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 1uwi_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYSFPNSFRF GWSQAGFQSE MGTPGSEDLN TDWYKWVHDP ENMAAGLVSG DATA SEQUENCE DLPENGPGYW GNYKTFHNNA QKMGLKIARL NSEWSRQFPN PLPRPQNFDE DATA SEQUENCE SKQDVTEVEI NENELKRLDE YANKDALNHY REIFKDLKSR GLYFIQNMYH DATA SEQUENCE WPLPLWLHDP IRVRRGDFTG PSGWLSTRTV YEFARFSAYT AWKFDDLVDE DATA SEQUENCE YSTMNEPNVV GGLGYVGVKS GFPPGYLSFE LSRRAMYNII QAHARAYDGI DATA SEQUENCE KSVSKKPVGI IYANSSFQPL TDKDMEAVEM AENDNRWWFF DAIIRGEITR DATA SEQUENCE GNEKIVRDDL KGRLDWIGVN YYTRTVVKRT GKGYVSLGGY GHGCERNSVS DATA SEQUENCE LAGLPTSDFG WEFFPEGLYD VLTKYWNRYH LYMYVTENGI ADDADYQRPY DATA SEQUENCE YLVSHVYQVH RAINSGADVR GYLHWSLADN YEWASGFSMR FGLLKVDYNT DATA SEQUENCE KRLYWRPSSL VYREIATNGA ITDEIEHLNS VPPVKPLRH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.884 176.300 -0.694 0.000 1.140 1 M CA 0.000 54.995 55.300 -0.508 0.000 0.988 1 M CB 0.000 32.473 32.600 -0.212 0.000 1.302 2 Y N 1.076 121.254 120.300 -0.204 0.000 2.854 2 Y HA 0.524 5.074 4.550 0.001 0.000 0.330 2 Y C -0.263 175.404 175.900 -0.388 0.000 1.037 2 Y CA -0.553 57.187 58.100 -0.600 0.000 1.263 2 Y CB 1.183 39.232 38.460 -0.685 0.000 1.120 2 Y HN 0.409 nan 8.280 nan 0.000 0.532 3 S N 2.628 118.280 115.700 -0.081 0.000 2.578 3 S HA 0.617 5.087 4.470 0.001 0.000 0.283 3 S C -0.581 174.044 174.600 0.042 0.000 1.195 3 S CA -0.629 57.627 58.200 0.093 0.000 1.050 3 S CB 0.876 64.127 63.200 0.085 0.000 1.012 3 S HN 0.351 nan 8.310 nan 0.000 0.511 4 F N 1.471 121.475 119.950 0.089 0.000 2.450 4 F HA 0.461 4.989 4.527 0.001 0.000 0.328 4 F C -1.910 173.889 175.800 -0.002 0.000 1.068 4 F CA -2.218 55.746 58.000 -0.061 0.000 1.007 4 F CB 0.253 39.031 39.000 -0.370 0.000 1.251 4 F HN 0.313 nan 8.300 nan 0.000 0.492 5 P HA 0.013 nan 4.420 nan 0.000 0.266 5 P C 0.187 177.595 177.300 0.181 0.000 1.193 5 P CA 0.112 63.287 63.100 0.125 0.000 0.770 5 P CB 0.532 32.298 31.700 0.109 0.000 0.836 6 N N 0.597 119.365 118.700 0.114 0.000 2.149 6 N HA -0.138 4.602 4.740 0.001 0.000 0.188 6 N C 1.387 176.955 175.510 0.097 0.000 1.019 6 N CA 1.856 54.969 53.050 0.105 0.000 0.857 6 N CB -0.582 37.943 38.487 0.062 0.000 0.997 6 N HN 0.486 nan 8.380 nan 0.000 0.426 7 S N -0.383 115.355 115.700 0.064 0.000 2.562 7 S HA 0.031 4.502 4.470 0.001 0.000 0.221 7 S C 0.548 175.142 174.600 -0.010 0.000 0.975 7 S CA -0.441 57.758 58.200 -0.002 0.000 0.918 7 S CB -0.560 62.606 63.200 -0.057 0.000 0.772 7 S HN 0.213 nan 8.310 nan 0.000 0.531 8 F N 3.450 123.364 119.950 -0.060 0.000 2.538 8 F HA 0.405 4.932 4.527 0.001 0.000 0.371 8 F C 0.648 176.355 175.800 -0.155 0.000 1.087 8 F CA -0.519 57.419 58.000 -0.103 0.000 1.250 8 F CB 0.474 39.462 39.000 -0.021 0.000 1.110 8 F HN -0.028 nan 8.300 nan 0.000 0.570 9 R N 5.387 125.503 120.500 -0.641 0.000 2.637 9 R HA 0.440 4.780 4.340 0.001 0.000 0.291 9 R C -1.650 174.368 176.300 -0.470 0.000 0.963 9 R CA -0.871 55.009 56.100 -0.366 0.000 0.901 9 R CB 1.578 31.716 30.300 -0.269 0.000 1.160 9 R HN 0.495 nan 8.270 nan 0.000 0.457 10 F N 0.599 120.572 119.950 0.040 0.000 2.436 10 F HA 0.632 5.159 4.527 0.000 0.000 0.340 10 F C 0.954 176.861 175.800 0.178 0.000 1.113 10 F CA 0.044 58.152 58.000 0.179 0.000 1.022 10 F CB 2.120 41.187 39.000 0.111 0.000 1.128 10 F HN 0.670 nan 8.300 nan 0.000 0.466 11 G N 1.921 111.027 108.800 0.509 0.000 2.827 11 G HA2 0.494 4.455 3.960 0.001 0.000 0.202 11 G HA3 0.494 4.455 3.960 0.001 0.000 0.202 11 G C -2.219 173.075 174.900 0.656 0.000 1.185 11 G CA -0.553 44.844 45.100 0.496 0.000 0.920 11 G HN 0.723 nan 8.290 nan 0.000 0.550 12 W N -0.415 121.002 121.300 0.195 0.000 3.074 12 W HA 0.830 5.490 4.660 0.000 0.000 0.332 12 W C -1.008 175.565 176.519 0.090 0.000 1.253 12 W CA -0.893 56.543 57.345 0.152 0.000 1.180 12 W CB 1.274 30.810 29.460 0.126 0.000 1.445 12 W HN 0.579 nan 8.180 nan 0.000 0.573 13 S N 1.439 117.170 115.700 0.053 0.000 2.607 13 S HA 0.664 5.134 4.470 0.001 0.000 0.303 13 S C -1.350 173.222 174.600 -0.047 0.000 1.086 13 S CA -0.731 57.463 58.200 -0.009 0.000 0.995 13 S CB 1.829 65.220 63.200 0.319 0.000 1.084 13 S HN 0.557 nan 8.310 nan 0.000 0.507 14 Q N 0.198 120.019 119.800 0.034 0.000 2.472 14 Q HA 0.663 5.003 4.340 0.001 0.000 0.281 14 Q C -2.139 173.947 176.000 0.144 0.000 0.997 14 Q CA -0.731 55.051 55.803 -0.036 0.000 0.828 14 Q CB 1.730 30.481 28.738 0.021 0.000 1.443 14 Q HN 0.789 nan 8.270 nan 0.000 0.390 15 A N 0.842 123.722 122.820 0.101 0.000 2.355 15 A HA 0.722 5.042 4.320 0.001 0.000 0.324 15 A C 0.639 178.243 177.584 0.033 0.000 1.117 15 A CA 0.118 52.086 52.037 -0.114 0.000 0.785 15 A CB 1.248 19.860 19.000 -0.646 0.000 1.254 15 A HN 0.919 nan 8.150 nan 0.000 0.453 16 G N 0.362 109.257 108.800 0.159 0.000 2.453 16 G HA2 -0.182 3.778 3.960 0.001 0.000 0.215 16 G HA3 -0.182 3.778 3.960 0.001 0.000 0.215 16 G C 1.266 176.307 174.900 0.235 0.000 1.201 16 G CA 1.470 46.751 45.100 0.300 0.000 0.784 16 G HN 0.771 nan 8.290 nan 0.000 0.545 17 F N 1.615 121.594 119.950 0.048 0.000 2.161 17 F HA -0.083 4.444 4.527 0.000 0.000 0.300 17 F C 2.938 178.631 175.800 -0.178 0.000 1.089 17 F CA 1.960 59.939 58.000 -0.036 0.000 1.282 17 F CB -0.069 38.913 39.000 -0.030 0.000 1.010 17 F HN 0.229 nan 8.300 nan 0.000 0.485 18 Q N -1.339 118.331 119.800 -0.217 0.000 2.245 18 Q HA -0.046 4.294 4.340 0.001 0.000 0.201 18 Q C 1.873 177.846 176.000 -0.044 0.000 0.955 18 Q CA 1.440 57.079 55.803 -0.274 0.000 0.870 18 Q CB 0.038 28.623 28.738 -0.256 0.000 0.945 18 Q HN 0.304 nan 8.270 nan 0.000 0.461 19 S N -0.282 115.434 115.700 0.026 0.000 2.593 19 S HA 0.052 4.523 4.470 0.001 0.000 0.235 19 S C 1.288 175.999 174.600 0.186 0.000 1.059 19 S CA -0.260 58.017 58.200 0.128 0.000 0.953 19 S CB 0.464 63.712 63.200 0.079 0.000 0.897 19 S HN 0.260 nan 8.310 nan 0.000 0.507 20 E N 1.638 121.961 120.200 