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 2epn_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATFLGLSSKQ EKALVRLDKY LNLGEIAVSL VXXXATSIKV EGRQGYYQVS DATA SEQUENCE YKQPHQLYRA LALLSAALRS GQDEVQIEEE AAYEDLAYMA DCSRNAVLNL DATA SEQUENCE SSAKKMIEVL ALMGYSTFEL YMEDTYEIEN QPYFGYFRGR YTVAELQEIE DATA SEQUENCE DYAADFDMSF VPCIQTLAHL SAFVKWGIKE VQELRDVEDI LLIGEEKVYD DATA SEQUENCE LIEGMFQTMA HLHTRKINIG MDEAHLVGLG RYLIKHGFQN RSLLMCQHLE DATA SEQUENCE RVLDIADKYG FNCQMWSDMF FKLMSADGQY DRDVEIPEET RVYLDRLKER DATA SEQUENCE VTLVYWDYYQ DSEEKYNRNF QNHHKISQDI AFAGGAWKWI GFTPHNHFSR DATA SEQUENCE LVAIEANKAC RKNQVKEVIV TGWGDNGGET SQFSVLPALQ IWAELAYRND DATA SEQUENCE LKKVSEHFLV STGLDFDDFM KIDLANLLPD LPDNLSGINP NRYVLYQDVL DATA SEQUENCE CPLLEQHIRP EKDKQHFASS AQQLGEISKR AGEYAYIFET QAQLNALLAL DATA SEQUENCE KISITSGIQK AYRNGDKEHL SALAEKDFPQ LYQMVEDFSD QFSRQWQQEN DATA SEQUENCE KIFGLDTIDI RFGGLLKRIK RAQERLEQFI SGQIDCVEEL EQEILPFNDF DATA SEQUENCE YKDQGLTATT ANQWHLIATA STIYTT 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.576 177.584 -0.014 0.000 1.274 2 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 2 A CB 0.000 18.938 19.000 -0.103 0.000 0.831 3 T N -1.109 113.363 114.554 -0.135 0.000 2.918 3 T HA 0.862 5.210 4.350 -0.004 0.000 0.286 3 T C -0.734 173.821 174.700 -0.242 0.000 1.026 3 T CA -0.548 61.531 62.100 -0.035 0.000 1.031 3 T CB 1.122 69.993 68.868 0.005 0.000 1.046 3 T HN 0.637 nan 8.240 nan 0.000 0.479 4 F N 0.364 120.345 119.950 0.051 0.000 2.565 4 F HA 0.650 5.175 4.527 -0.004 0.000 0.313 4 F C -0.516 175.317 175.800 0.055 0.000 1.091 4 F CA -1.140 56.895 58.000 0.058 0.000 0.915 4 F CB 2.106 41.138 39.000 0.052 0.000 1.208 4 F HN 0.421 nan 8.300 nan 0.000 0.453 5 L N 1.723 123.081 121.223 0.224 0.000 2.346 5 L HA 0.684 5.022 4.340 -0.004 0.000 0.276 5 L C 0.606 177.581 176.870 0.174 0.000 1.006 5 L CA -0.522 54.414 54.840 0.161 0.000 0.817 5 L CB 1.910 44.030 42.059 0.102 0.000 1.272 5 L HN 0.896 nan 8.230 nan 0.000 0.421 6 G N 2.612 111.490 108.800 0.131 0.000 2.159 6 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.227 6 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.227 6 G C -0.119 174.849 174.900 0.113 0.000 0.986 6 G CA -0.526 44.640 45.100 0.110 0.000 0.651 6 G HN 0.376 nan 8.290 nan 0.000 0.523 7 L N 2.057 123.343 121.223 0.106 0.000 2.371 7 L HA 0.532 4.870 4.340 -0.004 0.000 0.272 7 L C 1.486 178.375 176.870 0.031 0.000 1.124 7 L CA 0.042 54.910 54.840 0.047 0.000 0.816 7 L CB 1.312 43.353 42.059 -0.030 0.000 1.129 7 L HN 0.452 nan 8.230 nan 0.000 0.448 8 S N 0.276 115.988 115.700 0.020 0.000 2.645 8 S HA 0.128 4.596 4.470 -0.004 0.000 0.266 8 S C 1.162 175.754 174.600 -0.013 0.000 1.258 8 S CA -0.188 58.018 58.200 0.010 0.000 0.990 8 S CB 1.513 64.723 63.200 0.017 0.000 0.967 8 S HN 0.715 nan 8.310 nan 0.000 0.556 9 S N 0.806 116.497 115.700 -0.016 0.000 2.382 9 S HA -0.178 4.290 4.470 -0.004 0.000 0.228 9 S C 1.738 176.308 174.600 -0.050 0.000 1.027 9 S CA 1.104 59.286 58.200 -0.030 0.000 0.991 9 S CB -0.709 62.477 63.200 -0.025 0.000 0.823 9 S HN 0.830 nan 8.310 nan 0.000 0.469 10 K N 1.264 121.636 120.400 -0.048 0.000 2.032 10 K HA -0.190 4.128 4.320 -0.004 0.000 0.209 10 K C 2.474 179.027 176.600 -0.079 0.000 1.048 10 K CA 1.750 57.993 56.287 -0.073 0.000 0.927 10 K CB -0.273 32.195 32.500 -0.054 0.000 0.712 10 K HN 0.526 nan 8.250 nan 0.000 0.441 11 Q N 0.279 120.059 119.800 -0.033 0.000 2.079 11 Q HA -0.163 4.175 4.340 -0.004 0.000 0.200 11 Q C 1.968 177.928 176.000 -0.068 0.000 0.974 11 Q CA 1.645 57.448 55.803 0.000 0.000 0.840 11 Q CB -0.001 28.725 28.738 -0.020 0.000 0.898 11 Q HN 0.416 nan 8.270 nan 0.000 0.430 12 E N 0.994 121.135 120.200 -0.099 0.000 2.086 12 E HA -0.262 4.086 4.350 -0.004 0.000 0.200 12 E C 1.934 178.469 176.600 -0.109 0.000 1.012 12 E CA 1.254 57.582 56.400 -0.119 0.000 0.812 12 E CB -0.086 29.567 29.700 -0.079 0.000 0.743 12 E HN 0.187 nan 8.360 nan 0.000 0.453 13 K N 0.420 120.751 120.400 -0.115 0.000 2.057 13 K HA -0.161 4.157 4.320 -0.004 0.000 0.207 13 K C 2.140 178.620 176.600 -0.200 0.000 1.049 13 K CA 1.209 57.411 56.287 -0.142 0.000 0.931 13 K CB -0.105 32.297 32.500 -0.162 0.000 0.714 13 K HN 0.107 nan 8.250 nan 0.000 0.440 14 A N 0.937 123.596 122.820 -0.268 0.000 1.898 14 A HA -0.121 4.197 4.320 -0.004 0.000 0.216 14 A C 1.969 179.483 177.584 -0.116 0.000 1.181 14 A CA 1.089 52.895 52.037 -0.385 0.000 0.620 14 A CB -0.455 18.207 19.000 -0.564 0.000 0.819 14 A HN 0.255 nan 8.150 nan 0.000 0.442 15 L N -0.354 120.833 121.223 -0.060 0.000 2.131 15 L HA -0.127 4.211 4.340 -0.004 0.000 0.210 15 L C 2.540 179.408 176.870 -0.003 0.000 1.092 15 L CA 1.227 56.051 54.840 -0.026 0.000 0.759 15 L CB -0.814 41.151 42.059 -0.156 0.000 0.903 15 L HN 0.204 nan 8.230 nan 0.000 0.435 16 V N -0.521 119.377 119.914 -0.026 0.000 2.332 16 V HA -0.314 3.804 4.120 -0.004 0.000 0.248 16 V C 2.602 178.721 176.094 0.042 0.000 1.055 16 V CA 1.748 64.050 62.300 0.003 0.000 1.038 16 V CB -0.572 31.242 31.823 -0.015 0.000 0.651 16 V HN 0.433 nan 8.190 nan 0.000 0.450 17 R N -0.488 120.042 120.500 0.051 0.000 2.148 17 R HA 0.043 4.381 4.340 -0.004 0.000 0.223 17 R C 1.925 178.350 176.300 0.208 0.000 1.088 17 R CA 0.982 57.163 56.100 0.135 0.000 0.985 17 R CB -0.171 30.234 30.300 0.174 0.000 0.880 17 R HN 0.432 nan 8.270 nan 0.000 0.451 18 L N -0.095 121.236 121.223 0.180 0.000 2.607 18 L HA 0.060 4.398 4.340 -0.004 0.000 0.228 18 L C 1.449 178.468 176.870 0.248 0.000 1.123 18 L CA -0.014 54.974 54.840 0.245 0.000 0.890 18 L CB -0.031 42.080 42.059 0.087 0.000 1.103 18 L HN 0.045 nan 8.230 nan 0.000 0.468 19 D N 1.865 122.354 120.400 0.149 0.000 2.158 19 D HA -0.262 4.376 4.640 -0.004 0.000 0.197 19 D C 2.111 178.462 176.300 0.084 0.000 0.995 19 D CA 1.631 55.697 54.000 0.109 0.000 0.846 19 D CB 0.214 41.058 40.800 0.073 0.000 0.941 19 D HN 0.387 nan 8.370 nan 0.000 0.456 20 K N -1.176 119.248 120.400 0.041 0.000 2.209 20 K HA -0.190 4.127 4.320 -0.004 0.000 0.204 20 K C 1.675 178.192 176.600 -0.138 0.000 1.048 20 K CA 1.182 57.416 56.287 -0.088 0.000 0.940 20 K CB -0.502 31.879 32.500 -0.199 0.000 0.729 20 K HN 0.291 nan 8.250 nan 0.000 0.451 21 Y N 1.181 121.481 120.300 -0.001 0.000 2.301 21 Y HA 0.100 4.648 4.550 -0.004 0.000 0.295 21 Y C 2.161 178.064 175.900 0.005 0.000 1.119 21 Y CA 0.497 58.595 58.100 -0.004 0.000 1.162 21 Y CB -0.047 38.403 38.460 -0.016 0.000 1.046 21 Y HN -0.130 nan 8.280 nan 0.000 0.538 22 L N -0.608 120.734 121.223 0.197 0.000 2.095 22 L HA -0.102 4.235 4.340 -0.004 0.000 0.204 22 L C 0.220 177.139 176.870 0.083 0.000 1.080 22 L CA 0.567 55.481 54.840 0.124 0.000 0.759 22 L CB -0.526 41.611 42.059 0.129 0.000 0.914 22 L HN 0.240 nan 8.230 nan 0.000 0.439 23 N N 1.121 119.866 118.700 0.076 0.000 2.686 23 N HA -0.220 4.518 4.740 -0.004 0.000 0.261 23 N C 0.711 176.246 175.510 0.042 0.000 1.001 23 N CA 0.462 53.541 53.050 0.049 0.000 0.764 23 N CB -1.141 37.364 38.487 0.030 0.000 0.898 23 N HN 0.357 nan 8.380 nan 0.000 0.544 24 L N -0.454 120.804 121.223 0.059 0.000 2.465 24 L HA -0.054 4.283 4.340 -0.004 0.000 0.224 24 L C 1.781 178.651 176.870 0.000 0.000 1.145 24 L CA 1.015 55.874 54.840 0.031 0.000 0.834 24 L CB -0.543 41.556 42.059 0.066 0.000 0.944 24 L HN 0.669 nan 8.230 nan 0.000 0.451 25 G N 0.544 109.351 108.800 0.011 0.000 2.645 25 G HA2 -0.261 3.697 3.960 -0.004 0.000 0.246 25 G HA3 -0.261 3.697 3.960 -0.004 0.000 0.246 25 G C -0.134 174.755 174.900 -0.017 0.000 1.322 25 G CA -0.504 44.595 45.100 -0.002 0.000 0.898 25 G HN 0.245 nan 8.290 nan 0.000 0.573 26 E N 0.982 121.166 120.200 -0.026 0.000 2.028 26 E HA 0.376 4.724 4.350 -0.004 0.000 0.275 26 E C 0.847 177.401 176.600 -0.076 0.000 1.171 26 E CA 0.282 56.656 56.400 -0.043 0.000 1.186 26 E CB -0.437 29.241 29.700 -0.037 0.000 1.256 26 E HN 0.728 nan 8.360 nan 0.000 0.474 27 I N -2.812 117.705 120.570 -0.089 0.000 3.002 27 I HA 0.838 5.005 4.170 -0.004 0.000 0.310 27 I C -0.738 175.278 176.117 -0.169 0.000 1.087 27 I CA -1.578 59.656 61.300 -0.111 0.000 1.017 27 I CB 2.298 40.305 38.000 0.012 0.000 1.226 27 I HN -0.005 nan 8.210 nan 0.000 0.443 28 A N 3.532 126.238 122.820 -0.188 0.000 2.287 28 A HA 0.750 5.068 4.320 -0.004 0.000 0.317 28 A C -0.817 176.706 177.584 -0.102 0.000 1.220 28 A CA -0.572 51.375 52.037 -0.149 0.000 0.835 28 A CB 1.231 20.213 19.000 -0.030 0.000 1.180 28 A HN 0.525 nan 8.150 nan 0.000 0.500 29 V N 2.280 122.028 119.914 -0.276 0.000 2.417 29 V HA 0.494 4.612 4.120 -0.004 0.000 0.291 29 V C 0.144 176.216 176.094 -0.036 0.000 1.024 29 V CA -0.392 61.796 62.300 -0.186 0.000 0.861 29 V CB 1.784 33.332 31.823 -0.458 0.000 0.985 29 V HN 0.858 nan 8.190 nan 0.000 0.436 30 S N 5.815 121.560 115.700 0.076 0.000 2.456 30 S HA 0.634 5.102 4.470 -0.004 0.000 0.316 30 S C -0.395 174.292 174.600 0.146 0.000 1.089 30 S CA -0.543 57.724 58.200 0.111 0.000 1.101 30 S CB 0.909 64.156 63.200 0.078 0.000 0.995 30 S HN 0.525 nan 8.310 nan 0.000 0.468 31 L N 4.278 125.610 121.223 0.182 0.000 2.281 31 L HA 0.583 4.921 4.340 -0.004 0.000 0.285 31 L C 0.313 177.243 176.870 0.100 0.000 1.074 31 L CA -0.689 54.266 54.840 0.192 0.000 0.817 31 L CB 0.294 42.515 42.059 0.270 0.000 1.168 31 L HN 0.440 nan 8.230 nan 0.000 0.434 37 T N -2.377 112.171 114.554 -0.010 0.000 2.916 37 T HA 0.613 4.961 4.350 -0.004 0.000 0.292 37 T C 0.905 175.615 174.700 0.017 0.000 1.064 37 T CA 0.513 62.614 62.100 0.002 0.000 1.011 37 T CB 1.636 70.511 68.868 0.011 0.000 1.152 37 T HN 0.248 nan 8.240 nan 0.000 0.510 38 S N 0.589 116.308 115.700 0.032 0.000 2.365 38 S HA 0.067 4.535 4.470 -0.004 0.000 0.225 38 S C 0.649 175.314 174.600 0.108 0.000 1.039 38 S CA 0.974 59.215 58.200 0.070 0.000 1.033 38 S CB -0.578 62.672 63.200 0.083 0.000 0.887 38 S HN 0.673 nan 8.310 nan 0.000 0.447 39 I N 0.224 120.858 120.570 0.106 0.000 2.656 39 I HA 0.390 4.558 4.170 -0.004 0.000 0.292 39 I C -0.750 175.406 176.117 0.065 0.000 1.144 39 I CA -0.497 60.857 61.300 0.090 0.000 1.038 39 I CB 2.458 40.502 38.000 0.074 0.000 1.244 39 I HN -0.085 nan 8.210 nan 0.000 0.420 40 K N 5.176 125.611 120.400 0.060 0.000 2.482 40 K HA 0.785 5.103 4.320 -0.004 0.000 0.251 40 K C -1.966 174.672 176.600 0.062 0.000 0.936 40 K CA -0.538 55.780 56.287 0.052 0.000 0.791 40 K CB 2.506 35.030 32.500 0.040 0.000 1.213 40 K HN 0.365 nan 8.250 nan 0.000 0.428 41 V N 4.044 123.995 119.914 0.062 0.000 2.525 41 V HA 0.409 4.527 4.120 -0.004 0.000 0.299 41 V C -1.183 174.975 176.094 0.107 0.000 1.034 41 V CA -0.671 61.678 62.300 0.081 0.000 0.863 41 V CB 1.533 33.384 31.823 0.047 0.000 0.999 41 V HN 0.927 nan 8.190 nan 0.000 0.423 42 E N 3.577 123.864 120.200 0.145 0.000 2.321 42 E HA 0.875 5.222 4.350 -0.004 0.000 0.278 42 E C -0.353 176.356 176.600 0.181 0.000 0.902 42 E CA -0.691 55.797 56.400 0.147 0.000 0.758 42 E CB 2.778 32.526 29.700 0.080 0.000 1.213 42 E HN 0.964 nan 8.360 nan 0.000 0.426 43 G N 1.338 110.236 108.800 0.164 0.000 2.327 43 G HA2 0.489 4.447 3.960 -0.004 0.000 0.291 43 G HA3 0.489 4.447 3.960 -0.004 0.000 0.291 43 G C -1.634 173.185 174.900 -0.134 0.000 1.290 43 G CA -0.414 44.629 45.100 -0.095 0.000 0.857 43 G HN 0.877 nan 8.290 nan 0.000 0.520 44 R N -1.611 118.623 120.500 -0.442 0.000 2.774 44 R HA 0.538 4.876 4.340 -0.004 0.000 0.279 44 R C -0.503 175.667 176.300 -0.217 0.000 1.022 44 R CA -0.405 55.585 56.100 -0.183 0.000 0.855 44 R CB 0.149 30.433 30.300 -0.027 0.000 1.279 44 R HN 0.855 nan 8.270 nan 0.000 0.485 45 Q N -0.249 119.516 119.800 -0.058 0.000 2.457 45 Q HA -0.247 4.091 4.340 -0.004 0.000 0.283 45 Q C 0.666 176.575 176.000 -0.152 0.000 1.234 45 Q CA 1.376 57.163 55.803 -0.027 0.000 0.877 45 Q CB -1.698 27.067 28.738 0.045 0.000 1.250 45 Q HN 1.288 nan 8.270 nan 0.000 0.481 46 G N -1.974 106.680 108.800 -0.244 0.000 2.175 46 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.244 46 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.244 46 G C -0.474 173.985 174.900 -0.735 0.000 0.982 46 G CA 0.218 45.079 45.100 -0.398 0.000 0.641 46 G HN 0.364 nan 8.290 nan 0.000 0.527 47 Y N -0.461 119.547 120.300 -0.487 0.000 2.338 47 Y HA 0.722 5.270 4.550 -0.004 0.000 0.333 47 Y C -0.190 175.247 175.900 -0.771 0.000 0.968 47 Y CA -1.293 56.560 58.100 -0.412 0.000 1.123 47 Y CB 1.434 39.739 38.460 -0.257 0.000 1.165 47 Y HN 0.153 nan 8.280 nan 0.000 0.452 48 Y N 1.080 121.421 120.300 0.069 0.000 2.477 48 Y HA 0.438 4.986 4.550 -0.004 0.000 0.347 48 Y C -0.453 175.469 175.900 0.036 0.000 0.981 48 Y CA -1.219 56.903 58.100 0.036 0.000 1.033 48 Y CB 2.362 40.819 38.460 -0.005 0.000 1.245 48 Y HN 0.477 nan 8.280 nan 0.000 0.455 49 Q N 2.935 122.837 119.800 0.171 0.000 2.322 49 Q HA 0.722 5.060 4.340 -0.004 0.000 0.265 49 Q C -1.619 174.460 176.000 0.132 0.000 0.985 49 Q CA -1.004 54.871 55.803 0.120 0.000 0.849 49 Q CB 1.785 30.566 28.738 0.072 0.000 1.274 49 Q HN 0.665 nan 8.270 nan 0.000 0.449 50 V N 1.074 121.070 119.914 0.137 0.000 2.555 50 V HA 0.931 5.049 4.120 -0.004 0.000 0.302 50 V C -0.687 175.500 176.094 0.154 0.000 1.038 50 V CA -0.362 62.024 62.300 0.143 0.000 0.887 50 V CB 1.511 33.427 31.823 0.156 0.000 0.991 50 V HN 0.830 nan 8.190 nan 0.000 0.434 51 S N 3.711 119.492 115.700 0.135 0.000 2.595 51 S HA 0.943 5.411 4.470 -0.004 0.000 0.281 51 S C -1.105 173.582 174.600 0.145 0.000 1.117 51 S CA -0.724 57.517 58.200 0.069 0.000 0.873 51 S CB 1.915 65.091 63.200 -0.041 0.000 1.108 51 S HN 1.797 nan 8.310 nan 0.000 0.477 52 Y N -1.272 119.004 120.300 -0.039 0.000 2.571 52 Y HA 0.658 5.206 4.550 -0.004 0.000 0.341 52 Y C 0.467 176.338 175.900 -0.048 0.000 1.076 52 Y CA -1.141 56.923 58.100 -0.059 0.000 1.029 52 Y CB 1.527 39.919 38.460 -0.114 0.000 1.308 52 Y HN 0.731 nan 8.280 nan 0.000 0.461 53 K N 0.645 121.071 120.400 0.044 0.000 2.063 53 K HA 0.173 4.491 4.320 -0.004 0.000 0.204 53 K C -0.217 176.409 176.600 0.043 0.000 1.039 53 K CA 0.733 57.017 56.287 -0.004 0.000 0.957 53 K CB 0.210 32.716 32.500 0.011 0.000 0.764 53 K HN 0.861 nan 8.250 nan 0.000 0.447 54 Q N 0.403 120.246 119.800 0.071 0.000 2.230 54 Q HA 0.153 4.491 4.340 -0.004 0.000 0.253 54 Q C -2.174 173.905 176.000 0.131 0.000 0.919 54 Q CA -2.137 53.721 55.803 0.091 0.000 0.908 54 Q CB 1.603 30.392 28.738 0.085 0.000 1.245 54 Q HN 0.045 nan 8.270 nan 0.000 0.437 55 P HA -0.245 nan 4.420 nan 0.000 0.216 55 P C 0.763 178.021 177.300 -0.070 0.000 1.150 55 P CA 1.644 64.837 63.100 0.156 0.000 0.843 55 P CB 0.032 31.832 31.700 0.168 0.000 0.787 56 H N -0.984 118.130 119.070 0.075 0.000 2.489 56 H HA -0.049 4.505 4.556 -0.004 0.000 0.293 56 H C 1.634 176.959 175.328 -0.006 0.000 1.066 56 H CA 1.058 57.183 56.048 0.129 0.000 1.305 56 H CB -1.295 28.600 29.762 0.221 0.000 1.386 56 H HN 0.186 nan 8.280 nan 0.000 0.551 57 Q N 0.048 119.476 119.800 -0.621 0.000 2.437 57 Q HA -0.037 4.300 4.340 -0.004 0.000 0.210 57 Q C 1.886 177.653 176.000 -0.389 0.000 0.972 57 Q CA 0.651 56.209 55.803 -0.409 0.000 0.903 57 Q CB -0.024 28.578 28.738 -0.227 0.000 0.967 57 Q HN 0.444 nan 8.270 nan 0.000 0.486 58 L N -0.312 120.437 121.223 -0.789 0.000 2.081 58 L HA -0.228 4.110 4.340 -0.004 0.000 0.212 58 L C 1.469 177.927 176.870 -0.688 0.000 1.080 58 L CA 1.897 56.114 54.840 -1.038 0.000 0.754 58 L CB -0.419 40.672 42.059 -1.614 0.000 0.893 58 L HN 0.173 nan 8.230 nan 0.000 0.433 59 Y N -0.733 119.461 120.300 -0.176 0.000 2.286 59 Y HA -0.045 4.503 4.550 -0.004 0.000 0.293 59 Y C 2.828 178.645 175.900 -0.139 0.000 1.124 59 Y CA 1.312 59.343 58.100 -0.116 0.000 1.178 59 Y CB -0.722 37.699 38.460 -0.064 0.000 1.010 59 Y HN 0.181 nan 8.280 nan 0.000 0.536 60 R N 0.616 121.068 120.500 -0.081 0.000 2.075 60 R HA -0.118 4.220 4.340 -0.004 0.000 0.232 60 R C 2.357 178.534 176.300 -0.205 0.000 1.126 60 R CA 1.157 57.142 56.100 -0.191 0.000 0.963 60 R CB -0.399 29.690 30.300 -0.352 0.000 0.858 60 R HN 0.289 nan 8.270 nan 0.000 0.435 61 A N 1.286 124.000 122.820 -0.177 0.000 1.883 61 A HA -0.171 4.147 4.320 -0.004 0.000 0.217 61 A C 2.197 179.728 177.584 -0.088 0.000 1.186 61 A CA 1.452 53.419 52.037 -0.116 0.000 0.624 61 A CB -0.644 18.318 19.000 -0.064 0.000 0.822 61 A HN 0.362 nan 8.150 nan 0.000 0.444 62 L N -0.998 120.184 121.223 -0.068 0.000 2.093 62 L HA -0.155 4.183 4.340 -0.004 0.000 0.208 62 L C 3.102 179.958 176.870 -0.024 0.000 1.085 62 L CA 0.858 55.697 54.840 -0.002 0.000 0.755 62 L CB -0.594 41.508 42.059 0.071 0.000 0.904 62 L HN 0.452 nan 8.230 nan 0.000 0.435 63 A N 0.147 122.934 122.820 -0.056 0.000 1.908 63 A HA -0.212 4.106 4.320 -0.004 0.000 0.218 63 A C 2.131 179.640 177.584 -0.125 0.000 1.181 63 A CA 1.615 53.603 52.037 -0.080 0.000 0.627 63 A CB -0.567 18.363 19.000 -0.117 0.000 0.818 63 A HN 0.254 nan 8.150 nan 0.000 0.445 64 L N -1.050 120.051 121.223 -0.204 0.000 2.046 64 L HA -0.122 4.216 4.340 -0.004 0.000 0.208 64 L C 2.403 179.210 176.870 -0.104 0.000 1.077 64 L CA 1.635 56.337 54.840 -0.231 0.000 0.747 64 L CB -1.233 40.669 42.059 -0.261 0.000 0.896 64 L HN 0.460 nan 8.230 nan 0.000 0.432 65 L N -1.052 120.110 121.223 -0.102 0.000 1.989 65 L HA -0.219 4.119 4.340 -0.004 0.000 0.211 65 L C 2.751 179.541 176.870 -0.135 0.000 1.071 65 L CA 2.095 56.849 54.840 -0.142 0.000 0.749 65 L CB -1.096 40.874 42.059 -0.148 0.000 0.890 65 L HN 0.319 nan 8.230 nan 0.000 0.431 66 S N -0.905 114.750 115.700 -0.075 0.000 2.359 66 S HA -0.218 4.250 4.470 -0.004 0.000 0.224 66 S C 2.123 176.713 174.600 -0.017 0.000 1.035 66 S CA 1.463 59.640 58.200 -0.038 0.000 1.018 66 S CB -0.544 62.660 63.200 0.007 0.000 0.876 66 S HN 0.684 nan 8.310 nan 0.000 0.448 67 A N 1.151 123.974 122.820 0.006 0.000 1.930 67 A HA 0.245 4.562 4.320 -0.004 0.000 0.217 67 A C 2.450 180.061 177.584 0.046 0.000 1.175 67 A CA 1.805 53.879 52.037 0.060 0.000 0.627 67 A CB -1.325 17.766 19.000 0.151 0.000 0.815 67 A HN 0.742 nan 8.150 nan 0.000 0.443 68 A N -0.022 122.808 122.820 0.017 0.000 1.858 68 A HA -0.058 4.260 4.320 -0.004 0.000 0.216 68 A C 2.166 179.737 177.584 -0.022 0.000 1.190 68 A CA 1.544 53.582 52.037 0.002 0.000 0.617 68 A CB -0.688 18.299 19.000 -0.021 0.000 0.827 68 A HN 0.468 nan 8.150 nan 0.000 0.443 69 L N -1.207 119.975 121.223 -0.069 0.000 2.083 69 L HA -0.163 4.175 4.340 -0.004 0.000 0.209 69 L C 2.779 179.638 176.870 -0.019 0.000 1.083 69 L CA 1.745 56.547 54.840 -0.064 0.000 0.752 69 L CB -0.470 41.518 42.059 -0.119 0.000 0.899 69 L HN 0.446 nan 8.230 nan 0.000 0.433 70 R N 0.396 120.892 120.500 -0.007 0.000 2.120 70 R HA -0.154 4.184 4.340 -0.004 0.000 0.234 70 R C 2.460 178.773 176.300 0.021 0.000 1.123 70 R CA 1.539 57.646 56.100 0.013 0.000 0.975 70 R CB -0.105 30.211 30.300 0.027 0.000 0.866 70 R HN 0.445 nan 8.270 nan 0.000 0.446 71 S N -1.482 114.232 115.700 0.023 0.000 2.515 71 S HA 0.086 4.554 4.470 -0.004 0.000 0.231 71 S C 1.293 175.905 174.600 0.020 0.000 0.987 71 S CA 0.614 58.829 58.200 0.025 0.000 0.936 71 S CB 0.443 63.658 63.200 0.026 0.000 0.766 71 S HN 0.594 nan 8.310 nan 0.000 0.528 72 G N 0.197 109.007 108.800 0.016 0.000 2.163 72 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.213 72 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.213 72 G C -0.240 174.674 174.900 0.023 0.000 0.991 72 G CA -0.179 44.931 45.100 0.018 0.000 0.653 72 G HN 0.590 nan 8.290 nan 0.000 0.518 73 Q N 0.217 120.031 119.800 0.023 0.000 2.332 73 Q HA 0.348 4.685 4.340 -0.004 0.000 0.263 73 Q C 0.813 176.847 176.000 0.056 0.000 0.979 73 Q CA 0.235 56.060 55.803 0.036 0.000 0.885 73 Q CB 1.318 30.077 28.738 0.035 0.000 1.218 73 Q HN 0.361 nan 8.270 nan 0.000 0.405 74 D N 1.818 122.266 120.400 0.080 0.000 2.566 74 D HA -0.081 4.557 4.640 -0.004 0.000 0.253 74 D C -0.194 176.223 176.300 0.195 0.000 0.992 74 D CA 0.351 54.430 54.000 0.131 0.000 0.940 74 D CB 0.635 41.489 40.800 0.090 0.000 1.095 74 D HN 0.542 nan 8.370 nan 0.000 0.480 75 E N 0.916 121.193 120.200 0.129 0.000 2.257 75 E HA 0.245 4.593 4.350 -0.004 0.000 0.278 75 E C -1.147 175.540 176.600 0.146 0.000 1.049 75 E CA -0.141 56.338 56.400 0.131 0.000 0.876 75 E CB 1.133 30.877 29.700 0.074 0.000 1.035 75 E HN -0.167 nan 8.360 nan 0.000 0.419 76 V N 5.573 125.611 119.914 0.206 0.000 2.540 76 V HA 0.358 4.476 4.120 -0.004 0.000 0.302 76 V C -0.602 175.572 176.094 0.132 0.000 1.035 76 V CA -0.691 61.703 62.300 0.157 0.000 0.873 76 V CB 1.738 33.653 31.823 0.153 0.000 0.992 76 V HN 0.742 nan 8.190 nan 0.000 0.428 77 Q N 5.051 124.904 119.800 0.087 0.000 2.589 77 Q HA 0.592 4.930 4.340 -0.004 0.000 0.245 77 Q C -1.424 174.611 176.000 0.059 0.000 0.931 77 Q CA -0.131 55.714 55.803 0.070 0.000 0.730 77 Q CB 2.352 31.123 28.738 0.055 0.000 1.315 77 Q HN 0.677 nan 8.270 nan 0.000 0.469 78 I N 1.259 121.865 120.570 0.060 0.000 2.498 78 I HA 0.437 4.605 4.170 -0.004 0.000 0.290 78 I C -0.596 175.551 176.117 0.050 0.000 1.032 78 I CA -0.522 60.810 61.300 0.054 0.000 1.073 78 I CB 2.222 40.251 38.000 0.049 0.000 1.251 78 I HN 0.437 nan 8.210 nan 0.000 0.426 79 E N 5.847 126.077 120.200 0.050 0.000 2.287 79 E HA 0.409 4.757 4.350 -0.004 0.000 0.274 79 E C -1.573 175.062 176.600 0.058 0.000 0.896 79 E CA -0.520 55.909 56.400 0.048 0.000 0.788 79 E CB 1.656 31.377 29.700 0.035 0.000 1.244 79 E HN 0.549 nan 8.360 nan 0.000 0.408 80 E N 2.943 123.189 120.200 0.076 0.000 2.248 80 E HA 0.312 4.660 4.350 -0.004 0.000 0.267 80 E C -1.284 175.365 176.600 0.081 0.000 0.877 80 E CA -0.893 55.570 56.400 0.105 0.000 0.759 80 E CB 2.058 31.876 29.700 0.196 0.000 1.182 80 E HN 0.302 nan 8.360 nan 0.000 0.418 81 E N 1.370 121.590 120.200 0.033 0.000 2.149 81 E HA 0.373 4.720 4.350 -0.004 0.000 0.255 81 E C -0.966 175.573 176.600 -0.102 0.000 0.888 81 E CA -0.431 55.954 56.400 -0.025 0.000 0.742 81 E CB 1.605 31.285 29.700 -0.035 0.000 1.164 81 E HN 0.534 nan 8.360 nan 0.000 0.422 82 A N 2.053 124.757 122.820 -0.193 0.000 2.425 82 A HA 0.476 4.794 4.320 -0.004 0.000 0.249 82 A C 1.237 178.602 177.584 -0.365 0.000 1.084 82 A CA 0.324 52.115 52.037 -0.410 0.000 0.781 82 A CB 0.594 19.148 19.000 -0.743 0.000 1.019 82 A HN 0.751 nan 8.150 nan 