 0.000 0.745 741 L CB -0.577 41.318 42.059 -0.273 0.000 0.898 741 L HN 0.136 nan 8.230 nan 0.000 0.433 742 A N -0.457 122.306 122.820 -0.096 0.000 1.933 742 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 742 A C 2.102 179.674 177.584 -0.021 0.000 1.175 742 A CA 1.685 53.647 52.037 -0.126 0.000 0.628 742 A CB -0.933 18.079 19.000 0.021 0.000 0.814 742 A HN 0.526 nan 8.150 nan 0.000 0.444 743 F N 1.230 121.231 119.950 0.086 0.000 2.075 743 F HA -0.209 4.318 4.527 -0.000 0.000 0.297 743 F C 2.032 177.944 175.800 0.187 0.000 1.113 743 F CA 2.242 60.359 58.000 0.196 0.000 1.218 743 F CB -0.473 38.588 39.000 0.102 0.000 0.984 743 F HN 0.322 nan 8.300 nan 0.000 0.472 744 N N 0.009 118.877 118.700 0.279 0.000 2.223 744 N HA -0.184 4.556 4.740 -0.000 0.000 0.185 744 N C 1.933 177.575 175.510 0.220 0.000 1.016 744 N CA 0.831 54.037 53.050 0.261 0.000 0.863 744 N CB -0.311 38.246 38.487 0.116 0.000 0.983 744 N HN 0.404 nan 8.380 nan 0.000 0.429 745 A N 0.710 123.544 122.820 0.024 0.000 1.855 745 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 745 A C 1.679 179.277 177.584 0.023 0.000 1.191 745 A CA 1.112 53.200 52.037 0.084 0.000 0.613 745 A CB -0.890 18.036 19.000 -0.123 0.000 0.829 745 A HN 0.247 nan 8.150 nan 0.000 0.442 746 Y N -1.382 118.895 120.300 -0.038 0.000 2.097 746 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 746 Y C 2.402 178.217 175.900 -0.142 0.000 1.152 746 Y CA 1.061 59.093 58.100 -0.114 0.000 1.136 746 Y CB -0.847 37.495 38.460 -0.197 0.000 0.975 746 Y HN 0.580 nan 8.280 nan 0.000 0.498 747 W N 0.932 122.116 121.300 -0.194 0.000 2.304 747 W HA -0.289 4.371 4.660 -0.000 0.000 0.315 747 W C 1.891 178.369 176.519 -0.068 0.000 1.233 747 W CA 2.146 59.363 57.345 -0.214 0.000 1.261 747 W CB -0.505 28.825 29.460 -0.217 0.000 1.150 747 W HN 0.130 nan 8.180 nan 0.000 0.494 748 I N 0.663 121.240 120.570 0.013 0.000 2.439 748 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 748 I C 2.549 178.595 176.117 -0.118 0.000 1.139 748 I CA 1.082 62.352 61.300 -0.051 0.000 1.438 748 I CB -0.952 37.108 38.000 0.099 0.000 1.085 748 I HN -0.092 nan 8.210 nan 0.000 0.427 749 A N 0.511 123.287 122.820 -0.074 0.000 2.119 749 A HA 0.143 4.463 4.320 -0.000 0.000 0.217 749 A C 2.006 179.507 177.584 -0.140 0.000 1.153 749 A CA 1.136 53.130 52.037 -0.072 0.000 0.692 749 A CB -0.640 18.352 19.000 -0.014 0.000 0.799 749 A HN 0.573 nan 8.150 nan 0.000 0.458 750 G N -0.711 107.933 108.800 -0.260 0.000 2.176 750 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.253 750 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.253 750 G C 0.150 174.889 174.900 -0.267 0.000 0.979 750 G CA 0.411 45.306 45.100 -0.342 0.000 0.641 750 G HN 0.523 nan 8.290 nan 0.000 0.530 751 D N 0.660 120.959 120.400 -0.169 0.000 2.671 751 D HA 0.248 4.888 4.640 -0.000 0.000 0.228 751 D C 1.737 177.926 176.300 -0.184 0.000 1.102 751 D CA -0.313 53.615 54.000 -0.119 0.000 1.044 751 D CB -0.583 40.229 40.800 0.019 0.000 1.113 751 D HN 0.400 nan 8.370 nan 0.000 0.480 752 I N 1.121 121.565 120.570 -0.209 0.000 2.567 752 I HA -0.282 3.888 4.170 -0.000 0.000 0.257 752 I C 1.713 177.760 176.117 -0.115 0.000 1.184 752 I CA 0.913 62.123 61.300 -0.149 0.000 1.451 752 I CB 0.342 38.260 38.000 -0.138 0.000 1.089 752 I HN 0.188 nan 8.210 nan 0.000 0.441 753 Q N 0.692 120.405 119.800 -0.145 0.000 2.083 753 Q HA -0.073 4.267 4.340 -0.000 0.000 0.198 753 Q C 2.045 177.896 176.000 -0.248 0.000 0.969 753 Q CA 1.942 57.660 55.803 -0.141 0.000 0.838 753 Q CB -0.695 27.976 28.738 -0.112 0.000 0.900 753 Q HN 0.537 nan 8.270 nan 0.000 0.436 754 G N -0.419 108.118 108.800 -0.438 0.000 2.403 754 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.216 754 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.216 754 G C 1.426 175.783 174.900 -0.906 0.000 1.154 754 G CA 0.780 45.352 45.100 -0.879 0.000 0.784 754 G HN 0.465 nan 8.290 nan 0.000 0.538 755 A N 0.842 123.294 122.820 -0.613 0.000 1.877 755 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 755 A C 2.202 179.762 177.584 -0.040 0.000 1.186 755 A CA 2.080 53.929 52.037 -0.314 0.000 0.620 755 A CB -0.417 18.356 19.000 -0.378 0.000 0.822 755 A HN 0.372 nan 8.150 nan 0.000 0.443 756 K N -0.389 119.981 120.400 -0.050 0.000 2.002 756 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 756 K C 1.303 177.868 176.600 -0.059 0.000 1.048 756 K CA 1.838 58.125 56.287 0.001 0.000 0.930 756 K CB -0.353 32.149 32.500 0.003 0.000 0.714 756 K HN 0.346 nan 8.250 nan 0.000 0.438 757 D N 1.110 121.444 120.400 -0.111 0.000 2.182 757 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 757 D C 1.842 178.075 176.300 -0.112 0.000 0.986 757 D CA 0.699 54.633 54.000 -0.110 0.000 0.847 757 D CB -0.155 40.573 40.800 -0.120 0.000 0.942 757 D HN 0.192 nan 8.370 nan 0.000 0.467 758 L N 0.401 121.568 121.223 -0.094 0.000 2.093 758 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 758 L C 2.041 178.858 176.870 -0.088 0.000 1.085 758 L CA 1.256 56.078 54.840 -0.030 0.000 0.755 758 L CB -0.457 41.682 42.059 0.134 0.000 0.904 758 L HN -0.005 nan 8.230 nan 0.000 0.435 759 L N -1.085 120.104 121.223 -0.057 0.000 2.093 759 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 759 L C 2.480 179.145 176.870 -0.342 0.000 1.085 759 L CA 1.238 55.984 54.840 -0.157 0.000 0.755 759 L CB -0.397 41.604 42.059 -0.097 0.000 0.904 759 L HN 0.279 nan 8.230 nan 0.000 0.435 760 I N -0.218 120.155 120.570 -0.330 0.000 2.252 760 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 760 I C 2.375 178.216 176.117 -0.461 0.000 1.102 760 I CA 1.238 62.232 61.300 -0.510 0.000 1.385 760 I CB -0.226 37.633 38.000 -0.235 0.000 1.064 760 I HN 0.193 nan 8.210 nan 0.000 0.414 761 K N 0.411 120.648 120.400 -0.272 0.000 2.281 761 K HA -0.099 4.221 4.320 -0.000 0.000 0.203 761 K C 1.615 178.048 176.600 -0.278 0.000 1.046 761 K CA 1.333 57.491 56.287 -0.214 0.000 