0.204 0.000 2.023 20 E HA -0.053 4.298 4.350 0.001 0.000 0.196 20 E C 0.366 177.078 176.600 0.186 0.000 1.003 20 E CA 0.835 57.414 56.400 0.298 0.000 0.809 20 E CB -0.174 29.712 29.700 0.310 0.000 0.755 20 E HN 0.432 nan 8.360 nan 0.000 0.449 21 M N -0.651 118.972 119.600 0.039 0.000 2.240 21 M HA 0.092 4.572 4.480 0.001 0.000 0.317 21 M C 1.022 177.365 176.300 0.072 0.000 1.087 21 M CA 1.209 56.511 55.300 0.002 0.000 1.176 21 M CB 0.839 33.395 32.600 -0.073 0.000 1.439 21 M HN 0.429 nan 8.290 nan 0.000 0.452 22 G N 0.074 108.915 108.800 0.068 0.000 3.110 22 G HA2 -0.126 3.834 3.960 0.001 0.000 0.205 22 G HA3 -0.126 3.834 3.960 0.001 0.000 0.205 22 G C 0.008 174.956 174.900 0.080 0.000 1.019 22 G CA -0.039 45.115 45.100 0.089 0.000 0.826 22 G HN 0.777 nan 8.290 nan 0.000 0.481 23 T N 1.190 115.799 114.554 0.092 0.000 2.929 23 T HA 0.702 5.052 4.350 0.001 0.000 0.284 23 T C -2.746 171.994 174.700 0.067 0.000 1.014 23 T CA -1.802 60.348 62.100 0.083 0.000 1.051 23 T CB 2.522 71.453 68.868 0.106 0.000 1.028 23 T HN 0.172 nan 8.240 nan 0.000 0.485 24 P HA 0.228 nan 4.420 nan 0.000 0.264 24 P C 1.018 178.342 177.300 0.039 0.000 1.193 24 P CA 0.748 63.869 63.100 0.034 0.000 0.763 24 P CB 0.380 32.096 31.700 0.026 0.000 0.810 25 G N 2.774 111.581 108.800 0.013 0.000 2.175 25 G HA2 -0.296 3.664 3.960 0.001 0.000 0.244 25 G HA3 -0.296 3.664 3.960 0.001 0.000 0.244 25 G C 0.854 175.724 174.900 -0.050 0.000 0.982 25 G CA 0.416 45.517 45.100 0.002 0.000 0.641 25 G HN 0.680 nan 8.290 nan 0.000 0.527 26 S N -0.312 115.334 115.700 -0.089 0.000 2.575 26 S HA 0.374 4.844 4.470 0.001 0.000 0.215 26 S C 0.556 174.927 174.600 -0.382 0.000 0.966 26 S CA 0.665 58.644 58.200 -0.369 0.000 0.911 26 S CB 0.422 63.521 63.200 -0.169 0.000 0.780 26 S HN 0.437 nan 8.310 nan 0.000 0.514 27 E N 2.680 122.759 120.200 -0.202 0.000 2.529 27 E HA 0.301 4.651 4.350 0.001 0.000 0.259 27 E C -0.578 175.880 176.600 -0.238 0.000 0.966 27 E CA 0.460 56.763 56.400 -0.163 0.000 0.937 27 E CB 0.216 29.854 29.700 -0.103 0.000 0.923 27 E HN 0.291 nan 8.360 nan 0.000 0.468 28 D N 3.139 123.405 120.400 -0.224 0.000 2.421 28 D HA 0.162 4.802 4.640 0.001 0.000 0.254 28 D C -0.254 175.812 176.300 -0.390 0.000 1.238 28 D CA -0.398 53.472 54.000 -0.217 0.000 0.919 28 D CB 0.427 41.166 40.800 -0.102 0.000 1.152 28 D HN 0.356 nan 8.370 nan 0.000 0.552 29 L N 2.290 123.183 121.223 -0.550 0.000 2.592 29 L HA 0.297 4.637 4.340 0.001 0.000 0.227 29 L C 0.663 177.303 176.870 -0.383 0.000 1.127 29 L CA 0.042 54.308 54.840 -0.957 0.000 0.884 29 L CB -0.267 41.360 42.059 -0.720 0.000 1.065 29 L HN 0.181 nan 8.230 nan 0.000 0.457 30 N N 0.579 119.188 118.700 -0.152 0.000 2.466 30 N HA 0.046 4.786 4.740 0.001 0.000 0.251 30 N C 0.078 175.609 175.510 0.036 0.000 1.164 30 N CA -0.086 52.954 53.050 -0.016 0.000 0.888 30 N CB 0.318 38.827 38.487 0.037 0.000 1.177 30 N HN 0.264 nan 8.380 nan 0.000 0.498 31 T N -3.371 111.243 114.554 0.100 0.000 2.924 31 T HA 0.191 4.541 4.350 0.001 0.000 0.291 31 T C 0.788 175.573 174.700 0.143 0.000 1.045 31 T CA -0.955 61.219 62.100 0.125 0.000 1.015 31 T CB 1.719 70.714 68.868 0.211 0.000 1.103 31 T HN 0.001 nan 8.240 nan 0.000 0.496 32 D N 0.320 120.756 120.400 0.060 0.000 2.144 32 D HA -0.133 4.507 4.640 0.001 0.000 0.199 32 D C 1.419 177.757 176.300 0.063 0.000 0.984 32 D CA 1.047 55.026 54.000 -0.035 0.000 0.834 32 D CB -0.568 40.103 40.800 -0.214 0.000 0.955 32 D HN 0.722 nan 8.370 nan 0.000 0.465 33 W N 0.025 121.328 121.300 0.005 0.000 2.358 33 W HA -0.116 4.545 4.660 0.001 0.000 0.303 33 W C 2.369 179.056 176.519 0.279 0.000 1.208 33 W CA 0.910 58.261 57.345 0.010 0.000 1.274 33 W CB -0.606 28.587 29.460 -0.446 0.000 1.138 33 W HN -0.009 nan 8.180 nan 0.000 0.515 34 Y N 1.332 121.904 120.300 0.453 0.000 2.145 34 Y HA -0.276 4.274 4.550 0.001 0.000 0.286 34 Y C 2.536 178.704 175.900 0.447 0.000 1.145 34 Y CA 2.442 60.876 58.100 0.556 0.000 1.148 34 Y CB -0.644 38.046 38.460 0.384 0.000 0.981 34 Y HN -0.153 nan 8.280 nan 0.000 0.507 35 K N -0.280 120.416 120.400 0.493 0.000 2.097 35 K HA -0.243 4.077 4.320 0.001 0.000 0.206 35 K C 2.281 179.029 176.600 0.246 0.000 1.049 35 K CA 1.538 58.015 56.287 0.316 0.000 0.933 35 K CB -0.761 31.858 32.500 0.198 0.000 0.717 35 K HN 0.622 nan 8.250 nan 0.000 0.442 36 W N 1.739 123.065 121.300 0.042 0.000 2.355 36 W HA -0.200 4.461 4.660 0.001 0.000 0.309 36 W C 1.555 178.084 176.519 0.016 0.000 1.206 36 W CA 2.099 59.406 57.345 -0.064 0.000 1.284 36 W CB -0.101 29.184 29.460 -0.293 0.000 1.145 36 W HN 0.046 nan 8.180 nan 0.000 0.502 37 V N -1.849 118.232 119.914 0.277 0.000 3.380 37 V HA -0.088 4.032 4.120 0.001 0.000 0.268 37 V C 1.243 177.265 176.094 -0.120 0.000 1.168 37 V CA 1.737 64.116 62.300 0.132 0.000 1.156 37 V CB -1.079 30.971 31.823 0.377 0.000 0.785 37 V HN 0.098 nan 8.190 nan 0.000 0.487 38 H N -0.166 118.850 119.070 -0.090 0.000 2.622 38 H HA 0.317 4.873 4.556 0.001 0.000 0.269 38 H C 0.553 175.821 175.328 -0.101 0.000 0.977 38 H CA 0.073 56.052 56.048 -0.116 0.000 1.179 38 H CB 0.153 29.831 29.762 -0.141 0.000 1.458 38 H HN 0.530 nan 8.280 nan 0.000 0.531 39 D N 0.949 121.313 120.400 -0.060 0.000 2.450 39 D HA -0.028 4.613 4.640 0.001 0.000 0.247 39 D C -1.522 174.692 176.300 -0.142 0.000 1.162 39 D CA -1.379 52.544 54.000 -0.128 0.000 0.879 39 D CB 1.274 41.909 40.800 -0.276 0.000 1.163 39 D HN 0.045 nan 8.370 nan 0.000 0.472 40 P HA -0.146 nan 4.420 nan 0.000 0.215 40 P C 0.651 177.889 177.300 -0.102 0.000 1.153 40 P CA 1.228 64.281 63.100 -0.078 0.000 0.853 40 P CB 0.185 31.856 31.700 -0.048 0.000 0.788 41 E N -1.064 119.061 120.200 -0.125 0.000 2.107 41 E HA -0.136 4.214 4.350 0.001 0.000 0.191 41 E C 1.820 178.314 176.600 -0.176 0.000 0.982 41 E CA 0.747 57.069 56.400 -0.130 0.000 0.809 41 E CB -0.460 29.166 29.700 -0.123 0.000 0.756 