0.000 0.490 83 A N 1.743 124.245 122.820 -0.530 0.000 2.067 83 A HA 0.273 4.590 4.320 -0.004 0.000 0.217 83 A C 0.249 177.406 177.584 -0.712 0.000 1.156 83 A CA 0.801 52.407 52.037 -0.718 0.000 0.683 83 A CB -0.181 18.160 19.000 -1.098 0.000 0.808 83 A HN 0.754 nan 8.150 nan 0.000 0.455 84 Y N -0.996 119.247 120.300 -0.095 0.000 2.376 84 Y HA 0.390 4.938 4.550 -0.004 0.000 0.340 84 Y C 0.853 176.723 175.900 -0.051 0.000 0.965 84 Y CA -0.910 57.159 58.100 -0.051 0.000 1.078 84 Y CB 1.553 39.994 38.460 -0.031 0.000 1.193 84 Y HN 0.158 nan 8.280 nan 0.000 0.452 85 E N 1.020 121.302 120.200 0.137 0.000 2.110 85 E HA -0.123 4.225 4.350 -0.004 0.000 0.193 85 E C -0.434 176.246 176.600 0.133 0.000 0.988 85 E CA 1.147 57.610 56.400 0.105 0.000 0.804 85 E CB 0.245 30.001 29.700 0.093 0.000 0.745 85 E HN 0.542 nan 8.360 nan 0.000 0.458 86 D N -0.312 120.166 120.400 0.130 0.000 2.646 86 D HA 0.334 4.972 4.640 -0.004 0.000 0.245 86 D C -1.333 175.012 176.300 0.075 0.000 1.099 86 D CA -0.560 53.499 54.000 0.100 0.000 0.849 86 D CB 2.401 43.242 40.800 0.069 0.000 1.448 86 D HN -0.119 nan 8.370 nan 0.000 0.489 87 L N 1.869 123.128 121.223 0.060 0.000 2.404 87 L HA 0.679 5.017 4.340 -0.004 0.000 0.272 87 L C -1.400 175.560 176.870 0.151 0.000 0.980 87 L CA -0.398 54.444 54.840 0.003 0.000 0.836 87 L CB 1.449 43.448 42.059 -0.100 0.000 1.238 87 L HN 0.455 nan 8.230 nan 0.000 0.408 88 A N 3.924 126.867 122.820 0.205 0.000 2.356 88 A HA 0.731 5.049 4.320 -0.004 0.000 0.323 88 A C -2.010 175.804 177.584 0.384 0.000 1.119 88 A CA -0.471 51.735 52.037 0.282 0.000 0.790 88 A CB 1.168 20.205 19.000 0.062 0.000 1.273 88 A HN 0.676 nan 8.150 nan 0.000 0.452 89 Y N 1.690 122.065 120.300 0.126 0.000 2.341 89 Y HA 0.618 5.166 4.550 -0.004 0.000 0.338 89 Y C -0.471 175.379 175.900 -0.083 0.000 0.965 89 Y CA -1.161 56.911 58.100 -0.047 0.000 1.108 89 Y CB 1.666 39.981 38.460 -0.241 0.000 1.180 89 Y HN 0.681 nan 8.280 nan 0.000 0.458 90 M N 6.487 125.528 119.600 -0.932 0.000 2.114 90 M HA 0.711 5.189 4.480 -0.004 0.000 0.332 90 M C -1.265 174.286 176.300 -1.248 0.000 1.014 90 M CA -0.633 54.109 55.300 -0.930 0.000 0.956 90 M CB 0.698 32.904 32.600 -0.656 0.000 1.551 90 M HN 0.893 nan 8.290 nan 0.000 0.427 91 A N 3.686 125.932 122.820 -0.956 0.000 2.309 91 A HA 0.335 4.653 4.320 -0.004 0.000 0.298 91 A C -0.581 176.805 177.584 -0.330 0.000 1.165 91 A CA -0.540 51.167 52.037 -0.550 0.000 0.821 91 A CB 0.463 19.349 19.000 -0.189 0.000 1.102 91 A HN 0.786 nan 8.150 nan 0.000 0.500 92 D N 1.426 121.699 120.400 -0.212 0.000 2.343 92 D HA 0.227 4.865 4.640 -0.004 0.000 0.255 92 D C -0.061 176.270 176.300 0.052 0.000 1.187 92 D CA -0.037 53.955 54.000 -0.012 0.000 0.875 92 D CB 0.669 41.499 40.800 0.049 0.000 1.136 92 D HN 0.358 nan 8.370 nan 0.000 0.469 93 C N 2.628 121.987 119.300 0.097 0.000 2.863 93 C HA 0.249 4.707 4.460 -0.004 0.000 0.284 93 C C 1.491 176.506 174.990 0.042 0.000 1.426 93 C CA -0.366 58.693 59.018 0.069 0.000 1.782 93 C CB -0.853 26.969 27.740 0.136 0.000 2.554 93 C HN 0.528 nan 8.230 nan 0.000 0.566 94 S N 0.104 115.861 115.700 0.095 0.000 2.632 94 S HA 0.090 4.558 4.470 -0.004 0.000 0.237 94 S C 1.386 176.042 174.600 0.095 0.000 1.037 94 S CA -0.060 58.170 58.200 0.051 0.000 1.009 94 S CB 0.163 63.360 63.200 -0.005 0.000 0.974 94 S HN 0.372 nan 8.310 nan 0.000 0.544 95 R N 2.131 122.709 120.500 0.131 0.000 2.426 95 R HA 0.395 4.733 4.340 -0.004 0.000 0.263 95 R C 0.284 176.671 176.300 0.145 0.000 0.961 95 R CA -0.050 56.126 56.100 0.126 0.000 1.086 95 R CB -0.976 29.405 30.300 0.135 0.000 1.186 95 R HN 0.486 nan 8.270 nan 0.000 0.537 96 N N -2.965 115.830 118.700 0.158 0.000 2.996 96 N HA -0.137 4.601 4.740 -0.004 0.000 0.164 96 N C -0.526 175.202 175.510 0.362 0.000 1.350 96 N CA 0.513 53.713 53.050 0.249 0.000 1.333 96 N CB -0.825 37.825 38.487 0.271 0.000 1.033 96 N HN 0.173 nan 8.380 nan 0.000 0.627 97 A N 1.742 124.668 122.820 0.177 0.000 2.294 97 A HA 0.601 4.919 4.320 -0.004 0.000 0.316 97 A C 0.012 177.525 177.584 -0.118 0.000 1.359 97 A CA -0.110 51.821 52.037 -0.178 0.000 0.956 97 A CB 0.529 19.313 19.000 -0.360 0.000 1.155 97 A HN 0.042 nan 8.150 nan 0.000 0.544 98 V N 4.594 124.435 119.914 -0.121 0.000 2.333 98 V HA 0.153 4.271 4.120 -0.004 0.000 0.274 98 V C 0.191 176.234 176.094 -0.085 0.000 1.028 98 V CA -0.586 61.644 62.300 -0.117 0.000 0.851 98 V CB 0.930 32.618 31.823 -0.225 0.000 1.000 98 V HN 0.827 nan 8.190 nan 0.000 0.456 99 L N 6.569 127.814 121.223 0.038 0.000 2.559 99 L HA 0.124 4.461 4.340 -0.004 0.000 0.274 99 L C 0.716 177.684 176.870 0.163 0.000 1.205 99 L CA 0.440 55.332 54.840 0.086 0.000 0.907 99 L CB 0.145 42.306 42.059 0.170 0.000 1.153 99 L HN 0.915 nan 8.230 nan 0.000 0.490 100 N N 4.073 122.826 118.700 0.087 0.000 2.354 100 N HA 0.067 4.804 4.740 -0.004 0.000 0.246 100 N C 0.839 176.424 175.510 0.124 0.000 1.285 100 N CA -0.276 52.839 53.050 0.107 0.000 0.925 100 N CB 0.359 38.874 38.487 0.046 0.000 1.174 100 N HN 0.630 nan 8.380 nan 0.000 0.478 101 L N -0.691 120.590 121.223 0.097 0.000 2.046 101 L HA -0.163 4.175 4.340 -0.004 0.000 0.208 101 L C 2.450 179.311 176.870 -0.016 0.000 1.077 101 L CA 1.454 56.319 54.840 0.042 0.000 0.747 101 L CB -0.604 41.462 42.059 0.011 0.000 0.896 101 L HN 0.759 nan 8.230 nan 0.000 0.432 102 S N -0.782 114.910 115.700 -0.012 0.000 2.368 102 S HA -0.178 4.290 4.470 -0.004 0.000 0.225 102 S C 2.161 176.771 174.600 0.018 0.000 1.030 102 S CA 1.847 60.024 58.200 -0.037 0.000 0.999 102 S CB -0.039 63.141 63.200 -0.034 0.000 0.844 102 S HN 0.410 nan 8.310 nan 0.000 0.459 103 S N 1.156 116.918 115.700 0.103 0.000 2.406 103 S HA 0.155 4.623 4.470 -0.004 0.000 0.228 103 S C 2.203 176.945 174.600 0.237 0.000 1.020 103 S CA 0.796 59.163 58.200 0.278 0.000 0.965 103 S CB -0.539 62.867 63.200 0.343 0.000 0.798 103 S HN 0.673 nan 8.310 nan 0.000 0.488 104 A N 2.193 125.091 122.820 0.130 0.000 1.908 104 A HA -0.176 4.142 4.320 -0.004 0.000 0.218 104 A C 2.041 179.584 177.584 -0.068 0.000 1.181 104 A CA 1.591 53.680 52.037 0.087 0.000 0.627 104 A CB -0.448 18.650 19.000 0.163 0.000 0.818 104 A HN 0.455 nan 8.150 nan 0.000 0.445 105 K N -0.444 119.883 120.400 -0.122 0.000 2.057 105 K HA -0.146 4.172 4.320 -0.004 0.000 0.206 105 K C 2.229 178.815 176.600 -0.024 0.000 1.050 105 K CA 1.539 57.661 56.287 -0.275 0.000 0.935 105 K CB -0.161 31.916 32.500 -0.704 0.000 0.715 105 K HN 0.517 nan 8.250 nan 0.000 0.439 106 K N 0.922 121.349 120.400 0.045 0.000 2.032 106 K HA -0.202 4.116 4.320 -0.004 0.000 0.209 106 K C 2.263 178.964 176.600 0.169 0.000 1.048 106 K CA 1.581 57.956 56.287 0.146 0.000 0.927 106 K CB -0.081 32.509 32.500 0.150 0.000 0.712 106 K HN -0.033 nan 8.250 nan 0.000 0.441 107 M N 1.277 120.993 119.600 0.193 0.000 2.108 107 M HA -0.134 4.344 4.480 -0.004 0.000 0.261 107 M C 1.712 177.859 176.300 -0.256 0.000 1.066 107 M CA 1.537 56.846 55.300 0.014 0.000 1.107 107 M CB -0.221 32.285 32.600 -0.156 0.000 1.356 107 M HN 0.258 nan 8.290 nan 0.000 0.406 108 I N -0.099 120.253 120.570 -0.362 0.000 2.163 108 I HA -0.335 3.833 4.170 -0.004 0.000 0.243 108 I C 2.123 178.010 176.117 -0.382 0.000 1.085 108 I CA 1.727 62.816 61.300 -0.353 0.000 1.347 108 I CB -0.548 37.385 38.000 -0.112 0.000 1.044 108 I HN 0.393 nan 8.210 nan 0.000 0.408 109 E N 0.096 120.099 120.200 -0.327 0.000 2.058 109 E HA -0.213 4.135 4.350 -0.004 0.000 0.194 109 E C 2.287 178.540 176.600 -0.578 0.000 0.997 109 E CA 1.644 57.700 56.400 -0.573 0.000 0.801 109 E CB -0.165 29.383 29.700 -0.254 0.000 0.746 109 E HN 0.296 nan 8.360 nan 0.000 0.450 110 V N 1.338 121.038 119.914 -0.356 0.000 2.307 110 V HA -0.242 3.876 4.120 -0.004 0.000 0.245 110 V C 2.305 178.266 176.094 -0.221 0.000 1.045 110 V CA 1.443 63.569 62.300 -0.291 0.000 1.024 110 V CB -0.445 31.328 31.823 -0.082 0.000 0.651 110 V HN 0.265 nan 8.190 nan 0.000 0.449 111 L N 0.131 121.226 121.223 -0.213 0.000 2.079 111 L HA -0.198 4.139 4.340 -0.004 0.000 0.210 111 L C 2.742 179.625 176.870 0.021 0.000 1.081 111 L CA 1.575 56.351 54.840 -0.107 0.000 0.752 111 L CB -0.845 41.106 42.059 -0.178 0.000 0.896 111 L HN 0.378 nan 8.230 nan 0.000 0.433 112 A N 0.314 123.036 122.820 -0.164 0.000 1.883 112 A HA -0.184 4.134 4.320 -0.004 0.000 0.217 112 A C 2.238 179.803 177.584 -0.030 0.000 1.186 112 A CA 1.554 53.522 52.037 -0.115 0.000 0.624 112 A CB -0.750 17.937 19.000 -0.521 0.000 0.822 112 A HN 0.369 nan 8.150 nan 0.000 0.444 113 L N -1.218 119.902 121.223 -0.172 0.000 2.131 113 L HA -0.167 4.170 4.340 -0.004 0.000 0.210 113 L C 2.753 179.577 176.870 -0.075 0.000 1.092 113 L CA 1.310 56.068 54.840 -0.138 0.000 0.759 113 L CB -0.421 41.485 42.059 -0.255 0.000 0.903 113 L HN 0.418 nan 8.230 nan 0.000 0.435 114 M N -1.196 118.407 119.600 0.006 0.000 2.419 114 M HA 0.034 4.512 4.480 -0.004 0.000 0.264 114 M C 1.433 177.749 176.300 0.028 0.000 1.082 114 M CA 1.230 56.585 55.300 0.091 0.000 1.119 114 M CB 0.025 32.804 32.600 0.298 0.000 1.398 114 M HN 0.463 nan 8.290 nan 0.000 0.453 115 G N -0.709 108.145 108.800 0.091 0.000 2.175 115 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.182 115 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.182 115 G C -0.375 174.742 174.900 0.362 0.000 1.003 115 G CA -0.747 44.409 45.100 0.093 0.000 0.666 115 G HN 0.329 nan 8.290 nan 0.000 0.506 116 Y N 1.723 122.162 120.300 0.231 0.000 2.497 116 Y HA 0.342 4.890 4.550 -0.004 0.000 0.334 116 Y C 1.994 177.864 175.900 -0.049 0.000 1.199 116 Y CA 0.732 58.932 58.100 0.167 0.000 1.425 116 Y CB 1.355 39.893 38.460 0.131 0.000 1.291 116 Y HN 0.256 nan 8.280 nan 0.000 0.562 117 S N -0.381 115.266 115.700 -0.090 0.000 2.478 117 S HA 0.125 4.593 4.470 -0.004 0.000 0.222 117 S C 0.369 174.897 174.600 -0.119 0.000 1.008 117 S CA 0.394 58.276 58.200 -0.529 0.000 0.928 117 S CB 0.025 63.054 63.200 -0.284 0.000 0.781 117 S HN 0.589 nan 8.310 nan 0.000 0.518 118 T N 1.813 116.423 114.554 0.093 0.000 2.952 118 T HA 0.554 4.902 4.350 -0.004 0.000 0.305 118 T C -1.841 173.016 174.700 0.262 0.000 1.064 118 T CA -0.472 61.716 62.100 0.147 0.000 1.008 118 T CB 1.598 70.512 68.868 0.077 0.000 1.078 118 T HN 0.223 nan 8.240 nan 0.000 0.459 119 F N 2.735 122.739 119.950 0.090 0.000 2.469 119 F HA 0.647 5.172 4.527 -0.004 0.000 0.332 119 F C -0.205 175.558 175.800 -0.062 0.000 1.103 119 F CA -1.194 56.853 58.000 0.078 0.000 0.979 119 F CB 1.137 40.251 39.000 0.191 0.000 1.137 119 F HN 0.543 nan 8.300 nan 0.000 0.463 120 E N 6.158 125.959 120.200 -0.665 0.000 2.340 120 E HA 0.519 4.867 4.350 -0.004 0.000 0.273 120 E C -1.584 174.468 176.600 -0.912 0.000 0.891 120 E CA -0.930 54.998 56.400 -0.786 0.000 0.757 120 E CB 3.050 32.442 29.700 -0.514 0.000 1.231 120 E HN 0.510 nan 8.360 nan 0.000 0.439 121 L N 2.358 123.159 121.223 -0.703 0.000 2.356 121 L HA 0.398 4.736 4.340 -0.004 0.000 0.277 121 L C -1.063 175.665 176.870 -0.236 0.000 0.996 121 L CA -1.063 53.523 54.840 -0.423 0.000 0.822 121 L CB 1.340 43.249 42.059 -0.249 0.000 1.256 121 L HN 0.586 nan 8.230 nan 0.000 0.413 122 Y N 4.805 124.946 120.300 -0.266 0.000 2.425 122 Y HA 0.505 5.053 4.550 -0.004 0.000 0.347 122 Y C -0.434 175.453 175.900 -0.021 0.000 0.976 122 Y CA -0.387 57.623 58.100 -0.150 0.000 1.190 122 Y CB 0.741 39.084 38.460 -0.194 0.000 1.136 122 Y HN 0.518 nan 8.280 nan 0.000 0.517 123 M N 6.456 125.817 119.600 -0.399 0.000 2.007 123 M HA 0.227 4.705 4.480 -0.004 0.000 0.285 123 M C 0.321 176.493 176.300 -0.212 0.000 0.893 123 M CA -0.191 54.999 55.300 -0.183 0.000 0.925 123 M CB 1.705 34.390 32.600 0.142 0.000 1.568 123 M HN 0.700 nan 8.290 nan 0.000 0.414 124 E N 1.679 121.641 120.200 -0.397 0.000 2.006 124 E HA -0.165 4.183 4.350 -0.004 0.000 0.192 124 E C 0.778 177.225 176.600 -0.254 0.000 0.993 124 E CA 1.519 57.763 56.400 -0.261 0.000 0.808 124 E CB 0.260 29.834 29.700 -0.210 0.000 0.764 124 E HN 0.736 nan 8.360 nan 0.000 0.449 125 D N -0.604 119.508 120.400 -0.479 0.000 2.503 125 D HA -0.031 4.607 4.640 -0.004 0.000 0.218 125 D C 0.353 176.162 176.300 -0.818 0.000 1.183 125 D CA 0.255 53.570 54.000 -1.143 0.000 0.827 125 D CB 0.256 40.484 40.800 -0.953 0.000 1.034 125 D HN 0.039 nan 8.370 nan 0.000 0.510 126 T N -0.670 113.688 114.554 -0.328 0.000 3.268 126 T HA 0.370 4.717 4.350 -0.004 0.000 0.244 126 T C -0.158 174.605 174.700 0.105 0.000 0.915 126 T CA -0.620 61.388 62.100 -0.153 0.000 0.935 126 T CB -1.188 67.607 68.868 -0.123 0.000 1.110 126 T HN 0.276 nan 8.240 nan 0.000 0.573 127 Y N -2.147 118.192 120.300 0.066 0.000 2.655 127 Y HA 0.750 5.298 4.550 -0.004 0.000 0.336 127 Y C -0.907 175.092 175.900 0.165 0.000 1.154 127 Y CA -1.720 56.462 58.100 0.137 0.000 1.055 127 Y CB 1.071 39.611 38.460 0.133 0.000 1.295 127 Y HN -0.002 nan 8.280 nan 0.000 0.465 128 E N 2.125 122.451 120.200 0.211 0.000 2.197 128 E HA 0.544 4.892 4.350 -0.004 0.000 0.281 128 E C -1.107 175.506 176.600 0.022 0.000 0.995 128 E CA -0.583 55.854 56.400 0.062 0.000 0.808 128 E CB 2.112 31.822 29.700 0.016 0.000 1.093 128 E HN 0.537 nan 8.360 nan 0.000 0.394 129 I N 2.058 122.554 120.570 -0.122 0.000 2.433 129 I HA 0.135 4.303 4.170 -0.004 0.000 0.292 129 I C 0.325 176.362 176.117 -0.133 0.000 1.001 129 I CA -0.767 60.415 61.300 -0.197 0.000 1.119 129 I CB 1.788 39.488 38.000 -0.501 0.000 1.289 129 I HN 0.517 nan 8.210 nan 0.000 0.438 130 E N 6.225 126.375 120.200 -0.083 0.000 2.529 130 E HA -0.088 4.260 4.350 -0.004 0.000 0.259 130 E C -0.017 176.548 176.600 -0.059 0.000 0.966 130 E CA 0.271 56.639 56.400 -0.055 0.000 0.937 130 E CB 0.279 29.968 29.700 -0.019 0.000 0.923 130 E HN 0.614 nan 8.360 nan 0.000 0.468 131 N N 3.161 121.832 118.700 -0.048 0.000 2.714 131 N HA -0.178 4.560 4.740 -0.004 0.000 0.250 131 N C -1.151 174.346 175.510 -0.022 0.000 1.117 131 N CA 0.875 53.905 53.050 -0.033 0.000 0.719 131 N CB -0.701 37.778 38.487 -0.013 0.000 1.081 131 N HN 0.539 nan 8.380 nan 0.000 0.557 132 Q N -0.699 119.074 119.800 -0.046 0.000 2.943 132 Q HA 0.250 4.588 4.340 -0.004 0.000 0.327 132 Q C -1.544 174.457 176.000 0.002 0.000 0.937 132 Q CA -1.187 54.619 55.803 0.005 0.000 0.914 132 Q CB 1.178 29.846 28.738 -0.116 0.000 1.339 132 Q HN 0.208 nan 8.270 nan 0.000 0.417 133 P HA -0.135 nan 4.420 nan 0.000 0.222 133 P C 0.589 177.633 177.300 -0.426 0.000 1.147 133 P CA 1.153 64.083 63.100 -0.283 0.000 0.790 133 P CB 0.211 31.649 31.700 -0.436 0.000 0.780 134 Y N -1.996 118.221 120.300 -0.138 0.000 2.523 134 Y HA 0.173 4.721 4.550 -0.003 0.000 0.279 134 Y C 1.157 177.165 175.900 0.180 0.000 1.139 134 Y CA -0.301 57.678 58.100 -0.202 0.000 1.296 134 Y CB -0.507 37.809 38.460 -0.240 0.000 1.045 134 Y HN -0.175 nan 8.280 nan 0.000 0.538 135 F N 1.033 121.050 119.950 0.110 0.000 2.468 135 F HA 0.444 4.968 4.527 -0.004 0.000 0.356 135 F C 1.103 176.811 175.800 -0.152 0.000 1.167 135 F CA 0.251 58.147 58.000 -0.173 0.000 1.135 135 F CB 0.062 38.702 39.000 -0.600 0.000 1.197 135 F HN 0.211 nan 8.300 nan 0.000 0.569 136 G N 4.051 112.699 108.800 -0.253 0.000 2.141 136 G HA2 -0.354 3.603 3.960 -0.004 0.000 0.242 136 G HA3 -0.354 3.603 3.960 -0.004 0.000 0.242 136 G C -0.140 174.718 174.900 -0.069 0.000 0.982 136 G CA -0.057 44.915 45.100 -0.213 0.000 0.662 136 G HN 0.801 nan 8.290 nan 0.000 0.527 137 Y N 0.705 120.933 120.300 -0.121 0.000 2.650 137 Y HA 0.381 4.929 4.550 -0.004 0.000 0.331 137 Y C 1.091 176.994 175.900 0.004 0.000 1.165 137 Y CA 0.079 58.064 58.100 -0.191 0.000 1.473 137 Y CB -0.398 37.864 38.460 -0.329 0.000 1.224 137 Y HN 0.617 nan 8.280 nan 0.000 0.533 138 F N 3.710 123.357 119.950 -0.505 0.000 3.034 138 F HA -0.326 4.198 4.527 -0.004 0.000 0.286 138 F C 1.069 176.618 175.800 -0.418 0.000 0.804 138 F CA 1.076 58.734 58.000 -0.570 0.000 1.161 138 F CB -0.777 37.904 39.000 -0.532 0.000 1.317 138 F HN 0.641 nan 8.300 nan 0.000 0.453 139 R N 0.005 120.343 120.500 -0.270 0.000 2.334 139 R HA 0.365 4.703 4.340 -0.004 0.000 0.212 139 R C 1.721 177.911 176.300 -0.184 0.000 0.897 139 R CA 0.751 56.777 56.100 -0.124 0.000 1.056 139 R CB 0.262 30.510 30.300 -0.086 0.000 1.046 139 R HN 0.445 nan 8.270 nan 0.000 0.513 140 G N 3.179 111.647 108.800 -0.553 0.000 2.182 140 G HA2 -0.330 3.627 3.960 -0.004 0.000 0.248 140 G HA3 -0.330 3.627 3.960 -0.004 0.000 0.248 140 G C 0.081 174.803 174.900 -0.297 0.000 1.042 140 G CA 0.408 45.332 45.100 -0.294 0.000 0.775 140 G HN 0.466 nan 8.290 nan 0.000 0.501 141 R N -0.823 119.500 120.500 -0.296 0.000 2.697 141 R HA 0.263 4.600 4.340 -0.004 0.000 0.265 141 R C -0.162 176.044 176.300 -0.157 0.000 1.009 141 R CA -0.159 55.811 56.100 -0.218 0.000 1.099 141 R CB 0.424 30.637 30.300 -0.146 0.000 0.965 141 R HN 0.262 nan 8.270 nan 0.000 0.428 142 Y N 1.349 121.668 120.300 0.032 0.000 2.425 142 Y HA 0.017 4.565 4.550 -0.004 0.000 0.331 142 Y C 1.295 177.213 175.900 0.030 0.000 1.157 142 Y CA 0.094 58.218 58.100 0.040 0.000 1.372 142 Y CB 1.015 39.514 38.460 0.065 0.000 1.253 142 Y HN 0.719 nan 8.280 nan 0.000 0.536 143 T N -1.370 113.289 114.554 0.176 0.000 2.828 143 T HA 0.096 4.443 4.350 -0.004 0.000 0.290 143 T C 1.196 175.929 174.700 0.055 0.000 1.019 143 T CA -0.852 61.293 62.100 0.076 0.000 1.031 143 T CB 1.072 69.958 68.868 0.030 0.000 1.001 143 T HN 0.466 nan 8.240 nan 0.000 0.531 144 V N 1.922 121.824 119.914 -0.021 0.000 2.332 144 V HA -0.175 3.943 4.120 -0.004 0.000 0.248 144 V C 3.092 179.148 176.094 -0.063 0.000 1.055 144 V CA 2.420 64.675 62.300 -0.075 0.000 1.038 144 V CB -1.653 30.038 31.823 -0.219 0.000 0.651 144 V HN 1.095 nan 8.190 nan 0.000 0.450 145 A N -0.577 122.213 122.820 -0.050 0.000 1.940 145 A HA -0.281 4.037 4.320 -0.004 0.000 0.219 145 A C 2.168 179.732 177.584 -0.032 0.000 1.176 145 A CA 2.096 54.111 52.037 -0.037 0.000 0.631 145 A CB -0.469 18.517 19.000 -0.022 0.000 0.814 145 A HN 0.655 nan 8.150 nan 0.000 0.446 146 E N -0.263 119.935 120.200 -0.004 0.000 2.047 146 E HA -0.121 4.227 4.350 -0.004 0.000 0.191 146 E C 1.978 178.501 176.600 -0.127 0.000 0.987 146 E CA 1.130 57.528 56.400 -0.003 0.000 0.799 146 E CB -0.284 29.503 29.700 0.144 0.000 0.752 146 E HN 0.636 nan 8.360 nan 0.000 0.449 147 L N 0.860 121.988 121.223 -0.158 0.000 2.083 147 L HA -0.240 4.098 4.340 -0.004 0.000 0.209 147 L C 2.540 179.229 176.870 -0.302 0.000 1.083 147 L CA 1.253 55.920 54.840 -0.288 0.000 0.752 147 L CB -0.413 41.546 42.059 -0.167 0.000 0.899 147 L HN 0.163 nan 8.230 nan 0.000 0.433 148 Q N -0.265 119.434 119.800 -0.169 0.000 2.084 148 Q HA -0.263 4.075 4.340 -0.004 0.000 0.202 148 Q C 2.138 178.070 176.000 -0.114 0.000 0.978 148 Q CA 1.656 57.378 55.803 -0.135 0.000 0.844 148 Q CB -0.105 28.587 28.738 -0.078 0.000 0.898 148 Q HN 0.482 nan 8.270 nan 0.000 0.426 149 E N 0.766 120.909 120.200 -0.094 0.000 2.077 149 E HA -0.193 4.154 4.350 -0.004 0.000 0.193 149 E C 1.869 178.431 176.600 -0.063 0.000 0.989 149 E CA 0.849 57.218 56.400 -0.051 0.000 0.800 149 E CB 0.002 29.678 29.700 -0.041 0.000 0.746 149 E HN 0.329 nan 8.360 nan 0.000 0.452 150 I N 0.888 121.359 120.570 -0.166 0.000 2.202 150 I HA -0.248 3.920 4.170 -0.004 0.000 0.242 150 I C 2.686 178.670 176.117 -0.222 0.000 1.091 150 I CA 1.400 62.596 61.300 -0.173 0.000 1.368 150 I CB -0.367 37.470 38.000 -0.271 0.000 1.058 150 I HN 0.246 nan 8.210 nan 0.000 0.410 151 E N 1.159 121.054 120.200 -0.510 0.000 2.058 151 E HA -0.290 4.057 4.350 -0.004 0.000 0.194 151 E C 1.645 178.223 176.600 -0.036 0.000 0.997 151 E CA 1.888 58.049 56.400 -0.399 0.000 0.801 151 E CB 0.040 29.520 29.700 -0.366 0.000 0.746 151 E HN 0.399 nan 8.360 nan 0.000 0.450 152 D N -0.541 119.862 120.400 0.005 0.000 2.144 152 D HA -0.160 4.477 4.640 -0.004 0.000 0.199 152 D C 1.608 177.948 176.300 0.066 0.000 0.984 152 D CA 0.828 54.863 54.000 0.060 0.000 0.834 152 D CB -0.400 40.439 40.800 0.065 0.000 0.955 152 D HN 0.297 nan 8.370 nan 0.000 0.465 153 Y N 1.463 121.751 120.300 -0.020 0.000 2.181 153 Y HA -0.149 4.399 4.550 -0.004 0.000 0.288 153 Y C 2.326 178.294 175.900 0.114 0.000 1.146 153 Y CA 1.479 59.591 58.100 0.020 0.000 1.164 153 Y CB -0.310 38.174 38.460 0.041 0.000 0.982 153 Y HN -0.050 nan 8.280 nan 0.000 0.515 154 A N 0.031 122.992 122.820 0.235 0.000 1.902 154 A HA -0.154 4.164 4.320 -0.004 0.000 0.217 154 A C 2.378 180.059 177.584 0.162 0.000 1.181 154 A CA 1.856 54.039 52.037 0.243 0.000 0.623 154 A CB -1.407 17.765 19.000 0.286 0.000 0.818 154 A HN 0.517 nan 8.150 nan 0.000 0.443 155 A N -0.185 122.684 122.820 0.082 0.000 2.015 155 A HA -0.140 4.178 4.320 -0.004 0.000 0.219 155 A C 1.635 179.175 177.584 -0.074 0.000 1.163 155 A CA 1.687 53.743 52.037 0.032 0.000 0.646 155 A CB -0.519 18.489 19.000 0.013 0.000 0.806 155 A HN 0.457 nan 8.150 nan 0.000 0.448 156 D N -0.643 119.619 120.400 -0.230 0.000 2.221 156 D HA -0.119 4.519 4.640 -0.004 0.000 0.204 156 D C 0.711 176.617 176.300 -0.656 0.000 0.982 156 D CA 1.129 54.822 54.000 -0.512 0.000 0.857 156 D CB -0.286 40.014 40.800 -0.832 0.000 0.934 156 D HN 0.595 nan 8.370 nan 0.000 0.475 157 F N 0.425 120.263 119.950 -0.188 0.000 2.641 157 F HA 0.121 4.646 4.527 -0.003 0.000 0.302 157 F C 0.393 176.294 175.800 0.168 0.000 1.098 157 F CA -0.283 57.631 58.000 -0.143 0.000 1.318 157 F CB 0.278 39.102 39.000 -0.293 0.000 1.035 157 F HN -0.281 nan 8.300 nan 0.000 0.551 158 D N 0.626 121.155 120.400 0.214 0.000 2.870 158 D HA -0.206 4.432 4.640 -0.004 0.000 0.228 158 D C 0.101 176.544 176.300 0.238 0.000 1.147 158 D CA 0.789 54.920 54.000 0.218 0.000 0.757 158 D CB -1.138 39.811 40.800 0.249 0.000 1.091 158 D HN 0.318 nan 8.370 nan 0.000 0.429 159 M N 0.104 119.829 119.600 0.209 0.000 2.367 159 M HA 0.243 4.720 4.480 -0.004 0.000 0.339 159 M C 0.766 177.164 176.300 0.164 0.000 1.177 159 M CA -0.272 55.119 55.300 0.152 0.000 1.068 159 M CB 1.857 34.561 32.600 0.173 0.000 1.602 159 M HN -0.255 nan 8.290 nan 0.000 0.457 160 S N 1.279 117.065 115.700 0.142 0.000 2.652 160 S HA 0.582 5.050 4.470 -0.004 0.000 0.270 160 S C -1.054 173.703 174.600 0.262 0.000 1.243 160 S CA -0.525 57.777 58.200 0.170 0.000 0.999 160 S CB 