0.938 761 K CB -0.139 32.257 32.500 -0.172 0.000 0.737 761 K HN 0.217 nan 8.250 nan 0.000 0.458 762 S N 0.543 116.026 115.700 -0.362 0.000 2.597 762 S HA 0.050 4.520 4.470 -0.000 0.000 0.224 762 S C -0.290 174.116 174.600 -0.323 0.000 0.955 762 S CA -0.207 57.782 58.200 -0.352 0.000 0.933 762 S CB 0.417 63.389 63.200 -0.380 0.000 0.788 762 S HN 0.204 nan 8.310 nan 0.000 0.488 763 Q N 0.489 120.008 119.800 -0.468 0.000 2.489 763 Q HA -0.166 4.174 4.340 -0.000 0.000 0.259 763 Q C 0.077 175.809 176.000 -0.446 0.000 0.934 763 Q CA 0.667 56.215 55.803 -0.424 0.000 1.131 763 Q CB -1.456 27.292 28.738 0.017 0.000 1.472 763 Q HN 0.403 nan 8.270 nan 0.000 0.560 764 R N 0.119 120.261 120.500 -0.597 0.000 4.141 764 R HA 0.171 4.511 4.340 -0.000 0.000 0.281 764 R C 0.277 176.286 176.300 -0.486 0.000 1.608 764 R CA -0.132 55.727 56.100 -0.401 0.000 1.426 764 R CB -0.253 29.864 30.300 -0.304 0.000 1.432 764 R HN 0.227 nan 8.270 nan 0.000 0.708 765 F N 0.524 120.266 119.950 -0.348 0.000 2.126 765 F HA -0.285 4.242 4.527 -0.000 0.000 0.299 765 F C 2.745 178.043 175.800 -0.837 0.000 1.096 765 F CA 1.707 59.426 58.000 -0.468 0.000 1.255 765 F CB -0.639 38.129 39.000 -0.388 0.000 0.997 765 F HN 0.207 nan 8.300 nan 0.000 0.479 766 S N 0.076 115.122 115.700 -1.090 0.000 2.382 766 S HA -0.224 4.246 4.470 -0.000 0.000 0.228 766 S C 1.695 175.752 174.600 -0.904 0.000 1.027 766 S CA 1.540 58.849 58.200 -1.484 0.000 0.991 766 S CB -0.736 61.784 63.200 -1.134 0.000 0.823 766 S HN 0.558 nan 8.310 nan 0.000 0.469 767 E N 1.590 121.565 120.200 -0.375 0.000 2.208 767 E HA 0.132 4.482 4.350 -0.000 0.000 0.193 767 E C 2.314 178.880 176.600 -0.057 0.000 0.988 767 E CA 0.732 57.127 56.400 -0.007 0.000 0.828 767 E CB -0.329 29.358 29.700 -0.022 0.000 0.763 767 E HN 0.728 nan 8.360 nan 0.000 0.478 768 A N 1.393 124.110 122.820 -0.173 0.000 1.968 768 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 768 A C 2.330 179.881 177.584 -0.055 0.000 1.169 768 A CA 1.312 53.303 52.037 -0.077 0.000 0.638 768 A CB -0.338 18.597 19.000 -0.107 0.000 0.812 768 A HN 0.272 nan 8.150 nan 0.000 0.446 769 A N -0.790 121.908 122.820 -0.204 0.000 1.897 769 A HA 0.075 4.395 4.320 -0.000 0.000 0.215 769 A C 1.966 179.501 177.584 -0.083 0.000 1.181 769 A CA 1.163 53.111 52.037 -0.149 0.000 0.620 769 A CB -0.741 18.121 19.000 -0.231 0.000 0.821 769 A HN 0.485 nan 8.150 nan 0.000 0.443 770 F N -0.126 119.834 119.950 0.017 0.000 2.069 770 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 770 F C 2.289 178.142 175.800 0.088 0.000 1.113 770 F CA 1.237 59.258 58.000 0.036 0.000 1.214 770 F CB -0.409 38.587 39.000 -0.007 0.000 0.978 770 F HN 0.144 nan 8.300 nan 0.000 0.474 771 L N 0.201 121.610 121.223 0.309 0.000 1.963 771 L HA -0.273 4.067 4.340 -0.000 0.000 0.220 771 L C 2.738 179.829 176.870 0.369 0.000 1.076 771 L CA 2.015 57.076 54.840 0.369 0.000 0.772 771 L CB -1.372 40.858 42.059 0.285 0.000 0.892 771 L HN 0.334 