41 E HN 0.216 nan 8.360 nan 0.000 0.459 42 N N 0.629 119.160 118.700 -0.281 0.000 2.166 42 N HA -0.126 4.614 4.740 0.001 0.000 0.186 42 N C 1.766 177.149 175.510 -0.212 0.000 1.019 42 N CA 1.176 54.012 53.050 -0.357 0.000 0.856 42 N CB -0.110 37.967 38.487 -0.684 0.000 0.993 42 N HN 0.194 nan 8.380 nan 0.000 0.426 43 M N 0.311 119.807 119.600 -0.173 0.000 2.099 43 M HA -0.054 4.426 4.480 0.001 0.000 0.262 43 M C 2.252 178.507 176.300 -0.074 0.000 1.067 43 M CA 1.467 56.703 55.300 -0.107 0.000 1.124 43 M CB -0.296 32.248 32.600 -0.092 0.000 1.353 43 M HN 0.122 nan 8.290 nan 0.000 0.410 44 A N 0.443 123.218 122.820 -0.075 0.000 1.908 44 A HA -0.078 4.243 4.320 0.001 0.000 0.218 44 A C 2.286 179.842 177.584 -0.046 0.000 1.181 44 A CA 1.981 53.986 52.037 -0.053 0.000 0.627 44 A CB -0.918 18.051 19.000 -0.051 0.000 0.818 44 A HN 0.525 nan 8.150 nan 0.000 0.445 45 A N -1.943 120.841 122.820 -0.060 0.000 2.167 45 A HA 0.375 4.695 4.320 0.001 0.000 0.214 45 A C 1.919 179.489 177.584 -0.023 0.000 1.151 45 A CA 1.327 53.339 52.037 -0.043 0.000 0.735 45 A CB -0.982 17.985 19.000 -0.056 0.000 0.802 45 A HN 1.964 nan 8.150 nan 0.000 0.467 46 G N -1.208 107.576 108.800 -0.027 0.000 2.143 46 G HA2 -0.273 3.687 3.960 0.001 0.000 0.248 46 G HA3 -0.273 3.687 3.960 0.001 0.000 0.248 46 G C 0.743 175.658 174.900 0.025 0.000 0.991 46 G CA 0.520 45.620 45.100 -0.001 0.000 0.689 46 G HN 0.430 nan 8.290 nan 0.000 0.522 47 L N -0.541 120.686 121.223 0.006 0.000 2.156 47 L HA 0.166 4.506 4.340 0.001 0.000 0.208 47 L C 1.651 178.595 176.870 0.122 0.000 1.095 47 L CA 1.560 56.440 54.840 0.067 0.000 0.770 47 L CB -0.188 41.884 42.059 0.020 0.000 0.914 47 L HN 0.490 nan 8.230 nan 0.000 0.439 48 V N -5.000 114.940 119.914 0.044 0.000 2.769 48 V HA 0.353 4.474 4.120 0.001 0.000 0.312 48 V C 1.085 177.202 176.094 0.039 0.000 1.061 48 V CA -0.274 62.078 62.300 0.087 0.000 0.931 48 V CB 1.583 33.432 31.823 0.044 0.000 1.010 48 V HN 0.148 nan 8.190 nan 0.000 0.433 49 S N 1.613 117.336 115.700 0.039 0.000 2.399 49 S HA 0.137 4.607 4.470 0.001 0.000 0.231 49 S C 1.686 176.280 174.600 -0.011 0.000 1.022 49 S CA 1.888 60.088 58.200 0.000 0.000 0.983 49 S CB -0.417 62.756 63.200 -0.045 0.000 0.803 49 S HN 2.767 nan 8.310 nan 0.000 0.480 50 G N 0.535 109.325 108.800 -0.016 0.000 2.238 50 G HA2 -0.153 3.807 3.960 0.001 0.000 0.217 50 G HA3 -0.153 3.807 3.960 0.001 0.000 0.217 50 G C -0.415 174.469 174.900 -0.027 0.000 0.996 50 G CA 0.018 45.097 45.100 -0.035 0.000 0.632 50 G HN 0.555 nan 8.290 nan 0.000 0.503 51 D N 0.775 121.182 120.400 0.012 0.000 2.362 51 D HA 0.569 5.209 4.640 0.001 0.000 0.242 51 D C 0.763 177.085 176.300 0.037 0.000 1.132 51 D CA 0.329 54.374 54.000 0.075 0.000 0.907 51 D CB 1.077 41.916 40.800 0.064 0.000 1.195 51 D HN 0.368 nan 8.370 nan 0.000 0.429 52 L N 2.144 123.351 121.223 -0.027 0.000 2.346 52 L HA 0.279 4.619 4.340 0.001 0.000 0.274 52 L C -1.655 174.955 176.870 -0.433 0.000 1.007 52 L CA -1.952 52.714 54.840 -0.290 0.000 0.818 52 L CB 2.204 44.119 42.059 -0.239 0.000 1.284 52 L HN 0.090 nan 8.230 nan 0.000 0.424 53 P HA -0.172 nan 4.420 nan 0.000 0.217 53 P C 0.767 177.910 177.300 -0.262 0.000 1.148 53 P CA 1.109 63.652 63.100 -0.928 0.000 0.828 53 P CB 0.277 31.345 31.700 -1.052 0.000 0.783 54 E N -0.619 119.538 120.200 -0.072 0.000 2.333 54 E HA -0.177 4.173 4.350 0.001 0.000 0.200 54 E C 0.739 177.364 176.600 0.041 0.000 1.010 54 E CA 1.077 57.502 56.400 0.042 0.000 0.841 54 E CB -1.124 28.649 29.700 0.122 0.000 0.757 54 E HN 0.507 nan 8.360 nan 0.000 0.508 55 N N 0.225 118.961 118.700 0.060 0.000 2.279 55 N HA 0.151 4.891 4.740 0.001 0.000 0.226 55 N C 0.553 176.024 175.510 -0.064 0.000 1.126 55 N CA -0.162 52.895 53.050 0.013 0.000 0.846 55 N CB 0.872 39.351 38.487 -0.014 0.000 1.050 55 N HN 0.100 nan 8.380 nan 0.000 0.502 56 G N 1.686 110.560 108.800 0.123 0.000 2.529 56 G HA2 0.039 4.000 3.960 0.001 0.000 0.277 56 G HA3 0.039 4.000 3.960 0.001 0.000 0.277 56 G C -1.450 173.638 174.900 0.312 0.000 1.383 56 G CA -0.651 44.602 45.100 0.255 0.000 1.050 56 G HN -0.064 nan 8.290 nan 0.000 0.526 57 P HA 0.046 nan 4.420 nan 0.000 0.220 57 P C 1.051 178.525 177.300 0.291 0.000 1.148 57 P CA 1.671 64.960 63.100 0.315 0.000 0.803 57 P CB 0.136 32.099 31.700 0.439 0.000 0.782 58 G N -1.651 107.291 108.800 0.237 0.000 2.212 58 G HA2 -0.333 3.627 3.960 0.001 0.000 0.255 58 G HA3 -0.333 3.627 3.960 0.001 0.000 0.255 58 G C 0.500 175.485 174.900 0.142 0.000 1.062 58 G CA 0.150 45.362 45.100 0.187 0.000 0.815 58 G HN 0.266 nan 8.290 nan 0.000 0.497 59 Y N -0.734 119.504 120.300 -0.103 0.000 2.274 59 Y HA -0.061 4.489 4.550 0.001 0.000 0.290 59 Y C 2.353 178.215 175.900 -0.063 0.000 1.145 59 Y CA 2.161 59.975 58.100 -0.478 0.000 1.203 59 Y CB -0.167 37.958 38.460 -0.558 0.000 0.984 59 Y HN 0.536 nan 8.280 nan 0.000 0.533 60 W N 0.747 121.988 121.300 -0.098 0.000 2.325 60 W HA -0.200 4.461 4.660 0.001 0.000 0.299 60 W C 1.812 178.353 176.519 0.037 0.000 1.215 60 W CA 2.010 59.307 57.345 -0.080 0.000 1.244 60 W CB -0.571 28.849 29.460 -0.067 0.000 1.140 60 W HN 0.279 nan 8.180 nan 0.000 0.523 61 G N -0.999 107.876 108.800 0.125 0.000 2.762 61 G HA2 -0.117 3.844 3.960 0.001 0.000 0.209 61 G HA3 -0.117 3.844 3.960 0.001 0.000 0.209 61 G C 0.858 175.706 174.900 -0.085 0.000 1.134 61 G CA 0.036 45.164 45.100 0.048 0.000 0.781 61 G HN 0.080 nan 8.290 nan 0.000 0.528 62 N N 0.544 119.178 118.700 -0.110 0.000 2.273 62 N HA 0.104 4.845 4.740 0.001 0.000 0.231 62 N C 1.353 176.703 175.510 -0.266 0.000 1.134 62 N CA -0.397 52.563 53.050 -0.149 0.000 0.856 62 N CB 0.117 38.658 38.487 0.089 0.000 1.068 62 N HN 0.565 nan 8.380 nan 0.000 0.510 63 Y N 1.063 121.001 120.300 -0.603 0.000 2.151 63 Y HA -0.127 4.423 4.550 0.000 0.000 0.284 63 Y C 1.881 177.432 175.900 -0.582 0.000 1.166 63 Y CA 