0.867 64.130 63.200 0.106 0.000 0.973 160 S HN 0.490 nan 8.310 nan 0.000 0.544 161 F N 1.382 121.379 119.950 0.078 0.000 2.539 161 F HA 0.595 5.120 4.527 -0.003 0.000 0.318 161 F C -1.351 174.452 175.800 0.005 0.000 1.135 161 F CA -0.753 57.280 58.000 0.055 0.000 0.915 161 F CB 1.092 40.133 39.000 0.068 0.000 1.176 161 F HN 0.249 nan 8.300 nan 0.000 0.440 162 V N 7.801 127.301 119.914 -0.689 0.000 2.409 162 V HA 0.408 4.525 4.120 -0.004 0.000 0.290 162 V C -2.310 173.302 176.094 -0.804 0.000 1.017 162 V CA -1.841 60.132 62.300 -0.546 0.000 0.841 162 V CB 1.504 33.155 31.823 -0.287 0.000 1.003 162 V HN 0.584 nan 8.190 nan 0.000 0.426 163 P HA 0.231 nan 4.420 nan 0.000 0.275 163 P C -0.666 176.394 177.300 -0.399 0.000 1.227 163 P CA -0.302 62.450 63.100 -0.581 0.000 0.781 163 P CB 0.562 31.994 31.700 -0.448 0.000 0.906 164 C N 4.904 124.022 119.300 -0.303 0.000 2.271 164 C HA 0.598 5.056 4.460 -0.004 0.000 0.323 164 C C 0.985 175.914 174.990 -0.102 0.000 1.245 164 C CA -0.260 58.674 59.018 -0.141 0.000 1.548 164 C CB -1.485 26.276 27.740 0.035 0.000 2.214 164 C HN 0.528 nan 8.230 nan 0.000 0.477 165 I N 0.909 121.409 120.570 -0.117 0.000 3.540 165 I HA 0.693 4.861 4.170 -0.004 0.000 0.288 165 I C -0.869 175.273 176.117 0.042 0.000 1.169 165 I CA -0.620 60.631 61.300 -0.082 0.000 1.038 165 I CB 1.178 39.083 38.000 -0.159 0.000 1.338 165 I HN 0.265 nan 8.210 nan 0.000 0.507 166 Q N 1.294 121.147 119.800 0.089 0.000 2.321 166 Q HA 0.328 4.666 4.340 -0.004 0.000 0.270 166 Q C -0.436 175.660 176.000 0.160 0.000 1.032 166 Q CA -0.299 55.597 55.803 0.154 0.000 0.784 166 Q CB 2.115 30.955 28.738 0.170 0.000 1.264 166 Q HN 0.907 nan 8.270 nan 0.000 0.448 167 T N -1.202 113.458 114.554 0.176 0.000 3.132 167 T HA 0.274 4.622 4.350 -0.004 0.000 0.274 167 T C 0.679 175.559 174.700 0.301 0.000 1.011 167 T CA -0.025 62.203 62.100 0.213 0.000 0.899 167 T CB 0.303 69.289 68.868 0.197 0.000 1.089 167 T HN 0.322 nan 8.240 nan 0.000 0.543 168 L N 0.082 121.436 121.223 0.217 0.000 2.923 168 L HA 0.901 5.239 4.340 -0.004 0.000 0.161 168 L C 0.403 177.311 176.870 0.063 0.000 1.202 168 L CA 0.648 55.565 54.840 0.128 0.000 0.920 168 L CB 0.111 42.239 42.059 0.115 0.000 1.773 168 L HN 0.256 nan 8.230 nan 0.000 0.532 169 A N -2.335 120.528 122.820 0.072 0.000 2.858 169 A HA 0.582 4.900 4.320 -0.004 0.000 0.232 169 A C -0.512 177.136 177.584 0.107 0.000 1.258 169 A CA 0.190 52.232 52.037 0.009 0.000 0.909 169 A CB 0.065 18.993 19.000 -0.121 0.000 1.491 169 A HN 0.485 nan 8.150 nan 0.000 0.472 170 H N -1.774 117.287 119.070 -0.014 0.000 2.770 170 H HA -0.122 4.432 4.556 -0.004 0.000 0.309 170 H C -0.421 174.922 175.328 0.024 0.000 1.206 170 H CA 1.130 57.179 56.048 0.001 0.000 1.147 170 H CB -1.370 28.420 29.762 0.046 0.000 1.422 170 H HN 0.416 nan 8.280 nan 0.000 0.420 171 L N 0.399 121.680 121.223 0.098 0.000 3.218 171 L HA 0.056 4.393 4.340 -0.004 0.000 0.279 171 L C 1.907 178.830 176.870 0.089 0.000 1.287 171 L CA 0.613 55.523 54.840 0.117 0.000 1.024 171 L CB 0.452 42.631 42.059 0.201 0.000 1.409 171 L HN 0.226 nan 8.230 nan 0.000 0.580 172 S N 0.030 115.746 115.700 0.026 0.000 2.400 172 S HA -0.220 4.247 4.470 -0.004 0.000 0.232 172 S C 1.994 176.582 174.600 -0.020 0.000 1.025 172 S CA 1.165 59.351 58.200 -0.022 0.000 0.993 172 S CB -0.096 63.071 63.200 -0.054 0.000 0.808 172 S HN 0.417 nan 8.310 nan 0.000 0.478 173 A N 0.054 122.884 122.820 0.017 0.000 2.119 173 A HA 0.255 4.573 4.320 -0.004 0.000 0.216 173 A C 1.784 179.473 177.584 0.175 0.000 1.152 173 A CA 0.855 52.912 52.037 0.034 0.000 0.708 173 A CB -0.697 18.318 19.000 0.025 0.000 0.805 173 A HN 0.607 nan 8.150 nan 0.000 0.460 174 F N 0.658 120.616 119.950 0.013 0.000 2.220 174 F HA -0.000 4.525 4.527 -0.004 0.000 0.290 174 F C 2.051 177.964 175.800 0.188 0.000 1.080 174 F CA 1.508 59.594 58.000 0.145 0.000 1.318 174 F CB -0.348 38.679 39.000 0.046 0.000 1.063 174 F HN 0.075 nan 8.300 nan 0.000 0.498 175 V N 0.469 120.323 119.914 -0.099 0.000 3.305 175 V HA -0.098 4.020 4.120 -0.004 0.000 0.269 175 V C 1.983 177.947 176.094 -0.218 0.000 1.157 175 V CA 1.468 63.613 62.300 -0.258 0.000 1.157 175 V CB -1.590 30.151 31.823 -0.137 0.000 0.772 175 V HN 0.499 nan 8.190 nan 0.000 0.498 176 K N -0.527 119.728 120.400 -0.240 0.000 2.362 176 K HA -0.111 4.206 4.320 -0.004 0.000 0.200 176 K C 0.449 176.784 176.600 -0.441 0.000 1.046 176 K CA 0.474 56.545 56.287 -0.361 0.000 0.952 176 K CB -0.336 31.881 32.500 -0.472 0.000 0.753 176 K HN 0.593 nan 8.250 nan 0.000 0.466 177 W N 2.078 123.282 121.300 -0.160 0.000 2.419 177 W HA 0.233 4.891 4.660 -0.003 0.000 0.312 177 W C 0.842 177.195 176.519 -0.276 0.000 1.323 177 W CA -0.727 56.494 57.345 -0.206 0.000 1.293 177 W CB 0.940 30.232 29.460 -0.280 0.000 1.324 177 W HN 0.147 nan 8.180 nan 0.000 0.512 178 G N 5.690 114.496 108.800 0.010 0.000 3.197 178 G HA2 0.259 4.217 3.960 -0.004 0.000 0.257 178 G HA3 0.259 4.217 3.960 -0.004 0.000 0.257 178 G C -0.295 174.559 174.900 -0.077 0.000 0.835 178 G CA -0.261 44.811 45.100 -0.047 0.000 2.001 178 G HN 0.302 nan 8.290 nan 0.000 0.625 179 I N 0.419 120.896 120.570 -0.156 0.000 2.498 179 I HA 0.248 4.416 4.170 -0.004 0.000 0.290 179 I C 1.031 177.063 176.117 -0.141 0.000 1.032 179 I CA -0.966 60.212 61.300 -0.204 0.000 1.073 179 I CB 1.981 39.699 38.000 -0.469 0.000 1.251 179 I HN 0.282 nan 8.210 nan 0.000 0.426 180 K N 3.785 124.132 120.400 -0.088 0.000 2.044 180 K HA -0.219 4.098 4.320 -0.004 0.000 0.210 180 K C 1.084 177.650 176.600 -0.057 0.000 1.049 180 K CA 2.121 58.372 56.287 -0.060 0.000 0.927 180 K CB 0.369 32.848 32.500 -0.036 0.000 0.713 180 K HN 0.499 nan 8.250 nan 0.000 0.443 181 E N -0.186 119.984 120.200 -0.049 0.000 2.265 181 E HA -0.117 4.231 4.350 -0.004 0.000 0.196 181 E C 1.738 178.320 176.600 -0.030 0.000 0.996 181 E CA 0.850 57.240 56.400 -0.018 0.000 0.832 181 E CB 0.164 29.873 29.700 0.016 0.000 0.756 181 E HN 0.125 nan 8.360 nan 0.000 0.491 182 V N 0.334 120.182 119.914 -0.110 0.000 2.426 182 V HA -0.141 3.977 4.120 -0.004 0.000 0.242 182 V C 2.015 177.991 176.094 -0.196 0.000 1.036 182 V CA 1.003 63.168 62.300 -0.225 0.000 1.044 182 V CB -0.301 31.294 31.823 -0.380 0.000 0.688 182 V HN 0.180 nan 8.190 nan 0.000 0.462 183 Q N 0.851 120.560 119.800 -0.150 0.000 2.170 183 Q HA -0.225 4.113 4.340 -0.004 0.000 0.203 183 Q C 2.146 178.102 176.000 -0.073 0.000 0.976 183 Q CA 1.758 57.493 55.803 -0.113 0.000 0.858 183 Q CB -0.412 28.271 28.738 -0.092 0.000 0.907 183 Q HN 0.923 nan 8.270 nan 0.000 0.433 184 E N 0.122 120.289 120.200 -0.054 0.000 2.478 184 E HA -0.099 4.249 4.350 -0.004 0.000 0.198 184 E C 1.424 178.015 176.600 -0.014 0.000 1.046 184 E CA 0.329 56.713 56.400 -0.028 0.000 0.870 184 E CB -0.218 29.473 29.700 -0.015 0.000 0.818 184 E HN 0.315 nan 8.360 nan 0.000 0.527 185 L N 0.582 121.792 121.223 -0.021 0.000 2.591 185 L HA 0.185 4.523 4.340 -0.004 0.000 0.228 185 L C 0.951 177.819 176.870 -0.003 0.000 1.133 185 L CA -0.041 54.802 54.840 0.005 0.000 0.880 185 L CB -0.070 42.020 42.059 0.051 0.000 1.033 185 L HN -0.024 nan 8.230 nan 0.000 0.450 186 R N -0.125 120.363 120.500 -0.022 0.000 2.474 186 R HA 0.150 4.488 4.340 -0.004 0.000 0.295 186 R C 0.251 176.552 176.300 0.002 0.000 0.980 186 R CA -0.512 55.575 56.100 -0.021 0.000 0.934 186 R CB 1.761 32.033 30.300 -0.047 0.000 1.101 186 R HN -0.156 nan 8.270 nan 0.000 0.469 187 D N 0.849 121.254 120.400 0.008 0.000 2.394 187 D HA 0.075 4.713 4.640 -0.004 0.000 0.237 187 D C -0.390 175.922 176.300 0.021 0.000 1.028 187 D CA 0.752 54.775 54.000 0.038 0.000 0.937 187 D CB 0.601 41.424 40.800 0.039 0.000 1.072 187 D HN 0.126 nan 8.370 nan 0.000 0.457 188 V N -0.423 119.489 119.914 -0.002 0.000 3.108 188 V HA 0.258 4.376 4.120 -0.004 0.000 0.287 188 V C -0.608 175.468 176.094 -0.030 0.000 1.436 188 V CA -0.237 62.058 62.300 -0.009 0.000 1.001 188 V CB 1.597 33.425 31.823 0.008 0.000 1.141 188 V HN 0.471 nan 8.190 nan 0.000 0.443 189 E N 2.182 122.362 120.200 -0.034 0.000 3.289 189 E HA -0.285 4.063 4.350 -0.004 0.000 0.386 189 E C -0.222 176.339 176.600 -0.065 0.000 1.526 189 E CA 1.856 58.226 56.400 -0.050 0.000 1.519 189 E CB -0.629 29.040 29.700 -0.052 0.000 1.657 189 E HN 1.105 nan 8.360 nan 0.000 0.479 190 D N 1.409 121.757 120.400 -0.088 0.000 2.395 190 D HA 0.168 4.806 4.640 -0.004 0.000 0.226 190 D C 0.318 176.583 176.300 -0.059 0.000 1.146 190 D CA 0.223 54.173 54.000 -0.083 0.000 0.830 190 D CB -0.342 40.379 40.800 -0.131 0.000 0.958 190 D HN 0.245 nan 8.370 nan 0.000 0.501 191 I N 0.917 121.454 120.570 -0.055 0.000 2.377 191 I HA 0.248 4.415 4.170 -0.004 0.000 0.293 191 I C 0.546 176.646 176.117 -0.028 0.000 0.987 191 I CA -1.070 60.200 61.300 -0.051 0.000 1.185 191 I CB 2.003 39.959 38.000 -0.073 0.000 1.341 191 I HN -0.254 nan 8.210 nan 0.000 0.455 192 L N 5.227 126.438 121.223 -0.019 0.000 2.464 192 L HA 0.164 4.502 4.340 -0.004 0.000 0.264 192 L C -0.077 176.748 176.870 -0.074 0.000 1.199 192 L CA -0.562 54.266 54.840 -0.021 0.000 0.818 192 L CB 0.517 42.579 42.059 0.006 0.000 1.102 192 L HN 0.416 nan 8.230 nan 0.000 0.473 193 L N 3.372 124.569 121.223 -0.043 0.000 2.295 193 L HA 0.318 4.656 4.340 -0.004 0.000 0.288 193 L C 0.049 176.907 176.870 -0.019 0.000 1.079 193 L CA 0.299 55.147 54.840 0.013 0.000 0.830 193 L CB 0.060 42.157 42.059 0.064 0.000 1.200 193 L HN 0.266 nan 8.230 nan 0.000 0.438 194 I N 5.720 126.269 120.570 -0.036 0.000 2.752 194 I HA 0.156 4.324 4.170 -0.004 0.000 0.287 194 I C 1.503 177.807 176.117 0.311 0.000 1.188 194 I CA 1.191 62.490 61.300 -0.001 0.000 1.427 194 I CB 0.375 38.267 38.000 -0.180 0.000 1.365 194 I HN 0.906 nan 8.210 nan 0.000 0.585 195 G N 4.111 113.180 108.800 0.449 0.000 2.199 195 G HA2 -0.277 3.681 3.960 -0.004 0.000 0.254 195 G HA3 -0.277 3.681 3.960 -0.004 0.000 0.254 195 G C 0.141 175.271 174.900 0.383 0.000 0.982 195 G CA 0.145 45.520 45.100 0.457 0.000 0.632 195 G HN 0.666 nan 8.290 nan 0.000 0.529 196 E N 1.172 121.519 120.200 0.246 0.000 2.194 196 E HA 0.533 4.880 4.350 -0.004 0.000 0.284 196 E C 1.385 178.077 176.600 0.154 0.000 1.035 196 E CA -0.506 55.984 56.400 0.150 0.000 0.836 196 E CB 0.591 30.330 29.700 0.065 0.000 1.070 196 E HN 0.180 nan 8.360 nan 0.000 0.401 197 E N 3.963 124.289 120.200 0.211 0.000 2.204 197 E HA -0.135 4.213 4.350 -0.004 0.000 0.194 197 E C 0.869 177.564 176.600 0.158 0.000 0.989 197 E CA 0.732 57.284 56.400 0.255 0.000 0.824 197 E CB 0.137 29.949 29.700 0.186 0.000 0.756 197 E HN 0.496 nan 8.360 nan 0.000 0.477 198 K N 0.510 120.962 120.400 0.088 0.000 2.211 198 K HA -0.023 4.295 4.320 -0.004 0.000 0.203 198 K C 2.165 178.783 176.600 0.029 0.000 1.050 198 K CA 0.354 56.678 56.287 0.062 0.000 0.945 198 K CB -0.155 32.376 32.500 0.051 0.000 0.732 198 K HN 0.037 nan 8.250 nan 0.000 0.451 199 V N 0.608 120.491 119.914 -0.052 0.000 2.379 199 V HA -0.223 3.895 4.120 -0.004 0.000 0.245 199 V C 1.888 177.860 176.094 -0.203 0.000 1.044 199 V CA 1.535 63.738 62.300 -0.161 0.000 1.036 199 V CB -0.561 31.082 31.823 -0.301 0.000 0.664 199 V HN 0.154 nan 8.190 nan 0.000 0.453 200 Y N 0.339 120.716 120.300 0.128 0.000 2.373 200 Y HA -0.116 4.432 4.550 -0.004 0.000 0.293 200 Y C 2.376 178.327 175.900 0.085 0.000 1.129 200 Y CA 0.874 59.038 58.100 0.106 0.000 1.226 200 Y CB -0.624 37.891 38.460 0.091 0.000 1.000 200 Y HN 0.316 nan 8.280 nan 0.000 0.549 201 D N -0.057 120.443 120.400 0.166 0.000 2.097 201 D HA -0.164 4.474 4.640 -0.004 0.000 0.195 201 D C 2.236 178.575 176.300 0.065 0.000 0.989 201 D CA 1.011 55.078 54.000 0.112 0.000 0.827 201 D CB -0.580 40.271 40.800 0.086 0.000 0.966 201 D HN 0.254 nan 8.370 nan 0.000 0.456 202 L N 0.902 122.147 121.223 0.037 0.000 1.989 202 L HA -0.130 4.208 4.340 -0.004 0.000 0.211 202 L C 2.185 179.035 176.870 -0.033 0.000 1.071 202 L CA 1.461 56.285 54.840 -0.028 0.000 0.749 202 L CB -0.530 41.528 42.059 -0.002 0.000 0.890 202 L HN -0.005 nan 8.230 nan 0.000 0.431 203 I N -0.504 120.098 120.570 0.053 0.000 2.286 203 I HA -0.290 3.877 4.170 -0.004 0.000 0.248 203 I C 2.504 178.737 176.117 0.193 0.000 1.115 203 I CA 1.614 62.992 61.300 0.130 0.000 1.392 203 I CB -0.357 37.770 38.000 0.212 0.000 1.065 203 I HN 0.441 nan 8.210 nan 0.000 0.418 204 E N 1.101 121.400 120.200 0.165 0.000 2.153 204 E HA -0.171 4.177 4.350 -0.004 0.000 0.194 204 E C 2.263 178.879 176.600 0.027 0.000 0.988 204 E CA 1.246 57.735 56.400 0.148 0.000 0.811 204 E CB -0.175 29.628 29.700 0.172 0.000 0.746 204 E HN 0.484 nan 8.360 nan 0.000 0.466 205 G N 0.698 109.492 108.800 -0.010 0.000 2.422 205 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.218 205 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.218 205 G C 1.520 176.348 174.900 -0.119 0.000 1.146 205 G CA 0.980 46.034 45.100 -0.077 0.000 0.769 205 G HN 0.214 nan 8.290 nan 0.000 0.547 206 M N -0.450 119.073 119.600 -0.129 0.000 2.117 206 M HA 0.060 4.538 4.480 -0.004 0.000 0.262 206 M C 2.312 178.400 176.300 -0.354 0.000 1.065 206 M CA 1.260 56.465 55.300 -0.159 0.000 1.114 206 M CB -0.429 32.070 32.600 -0.170 0.000 1.361 206 M HN 0.195 nan 8.290 nan 0.000 0.408 207 F N 0.656 120.400 119.950 -0.343 0.000 2.234 207 F HA -0.165 4.360 4.527 -0.004 0.000 0.299 207 F C 2.630 178.068 175.800 -0.604 0.000 1.087 207 F CA 1.333 59.008 58.000 -0.542 0.000 1.340 207 F CB -0.466 38.191 39.000 -0.571 0.000 1.031 207 F HN 0.181 nan 8.300 nan 0.000 0.500 208 Q N -0.568 118.984 119.800 -0.414 0.000 2.124 208 Q HA -0.165 4.172 4.340 -0.004 0.000 0.202 208 Q C 2.138 178.135 176.000 -0.005 0.000 0.977 208 Q CA 2.006 57.646 55.803 -0.272 0.000 0.850 208 Q CB -0.472 28.199 28.738 -0.111 0.000 0.901 208 Q HN 0.337 nan 8.270 nan 0.000 0.429 209 T N 0.723 115.283 114.554 0.011 0.000 2.674 209 T HA -0.104 4.244 4.350 -0.004 0.000 0.265 209 T C 1.704 176.480 174.700 0.126 0.000 1.039 209 T CA 1.039 63.213 62.100 0.124 0.000 1.150 209 T CB -0.028 68.870 68.868 0.049 0.000 0.864 209 T HN 0.176 nan 8.240 nan 0.000 0.427 210 M N 1.074 120.618 119.600 -0.093 0.000 2.394 210 M HA 0.192 4.669 4.480 -0.004 0.000 0.264 210 M C 2.601 179.044 176.300 0.239 0.000 1.073 210 M CA 0.517 55.790 55.300 -0.045 0.000 1.111 210 M CB -1.413 30.976 32.600 -0.352 0.000 1.401 210 M HN 0.267 nan 8.290 nan 0.000 0.448 211 A N -0.836 122.116 122.820 0.220 0.000 2.121 211 A HA -0.154 4.164 4.320 -0.004 0.000 0.218 211 A C 1.590 179.178 177.584 0.007 0.000 1.154 211 A CA 1.211 53.385 52.037 0.229 0.000 0.679 211 A CB -1.098 18.024 19.000 0.203 0.000 0.795 211 A HN 0.537 nan 8.150 nan 0.000 0.458 212 H N -0.644 118.450 119.070 0.041 0.000 2.546 212 H HA 0.212 4.766 4.556 -0.004 0.000 0.277 212 H C 0.557 175.825 175.328 -0.100 0.000 1.004 212 H CA 0.391 56.424 56.048 -0.025 0.000 1.231 212 H CB -0.196 29.548 29.762 -0.029 0.000 1.382 212 H HN 0.383 nan 8.280 nan 0.000 0.580 213 L N -0.127 121.123 121.223 0.046 0.000 2.454 213 L HA 0.099 4.437 4.340 -0.004 0.000 0.256 213 L C 1.458 178.241 176.870 -0.145 0.000 1.136 213 L CA -0.580 54.228 54.840 -0.053 0.000 0.804 213 L CB 0.725 42.852 42.059 0.113 0.000 1.181 213 L HN 0.321 nan 8.230 nan 0.000 0.469 214 H N -0.782 118.324 119.070 0.061 0.000 2.436 214 H HA -0.034 4.520 4.556 -0.004 0.000 0.294 214 H C 0.815 176.143 175.328 -0.000 0.000 1.048 214 H CA 0.533 56.595 56.048 0.023 0.000 1.353 214 H CB 0.170 29.948 29.762 0.027 0.000 1.414 214 H HN 0.529 nan 8.280 nan 0.000 0.536 215 T N 1.663 116.316 114.554 0.164 0.000 2.940 215 T HA 0.021 4.369 4.350 -0.004 0.000 0.309 215 T C 1.046 175.690 174.700 -0.093 0.000 1.056 215 T CA -0.144 62.022 62.100 0.109 0.000 1.137 215 T CB 0.472 69.465 68.868 0.209 0.000 0.976 215 T HN 0.186 nan 8.240 nan 0.000 0.547 216 R N 3.172 123.567 120.500 -0.176 0.000 2.662 216 R HA 0.250 4.588 4.340 -0.004 0.000 0.396 216 R C -0.156 176.104 176.300 -0.067 0.000 1.096 216 R CA -0.205 55.579 56.100 -0.528 0.000 1.081 216 R CB 0.304 30.332 30.300 -0.453 0.000 1.382 216 R HN 0.552 nan 8.270 nan 0.000 0.580 217 K N 1.024 121.507 120.400 0.138 0.000 2.345 217 K HA 0.530 4.848 4.320 -0.004 0.000 0.255 217 K C -1.260 175.451 176.600 0.186 0.000 0.934 217 K CA -0.541 55.851 56.287 0.174 0.000 0.801 217 K CB 1.629 34.170 32.500 0.067 0.000 1.137 217 K HN 0.053 nan 8.250 nan 0.000 0.424 218 I N 2.528 123.177 120.570 0.131 0.000 2.841 218 I HA 0.288 4.456 4.170 -0.004 0.000 0.298 218 I C -1.831 174.223 176.117 -0.106 0.000 1.304 218 I CA -0.800 60.474 61.300 -0.043 0.000 1.019 218 I CB 2.154 40.053 38.000 -0.168 0.000 1.282 218 I HN 0.654 nan 8.210 nan 0.000 0.432 219 N N 7.104 125.680 118.700 -0.207 0.000 2.444 219 N HA 0.336 5.074 4.740 -0.004 0.000 0.262 219 N C 0.368 175.752 175.510 -0.210 0.000 0.974 219 N CA -0.525 52.369 53.050 -0.260 0.000 0.933 219 N CB 1.320 39.567 38.487 -0.400 0.000 1.137 219 N HN 0.715 nan 8.380 nan 0.000 0.498 220 I N 0.827 121.315 120.570 -0.137 0.000 3.684 220 I HA 0.351 4.518 4.170 -0.004 0.000 0.304 220 I C 1.060 177.192 176.117 0.025 0.000 1.278 220 I CA -0.003 61.272 61.300 -0.043 0.000 1.272 220 I CB -0.342 37.695 38.000 0.061 0.000 1.029 220 I HN 0.584 nan 8.210 nan 0.000 0.458 221 G N 2.381 111.165 108.800 -0.026 0.000 2.554 221 G HA2 -0.323 3.634 3.960 -0.004 0.000 0.253 221 G HA3 -0.323 3.634 3.960 -0.004 0.000 0.253 221 G C 0.377 175.450 174.900 0.288 0.000 1.172 221 G CA 0.237 45.470 45.100 0.222 0.000 0.950 221 G HN 0.389 nan 8.290 nan 0.000 0.557 222 M N 0.504 120.284 119.600 0.299 0.000 2.976 222 M HA -0.126 4.351 4.480 -0.004 0.000 0.206 222 M C 0.221 176.643 176.300 0.203 0.000 0.591 222 M CA 1.357 56.782 55.300 0.207 0.000 0.777 222 M CB -2.219 30.466 32.600 0.142 0.000 2.782 222 M HN 1.015 nan 8.290 nan 0.000 0.331 223 D N 1.700 122.294 120.400 0.323 0.000 2.339 223 D HA 0.236 4.874 4.640 -0.004 0.000 0.245 223 D C 0.325 176.659 176.300 0.055 0.000 1.115 223 D CA 0.244 54.359 54.000 0.192 0.000 0.917 223 D CB 0.620 41.415 40.800 -0.008 0.000 1.192 223 D HN 0.387 nan 8.370 nan 0.000 0.428 224 E N -0.852 119.321 120.200 -0.044 0.000 2.320 224 E HA -0.185 4.163 4.350 -0.004 0.000 0.234 224 E C -0.717 175.548 176.600 -0.559 0.000 1.183 224 E CA 0.612 56.767 56.400 -0.408 0.000 0.713 224 E CB -1.480 28.042 29.700 -0.297 0.000 1.226 224 E HN 0.587 nan 8.360 nan 0.000 0.382 225 A N 0.120 122.766 122.820 -0.291 0.000 3.245 225 A HA 0.283 4.601 4.320 -0.004 0.000 0.282 225 A C 0.589 178.118 177.584 -0.093 0.000 1.417 225 A CA -0.282 51.635 52.037 -0.200 0.000 1.149 225 A CB -0.280 18.654 19.000 -0.111 0.000 1.155 225 A HN 0.463 nan 8.150 nan 0.000 0.602 226 H N 0.292 119.321 119.070 -0.067 0.000 2.387 226 H HA -0.058 4.496 4.556 -0.003 0.000 0.299 226 H C 0.821 176.129 175.328 -0.033 0.000 1.099 226 H CA 1.365 57.387 56.048 -0.043 0.000 1.315 226 H CB 0.134 29.875 29.762 -0.035 0.000 1.380 226 H HN 0.524 nan 8.280 nan 0.000 0.513 227 L N 1.333 122.601 121.223 0.075 0.000 2.791 227 L HA 0.132 4.470 4.340 -0.004 0.000 0.239 227 L C 0.179 177.056 176.870 0.011 0.000 1.203 227 L CA -0.500 54.367 54.840 0.046 0.000 1.002 227 L CB 0.748 42.830 42.059 0.038 0.000 1.295 227 L HN 0.065 nan 8.230 nan 0.000 0.504 228 V N 1.488 121.387 119.914 -0.026 0.000 2.644 228 V HA 0.115 4.233 4.120 -0.004 0.000 0.305 228 V C 1.434 177.464 176.094 -0.107 0.000 1.053 228 V CA 1.574 63.821 62.300 -0.088 0.000 1.186 228 V CB 0.551 32.296 31.823 -0.130 0.000 0.895 228 V HN 0.756 nan 8.190 nan 0.000 0.490 229 G N 4.488 113.198 108.800 -0.149 0.000 2.176 229 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.253 229 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.253 229 G C 0.377 175.358 174.900 0.135 0.000 0.979 229 G CA 0.459 45.459 45.100 -0.167 0.000 0.641 229 G HN 0.888 nan 8.290 nan 0.000 0.530 230 L N 0.202 121.498 121.223 0.123 0.000 2.766 230 L HA 0.469 4.807 4.340 -0.004 0.000 0.242 230 L C 1.925 178.869 176.870 0.124 0.000 1.136 230 L CA 0.434 55.365 54.840 0.152 0.000 0.933 230 L CB 0.324 42.455 42.059 0.119 0.000 1.241 230 L HN 0.322 nan 8.230 nan 0.000 0.522 231 G N -0.262 108.612 108.800 0.122 0.000 3.392 231 G HA2 0.133 4.091 3.960 -0.004 0.000 0.188 231 G HA3 0.133 4.091 3.960 -0.004 0.000 0.188 231 G C 0.931 175.883 174.900 0.086 0.000 1.485 231 G CA -0.292 44.858 45.100 0.083 0.000 0.943 231 G HN -0.049 nan 8.290 nan 0.000 0.627 232 R N -1.186 119.352 120.500 0.063 0.000 2.170 232 R HA -0.126 4.212 4.340 -0.004 0.000 0.242 232 R C 2.196 178.524 176.300 0.047 0.000 1.145 232 R CA 1.401 57.521 56.100 0.033 0.000 0.984 232 R CB -0.492 29.817 30.300 0.015 0.000 0.869 232 R HN 0.517 nan 8.270 nan 0.000 0.455 233 Y N 1.267 121.594 120.300 0.045 0.000 2.128 233 Y HA -0.231 4.317 4.550 -0.004 0.000 0.284 233 Y C 2.144 178.121 175.900 0.128 0.000 1.154 233 Y CA 1.533 59.706 58.100 0.122 0.000 1.149 233 Y CB -0.142 38.382 38.460 0.106 0.000 0.976 233 Y HN 0.025 nan 8.280 nan 0.000 0.505 234 L N -0.315 121.059 121.223 0.251 0.000 2.093 234 L HA -0.200 4.138 4.340 -0.004 0.000 0.208 234 L C 2.142 179.043 176.870 0.051 0.000 1.085 234 L CA 1.548 56.506 54.840 0.196 0.000 0.755 234 L CB -0.416 41.765 42.059 0.204 0.000 0.904 234 L HN 0.356 nan 8.230 nan 0.000 0.435 235 I N -0.024 120.547 120.570 0.001 0.000 2.226 235 I HA -0.334 3.833 4.170 -0.004 0.000 0.245 235 I C 2.436 178.469 176.117 -0.139 0.000 1.100 235 I CA 1.395 62.666 61.300 -0.049 0.000 1.374 235 I CB -0.235 37.739 38.000 -0.044 0.000 1.057 235 I HN 0.235 nan 8.210 nan 0.000 0.413 236 K N -0.536 119.699 120.400 -0.275 0.000 2.116 236 K HA -0.054 4.264 4.320 -0.004 0.000 0.203 236 K C 1.585 177.814 176.600 -0.618 0.000 1.052 236 K CA 0.953 56.924 56.287 -0.527 0.000 0.952 236 K CB 0.071 32.080 32.500 -0.817 0.000 0.729 236 K HN 0.426 nan 8.250 nan 0.000 0.446 237 H N -1.243 117.680 119.070 -0.245 0.000 3.170 237 H HA 0.206 4.760 4.556 -0.004 0.000 0.264 237 H C 0.872 176.170 175.328 -0.049 0.000 1.113 237 H CA 0.609 56.532 56.048 -0.209 0.000 1.194 237 H CB 1.112 30.600 29.762 -0.457 0.000 1.553 237 H HN 0.301 nan 8.280 nan 0.000 0.538 238 G N 1.651 110.507 108.800 0.093 0.000 