nan 8.230 nan 0.000 0.435 772 G N -0.974 107.966 108.800 0.234 0.000 2.503 772 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.221 772 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.221 772 G C 1.687 176.692 174.900 0.175 0.000 1.131 772 G CA 1.296 46.510 45.100 0.190 0.000 0.756 772 G HN 0.591 nan 8.290 nan 0.000 0.572 773 S N -0.583 115.211 115.700 0.158 0.000 2.406 773 S HA -0.042 4.428 4.470 -0.000 0.000 0.224 773 S C 2.240 176.891 174.600 0.086 0.000 1.030 773 S CA 1.734 60.006 58.200 0.121 0.000 0.958 773 S CB -0.584 62.691 63.200 0.125 0.000 0.811 773 S HN 0.234 nan 8.310 nan 0.000 0.489 774 T N 0.956 115.556 114.554 0.078 0.000 2.746 774 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 774 T C 0.556 175.079 174.700 -0.295 0.000 1.039 774 T CA 1.309 63.336 62.100 -0.122 0.000 1.142 774 T CB -0.466 68.284 68.868 -0.197 0.000 0.866 774 T HN 0.585 nan 8.240 nan 0.000 0.444 775 Y N 0.854 121.241 120.300 0.145 0.000 2.645 775 Y HA 0.436 4.986 4.550 -0.000 0.000 0.307 775 Y C 1.506 177.462 175.900 0.094 0.000 1.151 775 Y CA -0.953 57.230 58.100 0.138 0.000 1.291 775 Y CB -0.403 38.175 38.460 0.197 0.000 1.135 775 Y HN 0.244 nan 8.280 nan 0.000 0.523 776 G N 1.378 110.257 108.800 0.131 0.000 2.369 776 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.286 776 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.286 776 G C 0.712 175.677 174.900 0.108 0.000 0.938 776 G CA 0.370 45.530 45.100 0.101 0.000 1.271 776 G HN 0.605 nan 8.290 nan 0.000 0.488 777 L N 0.220 121.515 121.223 0.119 0.000 2.610 777 L HA 0.307 4.647 4.340 -0.000 0.000 0.232 777 L C 1.687 178.597 176.870 0.067 0.000 1.149 777 L CA 0.654 55.550 54.840 0.094 0.000 0.872 777 L CB -0.671 41.449 42.059 0.101 0.000 0.992 777 L HN 1.195 nan 8.230 nan 0.000 0.447 778 G N 0.009 108.846 108.800 0.063 0.000 2.719 778 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 778 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 778 G C -0.091 174.837 174.900 0.046 0.000 1.201 778 G CA -0.421 44.707 45.100 0.048 0.000 0.768 778 G HN 0.081 nan 8.290 nan 0.000 0.629 779 D N 0.698 121.120 120.400 0.038 0.000 2.172 779 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 779 D C 2.325 178.644 176.300 0.033 0.000 0.999 779 D CA 1.761 55.782 54.000 0.034 0.000 0.856 779 D CB 0.018 40.833 40.800 0.026 0.000 0.934 779 D HN 0.411 nan 8.370 nan 0.000 0.453 780 N N 0.854 119.572 118.700 0.030 0.000 2.039 780 N HA -0.122 4.617 4.740 -0.000 0.000 0.193 780 N C 1.691 177.222 175.510 0.035 0.000 1.044 780 N CA 0.892 53.958 53.050 0.028 0.000 0.847 780 N CB -0.334 38.166 38.487 0.023 0.000 1.030 780 N HN 0.397 nan 8.380 nan 0.000 0.422 781 E N 0.262 120.486 120.200 0.040 0.000 2.051 781 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 781 E C 1.993 178.629 176.600 0.060 0.000 0.991 781 E CA 0.949 57.377 56.400 0.047 0.000 0.799 781 E CB -0.130 29.599 29.700 0.049 0.000 0.748 781 E HN 0.069 nan 