1.119 58.667 58.100 -0.920 0.000 1.163 63 Y CB -0.611 37.025 38.460 -1.374 0.000 0.974 63 Y HN -0.143 nan 8.280 nan 0.000 0.511 64 K N 0.005 119.856 120.400 -0.914 0.000 2.103 64 K HA -0.134 4.187 4.320 0.001 0.000 0.207 64 K C 2.049 178.566 176.600 -0.139 0.000 1.048 64 K CA 1.977 57.990 56.287 -0.456 0.000 0.930 64 K CB -0.392 31.804 32.500 -0.508 0.000 0.716 64 K HN 0.422 nan 8.250 nan 0.000 0.444 65 T N 0.734 115.235 114.554 -0.088 0.000 2.821 65 T HA -0.077 4.273 4.350 0.001 0.000 0.267 65 T C 1.471 176.247 174.700 0.126 0.000 1.046 65 T CA 1.020 63.138 62.100 0.029 0.000 1.139 65 T CB -0.204 68.684 68.868 0.033 0.000 0.871 65 T HN 0.042 nan 8.240 nan 0.000 0.454 66 F N 1.500 121.420 119.950 -0.050 0.000 2.051 66 F HA -0.046 4.481 4.527 0.001 0.000 0.296 66 F C 2.429 178.269 175.800 0.066 0.000 1.122 66 F CA 1.058 59.065 58.000 0.012 0.000 1.201 66 F CB -1.063 38.068 39.000 0.219 0.000 0.978 66 F HN 0.380 nan 8.300 nan 0.000 0.472 67 H N -1.481 117.788 119.070 0.332 0.000 2.352 67 H HA -0.207 4.349 4.556 0.000 0.000 0.299 67 H C 1.987 177.390 175.328 0.126 0.000 1.097 67 H CA 1.132 57.329 56.048 0.249 0.000 1.311 67 H CB -0.292 29.641 29.762 0.286 0.000 1.377 67 H HN 0.178 nan 8.280 nan 0.000 0.504 68 N N 0.710 119.539 118.700 0.216 0.000 2.166 68 N HA -0.149 4.592 4.740 0.001 0.000 0.186 68 N C 1.594 177.177 175.510 0.121 0.000 1.019 68 N CA 1.136 54.264 53.050 0.131 0.000 0.856 68 N CB -0.097 38.434 38.487 0.074 0.000 0.993 68 N HN 0.242 nan 8.380 nan 0.000 0.426 69 N N 0.012 118.770 118.700 0.097 0.000 2.188 69 N HA -0.056 4.685 4.740 0.001 0.000 0.184 69 N C 1.478 177.008 175.510 0.033 0.000 1.018 69 N CA 1.122 54.251 53.050 0.132 0.000 0.858 69 N CB -0.343 38.143 38.487 -0.002 0.000 0.989 69 N HN 0.370 nan 8.380 nan 0.000 0.426 70 A N 1.124 123.891 122.820 -0.089 0.000 1.933 70 A HA -0.189 4.131 4.320 0.001 0.000 0.218 70 A C 2.185 179.793 177.584 0.041 0.000 1.175 70 A CA 1.320 53.270 52.037 -0.145 0.000 0.628 70 A CB -0.616 18.219 19.000 -0.276 0.000 0.814 70 A HN 0.356 nan 8.150 nan 0.000 0.444 71 Q N -0.207 119.653 119.800 0.101 0.000 2.050 71 Q HA -0.195 4.146 4.340 0.001 0.000 0.202 71 Q C 1.893 177.960 176.000 0.112 0.000 0.980 71 Q CA 1.883 57.753 55.803 0.113 0.000 0.840 71 Q CB -0.129 28.677 28.738 0.113 0.000 0.898 71 Q HN 0.657 nan 8.270 nan 0.000 0.424 72 K N -0.131 120.361 120.400 0.152 0.000 2.280 72 K HA -0.098 4.223 4.320 0.001 0.000 0.202 72 K C 1.759 178.521 176.600 0.271 0.000 1.047 72 K CA 1.086 57.483 56.287 0.184 0.000 0.942 72 K CB -0.033 32.594 32.500 0.211 0.000 0.739 72 K HN 0.291 nan 8.250 nan 0.000 0.457 73 M N -0.458 119.299 119.600 0.262 0.000 2.561 73 M HA 0.043 4.523 4.480 0.001 0.000 0.238 73 M C 0.372 176.678 176.300 0.010 0.000 1.131 73 M CA 0.570 55.969 55.300 0.166 0.000 1.046 73 M CB 0.522 33.069 32.600 -0.088 0.000 1.532 73 M HN 0.374 nan 8.290 nan 0.000 0.497 74 G N 1.441 110.264 108.800 0.039 0.000 2.148 74 G HA2 -0.239 3.721 3.960 0.001 0.000 0.254 74 G HA3 -0.239 3.721 3.960 0.001 0.000 0.254 74 G C -0.019 174.890 174.900 0.015 0.000 0.981 74 G CA -0.011 45.098 45.100 0.015 0.000 0.670 74 G HN 0.455 nan 8.290 nan 0.000 0.528 75 L N -0.685 120.560 121.223 0.036 0.000 2.426 75 L HA 0.391 4.731 4.340 0.001 0.000 0.271 75 L C 1.360 178.334 176.870 0.173 0.000 1.169 75 L CA 0.257 55.171 54.840 0.123 0.000 0.836 75 L CB 0.798 42.999 42.059 0.236 0.000 1.112 75 L HN 0.094 nan 8.230 nan 0.000 0.465 76 K N 3.492 123.998 120.400 0.177 0.000 2.501 76 K HA 0.450 4.770 4.320 0.001 0.000 0.204 76 K C -0.555 176.120 176.600 0.125 0.000 1.067 76 K CA -0.027 56.343 56.287 0.139 0.000 1.060 76 K CB 1.230 33.792 32.500 0.102 0.000 0.873 76 K HN 0.489 nan 8.250 nan 0.000 0.540 77 I N -0.088 120.561 120.570 0.131 0.000 2.842 77 I HA 0.528 4.699 4.170 0.001 0.000 0.297 77 I C -2.213 173.860 176.117 -0.072 0.000 1.380 77 I CA -0.781 60.551 61.300 0.053 0.000 1.018 77 I CB 2.100 40.081 38.000 -0.032 0.000 1.311 77 I HN -0.017 nan 8.210 nan 0.000 0.439 78 A N 6.413 129.093 122.820 -0.232 0.000 2.520 78 A HA 0.757 5.077 4.320 0.001 0.000 0.298 78 A C -1.580 175.787 177.584 -0.362 0.000 1.051 78 A CA -0.679 50.978 52.037 -0.633 0.000 0.690 78 A CB 1.946 20.293 19.000 -1.090 0.000 1.281 78 A HN 0.673 nan 8.150 nan 0.000 0.402 79 R N 2.629 122.881 120.500 -0.414 0.000 2.409 79 R HA 0.664 5.004 4.340 0.001 0.000 0.313 79 R C -2.095 174.145 176.300 -0.101 0.000 0.953 79 R CA -0.336 55.651 56.100 -0.188 0.000 0.849 79 R CB 0.574 30.802 30.300 -0.120 0.000 1.171 79 R HN 0.558 nan 8.270 nan 0.000 0.458 80 L N 2.965 124.222 121.223 0.058 0.000 2.230 80 L HA 0.586 4.926 4.340 0.001 0.000 0.255 80 L C -0.137 176.859 176.870 0.209 0.000 1.039 80 L CA -0.896 54.048 54.840 0.173 0.000 0.846 80 L CB 1.545 43.794 42.059 0.316 0.000 1.419 80 L HN 0.764 nan 8.230 nan 0.000 0.435 81 N N -1.454 117.424 118.700 0.297 0.000 2.357 81 N HA 0.450 5.190 4.740 0.001 0.000 0.284 81 N C -1.500 174.215 175.510 0.341 0.000 1.236 81 N CA -0.481 52.749 53.050 0.300 0.000 0.774 81 N CB 1.964 40.663 38.487 0.354 0.000 1.534 81 N HN 0.400 nan 8.380 nan 0.000 0.478 82 S N 0.143 115.996 115.700 0.254 0.000 2.541 82 S HA 0.221 4.691 4.470 0.001 0.000 0.283 82 S C -0.486 174.374 174.600 0.433 0.000 1.196 82 S CA -0.630 57.607 58.200 0.062 0.000 1.062 82 S CB 0.857 63.993 63.200 -0.107 0.000 1.009 82 S HN 0.410 nan 8.310 nan 0.000 0.502 83 E N 2.297 122.818 120.200 0.535 0.000 2.052 83 E HA 0.006 4.356 4.350 0.001 0.000 0.283 83 E C 0.382 177.355 176.600 0.623 0.000 1.071 83 E CA -0.277 56.473 56.400 0.583 0.000 0.851 83 E CB 0.454 30.471 29.700 0.528 0.000 1.066 83 E HN 0.781 nan 8.360 nan 0.000 0.396 84 W N 4.457 125.942 121.300 0.309 0.000 2.290 84 W HA -0.318 4.342 4.660 0.000 0.000 0.318 84 W C 1.922 178.532 176.519 0.151 0.000 1.248 84 W CA 2.398 59.691 57.345 -0.088 