2.782 238 G HA2 -0.279 3.678 3.960 -0.004 0.000 0.228 238 G HA3 -0.279 3.678 3.960 -0.004 0.000 0.228 238 G C -0.650 174.405 174.900 0.259 0.000 1.372 238 G CA -0.307 44.888 45.100 0.158 0.000 0.862 238 G HN 0.252 nan 8.290 nan 0.000 0.547 239 F N 1.869 121.884 119.950 0.108 0.000 2.467 239 F HA 0.578 5.103 4.527 -0.003 0.000 0.362 239 F C 0.658 176.530 175.800 0.120 0.000 1.090 239 F CA -0.014 58.054 58.000 0.114 0.000 1.202 239 F CB 0.789 39.833 39.000 0.073 0.000 1.113 239 F HN 0.538 nan 8.300 nan 0.000 0.541 240 Q N 3.669 123.161 119.800 -0.512 0.000 2.496 240 Q HA 0.201 4.538 4.340 -0.004 0.000 0.286 240 Q C -0.878 174.757 176.000 -0.608 0.000 1.103 240 Q CA -1.154 54.432 55.803 -0.363 0.000 0.813 240 Q CB 1.306 30.011 28.738 -0.054 0.000 1.444 240 Q HN 0.590 nan 8.270 nan 0.000 0.443 241 N N 1.236 119.750 118.700 -0.311 0.000 2.416 241 N HA -0.013 4.725 4.740 -0.004 0.000 0.271 241 N C 0.398 175.785 175.510 -0.205 0.000 1.245 241 N CA 0.445 53.360 53.050 -0.225 0.000 0.940 241 N CB 0.427 38.861 38.487 -0.089 0.000 1.175 241 N HN 0.425 nan 8.380 nan 0.000 0.483 242 R N 1.615 121.986 120.500 -0.216 0.000 2.153 242 R HA -0.034 4.303 4.340 -0.004 0.000 0.218 242 R C 2.016 178.247 176.300 -0.116 0.000 1.072 242 R CA 0.638 56.630 56.100 -0.180 0.000 0.990 242 R CB -0.096 30.118 30.300 -0.143 0.000 0.889 242 R HN 0.474 nan 8.270 nan 0.000 0.452 243 S N 1.029 116.689 115.700 -0.067 0.000 2.359 243 S HA -0.070 4.398 4.470 -0.004 0.000 0.224 243 S C 1.841 176.420 174.600 -0.035 0.000 1.035 243 S CA 1.102 59.288 58.200 -0.023 0.000 1.018 243 S CB -0.067 63.138 63.200 0.007 0.000 0.876 243 S HN 0.219 nan 8.310 nan 0.000 0.448 244 L N 0.681 121.879 121.223 -0.042 0.000 2.109 244 L HA -0.034 4.304 4.340 -0.004 0.000 0.207 244 L C 2.437 179.254 176.870 -0.088 0.000 1.086 244 L CA 0.645 55.463 54.840 -0.036 0.000 0.760 244 L CB -0.523 41.564 42.059 0.046 0.000 0.910 244 L HN 0.340 nan 8.230 nan 0.000 0.437 245 L N -0.472 120.688 121.223 -0.104 0.000 2.012 245 L HA -0.253 4.085 4.340 -0.004 0.000 0.210 245 L C 2.576 179.380 176.870 -0.110 0.000 1.073 245 L CA 1.848 56.604 54.840 -0.139 0.000 0.748 245 L CB -0.412 41.485 42.059 -0.270 0.000 0.891 245 L HN 0.169 nan 8.230 nan 0.000 0.431 246 M N -1.461 118.073 119.600 -0.110 0.000 2.080 246 M HA -0.284 4.193 4.480 -0.004 0.000 0.260 246 M C 2.472 178.749 176.300 -0.038 0.000 1.068 246 M CA 1.842 57.102 55.300 -0.065 0.000 1.109 246 M CB -1.563 30.969 32.600 -0.113 0.000 1.342 246 M HN 0.436 nan 8.290 nan 0.000 0.405 247 C N -0.278 118.928 119.300 -0.157 0.000 2.429 247 C HA -0.170 4.288 4.460 -0.004 0.000 0.277 247 C C 2.839 177.546 174.990 -0.471 0.000 1.262 247 C CA 0.964 59.718 59.018 -0.441 0.000 1.733 247 C CB -1.094 26.033 27.740 -1.021 0.000 2.010 247 C HN 0.599 nan 8.230 nan 0.000 0.483 248 Q N -0.029 119.604 119.800 -0.278 0.000 2.050 248 Q HA -0.269 4.069 4.340 -0.004 0.000 0.202 248 Q C 2.114 178.149 176.000 0.059 0.000 0.980 248 Q CA 2.108 57.901 55.803 -0.017 0.000 0.840 248 Q CB -0.336 28.441 28.738 0.066 0.000 0.898 248 Q HN 0.832 nan 8.270 nan 0.000 0.424 249 H N 0.167 119.241 119.070 0.007 0.000 2.321 249 H HA -0.158 4.396 4.556 -0.003 0.000 0.300 249 H C 1.859 177.242 175.328 0.092 0.000 1.087 249 H CA 1.777 57.893 56.048 0.114 0.000 1.319 249 H CB -0.306 29.517 29.762 0.102 0.000 1.379 249 H HN 0.311 nan 8.280 nan 0.000 0.501 250 L N 0.857 122.085 121.223 0.008 0.000 2.042 250 L HA -0.123 4.215 4.340 -0.004 0.000 0.210 250 L C 2.317 179.165 176.870 -0.037 0.000 1.076 250 L CA 2.342 57.169 54.840 -0.021 0.000 0.749 250 L CB -0.928 41.176 42.059 0.075 0.000 0.893 250 L HN 0.494 nan 8.230 nan 0.000 0.432 251 E N -1.034 119.156 120.200 -0.017 0.000 2.110 251 E HA -0.236 4.112 4.350 -0.004 0.000 0.193 251 E C 2.192 178.761 176.600 -0.052 0.000 0.988 251 E CA 0.744 57.156 56.400 0.020 0.000 0.804 251 E CB 0.022 29.805 29.700 0.138 0.000 0.745 251 E HN 0.370 nan 8.360 nan 0.000 0.458 252 R N 0.169 120.599 120.500 -0.118 0.000 2.091 252 R HA -0.114 4.224 4.340 -0.004 0.000 0.238 252 R C 2.400 178.591 176.300 -0.182 0.000 1.136 252 R CA 1.053 57.006 56.100 -0.245 0.000 0.959 252 R CB -0.895 29.069 30.300 -0.559 0.000 0.856 252 R HN 0.202 nan 8.270 nan 0.000 0.437 253 V N 1.613 121.438 119.914 -0.148 0.000 2.358 253 V HA -0.179 3.939 4.120 -0.004 0.000 0.246 253 V C 2.502 178.514 176.094 -0.136 0.000 1.047 253 V CA 1.365 63.606 62.300 -0.098 0.000 1.035 253 V CB -0.464 31.307 31.823 -0.087 0.000 0.658 253 V HN 0.197 nan 8.190 nan 0.000 0.452 254 L N -0.264 120.907 121.223 -0.087 0.000 2.083 254 L HA -0.169 4.169 4.340 -0.004 0.000 0.209 254 L C 2.331 179.140 176.870 -0.103 0.000 1.083 254 L CA 1.385 56.184 54.840 -0.068 0.000 0.752 254 L CB -0.717 41.336 42.059 -0.009 0.000 0.899 254 L HN 0.329 nan 8.230 nan 0.000 0.433 255 D N 0.378 120.716 120.400 -0.103 0.000 2.117 255 D HA -0.142 4.496 4.640 -0.004 0.000 0.197 255 D C 2.273 178.492 176.300 -0.135 0.000 0.987 255 D CA 1.248 55.187 54.000 -0.101 0.000 0.829 255 D CB -0.071 40.672 40.800 -0.095 0.000 0.961 255 D HN 0.286 nan 8.370 nan 0.000 0.460 256 I N 1.084 121.546 120.570 -0.180 0.000 2.179 256 I HA -0.258 3.910 4.170 -0.004 0.000 0.242 256 I C 2.476 178.359 176.117 -0.389 0.000 1.088 256 I CA 1.075 62.249 61.300 -0.211 0.000 1.357 256 I CB -0.255 37.625 38.000 -0.200 0.000 1.051 256 I HN -0.077 nan 8.210 nan 0.000 0.409 257 A N 0.567 122.975 122.820 -0.686 0.000 1.908 257 A HA -0.263 4.054 4.320 -0.004 0.000 0.218 257 A C 1.957 179.503 177.584 -0.063 0.000 1.181 257 A CA 2.210 53.856 52.037 -0.651 0.000 0.627 257 A CB -0.660 18.129 19.000 -0.352 0.000 0.818 257 A HN 0.357 nan 8.150 nan 0.000 0.445 258 D N -0.535 119.821 120.400 -0.073 0.000 2.123 258 D HA -0.168 4.470 4.640 -0.004 0.000 0.196 258 D C 1.865 178.133 176.300 -0.053 0.000 0.992 258 D CA 1.620 55.604 54.000 -0.027 0.000 0.833 258 D CB -0.271 40.502 40.800 -0.045 0.000 0.954 258 D HN 0.652 nan 8.370 nan 0.000 0.455 259 K N -0.315 120.014 120.400 -0.119 0.000 2.152 259 K HA -0.171 4.146 4.320 -0.004 0.000 0.206 259 K C 1.144 177.503 176.600 -0.401 0.000 1.048 259 K CA 1.105 57.227 56.287 -0.275 0.000 0.933 259 K CB -0.086 32.192 32.500 -0.371 0.000 0.721 259 K HN 0.206 nan 8.250 nan 0.000 0.447 260 Y N -0.667 119.664 120.300 0.050 0.000 2.485 260 Y HA 0.254 4.802 4.550 -0.004 0.000 0.260 260 Y C 1.175 177.146 175.900 0.118 0.000 1.173 260 Y CA 0.246 58.440 58.100 0.157 0.000 1.252 260 Y CB 1.114 39.790 38.460 0.360 0.000 1.123 260 Y HN 0.298 nan 8.280 nan 0.000 0.524 261 G N -0.260 108.617 108.800 0.128 0.000 2.136 261 G HA2 -0.302 3.656 3.960 -0.004 0.000 0.242 261 G HA3 -0.302 3.656 3.960 -0.004 0.000 0.242 261 G C -0.118 174.767 174.900 -0.024 0.000 0.989 261 G CA -0.396 44.710 45.100 0.011 0.000 0.682 261 G HN 0.215 nan 8.290 nan 0.000 0.522 262 F N 1.168 121.184 119.950 0.110 0.000 2.375 262 F HA 0.493 5.018 4.527 -0.003 0.000 0.333 262 F C 0.836 176.688 175.800 0.086 0.000 1.104 262 F CA -0.645 57.437 58.000 0.136 0.000 1.149 262 F CB 0.923 40.095 39.000 0.287 0.000 1.190 262 F HN -0.037 nan 8.300 nan 0.000 0.533 263 N N 1.800 120.657 118.700 0.261 0.000 2.399 263 N HA 0.428 5.166 4.740 -0.004 0.000 0.295 263 N C -1.448 174.178 175.510 0.193 0.000 1.048 263 N CA -0.302 52.850 53.050 0.171 0.000 0.886 263 N CB 1.760 40.307 38.487 0.101 0.000 1.185 263 N HN 0.421 nan 8.380 nan 0.000 0.487 264 C N 0.866 120.250 119.300 0.139 0.000 2.493 264 C HA 0.479 4.937 4.460 -0.004 0.000 0.326 264 C C 0.121 175.143 174.990 0.052 0.000 1.200 264 C CA -0.789 58.293 59.018 0.107 0.000 1.739 264 C CB 1.445 29.256 27.740 0.119 0.000 2.300 264 C HN 0.577 nan 8.230 nan 0.000 0.500 265 Q N 2.121 121.915 119.800 -0.010 0.000 2.351 265 Q HA 0.846 5.183 4.340 -0.004 0.000 0.273 265 Q C -0.758 175.172 176.000 -0.116 0.000 1.077 265 Q CA -0.499 55.270 55.803 -0.056 0.000 0.843 265 Q CB 2.223 30.883 28.738 -0.130 0.000 1.367 265 Q HN 0.848 nan 8.270 nan 0.000 0.449 266 M N -1.292 118.256 119.600 -0.087 0.000 2.531 266 M HA 0.529 5.007 4.480 -0.004 0.000 0.286 266 M C -1.876 174.409 176.300 -0.024 0.000 1.232 266 M CA -0.882 54.354 55.300 -0.106 0.000 0.877 266 M CB 1.739 34.394 32.600 0.091 0.000 1.726 266 M HN 0.567 nan 8.290 nan 0.000 0.463 267 W N 1.447 122.879 121.300 0.220 0.000 2.181 267 W HA 0.330 4.988 4.660 -0.003 0.000 0.335 267 W C 1.352 178.090 176.519 0.364 0.000 1.310 267 W CA -0.029 57.511 57.345 0.325 0.000 1.226 267 W CB 0.506 30.106 29.460 0.234 0.000 1.155 267 W HN 0.882 nan 8.180 nan 0.000 0.565 268 S N -0.112 116.035 115.700 0.745 0.000 2.548 268 S HA -0.160 4.308 4.470 -0.004 0.000 0.215 268 S C 1.278 176.189 174.600 0.518 0.000 0.976 268 S CA 0.626 59.252 58.200 0.710 0.000 0.908 268 S CB -0.296 63.491 63.200 0.979 0.000 0.781 268 S HN 0.654 nan 8.310 nan 0.000 0.519 269 D N 1.851 122.313 120.400 0.104 0.000 2.178 269 D HA -0.160 4.477 4.640 -0.004 0.000 0.201 269 D C 1.699 177.969 176.300 -0.050 0.000 0.980 269 D CA 0.834 54.542 54.000 -0.487 0.000 0.842 269 D CB -0.320 39.953 40.800 -0.879 0.000 0.948 269 D HN 0.322 nan 8.370 nan 0.000 0.472 270 M N -0.115 119.435 119.600 -0.084 0.000 2.394 270 M HA 0.038 4.516 4.480 -0.004 0.000 0.264 270 M C 1.956 178.132 176.300 -0.206 0.000 1.073 270 M CA 0.560 55.766 55.300 -0.157 0.000 1.111 270 M CB -0.975 31.472 32.600 -0.254 0.000 1.401 270 M HN 0.030 nan 8.290 nan 0.000 0.448 271 F N -0.607 119.343 119.950 -0.001 0.000 2.146 271 F HA -0.185 4.340 4.527 -0.004 0.000 0.298 271 F C 2.013 177.635 175.800 -0.297 0.000 1.096 271 F CA 1.060 58.934 58.000 -0.210 0.000 1.275 271 F CB -0.718 38.057 39.000 -0.376 0.000 1.008 271 F HN -0.001 nan 8.300 nan 0.000 0.480 272 F N 0.542 120.588 119.950 0.160 0.000 2.163 272 F HA -0.090 4.435 4.527 -0.004 0.000 0.297 272 F C 2.165 178.004 175.800 0.065 0.000 1.094 272 F CA 1.133 59.196 58.000 0.105 0.000 1.290 272 F CB -0.741 38.356 39.000 0.162 0.000 1.017 272 F HN -0.229 nan 8.300 nan 0.000 0.483 273 K N 0.367 120.891 120.400 0.207 0.000 2.097 273 K HA -0.103 4.215 4.320 -0.004 0.000 0.206 273 K C 1.914 178.548 176.600 0.056 0.000 1.049 273 K CA 1.170 57.518 56.287 0.101 0.000 0.933 273 K CB -0.363 32.174 32.500 0.062 0.000 0.717 273 K HN 0.284 nan 8.250 nan 0.000 0.442 274 L N 0.037 121.282 121.223 0.037 0.000 2.313 274 L HA -0.007 4.330 4.340 -0.004 0.000 0.214 274 L C 2.082 178.968 176.870 0.027 0.000 1.119 274 L CA 0.741 55.593 54.840 0.019 0.000 0.809 274 L CB -0.030 42.022 42.059 -0.010 0.000 0.933 274 L HN 0.227 nan 8.230 nan 0.000 0.449 275 M N -1.346 118.272 119.600 0.030 0.000 2.337 275 M HA 0.098 4.576 4.480 -0.004 0.000 0.256 275 M C 0.787 177.111 176.300 0.040 0.000 1.075 275 M CA -0.053 55.261 55.300 0.022 0.000 1.024 275 M CB 0.547 33.139 32.600 -0.013 0.000 1.429 275 M HN 0.152 nan 8.290 nan 0.000 0.497 276 S N 0.088 115.825 115.700 0.062 0.000 2.585 276 S HA 0.563 5.031 4.470 -0.004 0.000 0.277 276 S C 1.013 175.639 174.600 0.043 0.000 1.241 276 S CA -0.365 57.874 58.200 0.064 0.000 1.041 276 S CB 1.861 65.115 63.200 0.090 0.000 0.987 276 S HN 0.251 nan 8.310 nan 0.000 0.512 277 A N 1.385 124.226 122.820 0.034 0.000 2.067 277 A HA -0.003 4.315 4.320 -0.004 0.000 0.219 277 A C 1.352 178.946 177.584 0.016 0.000 1.158 277 A CA 1.307 53.359 52.037 0.025 0.000 0.661 277 A CB -0.629 18.383 19.000 0.020 0.000 0.801 277 A HN 0.943 nan 8.150 nan 0.000 0.452 278 D N -2.976 117.432 120.400 0.014 0.000 2.479 278 D HA 0.305 4.943 4.640 -0.004 0.000 0.218 278 D C 0.925 177.221 176.300 -0.006 0.000 1.177 278 D CA 0.445 54.445 54.000 0.000 0.000 0.830 278 D CB -0.660 40.136 40.800 -0.007 0.000 1.014 278 D HN 0.668 nan 8.370 nan 0.000 0.503 279 G N 0.589 109.395 108.800 0.009 0.000 2.198 279 G HA2 -0.251 3.707 3.960 -0.004 0.000 0.257 279 G HA3 -0.251 3.707 3.960 -0.004 0.000 0.257 279 G C -0.151 174.743 174.900 -0.010 0.000 1.042 279 G CA -0.045 45.052 45.100 -0.004 0.000 0.791 279 G HN 0.346 nan 8.290 nan 0.000 0.502 280 Q N -1.521 118.298 119.800 0.032 0.000 2.297 280 Q HA 0.457 4.795 4.340 -0.004 0.000 0.269 280 Q C 0.854 176.942 176.000 0.146 0.000 1.051 280 Q CA -0.893 54.941 55.803 0.051 0.000 0.869 280 Q CB 1.142 29.894 28.738 0.023 0.000 1.346 280 Q HN 0.365 nan 8.270 nan 0.000 0.457 281 Y N 0.380 120.658 120.300 -0.037 0.000 2.231 281 Y HA -0.092 4.455 4.550 -0.004 0.000 0.294 281 Y C 0.721 176.492 175.900 -0.214 0.000 1.120 281 Y CA 0.429 58.475 58.100 -0.089 0.000 1.141 281 Y CB 0.767 39.107 38.460 -0.200 0.000 1.022 281 Y HN 0.563 nan 8.280 nan 0.000 0.523 282 D N 2.010 122.338 120.400 -0.121 0.000 2.608 282 D HA 0.093 4.731 4.640 -0.004 0.000 0.224 282 D C -0.975 175.241 176.300 -0.140 0.000 1.123 282 D CA 0.272 54.112 54.000 -0.266 0.000 1.030 282 D CB -0.332 40.340 40.800 -0.213 0.000 1.093 282 D HN 0.144 nan 8.370 nan 0.000 0.497 283 R N 1.617 122.052 120.500 -0.109 0.000 2.584 283 R HA 0.186 4.524 4.340 -0.004 0.000 0.276 283 R C -1.110 175.243 176.300 0.088 0.000 1.046 283 R CA -0.790 55.322 56.100 0.021 0.000 0.906 283 R CB 1.478 31.839 30.300 0.103 0.000 1.215 283 R HN 0.173 nan 8.270 nan 0.000 0.449 284 D N 2.693 123.131 120.400 0.064 0.000 2.339 284 D HA 0.194 4.832 4.640 -0.004 0.000 0.241 284 D C -0.188 176.170 176.300 0.098 0.000 1.183 284 D CA -0.226 53.830 54.000 0.093 0.000 0.859 284 D CB 0.893 41.725 40.800 0.053 0.000 1.067 284 D HN 0.295 nan 8.370 nan 0.000 0.484 285 V N 1.399 121.385 119.914 0.119 0.000 2.612 285 V HA 0.534 4.652 4.120 -0.004 0.000 0.301 285 V C 0.151 176.262 176.094 0.028 0.000 1.046 285 V CA -0.962 61.377 62.300 0.065 0.000 0.946 285 V CB 1.671 33.519 31.823 0.042 0.000 1.003 285 V HN 0.478 nan 8.190 nan 0.000 0.459 286 E N 2.911 123.124 120.200 0.021 0.000 2.259 286 E HA 0.505 4.853 4.350 -0.004 0.000 0.281 286 E C -0.993 175.606 176.600 -0.001 0.000 1.027 286 E CA -0.647 55.760 56.400 0.012 0.000 0.838 286 E CB 1.230 30.939 29.700 0.017 0.000 1.066 286 E HN 0.771 nan 8.360 nan 0.000 0.401 287 I N 6.583 127.147 120.570 -0.009 0.000 2.321 287 I HA 0.271 4.439 4.170 -0.004 0.000 0.291 287 I C -2.020 174.096 176.117 -0.003 0.000 0.998 287 I CA -2.352 58.937 61.300 -0.019 0.000 1.227 287 I CB 1.295 39.270 38.000 -0.041 0.000 1.368 287 I HN 0.412 nan 8.210 nan 0.000 0.466 288 P HA 0.044 nan 4.420 nan 0.000 0.268 288 P C 0.484 177.792 177.300 0.014 0.000 1.205 288 P CA -0.126 62.982 63.100 0.013 0.000 0.771 288 P CB 0.875 32.586 31.700 0.019 0.000 0.858 289 E N 2.000 122.208 120.200 0.014 0.000 2.097 289 E HA -0.255 4.093 4.350 -0.004 0.000 0.196 289 E C 1.644 178.256 176.600 0.019 0.000 1.000 289 E CA 1.678 58.085 56.400 0.012 0.000 0.804 289 E CB -0.341 29.365 29.700 0.009 0.000 0.740 289 E HN 0.610 nan 8.360 nan 0.000 0.454 290 E N -1.235 118.981 120.200 0.026 0.000 2.153 290 E HA -0.156 4.192 4.350 -0.004 0.000 0.194 290 E C 1.566 178.213 176.600 0.079 0.000 0.988 290 E CA 1.583 58.006 56.400 0.039 0.000 0.811 290 E CB 0.001 29.726 29.700 0.041 0.000 0.746 290 E HN 0.243 nan 8.360 nan 0.000 0.466 291 T N 0.155 114.750 114.554 0.069 0.000 2.857 291 T HA -0.107 4.241 4.350 -0.004 0.000 0.266 291 T C 1.745 176.482 174.700 0.061 0.000 1.048 291 T CA 1.133 63.282 62.100 0.081 0.000 1.139 291 T CB -0.181 68.707 68.868 0.034 0.000 0.874 291 T HN 0.080 nan 8.240 nan 0.000 0.455 292 R N 1.379 121.894 120.500 0.025 0.000 2.096 292 R HA -0.070 4.268 4.340 -0.004 0.000 0.240 292 R C 2.167 178.481 176.300 0.024 0.000 1.139 292 R CA 1.474 57.578 56.100 0.006 0.000 0.952 292 R CB -1.184 29.116 30.300 0.000 0.000 0.854 292 R HN 0.226 nan 8.270 nan 0.000 0.436 293 V N 0.017 119.949 119.914 0.030 0.000 2.392 293 V HA -0.279 3.839 4.120 -0.004 0.000 0.249 293 V C 1.997 178.118 176.094 0.046 0.000 1.059 293 V CA 2.115 64.422 62.300 0.013 0.000 1.051 293 V CB -0.634 31.177 31.823 -0.021 0.000 0.658 293 V HN 0.412 nan 8.190 nan 0.000 0.455 294 Y N -0.349 119.935 120.300 -0.028 0.000 2.153 294 Y HA -0.174 4.374 4.550 -0.004 0.000 0.289 294 Y C 2.405 178.277 175.900 -0.047 0.000 1.127 294 Y CA 1.307 59.392 58.100 -0.026 0.000 1.131 294 Y CB 0.053 38.506 38.460 -0.011 0.000 0.995 294 Y HN 0.132 nan 8.280 nan 0.000 0.505 295 L N -0.242 121.049 121.223 0.113 0.000 2.079 295 L HA -0.277 4.061 4.340 -0.004 0.000 0.210 295 L C 1.847 178.707 176.870 -0.016 0.000 1.081 295 L CA 1.232 56.043 54.840 -0.049 0.000 0.752 295 L CB -0.521 41.430 42.059 -0.180 0.000 0.896 295 L HN 0.248 nan 8.230 nan 0.000 0.433 296 D N -0.226 120.179 120.400 0.009 0.000 2.178 296 D HA -0.200 4.438 4.640 -0.004 0.000 0.201 296 D C 2.252 178.564 176.300 0.020 0.000 0.980 296 D CA 1.018 55.023 54.000 0.008 0.000 0.842 296 D CB -0.038 40.765 40.800 0.006 0.000 0.948 296 D HN 0.234 nan 8.370 nan 0.000 0.472 297 R N 0.024 120.549 120.500 0.042 0.000 2.240 297 R HA 0.078 4.416 4.340 -0.004 0.000 0.203 297 R C 1.747 178.084 176.300 0.062 0.000 1.011 297 R CA 0.441 56.567 56.100 0.043 0.000 1.007 297 R CB 0.104 30.420 30.300 0.027 0.000 0.911 297 R HN 0.171 nan 8.270 nan 0.000 0.468 298 L N 0.614 121.880 121.223 0.072 0.000 2.556 298 L HA 0.114 4.452 4.340 -0.004 0.000 0.226 298 L C 1.981 178.869 176.870 0.031 0.000 1.089 298 L CA 0.156 55.032 54.840 0.060 0.000 0.864 298 L CB 0.015 42.112 42.059 0.063 0.000 1.067 298 L HN 0.150 nan 8.230 nan 0.000 0.477 299 K N 0.089 120.496 120.400 0.012 0.000 2.211 299 K HA -0.143 4.175 4.320 -0.004 0.000 0.204 299 K C 1.107 177.734 176.600 0.044 0.000 1.047 299 K CA 1.191 57.489 56.287 0.018 0.000 0.935 299 K CB -0.044 32.464 32.500 0.013 0.000 0.728 299 K HN 0.185 nan 8.250 nan 0.000 0.452 300 E N 0.853 121.077 120.200 0.040 0.000 2.479 300 E HA 0.026 4.374 4.350 -0.004 0.000 0.193 300 E C 1.114 177.741 176.600 0.046 0.000 1.049 300 E CA 0.306 56.733 56.400 0.043 0.000 0.870 300 E CB 0.427 30.147 29.700 0.034 0.000 0.944 300 E HN 0.431 nan 8.360 nan 0.000 0.492 301 R N 0.016 120.545 120.500 0.049 0.000 2.437 301 R HA 0.254 4.592 4.340 -0.004 0.000 0.257 301 R C 0.193 176.530 176.300 0.063 0.000 0.927 301 R CA 0.020 56.150 56.100 0.051 0.000 1.078 301 R CB 1.583 31.910 30.300 0.045 0.000 1.161 301 R HN -0.136 nan 8.270 nan 0.000 0.529 302 V N 0.428 120.385 119.914 0.071 0.000 2.969 302 V HA 0.281 4.399 4.120 -0.004 0.000 0.304 302 V C -1.223 174.930 176.094 0.097 0.000 1.192 302 V CA -0.558 61.793 62.300 0.085 0.000 0.962 302 V CB 2.610 34.494 31.823 0.101 0.000 1.045 302 V HN -0.004 nan 8.190 nan 0.000 0.428 303 T N 7.275 121.887 114.554 0.096 0.000 2.743 303 T HA 0.518 4.866 4.350 -0.004 0.000 0.293 303 T C -0.155 174.633 174.700 0.147 0.000 0.945 303 T CA -0.097 62.072 62.100 0.115 0.000 1.030 303 T CB 0.428 69.348 68.868 0.087 0.000 0.912 303 T HN 0.494 nan 8.240 nan 0.000 0.483 304 L N 3.620 124.972 121.223 0.216 0.000 2.331 304 L HA 0.431 4.769 4.340 -0.004 0.000 0.278 304 L C -0.137 176.923 176.870 0.317 0.000 1.106 304 L CA -0.828 54.203 54.840 0.318 0.000 0.824 304 L CB 0.825 43.140 42.059 0.428 0.000 1.142 304 L HN 0.321 nan 8.230 nan 0.000 0.443 305 V N 3.547 123.667 119.914 0.344 0.000 2.328 305 V HA 0.126 4.244 4.120 -0.004 0.000 0.278 305 V C -0.434 175.994 176.094 0.557 0.000 1.021 305 V CA -0.661 61.852 62.300 0.355 0.000 0.838 305 V CB 0.956 32.907 31.823 0.214 0.000 0.999 305 V HN 0.430 nan 8.190 nan 0.000 0.447 306 Y N 7.402 127.815 120.300 0.188 0.000 2.436 306 Y HA 0.372 4.920 4.550 -0.004 0.000 0.343 306 Y C -0.183 175.723 175.900 0.011 0.000 1.008 306 Y CA -1.857 56.221 58.100 -0.038 0.000 1.241 306 Y CB 0.467 38.516 38.460 -0.686 0.000 1.153 306 Y HN 0.724 nan 8.280 nan 0.000 0.521 307 W N 7.183 128.442 121.300 -0.069 0.000 2.478 307 W HA 0.616 5.274 4.660 -0.004 0.000 0.318 307 W C -1.530 174.582 176.519 -0.679 0.000 1.062 307 W CA -0.994 56.039 57.345 -0.521 0.000 1.210 307 W CB 1.701 31.016 29.460 -0.241 0.000 1.325 307 W HN 0.533 nan 8.180 nan 0.000 0.496 308 D N 3.362 123.260 120.400 -0.837 0.000 2.688 308 D HA 0.159 4.796 4.640 -0.004 0.000 0.210 308 D C -1.288 174.834 176.300 -0.295 0.000 1.333 308 D CA -0.415 53.321 54.000 -0.440 0.000 0.920 308 D CB 0.777 41.505 40.800 -0.119 0.000 1.554 308 D HN 0.328 nan 8.370 nan 0.000 0.579 309 Y N 2.408 122.654 120.300 -0.090 0.000 2.584 309 Y HA 0.259 4.807 4.550 -0.004 0.000 0.254 309 Y C 0.540 176.665 175.900 0.374 0.000 1.177 309 Y CA -0.216 57.944 58.100 0.100 0.000 1.216 309 Y CB 0.102 38.509 38.460 -0.089 0.000 1.172 309 Y HN 0.352 nan 8.280 nan 0.000 0.529 310 Y N -1.462 119.319 120.300 0.801 0.000 2.526 310 Y HA 0.241 4.790 4.550 -0.003 0.000 0.265 310 Y C 0.734 176.902 175.900 0.446 0.000 1.092 310 Y CA -0.768 57.751 58.100 0.698 0.000 1.277 310 Y CB 0.249 39.024 38.460 0.525 0.000 1.228 310 Y HN -0.187 nan 8.280 nan 0.000 0.507 311 Q N 2.050 122.055 119.800 0.341 0.000 2.293 311 Q HA 0.099 4.437 4.340 -0.004 0.000 0.251 311 Q C -0.038 176.047 176.000 0.141 0.000 0.930 311 Q CA 0.123 55.930 55.803 0.007 0.000 0.893 311 Q CB 1.131 29.450 28.738 -0.697 0.000 1.215 311 Q HN 0.479 nan 8.270 nan 0.000 0.425 312 D N -1.134 119.334 120.400 0.114 0.000 2.342 312 D HA 0.010 4.647 4.640 -0.004 0.000 0.221 312 D C -0.302 176.064 176.300 0.110 0.000 1.101 312 D CA -0.246 53.822 54.000 0.114 0.000 0.837 312 D CB 0.280 41.138 40.800 0.097 0.000 0.938 312 D HN 0.269 nan 8.370 nan 0.000 0.508 313 S N -1.734 114.033 115.700 0.112 0.000 2.536 313 S HA 0.270 4.738 4.470 -0.004 0.000 0.271 313 S C 0.660 175.381 174.600 0.202 0.000 1.134 313 S CA -0.847 57.427 58.200 0.123 0.000 0.897 313 S CB 2.328 65.569 63.200 0.068 0.000 1.094 313 S HN -0.038 nan 8.310 nan 0.000 0.473 314 E N 1.451 121.781 120.200 0.217 0.000 2.097 314 E HA -0.240 4.108 4.350 -0.004 0.000 0.196 314 E C 1.306 178.047 176.600 0.236 0.000 1.000 314 E CA 1.810 58.370 56.400 0.267 0.000 0.804 314 E CB -0.154 29.636 29.700 0.150 0.000 0.740 314 E HN 0.842 nan 8.360 nan 0.000 0.454 315 E N 0.146 120.428 120.200 0.136 0.000 2.153 315 E HA -0.193 4.155 4.350 -0.004 0.000 0.194 315 E C 2.107 178.752 176.600 0.076 0.000 0.988 315 E CA 1.043 57.504 56.400 0.101 0.000 0.811 315 E CB 0.030 29.767 29.700 0.063 0.000 0.746 