8.360 nan 0.000 0.449 782 V N 1.876 121.828 119.914 0.064 0.000 2.332 782 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 782 V C 1.818 177.957 176.094 0.075 0.000 1.055 782 V CA 1.991 64.336 62.300 0.076 0.000 1.038 782 V CB -0.653 31.214 31.823 0.073 0.000 0.651 782 V HN 0.294 nan 8.190 nan 0.000 0.450 783 N N -0.279 118.453 118.700 0.054 0.000 2.309 783 N HA -0.198 4.542 4.740 -0.000 0.000 0.182 783 N C 1.610 177.147 175.510 0.045 0.000 1.018 783 N CA 1.211 54.285 53.050 0.040 0.000 0.876 783 N CB -0.079 38.422 38.487 0.023 0.000 0.972 783 N HN 0.610 nan 8.380 nan 0.000 0.434 784 D N 0.776 121.207 120.400 0.052 0.000 2.123 784 D HA -0.018 4.622 4.640 -0.000 0.000 0.200 784 D C 1.833 178.186 176.300 0.087 0.000 0.976 784 D CA 0.725 54.758 54.000 0.055 0.000 0.831 784 D CB 0.114 40.943 40.800 0.049 0.000 0.974 784 D HN 0.163 nan 8.370 nan 0.000 0.469 785 I N -0.173 120.463 120.570 0.110 0.000 2.226 785 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 785 I C 2.309 178.566 176.117 0.232 0.000 1.100 785 I CA 0.523 61.923 61.300 0.166 0.000 1.374 785 I CB -0.117 37.964 38.000 0.136 0.000 1.057 785 I HN 0.004 nan 8.210 nan 0.000 0.413 786 V N 0.521 120.556 119.914 0.203 0.000 2.490 786 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 786 V C 2.464 178.604 176.094 0.076 0.000 1.061 786 V CA 2.333 64.757 62.300 0.208 0.000 1.064 786 V CB -0.809 31.061 31.823 0.079 0.000 0.670 786 V HN 0.482 nan 8.190 nan 0.000 0.461 787 T N -0.419 114.160 114.554 0.042 0.000 2.737 787 T HA -0.177 4.173 4.350 -0.000 0.000 0.265 787 T C 1.927 176.611 174.700 -0.027 0.000 1.038 787 T CA 1.413 63.506 62.100 -0.012 0.000 1.144 787 T CB -0.180 68.687 68.868 -0.003 0.000 0.866 787 T HN 0.487 nan 8.240 nan 0.000 0.434 788 K N 0.001 120.414 120.400 0.021 0.000 2.063 788 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 788 K C 2.078 178.448 176.600 -0.383 0.000 1.048 788 K CA 1.373 57.625 56.287 -0.058 0.000 0.928 788 K CB -0.205 32.404 32.500 0.182 0.000 0.713 788 K HN 0.357 nan 8.250 nan 0.000 0.442 789 W N 2.672 123.706 121.300 -0.443 0.000 2.355 789 W HA -0.138 4.522 4.660 -0.000 0.000 0.309 789 W C 1.367 177.642 176.519 -0.406 0.000 1.206 789 W CA 1.323 58.347 57.345 -0.535 0.000 1.284 789 W CB -0.281 29.093 29.460 -0.143 0.000 1.145 789 W HN -0.095 nan 8.180 nan 0.000 0.502 790 K N -0.356 119.940 120.400 -0.173 0.000 2.097 790 K HA -0.184 4.136 4.320 -0.000 0.000 0.205 790 K C 1.864 178.357 176.600 -0.179 0.000 1.050 790 K CA 1.592 57.727 56.287 -0.254 0.000 0.938 790 K CB -0.322 32.032 32.500 -0.243 0.000 0.718 790 K HN -0.068 nan 8.250 nan 0.000 0.442 791 E N 1.382 121.479 120.200 -0.172 0.000 2.106 791 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 791 E C 1.623 178.127 176.600 -0.161 0.000 0.984 791 E CA 1.262 57.577 56.400 -0.141 0.000 0.806 791 E CB -0.136 29.496 29.700 -0.114 0.000 0.750 791 E HN 0.187 nan 8.360 nan 0.000 0.458 792 N N -0.883 117.646 