0.000 1.263 84 W CB -0.698 28.476 29.460 -0.476 0.000 1.147 84 W HN 0.505 nan 8.180 nan 0.000 0.494 85 S N 0.386 116.292 115.700 0.344 0.000 2.400 85 S HA -0.216 4.255 4.470 0.001 0.000 0.232 85 S C 1.899 176.666 174.600 0.279 0.000 1.025 85 S CA 1.489 59.819 58.200 0.217 0.000 0.993 85 S CB -0.673 62.614 63.200 0.145 0.000 0.808 85 S HN 0.457 nan 8.310 nan 0.000 0.478 86 R N 0.505 121.207 120.500 0.337 0.000 2.115 86 R HA 0.102 4.443 4.340 0.001 0.000 0.226 86 R C 2.557 179.044 176.300 0.312 0.000 1.100 86 R CA 1.202 57.475 56.100 0.288 0.000 0.980 86 R CB -0.320 30.188 30.300 0.346 0.000 0.875 86 R HN 0.370 nan 8.270 nan 0.000 0.445 87 Q N -0.178 119.861 119.800 0.398 0.000 2.049 87 Q HA 0.024 4.364 4.340 0.001 0.000 0.198 87 Q C -0.131 175.712 176.000 -0.262 0.000 0.971 87 Q CA 1.271 57.161 55.803 0.144 0.000 0.833 87 Q CB 0.365 29.316 28.738 0.355 0.000 0.896 87 Q HN 0.158 nan 8.270 nan 0.000 0.434 88 F N 0.274 120.516 119.950 0.486 0.000 2.531 88 F HA 0.308 4.836 4.527 0.001 0.000 0.333 88 F C -1.783 174.261 175.800 0.408 0.000 1.292 88 F CA -1.985 56.266 58.000 0.418 0.000 1.184 88 F CB 1.575 40.905 39.000 0.550 0.000 1.426 88 F HN 0.039 nan 8.300 nan 0.000 0.559 89 P HA -0.076 nan 4.420 nan 0.000 0.225 89 P C -0.398 177.044 177.300 0.238 0.000 1.156 89 P CA 0.886 64.157 63.100 0.285 0.000 0.787 89 P CB 0.347 32.140 31.700 0.156 0.000 0.802 90 N N 0.605 119.354 118.700 0.082 0.000 2.466 90 N HA 0.341 5.081 4.740 0.001 0.000 0.294 90 N C -2.761 172.284 175.510 -0.774 0.000 1.129 90 N CA -2.065 50.890 53.050 -0.157 0.000 0.931 90 N CB 0.292 38.757 38.487 -0.037 0.000 1.193 90 N HN -0.074 nan 8.380 nan 0.000 0.500 91 P HA 0.038 nan 4.420 nan 0.000 0.268 91 P C -0.726 175.938 177.300 -1.061 0.000 1.204 91 P CA 0.278 62.591 63.100 -1.312 0.000 0.768 91 P CB 0.581 32.008 31.700 -0.454 0.000 0.842 92 L N 5.390 125.788 121.223 -1.374 0.000 2.379 92 L HA 0.444 4.785 4.340 0.001 0.000 0.269 92 L C -1.571 174.994 176.870 -0.507 0.000 1.084 92 L CA -2.166 52.136 54.840 -0.895 0.000 0.802 92 L CB 0.597 42.213 42.059 -0.739 0.000 1.175 92 L HN 0.273 nan 8.230 nan 0.000 0.448 93 P HA 0.053 nan 4.420 nan 0.000 0.269 93 P C -0.564 176.666 177.300 -0.117 0.000 1.209 93 P CA -0.402 62.590 63.100 -0.180 0.000 0.776 93 P CB 0.716 32.353 31.700 -0.106 0.000 0.876 94 R N 2.854 123.320 120.500 -0.057 0.000 2.698 94 R HA 0.099 4.439 4.340 0.001 0.000 0.266 94 R C -1.954 174.318 176.300 -0.047 0.000 1.026 94 R CA -0.949 55.135 56.100 -0.027 0.000 1.102 94 R CB -0.404 29.898 30.300 0.004 0.000 0.978 94 R HN 0.379 nan 8.270 nan 0.000 0.436 95 P HA 0.102 nan 4.420 nan 0.000 0.282 95 P C -1.206 176.067 177.300 -0.045 0.000 1.262 95 P CA -0.386 62.617 63.100 -0.163 0.000 0.773 95 P CB 1.080 32.377 31.700 -0.671 0.000 0.879 96 Q N 1.856 121.650 119.800 -0.010 0.000 2.316 96 Q HA 0.220 4.561 4.340 0.001 0.000 0.215 96 Q C 0.867 176.892 176.000 0.042 0.000 1.020 96 Q CA -0.585 55.230 55.803 0.019 0.000 0.970 96 Q CB -0.081 28.669 28.738 0.019 0.000 1.187 96 Q HN 0.567 nan 8.270 nan 0.000 0.546 97 N N -0.626 118.099 118.700 0.043 0.000 2.701 97 N HA -0.271 4.470 4.740 0.001 0.000 0.250 97 N C -1.415 174.161 175.510 0.109 0.000 1.046 97 N CA 0.657 53.739 53.050 0.054 0.000 0.733 97 N CB -1.512 37.006 38.487 0.053 0.000 0.973 97 N HN 0.518 nan 8.380 nan 0.000 0.541 98 F N 0.870 120.756 119.950 -0.107 0.000 2.557 98 F HA 0.451 4.978 4.527 0.001 0.000 0.316 98 F C -1.117 174.618 175.800 -0.108 0.000 1.141 98 F CA -1.452 56.457 58.000 -0.151 0.000 0.922 98 F CB 1.773 40.569 39.000 -0.340 0.000 1.194 98 F HN 0.032 nan 8.300 nan 0.000 0.443 99 D N 4.547 124.501 120.400 -0.743 0.000 2.441 99 D HA 0.228 4.868 4.640 0.001 0.000 0.231 99 D C 0.521 176.369 176.300 -0.753 0.000 1.073 99 D CA -0.041 53.630 54.000 -0.548 0.000 0.850 99 D CB 1.045 41.663 40.800 -0.303 0.000 1.062 99 D HN 0.714 nan 8.370 nan 0.000 0.524 100 E N 1.192 121.072 120.200 -0.533 0.000 2.338 100 E HA -0.129 4.221 4.350 0.001 0.000 0.197 100 E C 1.525 178.007 176.600 -0.196 0.000 1.007 100 E CA 0.754 56.955 56.400 -0.332 0.000 0.849 100 E CB 0.232 29.882 29.700 -0.083 0.000 0.774 100 E HN 0.559 nan 8.360 nan 0.000 0.506 101 S N 0.700 116.291 115.700 -0.182 0.000 2.461 101 S HA -0.072 4.398 4.470 0.001 0.000 0.228 101 S C 1.040 175.571 174.600 -0.115 0.000 1.005 101 S CA 0.139 58.268 58.200 -0.119 0.000 0.942 101 S CB -0.029 63.112 63.200 -0.099 0.000 0.776 101 S HN -0.053 nan 8.310 nan 0.000 0.514 102 K N 2.099 122.403 120.400 -0.160 0.000 2.451 102 K HA 0.074 4.394 4.320 0.001 0.000 0.280 102 K C 1.256 177.822 176.600 -0.056 0.000 1.020 102 K CA -0.001 56.217 56.287 -0.115 0.000 1.008 102 K CB 0.475 32.882 32.500 -0.155 0.000 0.917 102 K HN 0.346 nan 8.250 nan 0.000 0.478 103 Q N 2.230 122.020 119.800 -0.017 0.000 2.083 103 Q HA -0.090 4.251 4.340 0.001 0.000 0.198 103 Q C -0.457 175.632 176.000 0.148 0.000 0.969 103 Q CA 1.216 57.039 55.803 0.033 0.000 0.838 103 Q CB 0.393 29.121 28.738 -0.017 0.000 0.900 103 Q HN 0.633 nan 8.270 nan 0.000 0.436 104 D N -0.283 120.193 120.400 0.127 0.000 2.181 104 D HA 0.274 4.915 4.640 0.001 0.000 0.248 104 D C -1.155 175.216 176.300 0.119 0.000 1.020 104 D CA -0.348 53.749 54.000 0.160 0.000 0.891 104 D CB 2.155 43.036 40.800 0.135 0.000 1.187 104 D HN -0.124 nan 8.370 nan 0.000 0.443 105 V N 1.812 121.802 119.914 0.127 0.000 2.276 105 V HA 0.118 4.238 4.120 0.001 0.000 0.268 105 V C 1.319 177.471 176.094 0.097 0.000 1.032 105 V CA -0.497 61.900 62.300 0.161 0.000 0.810 105 V CB 0.713 32.676 31.823 0.233 0.000 1.060 105 V HN 0.738 nan 8.190 nan 0.000 0.446 106 T N -0.223 114.378 114.554 0.078 0.000 3.088 106 T HA 0.131 4.481 4.350 0.001 0.000 0.259 106 T C 0.394 175.118 174.700 0.040 0.000 1.122 106 T CA 0.744 62.868 62.100 0.041 0.000 1.095 106 T CB -0.012 68.875 68.868 0.032 0.000 0.930 106 