315 E HN 0.244 nan 8.360 nan 0.000 0.466 316 K N -0.029 120.383 120.400 0.020 0.000 2.097 316 K HA -0.146 4.172 4.320 -0.004 0.000 0.205 316 K C 1.923 178.462 176.600 -0.103 0.000 1.050 316 K CA 1.279 57.516 56.287 -0.083 0.000 0.938 316 K CB -0.164 32.234 32.500 -0.171 0.000 0.718 316 K HN 0.193 nan 8.250 nan 0.000 0.442 317 Y N 1.274 121.652 120.300 0.130 0.000 2.200 317 Y HA -0.148 4.400 4.550 -0.003 0.000 0.290 317 Y C 1.912 177.938 175.900 0.210 0.000 1.137 317 Y CA 1.218 59.430 58.100 0.185 0.000 1.163 317 Y CB -0.426 38.163 38.460 0.214 0.000 0.988 317 Y HN 0.170 nan 8.280 nan 0.000 0.518 318 N N -0.038 118.885 118.700 0.372 0.000 2.104 318 N HA -0.242 4.495 4.740 -0.004 0.000 0.190 318 N C 1.922 177.551 175.510 0.198 0.000 1.024 318 N CA 1.134 54.378 53.050 0.323 0.000 0.853 318 N CB -0.209 38.398 38.487 0.201 0.000 1.008 318 N HN 0.221 nan 8.380 nan 0.000 0.424 319 R N 1.283 121.836 120.500 0.089 0.000 2.083 319 R HA -0.053 4.285 4.340 -0.004 0.000 0.237 319 R C 1.728 177.985 176.300 -0.071 0.000 1.137 319 R CA 1.393 57.501 56.100 0.013 0.000 0.951 319 R CB -0.026 30.260 30.300 -0.023 0.000 0.851 319 R HN 0.262 nan 8.270 nan 0.000 0.434 320 N N -0.393 118.182 118.700 -0.209 0.000 2.188 320 N HA -0.146 4.592 4.740 -0.004 0.000 0.184 320 N C 1.554 176.767 175.510 -0.495 0.000 1.018 320 N CA 1.225 53.956 53.050 -0.532 0.000 0.858 320 N CB -0.246 37.648 38.487 -0.989 0.000 0.989 320 N HN 0.158 nan 8.380 nan 0.000 0.426 321 F N 2.062 121.848 119.950 -0.274 0.000 2.171 321 F HA -0.112 4.413 4.527 -0.003 0.000 0.300 321 F C 2.568 178.295 175.800 -0.122 0.000 1.090 321 F CA 1.052 58.915 58.000 -0.228 0.000 1.293 321 F CB -0.448 38.508 39.000 -0.073 0.000 1.013 321 F HN 0.075 nan 8.300 nan 0.000 0.486 322 Q N -0.175 119.736 119.800 0.185 0.000 2.084 322 Q HA -0.189 4.149 4.340 -0.004 0.000 0.202 322 Q C 1.991 178.083 176.000 0.153 0.000 0.978 322 Q CA 1.419 57.340 55.803 0.195 0.000 0.844 322 Q CB -0.309 28.517 28.738 0.146 0.000 0.898 322 Q HN 0.346 nan 8.270 nan 0.000 0.426 323 N N 0.209 118.956 118.700 0.078 0.000 2.069 323 N HA -0.175 4.562 4.740 -0.004 0.000 0.191 323 N C 1.528 177.162 175.510 0.207 0.000 1.031 323 N CA 1.488 54.600 53.050 0.104 0.000 0.852 323 N CB -0.471 37.990 38.487 -0.044 0.000 1.018 323 N HN 0.375 nan 8.380 nan 0.000 0.423 324 H N -0.711 118.402 119.070 0.071 0.000 2.389 324 H HA 0.040 4.594 4.556 -0.004 0.000 0.299 324 H C 1.495 176.922 175.328 0.166 0.000 1.081 324 H CA 1.320 57.479 56.048 0.186 0.000 1.345 324 H CB -0.245 29.510 29.762 -0.013 0.000 1.393 324 H HN 0.522 nan 8.280 nan 0.000 0.520 325 H N -0.292 118.952 119.070 0.290 0.000 2.546 325 H HA 0.014 4.568 4.556 -0.003 0.000 0.277 325 H C 1.578 176.982 175.328 0.128 0.000 1.004 325 H CA 0.294 56.461 56.048 0.199 0.000 1.231 325 H CB 0.361 30.227 29.762 0.175 0.000 1.382 325 H HN 0.230 nan 8.280 nan 0.000 0.580 326 K N 0.117 120.651 120.400 0.223 0.000 2.288 326 K HA -0.031 4.287 4.320 -0.004 0.000 0.201 326 K C 1.342 177.986 176.600 0.073 0.000 1.048 326 K CA 0.789 57.152 56.287 0.125 0.000 0.956 326 K CB 0.371 32.930 32.500 0.098 0.000 0.746 326 K HN 0.352 nan 8.250 nan 0.000 0.461 327 I N -1.196 119.418 120.570 0.074 0.000 2.729 327 I HA -0.035 4.133 4.170 -0.004 0.000 0.256 327 I C 0.842 176.981 176.117 0.037 0.000 1.115 327 I CA 0.092 61.385 61.300 -0.012 0.000 1.446 327 I CB 0.654 38.581 38.000 -0.122 0.000 1.176 327 I HN -0.121 nan 8.210 nan 0.000 0.446 328 S N -0.903 114.878 115.700 0.135 0.000 2.537 328 S HA 0.261 4.729 4.470 -0.004 0.000 0.270 328 S C -0.020 174.750 174.600 0.283 0.000 1.142 328 S CA -0.629 57.665 58.200 0.157 0.000 0.870 328 S CB 1.623 64.902 63.200 0.132 0.000 1.112 328 S HN 0.033 nan 8.310 nan 0.000 0.466 329 Q N 1.243 121.174 119.800 0.218 0.000 2.311 329 Q HA 0.072 4.410 4.340 -0.004 0.000 0.203 329 Q C -0.188 175.979 176.000 0.278 0.000 0.954 329 Q CA 0.741 56.681 55.803 0.229 0.000 0.885 329 Q CB -0.238 28.547 28.738 0.079 0.000 0.963 329 Q HN 0.697 nan 8.270 nan 0.000 0.471 330 D N 0.847 121.384 120.400 0.228 0.000 2.524 330 D HA 0.144 4.782 4.640 -0.004 0.000 0.222 330 D C -0.887 175.558 176.300 0.241 0.000 1.142 330 D CA -0.144 53.977 54.000 0.202 0.000 0.973 330 D CB -0.055 40.830 40.800 0.142 0.000 1.025 330 D HN -0.134 nan 8.370 nan 0.000 0.519 331 I N 2.567 123.315 120.570 0.297 0.000 2.382 331 I HA 0.480 4.648 4.170 -0.004 0.000 0.286 331 I C 0.563 176.869 176.117 0.314 0.000 1.002 331 I CA -1.123 60.364 61.300 0.311 0.000 1.135 331 I CB 0.601 38.786 38.000 0.307 0.000 1.288 331 I HN 0.243 nan 8.210 nan 0.000 0.448 332 A N 6.496 129.478 122.820 0.270 0.000 2.264 332 A HA 0.748 5.066 4.320 -0.004 0.000 0.304 332 A C -1.125 176.653 177.584 0.323 0.000 1.100 332 A CA -0.386 51.794 52.037 0.239 0.000 0.839 332 A CB 1.035 20.115 19.000 0.132 0.000 1.121 332 A HN 0.581 nan 8.150 nan 0.000 0.496 333 F N 0.386 120.391 119.950 0.092 0.000 2.520 333 F HA 0.625 5.150 4.527 -0.004 0.000 0.322 333 F C 0.086 175.861 175.800 -0.041 0.000 1.103 333 F CA -0.471 57.548 58.000 0.032 0.000 0.926 333 F CB 1.673 40.721 39.000 0.080 0.000 1.154 333 F HN 0.679 nan 8.300 nan 0.000 0.453 334 A N 4.233 126.530 122.820 -0.871 0.000 2.287 334 A HA 0.740 5.057 4.320 -0.004 0.000 0.317 334 A C -0.237 176.809 177.584 -0.897 0.000 1.220 334 A CA -0.114 51.592 52.037 -0.551 0.000 0.835 334 A CB 0.422 19.450 19.000 0.047 0.000 1.180 334 A HN 1.036 nan 8.150 nan 0.000 0.500 335 G N 0.655 109.216 108.800 -0.398 0.000 2.597 335 G HA2 0.616 4.574 3.960 -0.004 0.000 0.317 335 G HA3 0.616 4.574 3.960 -0.004 0.000 0.317 335 G C 0.012 175.184 174.900 0.453 0.000 1.230 335 G CA -0.276 44.937 45.100 0.188 0.000 0.996 335 G HN 1.118 nan 8.290 nan 0.000 0.490 336 G N -1.207 108.023 108.800 0.717 0.000 2.379 336 G HA2 0.635 4.592 3.960 -0.004 0.000 0.327 336 G HA3 0.635 4.592 3.960 -0.004 0.000 0.327 336 G C -0.328 174.871 174.900 0.498 0.000 1.145 336 G CA 0.034 45.405 45.100 0.451 0.000 0.905 336 G HN 1.077 nan 8.290 nan 0.000 0.466 337 A N 2.122 125.153 122.820 0.352 0.000 2.412 337 A HA 0.486 4.804 4.320 -0.004 0.000 0.334 337 A C -0.777 176.910 177.584 0.170 0.000 1.419 337 A CA -0.751 51.482 52.037 0.327 0.000 0.930 337 A CB -0.048 19.126 19.000 0.290 0.000 1.149 337 A HN 0.657 nan 8.150 nan 0.000 0.515 338 W N 2.704 123.927 121.300 -0.127 0.000 2.688 338 W HA 0.282 4.939 4.660 -0.004 0.000 0.402 338 W C 1.098 177.388 176.519 -0.381 0.000 1.188 338 W CA 0.268 57.209 57.345 -0.672 0.000 1.561 338 W CB 0.435 29.639 29.460 -0.427 0.000 1.653 338 W HN 0.720 nan 8.180 nan 0.000 0.442 339 K N 1.836 122.132 120.400 -0.174 0.000 2.706 339 K HA 0.199 4.517 4.320 -0.004 0.000 0.203 339 K C -0.008 176.696 176.600 0.173 0.000 1.102 339 K CA -0.565 55.761 56.287 0.064 0.000 1.058 339 K CB -0.562 32.026 32.500 0.147 0.000 0.779 339 K HN 0.433 nan 8.250 nan 0.000 0.483 340 W N 1.366 122.731 121.300 0.108 0.000 2.771 340 W HA 0.398 5.056 4.660 -0.004 0.000 0.412 340 W C 0.125 176.710 176.519 0.109 0.000 0.965 340 W CA -0.948 56.435 57.345 0.065 0.000 2.045 340 W CB -0.158 29.288 29.460 -0.022 0.000 1.176 340 W HN 0.105 nan 8.180 nan 0.000 0.634 341 I N -1.039 119.609 120.570 0.129 0.000 3.424 341 I HA 0.868 5.036 4.170 -0.004 0.000 0.339 341 I C 0.686 176.890 176.117 0.144 0.000 1.549 341 I CA 0.012 61.410 61.300 0.163 0.000 1.049 341 I CB -0.019 38.073 38.000 0.153 0.000 1.439 341 I HN 0.201 nan 8.210 nan 0.000 0.500 342 G N 1.777 110.645 108.800 0.114 0.000 2.390 342 G HA2 -0.189 3.768 3.960 -0.004 0.000 0.202 342 G HA3 -0.189 3.768 3.960 -0.004 0.000 0.202 342 G C -0.269 174.588 174.900 -0.071 0.000 1.210 342 G CA -0.049 45.083 45.100 0.054 0.000 1.271 342 G HN 0.147 nan 8.290 nan 0.000 0.543 343 F N 2.149 122.163 119.950 0.107 0.000 2.731 343 F HA 0.421 4.946 4.527 -0.004 0.000 0.298 343 F C 1.184 177.065 175.800 0.135 0.000 1.106 343 F CA 1.036 59.129 58.000 0.156 0.000 1.329 343 F CB 1.231 40.324 39.000 0.155 0.000 1.100 343 F HN 0.292 nan 8.300 nan 0.000 0.592 344 T N 2.925 117.618 114.554 0.231 0.000 2.848 344 T HA 0.322 4.670 4.350 -0.004 0.000 0.285 344 T C -2.531 172.227 174.700 0.097 0.000 0.995 344 T CA -1.495 60.685 62.100 0.134 0.000 0.970 344 T CB 2.553 71.471 68.868 0.083 0.000 0.976 344 T HN -0.259 nan 8.240 nan 0.000 0.441 345 P HA 0.238 nan 4.420 nan 0.000 0.289 345 P C -0.769 176.600 177.300 0.115 0.000 1.299 345 P CA -0.386 62.778 63.100 0.107 0.000 0.766 345 P CB 0.844 32.615 31.700 0.118 0.000 1.226 346 H N 0.531 119.662 119.070 0.102 0.000 2.429 346 H HA 0.233 4.787 4.556 -0.004 0.000 0.231 346 H C 0.812 176.236 175.328 0.159 0.000 1.416 346 H CA -0.285 55.822 56.048 0.097 0.000 1.443 346 H CB -0.397 29.350 29.762 -0.025 0.000 1.591 346 H HN 0.296 nan 8.280 nan 0.000 0.507 347 N N 0.518 119.396 118.700 0.297 0.000 2.166 347 N HA -0.148 4.590 4.740 -0.004 0.000 0.186 347 N C 1.042 176.673 175.510 0.202 0.000 1.019 347 N CA 0.990 54.162 53.050 0.204 0.000 0.856 347 N CB 0.201 38.723 38.487 0.058 0.000 0.993 347 N HN 0.608 nan 8.380 nan 0.000 0.426 348 H N -0.127 119.078 119.070 0.224 0.000 2.319 348 H HA -0.083 4.470 4.556 -0.004 0.000 0.299 348 H C 1.730 177.143 175.328 0.141 0.000 1.092 348 H CA 1.516 57.682 56.048 0.196 0.000 1.302 348 H CB -0.422 29.482 29.762 0.236 0.000 1.373 348 H HN 0.187 nan 8.280 nan 0.000 0.497 349 F N 0.924 120.931 119.950 0.096 0.000 2.146 349 F HA -0.182 4.343 4.527 -0.003 0.000 0.298 349 F C 2.388 178.090 175.800 -0.164 0.000 1.096 349 F CA 1.161 58.952 58.000 -0.347 0.000 1.275 349 F CB -0.322 38.023 39.000 -1.093 0.000 1.008 349 F HN -0.025 nan 8.300 nan 0.000 0.480 350 S N 0.496 116.227 115.700 0.051 0.000 2.374 350 S HA -0.291 4.177 4.470 -0.004 0.000 0.227 350 S C 2.095 176.714 174.600 0.032 0.000 1.037 350 S CA 1.648 59.968 58.200 0.200 0.000 1.024 350 S CB -0.516 62.896 63.200 0.354 0.000 0.861 350 S HN 0.457 nan 8.310 nan 0.000 0.456 351 R N 0.961 121.450 120.500 -0.017 0.000 2.073 351 R HA 0.001 4.339 4.340 -0.004 0.000 0.234 351 R C 2.433 178.644 176.300 -0.148 0.000 1.134 351 R CA 1.291 57.343 56.100 -0.080 0.000 0.952 351 R CB -0.488 29.787 30.300 -0.042 0.000 0.850 351 R HN 0.446 nan 8.270 nan 0.000 0.433 352 L N 1.029 122.141 121.223 -0.186 0.000 2.012 352 L HA -0.164 4.174 4.340 -0.004 0.000 0.210 352 L C 2.300 179.041 176.870 -0.214 0.000 1.073 352 L CA 1.930 56.645 54.840 -0.208 0.000 0.748 352 L CB -0.205 41.696 42.059 -0.264 0.000 0.891 352 L HN 0.293 nan 8.230 nan 0.000 0.431 353 V N -3.016 116.719 119.914 -0.298 0.000 2.591 353 V HA 0.022 4.140 4.120 -0.004 0.000 0.249 353 V C 2.566 178.655 176.094 -0.009 0.000 1.053 353 V CA 1.130 63.384 62.300 -0.075 0.000 1.068 353 V CB -1.277 30.551 31.823 0.008 0.000 0.689 353 V HN 0.400 nan 8.190 nan 0.000 0.462 354 A N 1.140 123.888 122.820 -0.119 0.000 1.908 354 A HA -0.104 4.214 4.320 -0.004 0.000 0.218 354 A C 2.191 179.478 177.584 -0.495 0.000 1.181 354 A CA 2.270 54.048 52.037 -0.433 0.000 0.627 354 A CB -0.741 17.756 19.000 -0.839 0.000 0.818 354 A HN 0.580 nan 8.150 nan 0.000 0.445 355 I N -0.326 120.059 120.570 -0.307 0.000 2.208 355 I HA -0.250 3.918 4.170 -0.004 0.000 0.245 355 I C 2.443 178.474 176.117 -0.144 0.000 1.097 355 I CA 1.475 62.643 61.300 -0.220 0.000 1.363 355 I CB -0.299 37.620 38.000 -0.136 0.000 1.051 355 I HN 0.303 nan 8.210 nan 0.000 0.413 356 E N 0.745 120.902 120.200 -0.071 0.000 2.112 356 E HA -0.095 4.253 4.350 -0.004 0.000 0.190 356 E C 2.340 178.891 176.600 -0.082 0.000 0.979 356 E CA 1.245 57.661 56.400 0.027 0.000 0.814 356 E CB -0.274 29.540 29.700 0.190 0.000 0.762 356 E HN 0.483 nan 8.360 nan 0.000 0.460 357 A N 1.834 124.457 122.820 -0.328 0.000 1.933 357 A HA -0.236 4.082 4.320 -0.004 0.000 0.218 357 A C 2.053 179.467 177.584 -0.283 0.000 1.175 357 A CA 1.881 53.481 52.037 -0.729 0.000 0.628 357 A CB -0.768 17.896 19.000 -0.560 0.000 0.814 357 A HN 0.295 nan 8.150 nan 0.000 0.444 358 N N -0.202 118.423 118.700 -0.125 0.000 2.166 358 N HA -0.179 4.559 4.740 -0.004 0.000 0.186 358 N C 1.589 177.128 175.510 0.048 0.000 1.019 358 N CA 2.043 55.136 53.050 0.071 0.000 0.856 358 N CB -0.264 38.182 38.487 -0.068 0.000 0.993 358 N HN 0.537 nan 8.380 nan 0.000 0.426 359 K N -0.244 120.143 120.400 -0.021 0.000 2.032 359 K HA -0.065 4.253 4.320 -0.004 0.000 0.209 359 K C 2.089 178.692 176.600 0.005 0.000 1.048 359 K CA 1.399 57.687 56.287 0.001 0.000 0.927 359 K CB -0.285 32.222 32.500 0.011 0.000 0.712 359 K HN 0.296 nan 8.250 nan 0.000 0.441 360 A N 0.991 123.813 122.820 0.004 0.000 1.898 360 A HA -0.172 4.146 4.320 -0.004 0.000 0.216 360 A C 2.425 179.916 177.584 -0.155 0.000 1.181 360 A CA 1.448 53.504 52.037 0.031 0.000 0.620 360 A CB -0.977 18.156 19.000 0.222 0.000 0.819 360 A HN 0.424 nan 8.150 nan 0.000 0.442 361 C N -0.953 118.254 119.300 -0.155 0.000 2.413 361 C HA -0.101 4.357 4.460 -0.004 0.000 0.276 361 C C 2.844 177.808 174.990 -0.044 0.000 1.248 361 C CA 1.209 60.112 59.018 -0.192 0.000 1.742 361 C CB -1.382 26.369 27.740 0.018 0.000 2.017 361 C HN 0.613 nan 8.230 nan 0.000 0.481 362 R N 0.732 121.262 120.500 0.051 0.000 2.120 362 R HA -0.137 4.201 4.340 -0.004 0.000 0.234 362 R C 2.136 178.409 176.300 -0.046 0.000 1.123 362 R CA 1.285 57.386 56.100 0.001 0.000 0.975 362 R CB -0.226 30.060 30.300 -0.024 0.000 0.866 362 R HN 0.358 nan 8.270 nan 0.000 0.446 363 K N 0.327 120.688 120.400 -0.064 0.000 2.288 363 K HA 0.007 4.325 4.320 -0.004 0.000 0.201 363 K C 0.687 177.240 176.600 -0.079 0.000 1.048 363 K CA 1.039 57.293 56.287 -0.054 0.000 0.956 363 K CB 0.312 32.798 32.500 -0.023 0.000 0.746 363 K HN 0.076 nan 8.250 nan 0.000 0.461 364 N N 0.665 119.256 118.700 -0.182 0.000 2.282 364 N HA 0.014 4.752 4.740 -0.004 0.000 0.240 364 N C -0.856 174.607 175.510 -0.079 0.000 1.182 364 N CA 0.091 53.035 53.050 -0.177 0.000 0.874 364 N CB 1.136 39.270 38.487 -0.588 0.000 1.126 364 N HN 0.020 nan 8.380 nan 0.000 0.516 365 Q N -0.888 118.880 119.800 -0.055 0.000 2.481 365 Q HA -0.126 4.211 4.340 -0.004 0.000 0.272 365 Q C -0.244 175.796 176.000 0.066 0.000 1.157 365 Q CA 0.434 56.242 55.803 0.007 0.000 0.935 365 Q CB -2.697 26.038 28.738 -0.004 0.000 1.338 365 Q HN 0.158 nan 8.270 nan 0.000 0.494 366 V N 1.197 121.145 119.914 0.056 0.000 2.585 366 V HA -0.052 4.066 4.120 -0.004 0.000 0.296 366 V C 1.713 177.946 176.094 0.232 0.000 1.035 366 V CA 1.321 63.704 62.300 0.137 0.000 1.084 366 V CB 0.914 32.792 31.823 0.091 0.000 0.953 366 V HN 0.503 nan 8.190 nan 0.000 0.483 367 K N 3.193 123.707 120.400 0.190 0.000 2.354 367 K HA 0.291 4.609 4.320 -0.004 0.000 0.194 367 K C 0.481 177.189 176.600 0.180 0.000 1.038 367 K CA 0.090 56.494 56.287 0.195 0.000 1.052 367 K CB 0.881 33.458 32.500 0.128 0.000 0.861 367 K HN 0.641 nan 8.250 nan 0.000 0.535 368 E N 1.109 121.367 120.200 0.097 0.000 2.278 368 E HA 0.269 4.617 4.350 -0.004 0.000 0.272 368 E C -1.698 174.831 176.600 -0.117 0.000 0.890 368 E CA -0.875 55.532 56.400 0.012 0.000 0.770 368 E CB 2.209 31.928 29.700 0.032 0.000 1.212 368 E HN -0.006 nan 8.360 nan 0.000 0.415 369 V N 5.632 125.377 119.914 -0.281 0.000 2.459 369 V HA 0.441 4.559 4.120 -0.004 0.000 0.295 369 V C -0.361 175.580 176.094 -0.255 0.000 1.029 369 V CA -0.655 61.428 62.300 -0.362 0.000 0.874 369 V CB 1.424 32.793 31.823 -0.757 0.000 0.985 369 V HN 0.602 nan 8.190 nan 0.000 0.438 370 I N 5.179 125.622 120.570 -0.212 0.000 2.355 370 I HA 0.344 4.512 4.170 -0.004 0.000 0.288 370 I C -0.116 175.889 176.117 -0.186 0.000 0.999 370 I CA -0.321 60.896 61.300 -0.139 0.000 1.163 370 I CB 1.769 39.715 38.000 -0.090 0.000 1.316 370 I HN 0.271 nan 8.210 nan 0.000 0.454 371 V N 5.458 125.308 119.914 -0.107 0.000 2.408 371 V HA 0.270 4.388 4.120 -0.004 0.000 0.267 371 V C 0.492 176.567 176.094 -0.032 0.000 1.047 371 V CA -0.469 61.804 62.300 -0.045 0.000 0.937 371 V CB 0.796 32.711 31.823 0.154 0.000 0.999 371 V HN 0.832 nan 8.190 nan 0.000 0.472 372 T N 1.539 115.994 114.554 -0.166 0.000 2.749 372 T HA 0.575 4.922 4.350 -0.004 0.000 0.287 372 T C 0.441 174.855 174.700 -0.476 0.000 0.970 372 T CA -0.333 61.415 62.100 -0.587 0.000 0.980 372 T CB 1.470 69.785 68.868 -0.922 0.000 0.924 372 T HN 0.780 nan 8.240 nan 0.000 0.456 373 G N 3.241 111.764 108.800 -0.463 0.000 4.190 373 G HA2 0.438 4.396 3.960 -0.004 0.000 0.328 373 G HA3 0.438 4.396 3.960 -0.004 0.000 0.328 373 G C -0.215 174.581 174.900 -0.172 0.000 1.364 373 G CA -1.145 43.935 45.100 -0.035 0.000 1.259 373 G HN 0.779 nan 8.290 nan 0.000 0.525 374 W N 0.160 121.371 121.300 -0.148 0.000 2.073 374 W HA 0.392 5.050 4.660 -0.003 0.000 0.358 374 W C 1.199 177.738 176.519 0.034 0.000 1.321 374 W CA 0.434 57.599 57.345 -0.301 0.000 1.317 374 W CB 0.934 29.861 29.460 -0.887 0.000 1.226 374 W HN 0.334 nan 8.180 nan 0.000 0.622 375 G N 0.196 109.153 108.800 0.261 0.000 4.238 375 G HA2 0.058 4.016 3.960 -0.004 0.000 0.292 375 G HA3 0.058 4.016 3.960 -0.004 0.000 0.292 375 G C -0.847 174.165 174.900 0.186 0.000 1.036 375 G CA -0.582 44.652 45.100 0.223 0.000 0.812 375 G HN 0.364 nan 8.290 nan 0.000 0.489 376 D N 1.303 121.802 120.400 0.166 0.000 3.046 376 D HA -0.124 4.514 4.640 -0.004 0.000 0.213 376 D C 1.110 177.475 176.300 0.108 0.000 1.074 376 D CA 1.099 55.149 54.000 0.083 0.000 0.785 376 D CB 0.127 40.977 40.800 0.083 0.000 1.160 376 D HN 0.473 nan 8.370 nan 0.000 0.524 377 N N 1.306 120.051 118.700 0.076 0.000 2.783 377 N HA -0.233 4.505 4.740 -0.004 0.000 0.247 377 N C 0.667 176.213 175.510 0.059 0.000 1.089 377 N CA 0.767 53.865 53.050 0.080 0.000 0.690 377 N CB -1.070 37.486 38.487 0.115 0.000 0.991 377 N HN 0.829 nan 8.380 nan 0.000 0.552 378 G N -1.329 107.508 108.800 0.062 0.000 2.229 378 G HA2 0.041 3.999 3.960 -0.004 0.000 0.189 378 G HA3 0.041 3.999 3.960 -0.004 0.000 0.189 378 G C 0.740 175.736 174.900 0.160 0.000 1.000 378 G CA 0.676 45.809 45.100 0.055 0.000 0.663 378 G HN 1.469 nan 8.290 nan 0.000 0.493 379 G N 0.053 108.948 108.800 0.159 0.000 2.295 379 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.287 379 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.287 379 G C 0.547 175.618 174.900 0.286 0.000 1.055 379 G CA 1.185 46.411 45.100 0.210 0.000 0.922 379 G HN 0.801 nan 8.290 nan 0.000 0.503 380 E N -0.592 119.661 120.200 0.089 0.000 2.427 380 E HA 0.049 4.397 4.350 -0.004 0.000 0.196 380 E C 1.124 177.810 176.600 0.143 0.000 1.028 380 E CA 0.790 57.146 56.400 -0.073 0.000 0.864 380 E CB 0.235 29.328 29.700 -1.011 0.000 0.813 380 E HN 0.503 nan 8.360 nan 0.000 0.514 381 T N 0.439 115.088 114.554 0.157 0.000 2.882 381 T HA 0.143 4.491 4.350 -0.004 0.000 0.287 381 T C -0.017 174.802 174.700 0.200 0.000 0.992 381 T CA -0.477 61.746 62.100 0.206 0.000 1.076 381 T CB 1.639 70.599 68.868 0.154 0.000 0.961 381 T HN -0.050 nan 8.240 nan 0.000 0.490 382 S N 2.020 117.838 115.700 0.197 0.000 2.558 382 S HA -0.052 4.416 4.470 -0.004 0.000 0.291 382 S C 1.544 176.202 174.600 0.098 0.000 1.306 382 S CA -0.327 57.962 58.200 0.148 0.000 1.056 382 S CB 0.389 63.660 63.200 0.119 0.000 0.836 382 S HN 0.616 nan 8.310 nan 0.000 0.504 383 Q N 3.147 122.969 119.800 0.037 0.000 2.291 383 Q HA -0.077 4.261 4.340 -0.004 0.000 0.206 383 Q C 0.587 176.398 176.000 -0.315 0.000 0.976 383 Q CA 1.512 57.227 55.803 -0.148 0.000 0.875 383 Q CB -0.176 28.379 28.738 -0.304 0.000 0.927 383 Q HN 0.896 nan 8.270 nan 0.000 0.450 384 F N -0.121 119.899 119.950 0.116 0.000 2.639 384 F HA 0.082 4.607 4.527 -0.003 0.000 0.302 384 F C 2.011 177.860 175.800 0.081 0.000 1.097 384 F CA 0.046 58.100 58.000 0.089 0.000 1.294 384 F CB 0.231 39.349 39.000 0.197 0.000 1.027 384 F HN -0.028 nan 8.300 nan 0.000 0.550 385 S N -0.163 115.645 115.700 0.180 0.000 2.419 385 S HA -0.132 4.336 4.470 -0.004 0.000 0.233 385 S C 1.520 176.231 174.600 0.184 0.000 1.016 385 S CA 1.249 59.550 58.200 0.168 0.000 0.974 385 S CB -0.890 62.374 63.200 0.107 0.000 0.786 385 S HN 0.251 nan 8.310 nan 0.000 0.492 386 V N -1.124 118.839 119.914 0.081 0.000 3.271 386 V HA 0.438 4.556 4.120 -0.004 0.000 0.327 386 V C 1.488 177.541 176.094 -0.068 0.000 1.389 386 V CA -0.222 62.094 62.300 0.027 0.000 1.156 386 V CB -0.967 30.881 31.823 0.043 0.000 1.103 386 V HN 0.386 nan 8.190 nan 0.000 0.453 387 L N 0.204 121.337 121.223 -0.150 0.000 2.079 387 L HA -0.056 4.282 4.340 -0.004 0.000 0.210 387 L C 0.064 176.952 176.870 0.031 0.000 1.081 387 L CA 1.942 56.681 54.840 -0.168 0.000 0.752 387 L CB -1.756 40.082 42.059 -0.368 0.000 0.896 387 L HN 0.395 nan 8.230 nan 0.000 0.433 388 P HA -0.172 nan 4.420 nan 0.000 0.215 388 P C 1.554 178.913 177.300 0.098 0.000 1.157 388 P CA 1.838 64.838 63.100 -0.168 0.000 0.868 388 P CB -0.020 31.360 31.700 -0.533 0.000 0.788 389 A N -0.529 122.343 122.820 0.086 0.000 1.940 389 A HA -0.181 4.137 4.320 -0.004 0.000 0.219 389 A C 2.238 179.992 177.584 0.283 0.000 1.176 389 A CA 1.540 53.693 52.037 0.193 0.000 0.631 389 A CB -1.718 17.420 19.000 0.229 0.000 0.814 389 A HN 0.116 nan 8.150 nan 0.000 0.446 390 L N -1.373 119.970 121.223 0.200 0.000 2.093 390 L HA -0.206 4.132 4.340 -0.004 0.000 0.208 390 L C 2.838 179.962 176.870 0.424 0.000 1.085 390 L CA 1.673 56.674 54.840 0.269 0.000 0.755 390 L CB -0.476 41.533 42.059 -0.082 0.000 0.904 390 L HN 0.484 nan 8.230 nan 0.000 0.435 391 Q N 0.717 120.721 119.800 0.340 0.000 2.079 391 Q HA -0.161 4.177 4.340 -0.004 0.000 0.200 391 Q C 2.100 178.262 176.000 0.270 0.000 0.974 391 Q CA 1.569 57.580 55.803 0.347 0.000 0.840 391 Q CB -0.145 28.855 28.738 0.436 0.000 0.898 391 Q HN 0.431 nan 8.270 nan 0.000 0.430 392 I N -1.016 119.689 120.570 0.225 0.000 2.163 392 I HA -0.295 3.873 4.170 -0.004 0.000 0.243 392 I C 1.743 177.943 176.117 0.138 0.000 1.085 392 I CA 1.502 62.866 61.300 0.105 0.000 1.347 392 I CB -0.343 37.694 38.000 0.061 0.000 1.044 392 I HN 0.366 nan 8.210 nan 0.000 0.408 393 W N 0.503 121.922 121.300 0.198 0.000 2.363 393 W HA -0.185 4.473 4.660 -0.004 0.000 0.296 393 W C 2.667 179.286 176.519 0.166 0.000 1.212 393 W CA 1.214 58.678 57.345 0.200 0.000 1.260 393 W CB -0.138 29.476 29.460 0.257 0.000 