118.700 -0.285 0.000 2.188 792 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 792 N C 1.448 176.890 175.510 -0.113 0.000 1.018 792 N CA 0.624 53.518 53.050 -0.260 0.000 0.858 792 N CB -0.170 37.942 38.487 -0.624 0.000 0.989 792 N HN 0.094 nan 8.380 nan 0.000 0.426 793 L N 0.892 122.062 121.223 -0.089 0.000 2.042 793 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 793 L C 1.909 178.759 176.870 -0.034 0.000 1.076 793 L CA 1.332 56.161 54.840 -0.018 0.000 0.749 793 L CB -0.712 41.325 42.059 -0.037 0.000 0.893 793 L HN 0.335 nan 8.230 nan 0.000 0.432 794 I N -1.512 119.022 120.570 -0.060 0.000 2.226 794 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 794 I C 1.894 177.993 176.117 -0.029 0.000 1.100 794 I CA 0.711 61.983 61.300 -0.047 0.000 1.374 794 I CB -0.209 37.757 38.000 -0.056 0.000 1.057 794 I HN 0.161 nan 8.210 nan 0.000 0.413 795 L N 0.465 121.670 121.223 -0.030 0.000 2.633 795 L HA -0.098 4.242 4.340 -0.000 0.000 0.235 795 L C 1.173 178.045 176.870 0.004 0.000 1.163 795 L CA 1.448 56.281 54.840 -0.011 0.000 0.859 795 L CB -0.835 41.220 42.059 -0.006 0.000 0.973 795 L HN 0.285 nan 8.230 nan 0.000 0.451 796 N N -0.530 118.172 118.700 0.005 0.000 2.351 796 N HA 0.152 4.892 4.740 -0.000 0.000 0.254 796 N C 0.804 176.320 175.510 0.010 0.000 1.241 796 N CA 0.619 53.679 53.050 0.017 0.000 0.883 796 N CB 0.870 39.377 38.487 0.034 0.000 1.202 796 N HN 0.212 nan 8.380 nan 0.000 0.512 797 G N 2.019 110.819 108.800 0.000 0.000 2.366 797 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.299 797 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.299 797 G C 0.119 175.017 174.900 -0.004 0.000 1.020 797 G CA 0.442 45.540 45.100 -0.003 0.000 1.026 797 G HN 0.338 nan 8.290 nan 0.000 0.512 798 K N -0.094 120.300 120.400 -0.009 0.000 3.271 798 K HA 0.204 4.524 4.320 -0.000 0.000 0.192 798 K C 1.174 177.755 176.600 -0.031 0.000 1.108 798 K CA -0.612 55.669 56.287 -0.010 0.000 0.902 798 K CB 0.182 32.685 32.500 0.006 0.000 0.889 798 K HN 0.170 nan 8.250 nan 0.000 0.520 799 N N 1.123 119.802 118.700 -0.034 0.000 2.289 799 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 799 N C 1.208 176.685 175.510 -0.055 0.000 1.016 799 N CA 1.852 54.873 53.050 -0.048 0.000 0.872 799 N CB 0.337 38.800 38.487 -0.040 0.000 0.973 799 N HN 0.407 nan 8.380 nan 0.000 0.433 800 T N -0.421 114.108 114.554 -0.042 0.000 2.643 800 T HA -0.142 4.208 4.350 -0.000 0.000 0.264 800 T C 2.216 176.882 174.700 -0.058 0.000 1.045 800 T CA 2.248 64.323 62.100 -0.042 0.000 1.155 800 T CB -1.149 67.703 68.868 -0.027 0.000 0.863 800 T HN 0.091 nan 8.240 nan 0.000 0.420 801 V N 0.456 120.338 119.914 -0.054 0.000 2.407 801 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 801 V C 2.754 178.762 176.094 -0.144 0.000 1.055 801 V CA 2.031 64.287 62.300 -0.073 0.000 1.049 801 V CB -1.604 30.200 31.823 -0.032 0.000 0.662 801 V HN 0.543 nan 8.190 nan 0.000 0.455 802 S N 0.943 116.559 115.700 -0.141 0.000 2.380 802 S HA -0.313 4.157 4.470 -0.000 0.000 0.229 802 S C 1.888 176.367 174.600 -0.202 0.000 1.043 802 S CA 2.375 60.459 58.200 -0.194 0.000 1.038 802 S CB -0.527 62.591 63.200 -0.136 0.000 0.872 802 S HN 0.856 nan 8.310 nan 0.000 0.456 803 E N -0.495 119.619 120.200 -0.143 0.000 2.478 803 E HA 0.097 4.447 4.350 -0.000 0.000 0.194 803 E C 2.193 178.716 176.600 -0.129 0.000 1.045 803 E CA -0.050 56.275 56.400 -0.126 0.000 0.868 803 E CB 0.169 29.817 29.700 -0.087 0.000 0.885 803 E HN 0.375 nan 8.360 nan 0.000 0.505 804 R N 0.727 121.139 120.500 -0.145 0.000 2.112 804 R HA 0.058 4.398 4.340 -0.000 0.000 0.216 804 R C 1.243 177.438 176.300 -0.175 0.000 1.080 804 R CA 0.206 56.228 56.100 -0.129 0.000 0.996 804 R CB -0.463 29.776 30.300 -0.102 0.000 0.902 804 R HN 0.092 nan 8.270 nan 0.000 0.449 805 V N 2.261 122.003 119.914 -0.287 0.000 2.529 805 V HA 0.021 4.141 4.120 -0.000 0.000 0.292 805 V C 0.142 176.060 176.094 -0.293 0.000 1.028 805 V CA -0.465 61.596 62.300 -0.399 0.000 1.074 805 V CB 0.277 31.584 31.823 -0.860 0.000 0.958 805 V HN 0.188 nan 8.190 nan 0.000 0.481 806 C N 5.768 124.947 119.300 -0.202 0.000 2.443 806 C HA 0.765 5.225 4.460 -0.000 0.000 0.369 806 C C 1.213 176.145 174.990 -0.096 0.000 1.241 806 C CA 0.064 59.011 59.018 -0.120 0.000 2.413 806 C CB 0.523 28.226 27.740 -0.063 0.000 2.451 806 C HN 1.198 nan 8.230 nan 0.000 0.595 807 G N 0.369 109.134 108.800 -0.058 0.000 2.543 807 G HA2 0.461 4.421 3.960 -0.000 0.000 0.290 807 G HA3 0.461 4.421 3.960 -0.000 0.000 0.290 807 G C 1.015 175.918 174.900 0.003 0.000 1.310 807 G CA 0.249 45.334 45.100 -0.025 0.000 1.025 807 G HN 1.081 nan 8.290 nan 0.000 0.502 808 A N -0.461 122.372 122.820 0.021 0.000 2.009 808 A HA -0.175 4.145 4.320 -0.000 0.000 0.222 808 A C 2.099 179.698 177.584 0.024 0.000 1.175 808 A CA 2.480 54.536 52.037 0.032 0.000 0.651 808 A CB -0.639 18.382 19.000 0.034 0.000 0.815 808 A HN 0.779 nan 8.150 nan 0.000 0.459 809 E N -0.369 119.839 120.200 0.013 0.000 2.204 809 E HA -0.010 4.340 4.350 -0.000 0.000 0.195 809 E C 1.681 178.287 176.600 0.010 0.000 0.990 809 E CA 0.965 57.370 56.400 0.009 0.000 0.821 809 E CB -0.905 28.795 29.700 0.001 0.000 0.750 809 E HN 0.447 nan 8.360 nan 0.000 0.477 810 G N 0.385 109.190 108.800 0.008 0.000 2.776 810 G HA2 0.118 4.078 3.960 -0.000 0.000 0.209 810 G HA3 0.118 4.078 3.960 -0.000 0.000 0.209 810 G C 0.141 175.057 174.900 0.026 0.000 1.145 810 G CA 0.110 45.216 45.100 0.011 0.000 0.791 810 G HN 0.085 nan 8.290 nan 0.000 0.530 811 L N 0.380 121.622 121.223 0.032 0.000 2.354 811 L HA 0.417 4.757 4.340 -0.000 0.000 0.264 811 L C -1.684 175.205 176.870 0.032 0.000 1.008 811 L CA -2.172 52.692 54.840 0.041 0.000 0.819 811 L CB 2.211 44.304 42.059 0.057 0.000 1.339 811 L HN -0.093 nan 8.230 nan 0.000 0.420 812 P HA 0.000 nan 4.420 nan 0.000 0.216 812 P CA 0.000 63.114 63.100 0.023 0.000 0.800 812 P CB 0.000 31.712 31.700 0.021 0.000 0.726