T HN 0.842 nan 8.240 nan 0.000 0.508 107 E N -0.802 119.441 120.200 0.072 0.000 2.389 107 E HA 0.522 4.872 4.350 0.001 0.000 0.281 107 E C -2.227 174.427 176.600 0.090 0.000 1.072 107 E CA -1.209 55.224 56.400 0.056 0.000 0.845 107 E CB 1.422 31.145 29.700 0.038 0.000 1.239 107 E HN -0.023 nan 8.360 nan 0.000 0.434 108 V N 1.821 121.756 119.914 0.035 0.000 2.525 108 V HA 0.224 4.345 4.120 0.001 0.000 0.299 108 V C -0.448 175.623 176.094 -0.038 0.000 1.034 108 V CA -0.771 61.536 62.300 0.012 0.000 0.863 108 V CB 1.430 33.177 31.823 -0.126 0.000 0.999 108 V HN 0.788 nan 8.190 nan 0.000 0.423 109 E N 6.173 126.374 120.200 0.001 0.000 2.351 109 E HA 0.334 4.685 4.350 0.001 0.000 0.266 109 E C -0.958 175.591 176.600 -0.086 0.000 1.031 109 E CA -0.124 56.260 56.400 -0.026 0.000 0.911 109 E CB 0.742 30.448 29.700 0.010 0.000 0.986 109 E HN 0.412 nan 8.360 nan 0.000 0.446 110 I N 4.033 124.538 120.570 -0.108 0.000 2.447 110 I HA 0.307 4.478 4.170 0.001 0.000 0.287 110 I C -0.837 175.193 176.117 -0.144 0.000 1.023 110 I CA -0.903 60.306 61.300 -0.153 0.000 1.083 110 I CB 0.716 38.605 38.000 -0.185 0.000 1.245 110 I HN 0.763 nan 8.210 nan 0.000 0.434 111 N N 2.816 121.418 118.700 -0.163 0.000 2.732 111 N HA 0.255 4.995 4.740 0.001 0.000 0.259 111 N C 0.333 175.708 175.510 -0.224 0.000 1.402 111 N CA -0.882 52.075 53.050 -0.154 0.000 0.829 111 N CB 1.265 39.696 38.487 -0.094 0.000 1.495 111 N HN 0.458 nan 8.380 nan 0.000 0.511 112 E N -0.104 119.974 120.200 -0.203 0.000 2.097 112 E HA -0.280 4.070 4.350 0.001 0.000 0.196 112 E C 0.611 177.089 176.600 -0.202 0.000 1.000 112 E CA 1.649 57.899 56.400 -0.250 0.000 0.804 112 E CB -0.112 29.539 29.700 -0.082 0.000 0.740 112 E HN 0.533 nan 8.360 nan 0.000 0.454 113 N N 0.531 119.167 118.700 -0.107 0.000 2.120 113 N HA -0.167 4.574 4.740 0.001 0.000 0.188 113 N C 1.657 177.123 175.510 -0.073 0.000 1.024 113 N CA 1.037 54.052 53.050 -0.058 0.000 0.852 113 N CB -0.220 38.251 38.487 -0.028 0.000 1.003 113 N HN 0.253 nan 8.380 nan 0.000 0.424 114 E N 1.241 121.376 120.200 -0.109 0.000 2.051 114 E HA -0.065 4.285 4.350 0.001 0.000 0.192 114 E C 2.340 178.860 176.600 -0.135 0.000 0.991 114 E CA 0.431 56.770 56.400 -0.101 0.000 0.799 114 E CB -0.305 29.324 29.700 -0.119 0.000 0.748 114 E HN 0.379 nan 8.360 nan 0.000 0.449 115 L N 0.965 122.012 121.223 -0.292 0.000 2.083 115 L HA -0.191 4.150 4.340 0.001 0.000 0.209 115 L C 2.475 179.227 176.870 -0.196 0.000 1.083 115 L CA 1.047 55.628 54.840 -0.432 0.000 0.752 115 L CB -0.400 40.905 42.059 -1.257 0.000 0.899 115 L HN 0.008 nan 8.230 nan 0.000 0.433 116 K N 0.128 120.450 120.400 -0.130 0.000 2.057 116 K HA -0.203 4.117 4.320 0.001 0.000 0.207 116 K C 2.170 178.869 176.600 0.166 0.000 1.049 116 K CA 1.359 57.731 56.287 0.141 0.000 0.931 116 K CB -0.334 32.235 32.500 0.115 0.000 0.714 116 K HN 0.243 nan 8.250 nan 0.000 0.440 117 R N 0.940 121.500 120.500 0.100 0.000 2.090 117 R HA 0.038 4.378 4.340 0.001 0.000 0.228 117 R C 2.409 178.836 176.300 0.213 0.000 1.110 117 R CA 0.554 56.733 56.100 0.132 0.000 0.973 117 R CB -0.175 30.184 30.300 0.099 0.000 0.869 117 R HN 0.101 nan 8.270 nan 0.000 0.440 118 L N 0.759 122.081 121.223 0.165 0.000 2.046 118 L HA -0.207 4.134 4.340 0.001 0.000 0.208 118 L C 2.020 179.061 176.870 0.285 0.000 1.077 118 L CA 1.767 56.703 54.840 0.160 0.000 0.747 118 L CB -0.526 41.521 42.059 -0.019 0.000 0.896 118 L HN 0.404 nan 8.230 nan 0.000 0.432 119 D N 0.045 120.661 120.400 0.360 0.000 2.228 119 D HA -0.252 4.388 4.640 0.001 0.000 0.203 119 D C 1.674 178.165 176.300 0.319 0.000 0.988 119 D CA 1.212 55.511 54.000 0.498 0.000 0.864 119 D CB 0.161 41.372 40.800 0.685 0.000 0.928 119 D HN 0.522 nan 8.370 nan 0.000 0.469 120 E N -1.205 119.129 120.200 0.223 0.000 2.268 120 E HA -0.156 4.194 4.350 0.001 0.000 0.195 120 E C 1.333 177.918 176.600 -0.026 0.000 0.995 120 E CA 0.522 56.954 56.400 0.053 0.000 0.836 120 E CB 0.019 29.677 29.700 -0.070 0.000 0.763 120 E HN 0.489 nan 8.360 nan 0.000 0.491 121 Y N 0.225 120.626 120.300 0.169 0.000 2.500 121 Y HA 0.215 4.765 4.550 0.001 0.000 0.270 121 Y C 1.002 177.023 175.900 0.200 0.000 1.134 121 Y CA -0.174 58.039 58.100 0.188 0.000 1.293 121 Y CB 0.344 38.934 38.460 0.215 0.000 1.063 121 Y HN -0.104 nan 8.280 nan 0.000 0.534 122 A N 0.978 123.953 122.820 0.257 0.000 2.445 122 A HA 0.061 4.382 4.320 0.001 0.000 0.242 122 A C 0.299 177.882 177.584 -0.001 0.000 1.075 122 A CA -0.378 51.583 52.037 -0.127 0.000 0.777 122 A CB -0.018 18.928 19.000 -0.091 0.000 1.013 122 A HN 0.311 nan 8.150 nan 0.000 0.493 123 N N 1.469 120.149 118.700 -0.034 0.000 2.482 123 N HA 0.042 4.783 4.740 0.001 0.000 0.242 123 N C 0.621 176.199 175.510 0.114 0.000 1.100 123 N CA -0.318 52.770 53.050 0.064 0.000 0.946 123 N CB 0.620 39.160 38.487 0.089 0.000 1.227 123 N HN 0.476 nan 8.380 nan 0.000 0.508 124 K N 2.267 122.731 120.400 0.106 0.000 2.152 124 K HA -0.120 4.200 4.320 0.001 0.000 0.206 124 K C 0.763 177.438 176.600 0.126 0.000 1.048 124 K CA 1.082 57.438 56.287 0.114 0.000 0.933 124 K CB 0.049 32.598 32.500 0.081 0.000 0.721 124 K HN 0.559 nan 8.250 nan 0.000 0.447 125 D N 0.802 121.273 120.400 0.119 0.000 2.097 125 D HA -0.120 4.520 4.640 0.001 0.000 0.195 125 D C 1.848 178.265 176.300 0.196 0.000 0.989 125 D CA 1.551 55.627 54.000 0.127 0.000 0.827 125 D CB -0.105 40.757 40.800 0.103 0.000 0.966 125 D HN 0.167 nan 8.370 nan 0.000 0.456 126 A N 0.711 123.682 122.820 0.252 0.000 1.902 126 A HA -0.133 4.188 4.320 0.001 0.000 0.217 126 A C 2.188 180.043 177.584 0.452 0.000 1.181 126 A CA 0.903 53.177 52.037 0.395 0.000 0.623 126 A CB -0.725 18.510 19.000 0.391 0.000 0.818 126 A HN 0.200 nan 8.150 nan 0.000 0.443 127 L N 0.668 122.135 121.223 0.407 0.000 2.046 127 L HA -0.184 4.157 4.340 0.001 0.000 0.208 127 L C 1.933 179.010 176.870 0.345 0.000 