1.131 393 W HN 0.107 nan 8.180 nan 0.000 0.530 394 A N -0.021 123.047 122.820 0.413 0.000 1.898 394 A HA -0.202 4.116 4.320 -0.004 0.000 0.216 394 A C 1.848 179.642 177.584 0.350 0.000 1.181 394 A CA 1.650 53.865 52.037 0.297 0.000 0.620 394 A CB -0.606 18.527 19.000 0.222 0.000 0.819 394 A HN 0.150 nan 8.150 nan 0.000 0.442 395 E N 0.282 120.633 120.200 0.250 0.000 2.077 395 E HA -0.148 4.200 4.350 -0.004 0.000 0.193 395 E C 2.063 178.762 176.600 0.165 0.000 0.989 395 E CA 0.985 57.498 56.400 0.188 0.000 0.800 395 E CB -0.549 29.195 29.700 0.074 0.000 0.746 395 E HN 0.681 nan 8.360 nan 0.000 0.452 396 L N 0.431 121.735 121.223 0.135 0.000 2.046 396 L HA -0.164 4.174 4.340 -0.004 0.000 0.208 396 L C 2.516 179.495 176.870 0.181 0.000 1.077 396 L CA 1.218 56.110 54.840 0.087 0.000 0.747 396 L CB -0.539 41.478 42.059 -0.071 0.000 0.896 396 L HN 0.067 nan 8.230 nan 0.000 0.432 397 A N -1.010 122.004 122.820 0.324 0.000 1.898 397 A HA -0.204 4.114 4.320 -0.004 0.000 0.216 397 A C 1.962 179.517 177.584 -0.048 0.000 1.181 397 A CA 1.468 53.653 52.037 0.246 0.000 0.620 397 A CB -0.577 18.645 19.000 0.370 0.000 0.819 397 A HN 0.377 nan 8.150 nan 0.000 0.442 398 Y N -1.459 118.881 120.300 0.067 0.000 2.389 398 Y HA 0.150 4.698 4.550 -0.004 0.000 0.292 398 Y C 2.471 178.381 175.900 0.016 0.000 1.117 398 Y CA 1.090 59.209 58.100 0.031 0.000 1.195 398 Y CB 0.272 38.761 38.460 0.049 0.000 1.076 398 Y HN 0.143 nan 8.280 nan 0.000 0.548 399 R N -0.759 119.847 120.500 0.176 0.000 2.419 399 R HA 0.091 4.429 4.340 -0.004 0.000 0.235 399 R C 0.297 176.618 176.300 0.035 0.000 0.899 399 R CA 0.330 56.488 56.100 0.096 0.000 1.048 399 R CB 0.296 30.657 30.300 0.101 0.000 1.182 399 R HN 0.075 nan 8.270 nan 0.000 0.544 400 N N 1.625 120.339 118.700 0.023 0.000 2.708 400 N HA -0.189 4.549 4.740 -0.004 0.000 0.251 400 N C -1.584 173.915 175.510 -0.017 0.000 1.123 400 N CA 1.761 54.806 53.050 -0.008 0.000 0.739 400 N CB -0.754 37.717 38.487 -0.027 0.000 1.113 400 N HN 0.607 nan 8.380 nan 0.000 0.561 401 D N -2.688 117.703 120.400 -0.014 0.000 2.692 401 D HA 0.325 4.963 4.640 -0.004 0.000 0.290 401 D C -0.011 176.255 176.300 -0.057 0.000 1.281 401 D CA -0.713 53.263 54.000 -0.040 0.000 0.804 401 D CB -0.038 40.740 40.800 -0.037 0.000 1.331 401 D HN -0.018 nan 8.370 nan 0.000 0.432 402 L N 0.197 121.365 121.223 -0.091 0.000 2.965 402 L HA 0.328 4.666 4.340 -0.004 0.000 0.254 402 L C 1.505 178.268 176.870 -0.177 0.000 1.220 402 L CA -0.415 54.339 54.840 -0.144 0.000 1.023 402 L CB -0.051 41.912 42.059 -0.160 0.000 1.355 402 L HN 0.321 nan 8.230 nan 0.000 0.545 403 K N 0.494 120.813 120.400 -0.135 0.000 2.209 403 K HA -0.073 4.245 4.320 -0.004 0.000 0.204 403 K C 1.045 177.529 176.600 -0.193 0.000 1.048 403 K CA 0.892 57.099 56.287 -0.134 0.000 0.940 403 K CB 0.184 32.632 32.500 -0.086 0.000 0.729 403 K HN 0.123 nan 8.250 nan 0.000 0.451 404 K N 0.548 120.783 120.400 -0.275 0.000 2.414 404 K HA 0.086 4.404 4.320 -0.004 0.000 0.204 404 K C 1.381 177.624 176.600 -0.595 0.000 1.026 404 K CA 0.046 56.046 56.287 -0.477 0.000 1.108 404 K CB 0.600 32.676 32.500 -0.707 0.000 0.855 404 K HN -0.067 nan 8.250 nan 0.000 0.517 405 V N 0.973 120.624 119.914 -0.439 0.000 2.295 405 V HA -0.268 3.849 4.120 -0.004 0.000 0.246 405 V C 1.835 177.678 176.094 -0.418 0.000 1.049 405 V CA 2.198 64.215 62.300 -0.471 0.000 1.024 405 V CB -0.037 31.369 31.823 -0.694 0.000 0.648 405 V HN 0.275 nan 8.190 nan 0.000 0.447 406 S N -0.562 114.896 115.700 -0.404 0.000 2.356 406 S HA -0.246 4.222 4.470 -0.004 0.000 0.223 406 S C 1.878 176.497 174.600 0.033 0.000 1.032 406 S CA 1.820 59.949 58.200 -0.119 0.000 1.005 406 S CB -0.401 62.770 63.200 -0.048 0.000 0.867 406 S HN 0.805 nan 8.310 nan 0.000 0.449 407 E N 0.754 120.917 120.200 -0.061 0.000 2.070 407 E HA -0.250 4.098 4.350 -0.004 0.000 0.197 407 E C 1.756 178.442 176.600 0.143 0.000 1.004 407 E CA 1.544 57.951 56.400 0.012 0.000 0.805 407 E CB -0.200 29.462 29.700 -0.063 0.000 0.744 407 E HN 0.742 nan 8.360 nan 0.000 0.451 408 H N -1.504 117.593 119.070 0.045 0.000 2.363 408 H HA -0.085 4.469 4.556 -0.004 0.000 0.301 408 H C 1.983 177.383 175.328 0.119 0.000 1.074 408 H CA 0.794 56.874 56.048 0.054 0.000 1.354 408 H CB -0.118 29.660 29.762 0.027 0.000 1.397 408 H HN 0.211 nan 8.280 nan 0.000 0.516 409 F N 1.321 121.347 119.950 0.128 0.000 2.161 409 F HA -0.205 4.320 4.527 -0.003 0.000 0.300 409 F C 2.214 178.104 175.800 0.150 0.000 1.089 409 F CA 0.685 58.765 58.000 0.133 0.000 1.282 409 F CB -0.203 38.907 39.000 0.182 0.000 1.010 409 F HN 0.054 nan 8.300 nan 0.000 0.485 410 L N -0.361 121.017 121.223 0.259 0.000 2.079 410 L HA -0.179 4.159 4.340 -0.004 0.000 0.210 410 L C 2.129 179.050 176.870 0.085 0.000 1.081 410 L CA 1.570 56.509 54.840 0.164 0.000 0.752 410 L CB -0.816 41.342 42.059 0.164 0.000 0.896 410 L HN 0.048 nan 8.230 nan 0.000 0.433 411 V N -1.422 118.544 119.914 0.087 0.000 2.379 411 V HA -0.190 3.927 4.120 -0.004 0.000 0.245 411 V C 2.482 178.631 176.094 0.091 0.000 1.044 411 V CA 1.653 64.005 62.300 0.087 0.000 1.036 411 V CB -0.505 31.360 31.823 0.069 0.000 0.664 411 V HN 0.470 nan 8.190 nan 0.000 0.453 412 S N 0.520 116.212 115.700 -0.013 0.000 2.382 412 S HA -0.182 4.286 4.470 -0.004 0.000 0.228 412 S C 1.943 176.533 174.600 -0.016 0.000 1.027 412 S CA 2.078 60.227 58.200 -0.085 0.000 0.991 412 S CB -0.274 62.813 63.200 -0.188 0.000 0.823 412 S HN 0.858 nan 8.310 nan 0.000 0.469 413 T N -3.759 110.703 114.554 -0.153 0.000 2.958 413 T HA 0.483 4.831 4.350 -0.004 0.000 0.256 413 T C 1.444 176.237 174.700 0.155 0.000 0.983 413 T CA 0.839 62.935 62.100 -0.007 0.000 0.924 413 T CB 0.478 69.101 68.868 -0.408 0.000 1.136 413 T HN 0.567 nan 8.240 nan 0.000 0.506 414 G N 1.873 110.723 108.800 0.083 0.000 2.184 414 G HA2 -0.200 3.757 3.960 -0.004 0.000 0.264 414 G HA3 -0.200 3.757 3.960 -0.004 0.000 0.264 414 G C -0.074 174.904 174.900 0.130 0.000 0.975 414 G CA 0.649 45.805 45.100 0.094 0.000 0.642 414 G HN 1.161 nan 8.290 nan 0.000 0.536 415 L N -2.749 118.591 121.223 0.194 0.000 2.303 415 L HA 0.949 5.287 4.340 -0.004 0.000 0.256 415 L C -0.251 176.849 176.870 0.383 0.000 1.034 415 L CA -1.206 53.783 54.840 0.248 0.000 0.832 415 L CB 1.246 43.449 42.059 0.240 0.000 1.403 415 L HN -0.004 nan 8.230 nan 0.000 0.419 416 D N -0.265 120.319 120.400 0.307 0.000 2.389 416 D HA 0.116 4.754 4.640 -0.004 0.000 0.247 416 D C 0.606 177.156 176.300 0.417 0.000 1.128 416 D CA 0.006 54.199 54.000 0.321 0.000 0.884 416 D CB 0.836 41.741 40.800 0.176 0.000 1.194 416 D HN 0.536 nan 8.370 nan 0.000 0.441 417 F N 3.071 123.140 119.950 0.199 0.000 2.134 417 F HA -0.165 4.360 4.527 -0.004 0.000 0.299 417 F C 1.604 177.341 175.800 -0.106 0.000 1.097 417 F CA 1.543 59.414 58.000 -0.215 0.000 1.264 417 F CB 0.107 38.877 39.000 -0.384 0.000 1.001 417 F HN 0.424 nan 8.300 nan 0.000 0.479 418 D N 0.203 120.655 120.400 0.085 0.000 2.144 418 D HA -0.164 4.474 4.640 -0.004 0.000 0.200 418 D C 1.796 178.090 176.300 -0.010 0.000 0.978 418 D CA 1.372 55.369 54.000 -0.006 0.000 0.833 418 D CB -0.532 40.324 40.800 0.092 0.000 0.961 418 D HN 0.341 nan 8.370 nan 0.000 0.470 419 D N 0.217 120.644 120.400 0.044 0.000 2.092 419 D HA -0.145 4.493 4.640 -0.004 0.000 0.193 419 D C 1.858 178.208 176.300 0.084 0.000 0.994 419 D CA 0.532 54.544 54.000 0.020 0.000 0.828 419 D CB -0.619 40.163 40.800 -0.030 0.000 0.963 419 D HN 0.200 nan 8.370 nan 0.000 0.450 420 F N 0.540 120.498 119.950 0.014 0.000 2.171 420 F HA -0.186 4.339 4.527 -0.004 0.000 0.300 420 F C 2.344 178.162 175.800 0.031 0.000 1.090 420 F CA 0.767 58.885 58.000 0.195 0.000 1.293 420 F CB 0.077 39.217 39.000 0.233 0.000 1.013 420 F HN -0.124 nan 8.300 nan 0.000 0.486 421 M N -0.104 119.490 119.600 -0.009 0.000 2.358 421 M HA -0.196 4.282 4.480 -0.004 0.000 0.264 421 M C 1.721 178.116 176.300 0.159 0.000 1.064 421 M CA 1.338 56.580 55.300 -0.097 0.000 1.093 421 M CB -0.834 31.519 32.600 -0.412 0.000 1.401 421 M HN 0.044 nan 8.290 nan 0.000 0.440 422 K N 0.219 120.718 120.400 0.165 0.000 2.442 422 K HA 0.003 4.321 4.320 -0.004 0.000 0.198 422 K C 1.783 178.472 176.600 0.148 0.000 1.042 422 K CA 0.477 56.857 56.287 0.154 0.000 0.958 422 K CB -0.463 32.107 32.500 0.117 0.000 0.766 422 K HN 0.405 nan 8.250 nan 0.000 0.474 423 I N 1.732 122.405 120.570 0.171 0.000 2.399 423 I HA -0.286 3.881 4.170 -0.004 0.000 0.254 423 I C 0.716 176.836 176.117 0.004 0.000 1.146 423 I CA 1.454 62.750 61.300 -0.007 0.000 1.412 423 I CB 0.062 37.955 38.000 -0.178 0.000 1.076 423 I HN 0.066 nan 8.210 nan 0.000 0.432 424 D N 0.513 120.936 120.400 0.038 0.000 2.371 424 D HA -0.078 4.560 4.640 -0.004 0.000 0.221 424 D C 2.154 178.404 176.300 -0.083 0.000 0.986 424 D CA 0.567 54.540 54.000 -0.045 0.000 0.899 424 D CB -0.061 40.705 40.800 -0.057 0.000 0.902 424 D HN 0.390 nan 8.370 nan 0.000 0.530 425 L N 0.609 121.827 121.223 -0.009 0.000 2.127 425 L HA -0.188 4.150 4.340 -0.004 0.000 0.211 425 L C 2.261 179.221 176.870 0.150 0.000 1.089 425 L CA 1.111 55.974 54.840 0.037 0.000 0.757 425 L CB -0.309 41.761 42.059 0.018 0.000 0.899 425 L HN 0.010 nan 8.230 nan 0.000 0.434 426 A N -0.623 122.270 122.820 0.122 0.000 2.216 426 A HA -0.118 4.200 4.320 -0.004 0.000 0.214 426 A C 1.721 179.433 177.584 0.213 0.000 1.160 426 A CA 1.198 53.392 52.037 0.262 0.000 0.725 426 A CB -0.359 18.700 19.000 0.098 0.000 0.784 426 A HN 0.451 nan 8.150 nan 0.000 0.472 427 N N -0.556 118.152 118.700 0.014 0.000 2.282 427 N HA 0.145 4.883 4.740 -0.004 0.000 0.185 427 N C 0.133 175.543 175.510 -0.166 0.000 1.099 427 N CA 0.251 53.249 53.050 -0.087 0.000 0.878 427 N CB 0.240 38.610 38.487 -0.195 0.000 0.993 427 N HN 0.414 nan 8.380 nan 0.000 0.481 428 L N 1.971 123.078 121.223 -0.192 0.000 2.648 428 L HA 0.311 4.649 4.340 -0.004 0.000 0.238 428 L C 0.013 176.543 176.870 -0.567 0.000 1.316 428 L CA -0.230 54.434 54.840 -0.292 0.000 1.241 428 L CB -0.271 41.627 42.059 -0.268 0.000 1.499 428 L HN -0.104 nan 8.230 nan 0.000 0.411 429 L N 1.867 122.774 121.223 -0.526 0.000 2.485 429 L HA 0.116 4.454 4.340 -0.004 0.000 0.275 429 L C -1.769 174.810 176.870 -0.485 0.000 1.207 429 L CA -1.615 52.821 54.840 -0.674 0.000 0.855 429 L CB 0.048 41.887 42.059 -0.368 0.000 1.114 429 L HN 0.117 nan 8.230 nan 0.000 0.485 430 P HA -0.002 nan 4.420 nan 0.000 0.266 430 P C -0.329 176.875 177.300 -0.161 0.000 1.195 430 P CA 0.263 63.217 63.100 -0.243 0.000 0.768 430 P CB 0.360 31.955 31.700 -0.175 0.000 0.838 431 D N -1.079 119.254 120.400 -0.111 0.000 2.911 431 D HA -0.157 4.481 4.640 -0.004 0.000 0.199 431 D C 0.013 176.271 176.300 -0.070 0.000 1.041 431 D CA 0.623 54.579 54.000 -0.074 0.000 1.013 431 D CB -1.380 39.385 40.800 -0.060 0.000 1.093 431 D HN 0.328 nan 8.370 nan 0.000 0.431 432 L N 2.150 123.317 121.223 -0.093 0.000 2.513 432 L HA 0.162 4.500 4.340 -0.004 0.000 0.272 432 L C -1.564 175.270 176.870 -0.059 0.000 1.187 432 L CA -1.009 53.780 54.840 -0.085 0.000 0.895 432 L CB -0.028 41.971 42.059 -0.099 0.000 1.147 432 L HN -0.255 nan 8.230 nan 0.000 0.483 433 P HA 0.003 nan 4.420 nan 0.000 0.267 433 P C -0.150 177.142 177.300 -0.014 0.000 1.205 433 P CA -0.273 62.810 63.100 -0.028 0.000 0.765 433 P CB 0.453 32.135 31.700 -0.030 0.000 0.828 434 D N 1.465 121.880 120.400 0.025 0.000 2.348 434 D HA -0.147 4.491 4.640 -0.004 0.000 0.216 434 D C 0.730 177.113 176.300 0.139 0.000 0.970 434 D CA 0.737 54.779 54.000 0.069 0.000 0.889 434 D CB -0.699 40.144 40.800 0.071 0.000 0.912 434 D HN 0.280 nan 8.370 nan 0.000 0.524 435 N N 0.668 119.444 118.700 0.127 0.000 2.270 435 N HA 0.009 4.747 4.740 -0.004 0.000 0.198 435 N C -0.231 175.454 175.510 0.291 0.000 1.117 435 N CA -0.177 53.011 53.050 0.231 0.000 0.845 435 N CB -0.119 38.454 38.487 0.144 0.000 0.980 435 N HN 0.224 nan 8.380 nan 0.000 0.486 436 L N 1.458 122.727 121.223 0.077 0.000 2.282 436 L HA 0.365 4.703 4.340 -0.004 0.000 0.288 436 L C 0.448 177.088 176.870 -0.384 0.000 1.033 436 L CA -0.840 53.956 54.840 -0.073 0.000 0.807 436 L CB 1.496 43.350 42.059 -0.342 0.000 1.209 436 L HN 0.089 nan 8.230 nan 0.000 0.423 437 S N 1.008 116.503 115.700 -0.341 0.000 2.616 437 S HA 0.649 5.117 4.470 -0.004 0.000 0.277 437 S C 0.966 175.370 174.600 -0.326 0.000 1.234 437 S CA 0.137 57.786 58.200 -0.918 0.000 1.028 437 S CB 1.652 64.571 63.200 -0.469 0.000 0.988 437 S HN 1.034 nan 8.310 nan 0.000 0.522 438 G N 1.059 109.581 108.800 -0.462 0.000 2.148 438 G HA2 -0.230 3.728 3.960 -0.004 0.000 0.254 438 G HA3 -0.230 3.728 3.960 -0.004 0.000 0.254 438 G C -0.016 174.916 174.900 0.053 0.000 0.981 438 G CA 0.200 45.318 45.100 0.030 0.000 0.670 438 G HN 0.867 nan 8.290 nan 0.000 0.528 439 I N 2.010 122.559 120.570 -0.035 0.000 2.421 439 I HA 0.192 4.360 4.170 -0.004 0.000 0.291 439 I C 0.454 176.622 176.117 0.084 0.000 1.089 439 I CA -0.145 61.187 61.300 0.054 0.000 1.354 439 I CB 0.417 38.386 38.000 -0.050 0.000 1.413 439 I HN 0.336 nan 8.210 nan 0.000 0.513 440 N N 8.380 127.168 118.700 0.146 0.000 2.679 440 N HA 0.185 4.923 4.740 -0.004 0.000 0.302 440 N C -2.254 173.083 175.510 -0.287 0.000 1.941 440 N CA -1.756 51.317 53.050 0.038 0.000 0.875 440 N CB 0.564 39.130 38.487 0.132 0.000 1.278 440 N HN 0.231 nan 8.380 nan 0.000 0.490 441 P HA -0.171 nan 4.420 nan 0.000 0.222 441 P C 0.977 177.952 177.300 -0.543 0.000 1.147 441 P CA 1.071 63.584 63.100 -0.978 0.000 0.790 441 P CB 0.140 31.672 31.700 -0.281 0.000 0.780 442 N N 0.479 119.032 118.700 -0.245 0.000 2.132 442 N HA -0.233 4.505 4.740 -0.004 0.000 0.191 442 N C 1.993 177.378 175.510 -0.208 0.000 1.015 442 N CA 1.525 54.458 53.050 -0.195 0.000 0.864 442 N CB -0.811 37.655 38.487 -0.035 0.000 1.006 442 N HN 0.093 nan 8.380 nan 0.000 0.430 443 R N -0.971 119.453 120.500 -0.127 0.000 2.103 443 R HA 0.006 4.344 4.340 -0.004 0.000 0.212 443 R C 2.107 178.438 176.300 0.051 0.000 1.107 443 R CA 0.823 56.949 56.100 0.044 0.000 1.025 443 R CB -0.260 30.160 30.300 0.200 0.000 0.929 443 R HN 0.574 nan 8.270 nan 0.000 0.456 444 Y N -1.603 118.718 120.300 0.035 0.000 2.395 444 Y HA 0.076 4.625 4.550 -0.003 0.000 0.293 444 Y C 1.724 177.598 175.900 -0.042 0.000 1.123 444 Y CA 0.198 58.294 58.100 -0.006 0.000 1.227 444 Y CB -0.470 37.922 38.460 -0.112 0.000 1.012 444 Y HN -0.259 nan 8.280 nan 0.000 0.552 445 V N 1.080 120.929 119.914 -0.109 0.000 2.427 445 V HA -0.254 3.864 4.120 -0.004 0.000 0.248 445 V C 2.428 178.436 176.094 -0.144 0.000 1.051 445 V CA 1.630 63.876 62.300 -0.090 0.000 1.048 445 V CB -0.642 31.049 31.823 -0.221 0.000 0.666 445 V HN 0.492 nan 8.190 nan 0.000 0.456 446 L N -0.517 120.567 121.223 -0.233 0.000 1.976 446 L HA -0.145 4.193 4.340 -0.004 0.000 0.209 446 L C 2.234 179.061 176.870 -0.072 0.000 1.071 446 L CA 2.250 56.916 54.840 -0.290 0.000 0.746 446 L CB -0.743 41.008 42.059 -0.514 0.000 0.890 446 L HN 0.330 nan 8.230 nan 0.000 0.432 447 Y N 0.092 120.445 120.300 0.090 0.000 2.523 447 Y HA 0.099 4.647 4.550 -0.004 0.000 0.279 447 Y C 1.214 177.170 175.900 0.095 0.000 1.139 447 Y CA -0.063 58.141 58.100 0.173 0.000 1.296 447 Y CB -0.873 37.773 38.460 0.311 0.000 1.045 447 Y HN 0.460 nan 8.280 nan 0.000 0.538 448 Q N 0.645 120.554 119.800 0.181 0.000 2.432 448 Q HA 0.033 4.371 4.340 -0.004 0.000 0.264 448 Q C -0.368 175.684 176.000 0.087 0.000 1.035 448 Q CA -0.356 55.500 55.803 0.087 0.000 0.908 448 Q CB 0.617 29.384 28.738 0.047 0.000 1.280 448 Q HN 0.143 nan 8.270 nan 0.000 0.455 449 D N 0.490 120.927 120.400 0.062 0.000 2.363 449 D HA 0.011 4.649 4.640 -0.004 0.000 0.240 449 D C 0.350 176.688 176.300 0.063 0.000 1.236 449 D CA -0.198 53.844 54.000 0.069 0.000 0.927 449 D CB 1.089 41.919 40.800 0.049 0.000 1.150 449 D HN 0.403 nan 8.370 nan 0.000 0.458 450 V N 1.282 121.244 119.914 0.081 0.000 2.436 450 V HA -0.049 4.069 4.120 -0.004 0.000 0.240 450 V C 2.229 178.370 176.094 0.079 0.000 1.040 450 V CA 0.738 63.090 62.300 0.088 0.000 1.052 450 V CB -0.558 31.354 31.823 0.149 0.000 0.707 450 V HN 0.527 nan 8.190 nan 0.000 0.469 451 L N -0.430 120.835 121.223 0.069 0.000 2.093 451 L HA -0.083 4.254 4.340 -0.004 0.000 0.208 451 L C 0.904 177.767 176.870 -0.011 0.000 1.085 451 L CA 0.939 55.787 54.840 0.014 0.000 0.755 451 L CB -0.179 41.878 42.059 -0.002 0.000 0.904 451 L HN 0.381 nan 8.230 nan 0.000 0.435 452 C N 0.795 120.101 119.300 0.009 0.000 3.075 452 C HA 0.310 4.768 4.460 -0.004 0.000 0.262 452 C C -2.221 172.784 174.990 0.025 0.000 1.371 452 C CA -1.401 57.621 59.018 0.006 0.000 1.594 452 C CB -0.290 27.452 27.740 0.003 0.000 1.849 452 C HN 0.120 nan 8.230 nan 0.000 0.475 453 P HA 0.152 nan 4.420 nan 0.000 0.273 453 P C 0.666 177.995 177.300 0.048 0.000 1.428 453 P CA 0.357 63.480 63.100 0.039 0.000 0.995 453 P CB 0.472 32.197 31.700 0.041 0.000 1.286 454 L N 2.427 123.678 121.223 0.046 0.000 2.376 454 L HA -0.037 4.301 4.340 -0.004 0.000 0.219 454 L C 1.728 178.657 176.870 0.098 0.000 1.133 454 L CA 0.734 55.637 54.840 0.106 0.000 0.816 454 L CB -0.301 41.862 42.059 0.174 0.000 0.933 454 L HN 0.340 nan 8.230 nan 0.000 0.449 455 L N -0.410 120.801 121.223 -0.019 0.000 2.628 455 L HA 0.030 4.368 4.340 -0.004 0.000 0.229 455 L C 2.022 178.973 176.870 0.134 0.000 1.137 455 L CA 0.537 55.366 54.840 -0.018 0.000 0.909 455 L CB -0.230 41.716 42.059 -0.188 0.000 1.137 455 L HN 0.205 nan 8.230 nan 0.000 0.470 456 E N 0.546 120.805 120.200 0.098 0.000 2.110 456 E HA -0.215 4.133 4.350 -0.004 0.000 0.193 456 E C 1.892 178.520 176.600 0.046 0.000 0.988 456 E CA 1.243 57.690 56.400 0.079 0.000 0.804 456 E CB 0.221 29.954 29.700 0.054 0.000 0.745 456 E HN 0.285 nan 8.360 nan 0.000 0.458 457 Q N -0.496 119.295 119.800 -0.015 0.000 2.437 457 Q HA -0.110 4.227 4.340 -0.004 0.000 0.210 457 Q C 0.906 176.743 176.000 -0.272 0.000 0.972 457 Q CA 0.882 56.591 55.803 -0.156 0.000 0.903 457 Q CB -0.045 28.550 28.738 -0.239 0.000 0.967 457 Q HN 0.601 nan 8.270 nan 0.000 0.486 458 H N -1.008 118.095 119.070 0.055 0.000 2.549 458 H HA 0.293 4.846 4.556 -0.004 0.000 0.279 458 H C 0.236 175.641 175.328 0.129 0.000 1.018 458 H CA -0.023 56.070 56.048 0.075 0.000 1.175 458 H CB 0.868 30.637 29.762 0.012 0.000 1.485 458 H HN 0.104 nan 8.280 nan 0.000 0.543 459 I N 1.713 122.392 120.570 0.182 0.000 2.404 459 I HA 0.240 4.407 4.170 -0.004 0.000 0.293 459 I C 0.132 176.303 176.117 0.090 0.000 0.992 459 I CA -0.680 60.717 61.300 0.162 0.000 1.149 459 I CB 1.833 39.932 38.000 0.165 0.000 1.315 459 I HN -0.175 nan 8.210 nan 0.000 0.446 460 R N 6.883 127.425 120.500 0.070 0.000 2.287 460 R HA 0.246 4.584 4.340 -0.004 0.000 0.327 460 R C -1.901 174.424 176.300 0.040 0.000 1.109 460 R CA -1.459 54.663 56.100 0.036 0.000 1.013 460 R CB 0.620 30.927 30.300 0.012 0.000 1.126 460 R HN 0.353 nan 8.270 nan 0.000 0.503 461 P HA -0.244 nan 4.420 nan 0.000 0.214 461 P C 1.050 178.375 177.300 0.042 0.000 1.163 461 P CA 1.180 64.311 63.100 0.052 0.000 0.889 461 P CB 0.402 32.129 31.700 0.044 0.000 0.790 462 E N 0.143 120.358 120.200 0.025 0.000 2.047 462 E HA -0.156 4.192 4.350 -0.004 0.000 0.191 462 E C 1.878 178.481 176.600 0.005 0.000 0.987 462 E CA 1.562 57.972 56.400 0.017 0.000 0.799 462 E CB -0.610 29.096 29.700 0.010 0.000 0.752 462 E HN 0.039 nan 8.360 nan 0.000 0.449 463 K N 0.206 120.602 120.400 -0.007 0.000 2.026 463 K HA -0.135 4.183 4.320 -0.004 0.000 0.208 463 K C 1.793 178.356 176.600 -0.061 0.000 1.048 463 K CA 1.533 57.801 56.287 -0.031 0.000 0.929 463 K CB -0.199 32.276 32.500 -0.041 0.000 0.713 463 K HN 0.198 nan 8.250 nan 0.000 0.439 464 D N 0.715 121.077 120.400 -0.064 0.000 2.097 464 D HA -0.143 4.495 4.640 -0.004 0.000 0.197 464 D C 1.797 178.026 176.300 -0.119 0.000 0.984 464 D CA 1.049 54.952 54.000 -0.161 0.000 0.826 464 D CB -0.123 40.653 40.800 -0.040 0.000 0.973 464 D HN 0.156 nan 8.370 nan 0.000 0.460 465 K N 0.484 120.923 120.400 0.065 0.000 2.074 465 K HA -0.259 4.059 4.320 -0.004 0.000 0.209 465 K C 2.060 178.697 176.600 0.062 0.000 1.048 465 K CA 1.409 57.778 56.287 0.137 0.000 0.926 465 K CB 0.050 32.604 32.500 0.091 0.000 0.713 465 K HN -0.117 nan 8.250 nan 0.000 0.444 466 Q N 0.280 120.086 119.800 0.009 0.000 2.124 466 Q HA -0.207 4.131 4.340 -0.004 0.000 0.202 466 Q C 1.876 177.849 176.000 -0.044 0.000 0.977 466 Q CA 2.164 57.962 55.803 -0.010 0.000 0.850 466 Q CB -0.455 28.277 28.738 -0.010 0.000 0.901 466 Q HN 0.606 nan 8.270 nan 0.000 0.429 467 H N -0.817 118.143 119.070 -0.184 0.000 2.321 467 H HA -0.121 4.433 4.556 -0.003 0.000 0.300 467 H C 1.292 176.489 175.328 -0.218 0.000 1.087 467 H CA 2.188 58.079 56.048 -0.262 0.000 1.319 467 H CB -0.429 29.062 29.762 -0.452 0.000 1.379 467 H HN 0.293 nan 8.280 nan 0.000 0.501 468 F N 0.532 120.383 119.950 -0.164 0.000 2.134 468 F HA -0.058 4.466 4.527 -0.004 0.000 0.299 468 F C 2.815 178.492 175.800 -0.205 0.000 1.097 468 F CA 1.125 58.994 58.000 -0.217 0.000 1.264 468 F CB -1.176 37.758 39.000 -0.110 0.000 1.001 468 F HN 0.374 nan 8.300 nan 0.000 0.479 469 A N -0.944 121.891 122.820 0.026 0.000 1.873 469 A HA -0.190 4.127 4.320 -0.004 0.000 0.215 469 A C 2.427 179.974 177.584 -0.061 0.000 1.186 469 A CA 1.908 53.936 52.037 -0.015 0.000 0.616 469 A CB -1.276 17.720 19.000 -0.006 0.000 0.823 469 A HN 0.325 nan 8.150 nan 0.000 0.442 470 S N -0.315 115.324 115.700 -0.101 0.000 2.370 470 S HA -0.143 4.324 4.470 -0.004 0.000 0.226 470 S C 2.222 176.741 174.600 -0.135 0.000 1.033 470 S CA 2.003 60.137 58.200 -0.110 0.000 1.011 470 S CB -0.428 62.702 63.200 -0.117 0.000 0.852 470 S HN 0.563 nan 8.310 nan 0.000 0.457 471 S N 1.391 116.952 115.700 -0.230 0.000 2.368 471 S HA 0.018 4.486 4.470 -0.004 0.000 0.225 471 S C 2.248 176.798 174.600 -0.083 0.000 1.030 471 S CA 1.054 59.137 58.200 -0.195 0.000 0.999 471 S CB -0.745 62.269 63.200 -0.310 0.000 0.844 471 S HN 0.726 nan 8.310 nan 0.000 0.459 472 A N 1.452 124.234 122.820 -0.064 0.000 1.908 472 A HA -0.218 4.099 4.320 -0.004 0.000 0.218 472 A C 2.116 179.684 177.584 -0.026 0.000 1.181 472 A CA 1.642 53.657 52.037 -0.036 0.000 0.627 472 A CB -0.707 18.270 19.000 -0.039 0.000 0.818 472 A HN 0.551 nan 8.150 nan 0.000 0.445 473 Q N -0.653 119.126 119.800 -0.035 0.000 2.030 473 Q HA -0.253 4.085 4.340 -0.004 0.000 0.204 473 Q C 2.391 178.378 176.000 -0.022 0.000 0.986 473 Q CA 1.924 57.711 55.803 -0.026 0.000 0.843 473 Q CB -0.270 28.450 28.738 -0.030 0.000 0.904 473 Q HN 0.772 nan 8.270 nan 0.000 0.420 474 Q N 0.268 120.051 119.800 -0.028 0.000 2.061 474 Q HA -0.168 4.170 4.340 -0.004 0.000 0.204 474 Q C 2.158 178.154 176.000 -0.008 0.000 0.984 474 Q CA 1.202 56.993 55.803 -0.020 0.000 0.846 474 Q CB -0.153 28.571 28.738 -0.023 0.000 0.902 474 Q HN 0.381 nan 8.270 nan 0.000 0.421 475 L N -0.306 120.923 121.223 0.010 0.000 2.217 475 L HA -0.058 4.280 4.340 -0.004 0.000 0.211 475 L C 2.354 179.245 176.870 0.035 0.000 1.107 475 L CA 0.809 55.681 54.840 0.052 0.000 0.783 475 L CB -0.568 41.544 42.059 0.088 0.000 0.919 475 L HN 0.314 nan 8.230 nan 0.000 0.442 476 G N -0.458 108.351 108.800 0.015 0.000 2.422 476 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.218 476 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.218 476 G C 1.501 176.395 174.900 -0.009 0.000 1.146 476 G CA 0.446 45.551 45.100 0.008 0.000 0.769 476 G HN 0.260 nan 8.290 nan 0.000 0.547 477 E N 0.446 120.634 120.200 -0.021 0.000 2.076 477 E HA 0.042 4.390 4.350 -0.004 0.000 0.190 477 E C 2.621 179.182 176.600 -0.065 0.000 0.979 477 E CA 0.188 56.568 56.400 -0.034 0.000 0.807 477 E CB -0.259 29.424 29.700 -0.029 0.000 0.761 477 E HN 0.502 nan 8.360 nan 0.000 0.454 478 I N 1.949 122.465 120.570 -0.091 0.000 2.208 478 I HA -0.276 3.892 4.170 -0.004 0.000 0.245 478 I C 2.474 178.426 176.117 -0.275 0.000 1.097 478 I CA 1.490 62.669 61.300 -0.202 0.000 1.363 478 I CB -0.422 37.417 38.000 -0.267 0.000 1.051 478 I HN 0.057 nan 8.210 nan 0.000 0.413 479 S N 0.899 116.505 115.700 -0.156 0.000 2.419 479 S HA -0.194 4.274 4.470 -0.004 0.000 0.233 479 S C 1.813 176.372 174.600 -0.068 0.000 1.016 479 S CA 0.939 59.086 58.200 -0.088 0.000 0.974 479 S CB -0.468 62.765 63.200 0.056 0.000 0.786 479 S HN 0.449 nan 8.310 nan 0.000 0.492 480 K N 1.320 121.682 120.400 -0.062 0.000 2.439 480 K HA 0.005 4.323 4.320 -0.004 0.000 0.197 480 K C 1.652 178.220 176.600 -0.053 0.000 1.041 480 K CA 1.007 57.269 56.287 -0.042 0.000 0.970 480 K CB -0.094 32.387 32.500 -0.032 0.000 0.773 480 K HN 0.675 nan 8.250 nan 0.000 0.479 481 R N -1.064 119.382 120.500 -0.090 0.000 2.659 481 R HA 0.358 4.696 4.340 -0.004 0.000 0.418 481 R C 0.668 176.909 176.300 -0.098 0.000 1.076 481 R CA -0.016 56.038 56.100 -0.076 0.000 1.093 481 R CB 0.642 30.903 30.300 -0.064 0.000 1.400 481 R HN -0.067 nan 8.270 nan 0.000 0.583 482 A N 0.920 123.665 122.820 -0.124 0.000 2.387 482 A HA 0.516 4.834 4.320 -0.004 0.000 0.234 482 A C 1.239 178.844 177.584 0.035 0.000 1.253 482 A CA 0.206 52.166 52.037 -0.129 0.000 0.894 482 A CB -0.073 18.735 19.000 -0.319 0.000 0.963 482 A HN 0.598 nan 8.150 nan 0.000 0.508 483 G N 1.450 110.255 108.800 0.009 0.000 2.611 483 G HA2 -0.449 3.509 3.960 -0.004 0.000 0.301 483 G HA3 -0.449 3.509 3.960 -0.004 0.000 0.301 483 G C 0.839 175.723 174.900 -0.027 0.000 1.233 483 G CA 0.845 45.942 45.100 -0.005 0.000 0.993 483 G HN 1.009 nan 8.290 nan 0.000 0.553 484 E N -0.302 119.817 120.200 -0.136 0.000 2.478 484 E HA 0.049 4.397 4.350 -0.004 0.000 0.198 484 E C 1.532 177.970 176.600 -0.271 0.000 1.046 484 E CA 1.515 57.748 56.400 -0.279 0.000 0.870 484 E CB -0.113 29.298 29.700 -0.483 0.000 0.818 484 E HN 0.647 nan 8.360 nan 0.000 0.527 485 Y N -0.083 120.311 120.300 0.157 0.000 2.555 485 Y HA 0.469 5.017 4.550 -0.003 0.000 0.259 485 Y C 2.099 178.097 175.900 0.163 0.000 1.179 485 Y CA -0.155 58.047 58.100 0.170 0.000 1.230 485 Y CB 0.325 38.892 38.460 0.178 0.000 1.146 485 Y HN 0.179 nan 8.280 nan 0.000 0.526 486 A N 0.355 123.342 122.820 0.279 0.000 1.948 486 A HA -0.296 4.022 4.320 -0.004 0.000 0.220 486 A C 1.985 179.709 177.584 0.232 0.000 1.177 486 A CA 2.244 54.418 52.037 0.229 0.000 0.636 486 A CB -1.298 17.779 19.000 0.129 0.000 0.815 486 A HN 0.686 nan 8.150 nan 0.000 0.449 487 Y N 0.792 121.161 120.300 0.114 0.000 2.193 487 Y HA -0.225 4.323 4.550 -0.003 0.000 0.285 487 Y C 1.845 177.796 175.900 0.085 0.000 1.166 487 Y CA 1.206 59.352 58.100 0.077 0.000 1.181 487 Y CB -1.096 37.383 38.460 0.032 0.000 0.976 487 Y HN 0.437 nan 8.280 nan 0.000 0.520 488 I N -3.550 116.624 120.570 -0.660 0.000 2.617 488 I HA -0.022 4.145 4.170 -0.004 0.000 0.256 488 I C 1.521 177.393 176.117 -0.408 0.000 1.167 488 I CA 1.021 61.977 61.300 -0.573 0.000 1.469 488 I CB -0.711 36.870 38.000 -0.699 0.000 1.098 488 I HN 0.076 nan 8.210 nan 0.000 0.436 489 F N 1.853 121.698 119.950 -0.175 0.000 2.234 489 F HA -0.035 4.490 4.527 -0.003 0.000 0.296 489 F C 2.583 178.362 175.800 -0.036 0.000 1.089 489 F CA 1.444 59.379 58.000 -0.110 0.000 1.343 489 F CB -0.430 38.491 39.000 -0.133 0.000 1.040 489 F HN 0.095 nan 8.300 nan 0.000 0.498 490 E N 0.543 120.832 120.200 0.148 0.000 2.058 490 E HA -0.184 4.163 4.350 -0.004 0.000 0.194 490 E C 2.032 178.698 176.600 0.110 0.000 0.997 490 E CA 2.309 58.776 56.400 0.112 0.000 0.801 490 E CB -0.646 29.120 29.700 0.110 0.000 0.746 490 E HN 0.227 nan 8.360 nan 0.000 0.450 491 T N 0.983 115.600 114.554 0.105 0.000 2.665 491 T HA -0.182 4.166 4.350 -0.004 0.000 0.268 491 T C 1.683 176.518 174.700 0.226 0.000 1.035 491 T CA 1.598 63.807 62.100 0.181 0.000 1.151 491 T CB -0.254 68.717 68.868 0.172 0.000 0.862 491 T HN 0.197 nan 8.240 nan 0.000 0.438 492 Q N 0.601 120.464 119.800 0.105 0.000 2.119 492 Q HA 0.103 4.441 4.340 -0.004 0.000 0.201 492 Q C 2.720 178.741 176.000 0.034 0.000 0.972 492 Q CA 1.368 57.207 55.803 0.059 0.000 0.847 492 Q CB -0.772 27.962 28.738 -0.006 0.000 0.903 492 Q HN 0.588 nan 8.270 nan 0.000 0.433 493 A N 1.233 124.086 122.820 0.055 0.000 1.877 493 A HA -0.239 4.079 4.320 -0.004 0.000 0.216 493 A C 2.130 179.712 177.584 -0.003 0.000 1.186 493 A CA 1.556 53.610 52.037 0.028 0.000 0.620 493 A CB -0.540 18.487 19.000 0.044 0.000 0.822 493 A HN 0.381 nan 8.150 nan 0.000 0.443 494 Q N -1.206 118.617 119.800 0.038 0.000 2.084 494 Q HA -0.181 4.157 4.340 -0.004 0.000 0.202 494 Q C 2.132 178.033 176.000 -0.164 0.000 0.978 494 Q CA 1.479 57.291 55.803 0.016 0.000 0.844 494 Q CB -0.369 28.471 28.738 0.170 0.000 0.898 494 Q HN 0.585 nan 8.270 nan 0.000 0.426 495 L N 1.554 122.632 121.223 -0.243 0.000 2.012 495 L HA -0.205 4.132 4.340 -0.004 0.000 0.210 495 L C 1.753 178.342 176.870 -0.468 0.000 1.073 495 L CA 1.786 56.240 54.840 -0.643 0.000 0.748 495 L CB -0.714 41.029 42.059 -0.527 0.000 0.891 495 L HN 0.185 nan 8.230 nan 0.000 0.431 496 N N -0.138 118.405 118.700 -0.262 0.000 2.104 496 N HA -0.185 4.553 4.740 -0.004 0.000 0.190 496 N C 1.774 177.174 175.510 -0.184 0.000 1.024 496 N CA 1.621 54.556 53.050 -0.191 0.000 0.853 496 N CB -0.243 38.225 38.487 -0.032 0.000 1.008 496 N HN 0.541 nan 8.380 nan 0.000 0.424 497 A N 1.469 124.197 122.820 -0.153 0.000 1.902 497 A HA -0.128 4.190 4.320 -0.004 0.000 0.217 497 A C 2.243 179.719 177.584 -0.180 0.000 1.181 497 A CA 1.005 52.968 52.037 -0.124 0.000 0.623 497 A CB -0.704 18.242 19.000 -0.091 0.000 0.818 497 A HN 0.247 nan 8.150 nan 0.000 0.443 498 L N -0.080 120.980 121.223 -0.272 0.000 2.046 498 L HA -0.104 4.234 4.340 -0.004 0.000 0.208 498 L C 2.249 178.910 176.870 -0.349 0.000 1.077 498 L CA 1.707 56.354 54.840 -0.323 0.000 0.747 498 L CB -0.579 41.205 42.059 -0.460 0.000 0.896 498 L HN 0.407 nan 8.230 nan 0.000 0.432 499 L N -0.531 120.410 121.223 -0.469 0.000 2.046 499 L HA -0.190 4.148 4.340 -0.004 0.000 0.208 499 L C 2.709 179.395 176.870 -0.307 0.000 1.077 499 L CA 1.188 55.689 54.840 -0.565 0.000 0.747 499 L CB -1.112 40.245 42.059 -1.169 0.000 0.896 499 L HN 0.400 nan 8.230 nan 0.000 0.432 500 A N 0.173 122.898 122.820 -0.158 0.000 1.877 500 A HA -0.232 4.085 4.320 -0.004 0.000 0.216 500 A C 2.221 179.783 177.584 -0.038 0.000 1.186 500 A CA 1.854 53.901 52.037 0.017 0.000 0.620 500 A CB -0.703 18.324 19.000 0.044 0.000 0.822 500 A HN 0.327 nan 8.150 nan 0.000 0.443 501 L N -0.279 120.889 121.223 -0.092 0.000 2.093 501 L HA -0.043 4.295 4.340 -0.004 0.000 0.208 501 L C 2.234 179.029 176.870 -0.124 0.000 1.085 501 L CA 2.505 57.286 54.840 -0.097 0.000 0.755 501 L CB -0.571 41.421 42.059 -0.111 0.000 0.904 501 L HN 0.432 nan 8.230 nan 0.000 0.435 502 K N -0.412 119.892 120.400 -0.159 0.000 2.103 502 K HA -0.174 4.144 4.320 -0.004 0.000 0.207 502 K C 2.071 178.611 176.600 -0.101 0.000 1.048 502 K CA 1.899 58.089 56.287 -0.161 0.000 0.930 502 K CB -0.209 32.175 32.500 -0.194 0.000 0.716 502 K HN 0.417 nan 8.250 nan 0.000 0.444 503 I N 0.025 120.559 120.570 -0.060 0.000 2.202 503 I HA -0.280 3.887 4.170 -0.004 0.000 0.242 503 I C 2.511 178.631 176.117 0.006 0.000 1.091 503 I CA 1.110 62.412 61.300 0.004 0.000 1.368 503 I CB -0.378 37.663 38.000 0.069 0.000 1.058 503 I HN 0.249 nan 8.210 nan 0.000 0.410 504 S N 1.087 116.785 115.700 -0.003 0.000 2.365 504 S HA -0.196 4.272 4.470 -0.004 0.000 0.225 504 S C 2.031 176.636 174.600 0.008 0.000 1.039 504 S CA 1.615 59.821 58.200 0.011 0.000 1.033 504 S CB -0.323 62.878 63.200 0.001 0.000 0.887 504 S HN 0.312 nan 8.310 nan 0.000 0.447 505 I N 0.617 121.157 120.570 -0.051 0.000 2.202 505 I HA -0.130 4.038 4.170 -0.004 0.000 0.242 505 I C 2.631 178.738 176.117 -0.017 0.000 1.091 505 I CA 1.477 62.730 61.300 -0.078 0.000 1.368 505 I CB -0.832 36.997 38.000 -0.286 0.000 1.058 505 I HN 0.313 nan 8.210 nan 0.000 0.410 506 T N 0.033 114.569 114.554 -0.030 0.000 2.708 506 T HA -0.143 4.205 4.350 -0.004 0.000 0.266 506 T C 2.108 176.837 174.700 0.047 0.000 1.037 506 T CA 1.846 63.955 62.100 0.015 0.000 1.146 506 T CB -0.186 68.685 68.868 0.006 0.000 0.865 506 T HN 0.245 nan 8.240 nan 0.000 0.435 507 S N 0.811 116.538 115.700 0.044 0.000 2.387 507 S HA 0.024 4.492 4.470 -0.004 0.000 0.226 507 S C 2.434 177.076 174.600 0.070 0.000 1.026 507 S CA 0.931 59.163 58.200 0.054 0.000 0.972 507 S CB -0.728 62.502 63.200 0.049 0.000 0.814 507 S HN 0.629 nan 8.310 nan 0.000 0.477 508 G N 1.761 110.613 108.800 0.087 0.000 2.422 508 G HA2 -0.134 3.824 3.960 -0.004 0.000 0.218 508 G HA3 -0.134 3.824 3.960 -0.004 0.000 0.218 508 G C 1.324 176.326 174.900 0.170 0.000 1.146 508 G CA 0.555 45.737 45.100 0.135 0.000 0.769 508 G HN 0.476 nan 8.290 nan 0.000 0.547 509 I N 0.221 120.889 120.570 0.163 0.000 2.226 509 I HA -0.199 3.969 4.170 -0.004 0.000 0.245 509 I C 3.039 179.248 176.117 0.155 0.000 1.100 509 I CA 0.982 62.391 61.300 0.181 0.000 1.374 509 I CB -0.146 37.956 38.000 0.171 0.000 1.057 509 I HN 0.141 nan 8.210 nan 0.000 0.413 510 Q N 0.661 120.526 119.800 0.108 0.000 2.050 510 Q HA -0.258 4.080 4.340 -0.004 0.000 0.202 510 Q C 2.195 178.264 176.000 0.116 0.000 0.980 510 Q CA 1.587 57.447 55.803 0.095 0.000 0.840 510 Q CB -0.378 28.397 28.738 0.062 0.000 0.898 510 Q HN 0.501 nan 8.270 nan 0.000 0.424 511 K N 0.241 120.694 120.400 0.089 0.000 2.001 511 K HA -0.067 4.251 4.320 -0.004 0.000 0.208 511 K C 2.061 178.699 176.600 0.063 0.000 1.048 511 K CA 1.109 57.430 56.287 0.056 0.000 0.932 511 K CB -0.072 32.439 32.500 0.019 0.000 0.715 511 K HN 0.111 nan 8.250 nan 0.000 0.437 512 A N 0.342 123.216 122.820 0.091 0.000 1.902 512 A HA -0.200 4.118 4.320 -0.004 0.000 0.217 512 A C 2.075 179.745 177.584 0.143 0.000 1.181 512 A CA 1.416 53.518 52.037 0.108 0.000 0.623 512 A CB -0.888 18.230 19.000 0.198 0.000 0.818 512 A HN 0.587 nan 8.150 nan 0.000 0.443 513 Y N 0.283 120.621 120.300 0.064 0.000 2.145 513 Y HA -0.209 4.338 4.550 -0.004 0.000 0.286 513 Y C 2.546 178.457 175.900 0.018 0.000 1.145 513 Y CA 2.203 60.318 58.100 0.025 0.000 1.148 513 Y CB -0.290 38.133 38.460 -0.062 0.000 0.981 513 Y HN 0.307 nan 8.280 nan 0.000 0.507 514 R N 0.219 120.780 120.500 0.101 0.000 2.127 514 R HA -0.178 4.159 4.340 -0.004 0.000 0.238 514 R C 1.199 177.472 176.300 -0.044 0.000 1.134 514 R CA 1.801 57.916 56.100 0.025 0.000 0.975 514 R CB -0.261 30.079 30.300 0.067 0.000 0.865 514 R HN 0.353 nan 8.270 nan 0.000 0.447 515 N N -0.448 118.236 118.700 -0.026 0.000 2.412 515 N HA 0.036 4.774 4.740 -0.004 0.000 0.184 515 N C 0.660 176.148 175.510 -0.036 0.000 1.101 515 N CA 1.052 54.085 53.050 -0.027 0.000 0.881 515 N CB 0.739 39.218 38.487 -0.013 0.000 0.969 515 N HN 0.464 nan 8.380 nan 0.000 0.459 516 G N 1.179 109.936 108.800 -0.070 0.000 2.160 516 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.251 516 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.251 516 G C -0.270 174.651 174.900 0.035 0.000 1.008 516 G CA 0.247 45.327 45.100 -0.034 0.000 0.724 516 G HN 0.376 nan 8.290 nan 0.000 0.514 517 D N 0.453 120.891 120.400 0.063 0.000 2.517 517 D HA 0.287 4.925 4.640 -0.004 0.000 0.220 517 D C 1.672 178.057 176.300 0.143 0.000 1.158 517 D CA -0.324 53.728 54.000 0.087 0.000 0.992 517 D CB -0.010 40.837 40.800 0.079 0.000 1.058 517 D HN 0.441 nan 8.370 nan 0.000 0.516 518 K N 1.266 121.728 120.400 0.104 0.000 2.209 518 K HA -0.117 4.201 4.320 -0.004 0.000 0.204 518 K C 1.500 178.153 176.600 0.089 0.000 1.048 518 K CA 0.778 57.123 56.287 0.096 0.000 0.940 518 K CB 0.415 32.894 32.500 -0.036 0.000 0.729 518 K HN 0.463 nan 8.250 nan 0.000 0.451 519 E N -0.005 120.244 120.200 0.081 0.000 2.077 519 E HA -0.203 4.144 4.350 -0.004 0.000 0.193 519 E C 2.069 178.733 176.600 0.106 0.000 0.989 519 E CA 0.943 57.388 56.400 0.075 0.000 0.800 519 E CB -0.075 29.665 29.700 0.067 0.000 0.746 519 E HN 0.402 nan 8.360 nan 0.000 0.452 520 H N 0.726 119.833 119.070 0.062 0.000 2.363 520 H HA -0.012 4.542 4.556 -0.003 0.000 0.301 520 H C 2.320 177.709 175.328 0.102 0.000 1.074 520 H CA 0.896 56.988 56.048 0.074 0.000 1.354 520 H CB 0.121 29.925 29.762 0.071 0.000 1.397 520 H HN 0.109 nan 8.280 nan 0.000 0.516 521 L N -0.277 121.079 121.223 0.221 0.000 2.042 521 L HA -0.200 4.138 4.340 -0.004 0.000 0.210 521 L C 2.905 179.844 176.870 0.114 0.000 1.076 521 L CA 1.276 56.234 54.840 0.197 0.000 0.749 521 L CB -0.480 41.737 42.059 0.263 0.000 0.893 521 L HN 0.182 nan 8.230 nan 0.000 0.432 522 S N -0.575 115.171 115.700 0.077 0.000 2.368 522 S HA -0.165 4.303 4.470 -0.004 0.000 0.224 522 S C 2.161 176.770 174.600 0.014 0.000 1.029 522 S CA 1.163 59.385 58.200 0.036 0.000 0.988 522 S CB -0.113 63.100 63.200 0.022 0.000 0.838 522 S HN 0.452 nan 8.310 nan 0.000 0.462 523 A N 1.566 124.371 122.820 -0.024 0.000 1.892 523 A HA -0.082 4.236 4.320 -0.004 0.000 0.218 523 A C 2.176 179.743 177.584 -0.029 0.000 1.188 523 A CA 1.728 53.725 52.037 -0.068 0.000 0.631 523 A CB -0.916 17.973 19.000 -0.186 0.000 0.822 523 A HN 0.571 nan 8.150 nan 0.000 0.447 524 L N -0.988 120.231 121.223 -0.006 0.000 1.994 524 L HA -0.186 4.152 4.340 -0.004 0.000 0.208 524 L C 3.156 180.221 176.870 0.325 0.000 1.071 524 L CA 1.149 56.072 54.840 0.139 0.000 0.745 524 L CB -0.729 41.456 42.059 0.210 0.000 0.892 524 L HN 0.434 nan 8.230 nan 0.000 0.431 525 A N -0.216 122.729 122.820 0.209 0.000 1.917 525 A HA -0.211 4.107 4.320 -0.004 0.000 0.219 525 A C 2.175 179.805 177.584 0.078 0.000 1.182 525 A CA 1.877 53.938 52.037 0.040 0.000 0.633 525 A CB -0.324 18.618 19.000 -0.097 0.000 0.819 525 A HN 0.433 nan 8.150 nan 0.000 0.448 526 E N -0.753 119.485 120.200 0.063 0.000 2.276 526 E HA 0.027 4.375 4.350 -0.004 0.000 0.193 526 E C 1.707 178.339 176.600 0.053 0.000 0.983 526 E CA 0.869 57.291 56.400 0.038 0.000 0.861 526 E CB -0.028 29.679 29.700 0.011 0.000 0.817 526 E HN 0.701 nan 8.360 nan 0.000 0.485 527 K N 0.322 120.760 120.400 0.063 0.000 2.273 527 K HA 0.066 4.384 4.320 -0.004 0.000 0.206 527 K C 1.487 178.122 176.600 0.058 0.000 1.072 527 K CA 0.669 56.983 56.287 0.045 0.000 0.953 527 K CB 0.226 32.735 32.500 0.016 0.000 1.043 527 K HN -0.114 nan 8.250 nan 0.000 0.477 528 D N 0.671 121.111 120.400 0.066 0.000 2.149 528 D HA -0.066 4.571 4.640 -0.004 0.000 0.201 528 D C 1.503 177.800 176.300 -0.005 0.000 0.972 528 D CA 0.936 54.941 54.000 0.008 0.000 0.835 528 D CB -0.029 40.746 40.800 -0.041 0.000 0.966 528 D HN -0.005 nan 8.370 nan 0.000 0.476 529 F N 0.701 120.658 119.950 0.012 0.000 2.075 529 F HA -0.059 4.465 4.527 -0.004 0.000 0.297 529 F C -0.645 175.183 175.800 0.048 0.000 1.113 529 F CA 1.018 59.037 58.000 0.032 0.000 1.218 529 F CB -1.381 37.634 39.000 0.025 0.000 0.984 529 F HN 0.035 nan 8.300 nan 0.000 0.472 530 P HA -0.238 nan 4.420 nan 0.000 0.216 530 P C 1.470 178.834 177.300 0.106 0.000 1.150 530 P CA 1.703 64.873 63.100 0.117 0.000 0.843 530 P CB -0.198 31.540 31.700 0.062 0.000 0.787 531 Q N -0.711 119.125 119.800 0.061 0.000 2.050 531 Q HA -0.187 4.150 4.340 -0.004 0.000 0.202 531 Q C 2.056 178.060 176.000 0.007 0.000 0.980 531 Q CA 1.290 57.107 55.803 0.024 0.000 0.840 531 Q CB -0.729 28.005 28.738 -0.006 0.000 0.898 531 Q HN 0.066 nan 8.270 nan 0.000 0.424 532 L N 0.050 121.258 121.223 -0.025 0.000 2.012 532 L HA -0.201 4.137 4.340 -0.004 0.000 0.210 532 L C 2.183 179.052 176.870 -0.001 0.000 1.073 532 L CA 1.960 56.757 54.840 -0.071 0.000 0.748 532 L CB -0.938 41.016 42.059 -0.175 0.000 0.891 532 L HN 0.364 nan 8.230 nan 0.000 0.431 533 Y N -0.188 120.094 120.300 -0.030 0.000 2.181 533 Y HA -0.320 4.227 4.550 -0.004 0.000 0.288 533 Y C 2.777 178.665 175.900 -0.020 0.000 1.146 533 Y CA 2.191 60.291 58.100 0.000 0.000 1.164 533 Y CB -0.203 38.287 38.460 0.051 0.000 0.982 533 Y HN 0.403 nan 8.280 nan 0.000 0.515 534 Q N 0.110 120.019 119.800 0.181 0.000 2.124 534 Q HA -0.190 4.148 4.340 -0.004 0.000 0.202 534 Q C 2.136 178.129 176.000 -0.012 0.000 0.977 534 Q CA 2.147 58.004 55.803 0.089 0.000 0.850 534 Q CB -0.344 28.440 28.738 0.077 0.000 0.901 534 Q HN 0.595 nan 8.270 nan 0.000 0.429 535 M N -1.276 118.300 119.600 -0.040 0.000 2.159 535 M HA -0.149 4.329 4.480 -0.004 0.000 0.263 535 M C 1.913 178.141 176.300 -0.120 0.000 1.063 535 M CA 1.043 56.297 55.300 -0.078 0.000 1.110 535 M CB -0.042 32.495 32.600 -0.105 0.000 1.374 535 M HN 0.083 nan 8.290 nan 0.000 0.411 536 V N 0.336 120.142 119.914 -0.180 0.000 2.307 536 V HA -0.233 3.885 4.120 -0.004 0.000 0.245 536 V C 2.110 178.035 176.094 -0.283 0.000 1.045 536 V CA 1.789 63.930 62.300 -0.264 0.000 1.024 536 V CB -0.733 30.901 31.823 -0.315 0.000 0.651 536 V HN 0.466 nan 8.190 nan 0.000 0.449 537 E N 0.075 120.125 120.200 -0.249 0.000 2.058 537 E HA -0.256 4.092 4.350 -0.004 0.000 0.194 537 E C 1.978 178.502 176.600 -0.127 0.000 0.997 537 E CA 1.618 57.906 56.400 -0.186 0.000 0.801 537 E CB -0.263 29.380 29.700 -0.096 0.000 0.746 537 E HN 0.605 nan 8.360 nan 0.000 0.450 538 D N 0.237 120.591 120.400 -0.078 0.000 2.144 538 D HA -0.139 4.499 4.640 -0.004 0.000 0.199 538 D C 1.666 177.941 176.300 -0.041 0.000 0.984 538 D CA 0.634 54.609 54.000 -0.041 0.000 0.834 538 D CB -0.362 40.430 40.800 -0.013 0.000 0.955 538 D HN 0.081 nan 8.370 nan 0.000 0.465 539 F N 1.438 121.256 119.950 -0.220 0.000 2.134 539 F HA -0.196 4.329 4.527 -0.003 0.000 0.299 539 F C 2.531 178.175 175.800 -0.259 0.000 1.097 539 F CA 1.376 59.221 58.000 -0.258 0.000 1.264 539 F CB -0.449 38.315 39.000 -0.393 0.000 1.001 539 F HN -0.150 nan 8.300 nan 0.000 0.479 540 S N 0.011 115.409 115.700 -0.503 0.000 2.370 540 S HA -0.224 4.244 4.470 -0.004 0.000 0.226 540 S C 1.843 176.376 174.600 -0.112 0.000 1.033 540 S CA 1.915 59.853 58.200 -0.436 0.000 1.011 540 S CB -0.620 62.381 63.200 -0.332 0.000 0.852 540 S HN 0.493 nan 8.310 nan 0.000 0.457 541 D N 0.575 120.912 120.400 -0.106 0.000 2.097 541 D HA -0.102 4.536 4.640 -0.004 0.000 0.195 541 D C 2.110 178.387 176.300 -0.038 0.000 0.989 541 D CA 1.363 55.337 54.000 -0.043 0.000 0.827 541 D CB -0.621 40.159 40.800 -0.034 0.000 0.966 541 D HN 0.481 nan 8.370 nan 0.000 0.456 542 Q N -0.055 119.700 119.800 -0.074 0.000 2.046 542 Q HA -0.118 4.220 4.340 -0.004 0.000 0.200 542 Q C 1.987 177.958 176.000 -0.047 0.000 0.975 542 Q CA 1.065 56.840 55.803 -0.045 0.000 0.836 542 Q CB -0.777 27.944 28.738 -0.030 0.000 0.896 542 Q HN 0.283 nan 8.270 nan 0.000 0.428 543 F N 0.406 120.179 119.950 -0.296 0.000 2.126 543 F HA -0.205 4.320 4.527 -0.003 0.000 0.299 543 F C 2.049 177.897 175.800 0.080 0.000 1.096 543 F CA 1.911 59.822 58.000 -0.147 0.000 1.255 543 F CB -0.460 38.385 39.000 -0.260 0.000 0.997 543 F HN 0.066 nan 8.300 nan 0.000 0.479 544 S N 0.296 116.023 115.700 0.045 0.000 2.382 544 S HA -0.161 4.306 4.470 -0.004 0.000 0.228 544 S C 1.941 176.535 174.600 -0.010 0.000 1.027 544 S CA 1.192 59.399 58.200 0.012 0.000 0.991 544 S CB -0.324 62.905 63.200 0.047 0.000 0.823 544 S HN 0.408 nan 8.310 nan 0.000 0.469 545 R N 1.121 121.612 120.500 -0.015 0.000 2.073 545 R HA -0.131 4.206 4.340 -0.004 0.000 0.234 545 R C 2.655 178.954 176.300 -0.001 0.000 1.134 545 R CA 1.486 57.581 56.100 -0.008 0.000 0.952 545 R CB -0.360 29.942 30.300 0.002 0.000 0.850 545 R HN 0.496 nan 8.270 nan 0.000 0.433 546 Q N 0.225 120.040 119.800 0.025 0.000 2.061 546 Q HA -0.228 4.110 4.340 -0.004 0.000 0.204 546 Q C 1.910 177.937 176.000 0.046 0.000 0.984 546 Q CA 1.586 57.478 55.803 0.148 0.000 0.846 546 Q CB -0.216 28.570 28.738 0.080 0.000 0.902 546 Q HN 0.513 nan 8.270 nan 0.000 0.421 547 W N 1.336 122.426 121.300 -0.350 0.000 2.355 547 W HA -0.200 4.458 4.660 -0.004 0.000 0.309 547 W C 1.588 178.037 176.519 -0.117 0.000 1.206 547 W CA 1.772 58.946 57.345 -0.284 0.000 1.284 547 W CB -0.259 28.964 29.460 -0.396 0.000 1.145 547 W HN 0.349 nan 8.180 nan 0.000 0.502 548 Q N -0.051 119.871 119.800 0.203 0.000 2.224 548 Q HA -0.274 4.064 4.340 -0.004 0.000 0.203 548 Q C 2.092 178.085 176.000 -0.012 0.000 0.970 548 Q CA 1.783 57.657 55.803 0.118 0.000 0.865 548 Q CB -0.318 28.471 28.738 0.085 0.000 0.922 548 Q HN 0.258 nan 8.270 nan 0.000 0.445 549 Q N 1.192 120.955 119.800 -0.062 0.000 2.167 549 Q HA -0.163 4.175 4.340 -0.004 0.000 0.202 549 Q C 1.102 177.069 176.000 -0.055 0.000 0.970 549 Q CA 1.632 57.353 55.803 -0.135 0.000 0.855 549 Q CB 0.259 28.784 28.738 -0.354 0.000 0.911 549 Q HN 0.395 nan 8.270 nan 0.000 0.438 550 E N -0.891 119.295 120.200 -0.023 