1.077 127 L CA 2.298 57.416 54.840 0.462 0.000 0.747 127 L CB -0.848 41.393 42.059 0.303 0.000 0.896 127 L HN 0.507 nan 8.230 nan 0.000 0.432 128 N N -2.222 116.592 118.700 0.190 0.000 2.188 128 N HA -0.225 4.516 4.740 0.001 0.000 0.184 128 N C 1.850 177.367 175.510 0.012 0.000 1.018 128 N CA 0.848 53.951 53.050 0.089 0.000 0.858 128 N CB -0.239 38.282 38.487 0.056 0.000 0.989 128 N HN 0.479 nan 8.380 nan 0.000 0.426 129 H N -0.054 118.943 119.070 -0.123 0.000 2.357 129 H HA -0.115 4.441 4.556 0.000 0.000 0.301 129 H C 1.475 176.438 175.328 -0.610 0.000 1.082 129 H CA 1.484 57.276 56.048 -0.428 0.000 1.342 129 H CB 0.049 29.442 29.762 -0.614 0.000 1.389 129 H HN 0.271 nan 8.280 nan 0.000 0.511 130 Y N 1.200 121.277 120.300 -0.371 0.000 2.165 130 Y HA -0.207 4.343 4.550 0.000 0.000 0.286 130 Y C 3.057 178.467 175.900 -0.816 0.000 1.155 130 Y CA 1.777 59.451 58.100 -0.710 0.000 1.164 130 Y CB -0.435 37.830 38.460 -0.325 0.000 0.978 130 Y HN 0.174 nan 8.280 nan 0.000 0.513 131 R N 0.574 121.095 120.500 0.035 0.000 2.105 131 R HA -0.188 4.153 4.340 0.001 0.000 0.239 131 R C 1.975 178.208 176.300 -0.111 0.000 1.135 131 R CA 1.942 58.150 56.100 0.181 0.000 0.967 131 R CB -0.226 30.202 30.300 0.213 0.000 0.861 131 R HN 0.404 nan 8.270 nan 0.000 0.442 132 E N 0.241 120.258 120.200 -0.305 0.000 2.072 132 E HA -0.178 4.173 4.350 0.001 0.000 0.191 132 E C 2.073 178.376 176.600 -0.494 0.000 0.985 132 E CA 1.521 57.712 56.400 -0.348 0.000 0.801 132 E CB -0.092 29.357 29.700 -0.417 0.000 0.750 132 E HN 0.423 nan 8.360 nan 0.000 0.452 133 I N 0.551 120.546 120.570 -0.958 0.000 2.163 133 I HA -0.270 3.900 4.170 0.001 0.000 0.243 133 I C 2.020 177.971 176.117 -0.276 0.000 1.085 133 I CA 1.069 61.754 61.300 -1.025 0.000 1.347 133 I CB -0.248 36.991 38.000 -1.270 0.000 1.044 133 I HN 0.064 nan 8.210 nan 0.000 0.408 134 F N 1.157 120.947 119.950 -0.267 0.000 2.234 134 F HA -0.096 4.431 4.527 0.000 0.000 0.299 134 F C 2.406 178.068 175.800 -0.231 0.000 1.087 134 F CA 0.870 58.661 58.000 -0.349 0.000 1.340 134 F CB -1.036 37.759 39.000 -0.342 0.000 1.031 134 F HN -0.036 nan 8.300 nan 0.000 0.500 135 K N 0.042 120.468 120.400 0.043 0.000 2.097 135 K HA -0.184 4.137 4.320 0.001 0.000 0.205 135 K C 1.984 178.604 176.600 0.034 0.000 1.050 135 K CA 1.422 57.727 56.287 0.031 0.000 0.938 135 K CB -0.387 32.125 32.500 0.019 0.000 0.718 135 K HN 0.242 nan 8.250 nan 0.000 0.442 136 D N 1.153 121.597 120.400 0.074 0.000 2.117 136 D HA -0.168 4.472 4.640 0.001 0.000 0.197 136 D C 2.023 178.402 176.300 0.131 0.000 0.987 136 D CA 0.770 54.871 54.000 0.168 0.000 0.829 136 D CB 0.186 41.200 40.800 0.356 0.000 0.961 136 D HN 0.019 nan 8.370 nan 0.000 0.460 137 L N 1.430 122.658 121.223 0.009 0.000 2.017 137 L HA -0.155 4.185 4.340 0.001 0.000 0.208 137 L C 2.299 179.087 176.870 -0.138 0.000 1.073 137 L CA 1.688 56.369 54.840 -0.265 0.000 0.745 137 L CB -0.385 41.404 42.059 -0.449 0.000 0.894 137 L HN -0.146 nan 8.230 nan 0.000 0.432 138 K N -0.387 119.949 120.400 -0.106 0.000 2.103 138 K HA -0.045 4.276 4.320 0.001 0.000 0.204 138 K C 2.184 178.782 176.600 -0.004 0.000 1.052 138 K CA 1.354 57.610 56.287 -0.052 0.000 0.945 138 K CB -0.497 31.979 32.500 -0.039 0.000 0.722 138 K HN 0.607 nan 8.250 nan 0.000 0.443 139 S N 0.957 116.664 115.700 0.013 0.000 2.469 139 S HA -0.079 4.391 4.470 0.001 0.000 0.238 139 S C 1.629 176.251 174.600 0.037 0.000 0.998 139 S CA 0.642 58.858 58.200 0.028 0.000 0.957 139 S CB -0.162 63.059 63.200 0.036 0.000 0.764 139 S HN 0.247 nan 8.310 nan 0.000 0.514 140 R N 0.554 121.078 120.500 0.041 0.000 2.359 140 R HA 0.309 4.650 4.340 0.001 0.000 0.231 140 R C 1.430 177.764 176.300 0.056 0.000 0.913 140 R CA 0.345 56.479 56.100 0.057 0.000 1.075 140 R CB -0.120 30.228 30.300 0.080 0.000 1.087 140 R HN 0.546 nan 8.270 nan 0.000 0.515 141 G N 1.271 110.099 108.800 0.045 0.000 2.148 141 G HA2 -0.288 3.673 3.960 0.001 0.000 0.254 141 G HA3 -0.288 3.673 3.960 0.001 0.000 0.254 141 G C 0.058 175.002 174.900 0.073 0.000 0.981 141 G CA -0.146 44.988 45.100 0.056 0.000 0.670 141 G HN 0.199 nan 8.290 nan 0.000 0.528 142 L N 0.094 121.353 121.223 0.060 0.000 2.331 142 L HA 0.470 4.810 4.340 0.001 0.000 0.278 142 L C 0.947 177.871 176.870 0.090 0.000 1.106 142 L CA -1.258 53.630 54.840 0.081 0.000 0.824 142 L CB 0.593 42.687 42.059 0.057 0.000 1.142 142 L HN 0.195 nan 8.230 nan 0.000 0.443 143 Y N 3.540 123.824 120.300 -0.026 0.000 2.497 143 Y HA 0.125 4.675 4.550 0.001 0.000 0.334 143 Y C -0.496 175.387 175.900 -0.028 0.000 1.199 143 Y CA 0.151 58.222 58.100 -0.048 0.000 1.425 143 Y CB 0.562 38.966 38.460 -0.093 0.000 1.291 143 Y HN 0.355 nan 8.280 nan 0.000 0.562 144 F N 7.324 126.958 119.950 -0.526 0.000 2.499 144 F HA 0.497 5.025 4.527 0.000 0.000 0.333 144 F C -1.413 174.062 175.800 -0.542 0.000 1.138 144 F CA -1.856 55.858 58.000 -0.475 0.000 0.945 144 F CB 0.504 39.245 39.000 -0.432 0.000 1.181 144 F HN 0.312 nan 8.300 nan 0.000 0.435 145 I N 5.745 125.937 120.570 -0.631 0.000 2.307 145 I HA 0.202 4.372 4.170 0.001 0.000 0.289 145 I C -0.577 174.992 176.117 -0.913 0.000 1.021 145 I CA -0.829 60.062 61.300 -0.681 0.000 1.224 145 I CB 1.437 39.209 38.000 -0.380 0.000 1.376 145 I HN 0.505 nan 8.210 nan 0.000 0.470 146 Q N 6.314 125.471 119.800 -1.071 0.000 2.314 146 Q HA 0.201 4.541 4.340 0.001 0.000 0.257 146 Q C -0.661 175.225 176.000 -0.191 0.000 0.975 146 Q CA -0.115 55.182 55.803 -0.843 0.000 0.933 146 Q CB 0.750 28.977 28.738 -0.853 0.000 1.195 146 Q HN 0.569 nan 8.270 nan 0.000 0.426 147 N N 3.863 122.538 118.700 -0.041 0.000 2.456 147 N HA 0.189 4.929 4.740 0.001 0.000 0.288 147 N C 0.232 175.884 175.510 0.236 0.000 1.059 147 N CA -0.321 52.818 53.050 0.150 0.000 0.946 147 N CB 0.742 39.344 38.487 0.192 0.000 1.150 147 N HN 0.633 nan 8.380 nan 0.000 0.479 148 M N 1.556 121.352 