0.000 2.290 550 E HA 0.173 4.521 4.350 -0.004 0.000 0.197 550 E C -0.122 176.419 176.600 -0.099 0.000 0.948 550 E CA 0.113 56.535 56.400 0.036 0.000 0.895 550 E CB 0.445 30.196 29.700 0.085 0.000 0.865 550 E HN 0.332 nan 8.360 nan 0.000 0.486 551 N N 0.357 118.892 118.700 -0.275 0.000 2.380 551 N HA 0.232 4.970 4.740 -0.004 0.000 0.290 551 N C -1.007 174.405 175.510 -0.164 0.000 1.236 551 N CA -0.723 52.094 53.050 -0.387 0.000 0.780 551 N CB 1.929 39.751 38.487 -1.107 0.000 1.438 551 N HN -0.182 nan 8.380 nan 0.000 0.491 552 K N 0.542 120.912 120.400 -0.049 0.000 2.230 552 K HA 0.080 4.398 4.320 -0.004 0.000 0.253 552 K C 0.861 177.589 176.600 0.213 0.000 1.008 552 K CA -0.280 56.061 56.287 0.090 0.000 0.910 552 K CB 0.731 33.330 32.500 0.166 0.000 0.994 552 K HN 0.431 nan 8.250 nan 0.000 0.495 553 I N 1.353 121.962 120.570 0.064 0.000 2.394 553 I HA -0.129 4.039 4.170 -0.004 0.000 0.251 553 I C 0.141 176.262 176.117 0.008 0.000 1.136 553 I CA 0.866 62.171 61.300 0.008 0.000 1.425 553 I CB -0.045 37.791 38.000 -0.274 0.000 1.079 553 I HN 0.338 nan 8.210 nan 0.000 0.425 554 F N 1.408 121.479 119.950 0.201 0.000 2.607 554 F HA 0.363 4.888 4.527 -0.004 0.000 0.374 554 F C 1.746 177.691 175.800 0.241 0.000 1.104 554 F CA 0.891 58.986 58.000 0.158 0.000 1.296 554 F CB -0.309 38.758 39.000 0.112 0.000 1.085 554 F HN 0.234 nan 8.300 nan 0.000 0.584 555 G N 1.822 110.782 108.800 0.268 0.000 2.258 555 G HA2 -0.333 3.625 3.960 -0.004 0.000 0.233 555 G HA3 -0.333 3.625 3.960 -0.004 0.000 0.233 555 G C 0.922 175.698 174.900 -0.206 0.000 1.006 555 G CA 0.224 45.433 45.100 0.181 0.000 0.620 555 G HN 0.671 nan 8.290 nan 0.000 0.511 556 L N 2.394 123.333 121.223 -0.474 0.000 2.191 556 L HA 0.069 4.407 4.340 -0.004 0.000 0.212 556 L C 2.580 179.153 176.870 -0.495 0.000 1.103 556 L CA 3.000 57.261 54.840 -0.964 0.000 0.769 556 L CB -0.543 40.937 42.059 -0.965 0.000 0.908 556 L HN 0.538 nan 8.230 nan 0.000 0.438 557 D N -2.472 117.751 120.400 -0.294 0.000 2.149 557 D HA -0.229 4.409 4.640 -0.004 0.000 0.198 557 D C 1.769 177.918 176.300 -0.251 0.000 0.990 557 D CA 1.864 55.732 54.000 -0.220 0.000 0.839 557 D CB -0.905 39.807 40.800 -0.147 0.000 0.948 557 D HN 0.309 nan 8.370 nan 0.000 0.460 558 T N 0.565 114.956 114.554 -0.272 0.000 2.746 558 T HA 0.002 4.350 4.350 -0.004 0.000 0.267 558 T C 2.122 176.546 174.700 -0.461 0.000 1.039 558 T CA 0.959 62.862 62.100 -0.328 0.000 1.142 558 T CB -0.230 68.474 68.868 -0.274 0.000 0.866 558 T HN 0.216 nan 8.240 nan 0.000 0.444 559 I N 0.979 121.259 120.570 -0.483 0.000 2.315 559 I HA -0.133 4.035 4.170 -0.004 0.000 0.248 559 I C 2.288 178.070 176.117 -0.559 0.000 1.117 559 I CA 0.934 61.857 61.300 -0.629 0.000 1.404 559 I CB -0.321 37.302 38.000 -0.628 0.000 1.071 559 I HN 0.108 nan 8.210 nan 0.000 0.419 560 D N 1.189 121.397 120.400 -0.319 0.000 2.123 560 D HA -0.174 4.463 4.640 -0.004 0.000 0.196 560 D C 2.248 178.470 176.300 -0.130 0.000 0.992 560 D CA 1.466 55.385 54.000 -0.134 0.000 0.833 560 D CB -0.169 40.564 40.800 -0.111 0.000 0.954 560 D HN 0.333 nan 8.370 nan 0.000 0.455 561 I N 0.602 121.037 120.570 -0.225 0.000 2.179 561 I HA -0.256 3.912 4.170 -0.004 0.000 0.242 561 I C 2.561 178.535 176.117 -0.238 0.000 1.088 561 I CA 1.080 62.257 61.300 -0.205 0.000 1.357 561 I CB -0.090 37.764 38.000 -0.244 0.000 1.051 561 I HN -0.070 nan 8.210 nan 0.000 0.409 562 R N -0.061 120.142 120.500 -0.496 0.000 2.073 562 R HA -0.138 4.200 4.340 -0.004 0.000 0.234 562 R C 2.351 178.668 176.300 0.029 0.000 1.134 562 R CA 1.448 57.210 56.100 -0.563 0.000 0.952 562 R CB -0.440 29.190 30.300 -1.117 0.000 0.850 562 R HN 0.175 nan 8.270 nan 0.000 0.433 563 F N 0.306 120.266 119.950 0.016 0.000 2.134 563 F HA -0.043 4.482 4.527 -0.004 0.000 0.299 563 F C 2.570 178.381 175.800 0.018 0.000 1.097 563 F CA 1.279 59.313 58.000 0.057 0.000 1.264 563 F CB -1.347 37.655 39.000 0.002 0.000 1.001 563 F HN 0.134 nan 8.300 nan 0.000 0.479 564 G N -0.400 108.511 108.800 0.186 0.000 2.422 564 G HA2 -0.153 3.804 3.960 -0.004 0.000 0.218 564 G HA3 -0.153 3.804 3.960 -0.004 0.000 0.218 564 G C 2.068 177.045 174.900 0.129 0.000 1.146 564 G CA 0.879 46.047 45.100 0.113 0.000 0.769 564 G HN 0.529 nan 8.290 nan 0.000 0.547 565 G N 0.814 109.705 108.800 0.152 0.000 2.418 565 G HA2 -0.125 3.832 3.960 -0.004 0.000 0.217 565 G HA3 -0.125 3.832 3.960 -0.004 0.000 0.217 565 G C 1.733 176.760 174.900 0.212 0.000 1.158 565 G CA 1.023 46.239 45.100 0.193 0.000 0.771 565 G HN 0.405 nan 8.290 nan 0.000 0.545 566 L N 0.618 121.994 121.223 0.255 0.000 2.012 566 L HA 0.030 4.368 4.340 -0.004 0.000 0.210 566 L C 2.715 179.670 176.870 0.141 0.000 1.073 566 L CA 1.465 56.445 54.840 0.233 0.000 0.748 566 L CB -0.588 41.652 42.059 0.301 0.000 0.891 566 L HN 0.224 nan 8.230 nan 0.000 0.431 567 L N -0.617 120.650 121.223 0.074 0.000 2.012 567 L HA -0.239 4.099 4.340 -0.004 0.000 0.210 567 L C 2.622 179.629 176.870 0.228 0.000 1.073 567 L CA 1.623 56.457 54.840 -0.010 0.000 0.748 567 L CB -0.646 41.290 42.059 -0.206 0.000 0.891 567 L HN 0.242 nan 8.230 nan 0.000 0.431 568 K N -0.017 120.499 120.400 0.193 0.000 2.097 568 K HA -0.142 4.176 4.320 -0.004 0.000 0.206 568 K C 2.215 178.918 176.600 0.172 0.000 1.049 568 K CA 1.226 57.626 56.287 0.188 0.000 0.933 568 K CB -0.019 32.565 32.500 0.140 0.000 0.717 568 K HN 0.001 nan 8.250 nan 0.000 0.442 569 R N 0.101 120.701 120.500 0.167 0.000 2.115 569 R HA 0.049 4.386 4.340 -0.004 0.000 0.226 569 R C 2.251 178.664 176.300 0.188 0.000 1.100 569 R CA 1.015 57.206 56.100 0.152 0.000 0.980 569 R CB -0.512 29.873 30.300 0.142 0.000 0.875 569 R HN 0.333 nan 8.270 nan 0.000 0.445 570 I N 0.713 121.427 120.570 0.241 0.000 2.202 570 I HA -0.253 3.915 4.170 -0.004 0.000 0.242 570 I C 2.255 178.578 176.117 0.343 0.000 1.091 570 I CA 1.273 62.784 61.300 0.351 0.000 1.368 570 I CB -0.218 37.996 38.000 0.356 0.000 1.058 570 I HN 0.077 nan 8.210 nan 0.000 0.410 571 K N 0.386 120.953 120.400 0.278 0.000 2.063 571 K HA -0.257 4.061 4.320 -0.004 0.000 0.208 571 K C 2.274 178.898 176.600 0.040 0.000 1.048 571 K CA 1.515 57.875 56.287 0.122 0.000 0.928 571 K CB -0.199 32.360 32.500 0.098 0.000 0.713 571 K HN 0.051 nan 8.250 nan 0.000 0.442 572 R N 1.159 121.700 120.500 0.069 0.000 2.081 572 R HA -0.105 4.233 4.340 -0.004 0.000 0.235 572 R C 1.965 178.258 176.300 -0.012 0.000 1.131 572 R CA 1.783 57.900 56.100 0.028 0.000 0.960 572 R CB -0.663 29.666 30.300 0.048 0.000 0.856 572 R HN 0.207 nan 8.270 nan 0.000 0.436 573 A N 0.284 123.119 122.820 0.026 0.000 1.877 573 A HA -0.237 4.081 4.320 -0.004 0.000 0.216 573 A C 2.183 179.578 177.584 -0.314 0.000 1.186 573 A CA 1.662 53.690 52.037 -0.016 0.000 0.620 573 A CB -0.746 18.397 19.000 0.239 0.000 0.822 573 A HN 0.595 nan 8.150 nan 0.000 0.443 574 Q N -0.630 118.845 119.800 -0.543 0.000 2.061 574 Q HA -0.266 4.072 4.340 -0.004 0.000 0.204 574 Q C 2.160 177.970 176.000 -0.317 0.000 0.984 574 Q CA 2.060 57.438 55.803 -0.709 0.000 0.846 574 Q CB -0.183 28.239 28.738 -0.526 0.000 0.902 574 Q HN 0.829 nan 8.270 nan 0.000 0.421 575 E N -0.408 119.686 120.200 -0.176 0.000 2.051 575 E HA -0.211 4.137 4.350 -0.004 0.000 0.192 575 E C 2.095 178.655 176.600 -0.067 0.000 0.991 575 E CA 0.699 57.041 56.400 -0.097 0.000 0.799 575 E CB 0.120 29.786 29.700 -0.056 0.000 0.748 575 E HN 0.214 nan 8.360 nan 0.000 0.449 576 R N 0.336 120.797 120.500 -0.065 0.000 2.081 576 R HA -0.111 4.227 4.340 -0.004 0.000 0.235 576 R C 2.579 178.881 176.300 0.003 0.000 1.131 576 R CA 0.893 56.975 56.100 -0.030 0.000 0.960 576 R CB -0.778 29.494 30.300 -0.046 0.000 0.856 576 R HN 0.341 nan 8.270 nan 0.000 0.436 577 L N 0.739 121.935 121.223 -0.044 0.000 2.046 577 L HA -0.167 4.171 4.340 -0.004 0.000 0.208 577 L C 2.335 179.252 176.870 0.078 0.000 1.077 577 L CA 1.402 56.266 54.840 0.039 0.000 0.747 577 L CB -0.423 41.613 42.059 -0.039 0.000 0.896 577 L HN 0.229 nan 8.230 nan 0.000 0.432 578 E N -0.277 119.914 120.200 -0.014 0.000 2.085 578 E HA -0.272 4.076 4.350 -0.004 0.000 0.194 578 E C 2.247 178.863 176.600 0.027 0.000 0.994 578 E CA 1.166 57.562 56.400 -0.007 0.000 0.801 578 E CB -0.073 29.599 29.700 -0.047 0.000 0.743 578 E HN 0.542 nan 8.360 nan 0.000 0.453 579 Q N -0.359 119.468 119.800 0.046 0.000 2.124 579 Q HA -0.165 4.173 4.340 -0.004 0.000 0.202 579 Q C 1.975 178.049 176.000 0.122 0.000 0.977 579 Q CA 1.062 56.904 55.803 0.064 0.000 0.850 579 Q CB -0.139 28.634 28.738 0.058 0.000 0.901 579 Q HN 0.253 nan 8.270 nan 0.000 0.429 580 F N 1.044 121.006 119.950 0.020 0.000 2.113 580 F HA -0.149 4.376 4.527 -0.003 0.000 0.297 580 F C 1.824 177.649 175.800 0.042 0.000 1.103 580 F CA 1.108 59.141 58.000 0.055 0.000 1.248 580 F CB -0.194 38.873 39.000 0.113 0.000 0.999 580 F HN -0.070 nan 8.300 nan 0.000 0.475 581 I N 0.195 120.754 120.570 -0.017 0.000 2.226 581 I HA -0.317 3.851 4.170 -0.004 0.000 0.245 581 I C 2.578 178.606 176.117 -0.149 0.000 1.100 581 I CA 1.701 62.920 61.300 -0.135 0.000 1.374 581 I CB -0.633 37.363 38.000 -0.007 0.000 1.057 581 I HN 0.309 nan 8.210 nan 0.000 0.413 582 S N 0.158 115.809 115.700 -0.081 0.000 2.522 582 S HA 0.108 4.576 4.470 -0.004 0.000 0.227 582 S C 1.744 176.296 174.600 -0.079 0.000 0.986 582 S CA 0.515 58.675 58.200 -0.066 0.000 0.929 582 S CB 0.070 63.250 63.200 -0.033 0.000 0.769 582 S HN 0.637 nan 8.310 nan 0.000 0.529 583 G N 0.904 109.639 108.800 -0.108 0.000 2.157 583 G HA2 -0.341 3.617 3.960 -0.004 0.000 0.248 583 G HA3 -0.341 3.617 3.960 -0.004 0.000 0.248 583 G C 0.582 175.467 174.900 -0.025 0.000 0.979 583 G CA 0.475 45.520 45.100 -0.091 0.000 0.650 583 G HN 0.565 nan 8.290 nan 0.000 0.529 584 Q N -0.009 119.790 119.800 -0.002 0.000 2.170 584 Q HA 0.120 4.458 4.340 -0.004 0.000 0.203 584 Q C 1.531 177.559 176.000 0.046 0.000 0.976 584 Q CA 1.486 57.300 55.803 0.019 0.000 0.858 584 Q CB -0.084 28.665 28.738 0.020 0.000 0.907 584 Q HN 0.984 nan 8.270 nan 0.000 0.433 585 I N -3.312 117.311 120.570 0.088 0.000 2.689 585 I HA 0.352 4.520 4.170 -0.004 0.000 0.299 585 I C -0.652 175.589 176.117 0.207 0.000 1.059 585 I CA -0.982 60.397 61.300 0.131 0.000 1.055 585 I CB 1.922 40.007 38.000 0.143 0.000 1.243 585 I HN -0.255 nan 8.210 nan 0.000 0.425 586 D N 2.653 123.168 120.400 0.192 0.000 2.348 586 D HA 0.122 4.760 4.640 -0.004 0.000 0.211 586 D C 0.325 176.864 176.300 0.398 0.000 0.998 586 D CA 0.783 54.920 54.000 0.228 0.000 0.873 586 D CB 0.239 41.117 40.800 0.131 0.000 0.925 586 D HN 0.761 nan 8.370 nan 0.000 0.524 587 C N -2.242 117.265 119.300 0.344 0.000 3.311 587 C HA 0.686 5.144 4.460 -0.004 0.000 0.325 587 C C -0.715 174.308 174.990 0.054 0.000 1.352 587 C CA -1.035 58.122 59.018 0.231 0.000 1.308 587 C CB 1.294 29.134 27.740 0.167 0.000 1.619 587 C HN -0.138 nan 8.230 nan 0.000 0.469 588 V N 2.036 121.842 119.914 -0.180 0.000 2.293 588 V HA 0.332 4.450 4.120 -0.004 0.000 0.275 588 V C 1.111 177.032 176.094 -0.288 0.000 1.021 588 V CA 0.356 62.473 62.300 -0.305 0.000 0.815 588 V CB 0.599 32.088 31.823 -0.557 0.000 1.025 588 V HN 1.096 nan 8.190 nan 0.000 0.448 589 E N 2.766 122.886 120.200 -0.132 0.000 2.153 589 E HA -0.232 4.116 4.350 -0.004 0.000 0.194 589 E C 1.575 178.102 176.600 -0.122 0.000 0.988 589 E CA 1.595 57.942 56.400 -0.089 0.000 0.811 589 E CB 0.365 30.041 29.700 -0.040 0.000 0.746 589 E HN 0.849 nan 8.360 nan 0.000 0.466 590 E N 0.357 120.469 120.200 -0.147 0.000 2.085 590 E HA -0.183 4.165 4.350 -0.004 0.000 0.194 590 E C 1.906 178.399 176.600 -0.178 0.000 0.994 590 E CA 1.139 57.459 56.400 -0.132 0.000 0.801 590 E CB -0.108 29.520 29.700 -0.120 0.000 0.743 590 E HN 0.321 nan 8.360 nan 0.000 0.453 591 L N 0.883 121.900 121.223 -0.345 0.000 2.478 591 L HA -0.025 4.313 4.340 -0.004 0.000 0.223 591 L C 1.655 178.381 176.870 -0.239 0.000 1.140 591 L CA 0.441 55.017 54.840 -0.439 0.000 0.842 591 L CB -0.119 41.321 42.059 -1.031 0.000 0.953 591 L HN 0.066 nan 8.230 nan 0.000 0.452 592 E N -0.329 119.788 120.200 -0.139 0.000 2.435 592 E HA -0.001 4.347 4.350 -0.004 0.000 0.195 592 E C 0.373 176.976 176.600 0.004 0.000 1.029 592 E CA 0.256 56.666 56.400 0.016 0.000 0.865 592 E CB 0.151 29.873 29.700 0.036 0.000 0.833 592 E HN 0.417 nan 8.360 nan 0.000 0.510 593 Q N 1.077 120.862 119.800 -0.025 0.000 2.304 593 Q HA 0.117 4.454 4.340 -0.004 0.000 0.260 593 Q C 0.037 176.037 176.000 -0.000 0.000 0.965 593 Q CA 0.037 55.833 55.803 -0.012 0.000 0.898 593 Q CB 0.834 29.561 28.738 -0.019 0.000 1.196 593 Q HN 0.170 nan 8.270 nan 0.000 0.402 594 E N 2.837 123.041 120.200 0.006 0.000 2.417 594 E HA 0.061 4.409 4.350 -0.004 0.000 0.261 594 E C -0.577 176.028 176.600 0.010 0.000 1.000 594 E CA -0.129 56.277 56.400 0.009 0.000 0.919 594 E CB 0.440 30.144 29.700 0.008 0.000 0.955 594 E HN 0.452 nan 8.360 nan 0.000 0.455 595 I N 6.104 126.682 120.570 0.013 0.000 2.395 595 I HA 0.142 4.310 4.170 -0.004 0.000 0.289 595 I C 0.082 176.209 176.117 0.017 0.000 1.023 595 I CA -0.391 60.922 61.300 0.021 0.000 1.350 595 I CB 0.557 38.572 38.000 0.026 0.000 1.409 595 I HN 0.405 nan 8.210 nan 0.000 0.507 596 L N 7.079 128.319 121.223 0.029 0.000 2.358 596 L HA 0.531 4.869 4.340 -0.004 0.000 0.268 596 L C -2.253 174.645 176.870 0.047 0.000 1.032 596 L CA -2.106 52.748 54.840 0.023 0.000 0.805 596 L CB 0.616 42.686 42.059 0.018 0.000 1.253 596 L HN 0.294 nan 8.230 nan 0.000 0.452 597 P HA -0.068 nan 4.420 nan 0.000 0.264 597 P C 0.089 177.546 177.300 0.262 0.000 1.183 597 P CA 0.259 63.416 63.100 0.095 0.000 0.763 597 P CB 0.342 32.083 31.700 0.068 0.000 0.807 598 F N 3.375 123.546 119.950 0.367 0.000 2.206 598 F HA -0.083 4.442 4.527 -0.003 0.000 0.298 598 F C 1.030 176.862 175.800 0.053 0.000 1.090 598 F CA 1.074 59.148 58.000 0.124 0.000 1.323 598 F CB 0.293 39.285 39.000 -0.013 0.000 1.028 598 F HN 0.400 nan 8.300 nan 0.000 0.492 599 N N -1.160 117.638 118.700 0.163 0.000 3.039 599 N HA 0.137 4.875 4.740 -0.004 0.000 0.257 599 N C -1.516 174.082 175.510 0.147 0.000 1.497 599 N CA -0.104 52.966 53.050 0.034 0.000 0.861 599 N CB 1.132 39.615 38.487 -0.006 0.000 1.479 599 N HN -0.021 nan 8.380 nan 0.000 0.547 600 D N -0.849 119.609 120.400 0.098 0.000 2.538 600 D HA 0.078 4.716 4.640 -0.004 0.000 0.231 600 D C 0.546 176.893 176.300 0.078 0.000 1.229 600 D CA -0.575 53.486 54.000 0.101 0.000 0.828 600 D CB -0.494 40.331 40.800 0.041 0.000 1.035 600 D HN 0.468 nan 8.370 nan 0.000 0.495 601 F N 0.598 120.502 119.950 -0.077 0.000 2.154 601 F HA -0.160 4.365 4.527 -0.003 0.000 0.301 601 F C 0.604 176.208 175.800 -0.327 0.000 1.087 601 F CA 1.358 59.210 58.000 -0.248 0.000 1.274 601 F CB 0.180 38.970 39.000 -0.350 0.000 1.009 601 F HN -0.044 nan 8.300 nan 0.000 0.485 602 Y N -0.464 120.001 120.300 0.275 0.000 2.706 602 Y HA 0.220 4.768 4.550 -0.003 0.000 0.255 602 Y C 1.598 177.572 175.900 0.123 0.000 1.163 602 Y CA -0.739 57.478 58.100 0.194 0.000 1.174 602 Y CB -0.554 38.044 38.460 0.228 0.000 1.200 602 Y HN -0.058 nan 8.280 nan 0.000 0.544 603 K N 0.533 121.057 120.400 0.206 0.000 2.057 603 K HA -0.184 4.134 4.320 -0.004 0.000 0.207 603 K C 0.444 177.107 176.600 0.105 0.000 1.049 603 K CA 2.322 58.693 56.287 0.141 0.000 0.931 603 K CB 0.077 32.630 32.500 0.088 0.000 0.714 603 K HN 0.212 nan 8.250 nan 0.000 0.440 604 D N -0.108 120.341 120.400 0.083 0.000 2.349 604 D HA -0.041 4.597 4.640 -0.004 0.000 0.224 604 D C 1.088 177.434 176.300 0.076 0.000 1.029 604 D CA 0.498 54.532 54.000 0.056 0.000 0.879 604 D CB 0.373 41.184 40.800 0.018 0.000 0.906 604 D HN 0.232 nan 8.370 nan 0.000 0.528 605 Q N -0.722 119.154 119.800 0.128 0.000 2.392 605 Q HA 0.277 4.615 4.340 -0.004 0.000 0.203 605 Q C 1.500 177.553 176.000 0.088 0.000 0.917 605 Q CA 0.490 56.364 55.803 0.119 0.000 0.939 605 Q CB 0.599 29.445 28.738 0.179 0.000 1.063 605 Q HN 0.191 nan 8.270 nan 0.000 0.516 606 G N 0.717 109.574 108.800 0.096 0.000 2.166 606 G HA2 -0.299 3.659 3.960 -0.004 0.000 0.260 606 G HA3 -0.299 3.659 3.960 -0.004 0.000 0.260 606 G C 0.114 175.052 174.900 0.063 0.000 0.986 606 G CA 0.716 45.858 45.100 0.070 0.000 0.683 606 G HN 0.384 nan 8.290 nan 0.000 0.527 607 L N -3.341 117.928 121.223 0.076 0.000 2.469 607 L HA 0.885 5.223 4.340 -0.004 0.000 0.253 607 L C 1.461 178.388 176.870 0.095 0.000 1.143 607 L CA -0.235 54.636 54.840 0.053 0.000 0.804 607 L CB 0.284 42.347 42.059 0.006 0.000 1.214 607 L HN -0.078 nan 8.230 nan 0.000 0.476 608 T N -0.658 113.947 114.554 0.086 0.000 2.983 608 T HA 0.248 4.596 4.350 -0.004 0.000 0.250 608 T C 0.993 175.837 174.700 0.241 0.000 1.037 608 T CA 0.542 62.713 62.100 0.118 0.000 1.142 608 T CB 0.008 68.917 68.868 0.068 0.000 0.876 608 T HN 0.749 nan 8.240 nan 0.000 0.455 609 A N 0.945 123.884 122.820 0.198 0.000 2.346 609 A HA 0.574 4.892 4.320 -0.004 0.000 0.255 609 A C 0.576 178.305 177.584 0.242 0.000 1.113 609 A CA 0.060 52.253 52.037 0.260 0.000 0.798 609 A CB 0.175 19.284 19.000 0.183 0.000 1.073 609 A HN 0.286 nan 8.150 nan 0.000 0.502 610 T N -1.990 112.670 114.554 0.177 0.000 2.645 610 T HA 0.552 4.899 4.350 -0.004 0.000 0.300 610 T C -0.654 174.154 174.700 0.179 0.000 1.210 610 T CA 0.317 62.505 62.100 0.146 0.000 1.034 610 T CB 1.445 70.198 68.868 -0.192 0.000 1.537 610 T HN 1.018 nan 8.240 nan 0.000 0.492 611 T N 0.813 115.434 114.554 0.112 0.000 2.797 611 T HA 0.747 5.095 4.350 -0.004 0.000 0.279 611 T C -1.203 173.472 174.700 -0.041 0.000 0.991 611 T CA -0.177 61.957 62.100 0.056 0.000 0.979 611 T CB 0.462 69.284 68.868 -0.077 0.000 0.943 611 T HN 0.912 nan 8.240 nan 0.000 0.444 612 A N 4.561 127.411 122.820 0.050 0.000 2.547 612 A HA 0.509 4.827 4.320 -0.004 0.000 0.279 612 A C -0.038 177.625 177.584 0.131 0.000 1.088 612 A CA -0.692 51.357 52.037 0.019 0.000 0.796 612 A CB 0.585 19.384 19.000 -0.334 0.000 1.308 612 A HN 0.887 nan 8.150 nan 0.000 0.415 613 N N 1.595 120.370 118.700 0.125 0.000 2.377 613 N HA 0.123 4.861 4.740 -0.004 0.000 0.259 613 N C -0.874 174.721 175.510 0.141 0.000 1.332 613 N CA 0.133 53.280 53.050 0.162 0.000 0.877 613 N CB 0.459 39.054 38.487 0.181 0.000 1.299 613 N HN 0.769 nan 8.380 nan 0.000 0.501 614 Q N 0.312 120.169 119.800 0.095 0.000 2.363 614 Q HA 0.108 4.445 4.340 -0.004 0.000 0.265 614 Q C -0.116 175.890 176.000 0.009 0.000 1.032 614 Q CA -0.762 55.072 55.803 0.051 0.000 0.746 614 Q CB 1.383 30.074 28.738 -0.079 0.000 1.237 614 Q HN 0.357 nan 8.270 nan 0.000 0.475 615 W N 4.853 126.131 121.300 -0.037 0.000 2.304 615 W HA -0.294 4.364 4.660 -0.003 0.000 0.315 615 W C 1.905 178.359 176.519 -0.108 0.000 1.233 615 W CA 2.557 59.819 57.345 -0.138 0.000 1.261 615 W CB -0.028 29.252 29.460 -0.300 0.000 1.150 615 W HN 0.861 nan 8.180 nan 0.000 0.494 616 H N -0.725 118.079 119.070 -0.444 0.000 2.521 616 H HA -0.084 4.470 4.556 -0.004 0.000 0.286 616 H C 1.799 176.880 175.328 -0.412 0.000 1.034 616 H CA 1.720 57.311 56.048 -0.761 0.000 1.278 616 H CB -0.825 28.794 29.762 -0.240 0.000 1.386 616 H HN 0.361 nan 8.280 nan 0.000 0.567 617 L N 0.017 120.849 121.223 -0.652 0.000 2.408 617 L HA 0.107 4.445 4.340 -0.004 0.000 0.215 617 L C 2.518 179.365 176.870 -0.039 0.000 1.081 617 L CA 0.134 54.804 54.840 -0.283 0.000 0.840 617 L CB 0.032 41.953 42.059 -0.229 0.000 1.002 617 L HN 0.108 nan 8.230 nan 0.000 0.468 618 I N 0.405 120.866 120.570 -0.182 0.000 2.286 618 I HA -0.197 3.971 4.170 -0.004 0.000 0.245 618 I C 2.629 178.641 176.117 -0.175 0.000 1.104 618 I CA 1.254 62.434 61.300 -0.201 0.000 1.397 618 I CB -0.248 37.694 38.000 -0.096 0.000 1.072 618 I HN 0.165 nan 8.210 nan 0.000 0.417 619 A N -1.167 121.450 122.820 -0.338 0.000 2.072 619 A HA 0.056 4.374 4.320 -0.004 0.000 0.216 619 A C 1.137 178.617 177.584 -0.174 0.000 1.156 619 A CA 1.126 52.995 52.037 -0.280 0.000 0.701 619 A CB -0.009 18.634 19.000 -0.596 0.000 0.816 619 A HN 0.384 nan 8.150 nan 0.000 0.458 620 T N -3.411 111.039 114.554 -0.174 0.000 2.957 620 T HA 0.477 4.824 4.350 -0.004 0.000 0.336 620 T C 0.062 174.732 174.700 -0.049 0.000 1.462 620 T CA 0.183 62.230 62.100 -0.089 0.000 1.073 620 T CB 1.295 70.104 68.868 -0.098 0.000 1.319 620 T HN 0.511 nan 8.240 nan 0.000 0.485 621 A N 2.345 125.155 122.820 -0.017 0.000 2.238 621 A HA 0.490 4.808 4.320 -0.004 0.000 0.210 621 A C 1.182 178.751 177.584 -0.024 0.000 1.179 621 A CA 0.223 52.254 52.037 -0.011 0.000 0.827 621 A CB -0.176 18.824 19.000 -0.001 0.000 0.856 621 A HN 0.696 nan 8.150 nan 0.000 0.488 622 S N 0.331 116.014 115.700 -0.028 0.000 2.634 622 S HA 0.382 4.850 4.470 -0.004 0.000 0.261 622 S C 0.752 175.330 174.600 -0.037 0.000 1.271 622 S CA 0.114 58.295 58.200 -0.031 0.000 0.985 622 S CB 0.646 63.830 63.200 -0.026 0.000 0.968 622 S HN 0.647 nan 8.310 nan 0.000 0.568 623 T N -1.244 113.280 114.554 -0.050 0.000 2.899 623 T HA 0.533 4.881 4.350 -0.004 0.000 0.295 623 T C 0.516 175.185 174.700 -0.052 0.000 1.033 623 T CA -0.433 61.620 62.100 -0.078 0.000 1.084 623 T CB 0.462 69.262 68.868 -0.114 0.000 0.979 623 T HN 0.619 nan 8.240 nan 0.000 0.532 624 I N 0.736 121.277 120.570 -0.048 0.000 5.139 624 I HA 0.200 4.367 4.170 -0.004 0.000 0.334 624 I C 0.944 177.093 176.117 0.053 0.000 1.217 624 I CA -0.518 60.792 61.300 0.017 0.000 1.448 624 I CB 0.482 38.507 38.000 0.041 0.000 1.538 624 I HN 0.828 nan 8.210 nan 0.000 0.527 625 Y N 0.867 121.132 120.300 -0.058 0.000 2.444 625 Y HA 0.439 4.987 4.550 -0.004 0.000 0.252 625 Y C 0.914 176.769 175.900 -0.074 0.000 1.091 625 Y CA 0.196 58.243 58.100 -0.088 0.000 1.276 625 Y CB -0.703 37.653 38.460 -0.174 0.000 1.170 625 Y HN 0.026 nan 8.280 nan 0.000 0.517 626 T N -0.479 113.671 114.554 -0.672 0.000 2.899 626 T HA 0.461 4.809 4.350 -0.004 0.000 0.284 626 T C 0.337 174.901 174.700 -0.227 0.000 1.004 626 T CA -0.354 61.450 62.100 -0.493 0.000 1.043 626 T CB 1.793 70.325 68.868 -0.560 0.000 1.013 626 T HN 0.181 nan 8.240 nan 0.000 0.518 627 T N 0.000 114.459 114.554 -0.159 0.000 3.816 627 T HA 0.000 4.348 4.350 -0.004 0.000 0.228 627 T CA 0.000 62.040 62.100 -0.100 0.000 1.349 627 T CB 0.000 68.824 68.868 -0.074 0.000 0.612 627 T HN 0.000 nan 8.240 nan 0.000 0.658