119.600 0.327 0.000 2.388 148 M HA 0.079 4.559 4.480 0.001 0.000 0.265 148 M C -0.423 176.341 176.300 0.774 0.000 1.088 148 M CA 0.720 56.294 55.300 0.458 0.000 1.134 148 M CB -0.804 32.004 32.600 0.347 0.000 1.384 148 M HN 0.613 nan 8.290 nan 0.000 0.447 149 Y N -0.427 120.197 120.300 0.540 0.000 2.441 149 Y HA 0.355 4.905 4.550 0.000 0.000 0.334 149 Y C -0.978 175.186 175.900 0.441 0.000 1.061 149 Y CA -1.376 57.054 58.100 0.550 0.000 1.032 149 Y CB 0.915 39.697 38.460 0.537 0.000 1.266 149 Y HN 0.210 nan 8.280 nan 0.000 0.441 150 H N 6.690 125.651 119.070 -0.183 0.000 2.624 150 H HA 0.265 4.822 4.556 0.001 0.000 0.233 150 H C -0.750 174.347 175.328 -0.384 0.000 1.376 150 H CA -0.199 55.646 56.048 -0.338 0.000 1.137 150 H CB 0.043 29.745 29.762 -0.099 0.000 1.867 150 H HN 0.797 nan 8.280 nan 0.000 0.547 151 W N -2.798 117.937 121.300 -0.943 0.000 0.269 151 W HA -0.215 4.445 4.660 0.001 0.000 0.213 151 W C -2.176 174.477 176.519 0.223 0.000 0.912 151 W CA 0.461 57.583 57.345 -0.372 0.000 0.324 151 W CB -2.661 26.555 29.460 -0.408 0.000 1.905 151 W HN 0.369 nan 8.180 nan 0.000 1.110 152 P HA 0.267 nan 4.420 nan 0.000 0.265 152 P C 0.083 177.679 177.300 0.493 0.000 1.193 152 P CA 0.732 64.120 63.100 0.479 0.000 0.765 152 P CB 0.270 32.098 31.700 0.214 0.000 0.823 153 L N 5.562 126.947 121.223 0.270 0.000 2.346 153 L HA 0.496 4.836 4.340 0.001 0.000 0.274 153 L C -2.126 174.588 176.870 -0.260 0.000 1.007 153 L CA -2.743 52.058 54.840 -0.065 0.000 0.818 153 L CB 2.192 44.112 42.059 -0.231 0.000 1.284 153 L HN 0.196 nan 8.230 nan 0.000 0.424 154 P HA 0.002 nan 4.420 nan 0.000 0.266 154 P C 0.880 177.884 177.300 -0.495 0.000 1.195 154 P CA -0.033 62.748 63.100 -0.531 0.000 0.768 154 P CB 1.008 32.194 31.700 -0.856 0.000 0.838 155 L N 2.428 123.532 121.223 -0.198 0.000 2.129 155 L HA -0.155 4.186 4.340 0.001 0.000 0.212 155 L C 2.292 179.105 176.870 -0.094 0.000 1.087 155 L CA 1.482 56.257 54.840 -0.109 0.000 0.757 155 L CB -0.716 41.344 42.059 0.002 0.000 0.896 155 L HN 0.612 nan 8.230 nan 0.000 0.434 156 W N -1.010 120.221 121.300 -0.114 0.000 2.848 156 W HA -0.046 4.614 4.660 0.001 0.000 0.241 156 W C 1.136 177.576 176.519 -0.132 0.000 1.289 156 W CA 0.228 57.511 57.345 -0.103 0.000 1.396 156 W CB -0.564 28.842 29.460 -0.090 0.000 1.138 156 W HN 0.215 nan 8.180 nan 0.000 0.677 157 L N -0.463 120.386 121.223 -0.622 0.000 2.701 157 L HA 0.284 4.624 4.340 0.001 0.000 0.238 157 L C 0.083 176.770 176.870 -0.306 0.000 1.106 157 L CA 0.365 54.825 54.840 -0.634 0.000 0.898 157 L CB 0.035 41.394 42.059 -1.167 0.000 1.188 157 L HN 0.005 nan 8.230 nan 0.000 0.508 158 H N 0.005 118.870 119.070 -0.342 0.000 3.235 158 H HA 0.082 4.638 4.556 0.001 0.000 0.324 158 H C -1.684 173.562 175.328 -0.136 0.000 1.059 158 H CA -0.559 55.353 56.048 -0.227 0.000 1.497 158 H CB 1.632 31.229 29.762 -0.275 0.000 1.986 158 H HN -0.138 nan 8.280 nan 0.000 0.444 159 D N 7.878 128.192 120.400 -0.143 0.000 2.467 159 D HA 0.127 4.768 4.640 0.001 0.000 0.220 159 D C -1.543 174.563 176.300 -0.324 0.000 1.103 159 D CA -2.444 51.439 54.000 -0.196 0.000 0.886 159 D CB 1.734 42.493 40.800 -0.069 0.000 1.025 159 D HN 0.360 nan 8.370 nan 0.000 0.514 160 P HA -0.168 nan 4.420 nan 0.000 0.216 160 P C 1.627 178.935 177.300 0.013 0.000 1.150 160 P CA 0.565 63.421 63.100 -0.407 0.000 0.837 160 P CB 0.537 32.018 31.700 -0.364 0.000 0.786 161 I N 0.042 120.635 120.570 0.038 0.000 2.252 161 I HA -0.120 4.050 4.170 0.001 0.000 0.245 161 I C 2.871 178.981 176.117 -0.012 0.000 1.102 161 I CA 1.050 62.375 61.300 0.042 0.000 1.385 161 I CB -1.656 36.339 38.000 -0.009 0.000 1.064 161 I HN -0.034 nan 8.210 nan 0.000 0.414 162 R N 0.760 121.229 120.500 -0.052 0.000 2.080 162 R HA -0.146 4.194 4.340 0.001 0.000 0.236 162 R C 2.414 178.613 176.300 -0.168 0.000 1.137 162 R CA 1.729 57.775 56.100 -0.090 0.000 0.943 162 R CB -0.213 30.039 30.300 -0.081 0.000 0.846 162 R HN 0.164 nan 8.270 nan 0.000 0.431 163 V N 1.159 120.971 119.914 -0.170 0.000 2.407 163 V HA -0.236 3.884 4.120 0.001 0.000 0.248 163 V C 2.537 178.516 176.094 -0.191 0.000 1.055 163 V CA 1.816 63.922 62.300 -0.323 0.000 1.049 163 V CB -0.706 31.079 31.823 -0.062 0.000 0.662 163 V HN 0.384 nan 8.190 nan 0.000 0.455 164 R N 0.718 121.240 120.500 0.037 0.000 2.127 164 R HA -0.140 4.200 4.340 0.001 0.000 0.238 164 R C 2.218 178.606 176.300 0.147 0.000 1.134 164 R CA 1.540 57.752 56.100 0.187 0.000 0.975 164 R CB -0.207 30.243 30.300 0.249 0.000 0.865 164 R HN 0.446 nan 8.270 nan 0.000 0.447 165 R N -1.073 119.439 120.500 0.020 0.000 2.323 165 R HA 0.039 4.379 4.340 0.001 0.000 0.198 165 R C 1.046 177.341 176.300 -0.008 0.000 0.988 165 R CA 0.584 56.687 56.100 0.005 0.000 1.041 165 R CB 0.224 30.504 30.300 -0.033 0.000 0.926 165 R HN 0.526 nan 8.270 nan 0.000 0.476 166 G N 1.470 110.205 108.800 -0.108 0.000 2.157 166 G HA2 -0.262 3.698 3.960 0.001 0.000 0.239 166 G HA3 -0.262 3.698 3.960 0.001 0.000 0.239 166 G C -0.460 174.161 174.900 -0.465 0.000 0.982 166 G CA 0.114 45.104 45.100 -0.183 0.000 0.650 166 G HN 0.407 nan 8.290 nan 0.000 0.527 167 D N -0.150 119.947 120.400 -0.506 0.000 2.347 167 D HA 0.561 5.201 4.640 0.001 0.000 0.235 167 D C 0.426 176.402 176.300 -0.540 0.000 1.149 167 D CA -0.852 52.936 54.000 -0.353 0.000 0.850 167 D CB -0.033 40.663 40.800 -0.174 0.000 1.061 167 D HN 0.035 nan 8.370 nan 0.000 0.487 168 F N 1.680 121.597 119.950 -0.056 0.000 2.750 168 F HA 0.129 4.657 4.527 0.001 0.000 0.297 168 F C 2.042 177.823 175.800 -0.031 0.000 1.138 168 F CA -0.203 57.761 58.000 -0.060 0.000 1.346 168 F CB 0.337 39.282 39.000 -0.093 0.000 0.965 168 F HN 0.381 nan 8.300 nan 0.000 0.514 169 T N -3.349 111.248 114.554 0.071 0.000 3.107 169 T HA 0.386 4.737 4.350 0.001 0.000 0.249 169 T C 1.085 175.810 174.700 0.041 0.000 1.096 169 T CA 0.325 62.459 62.100 0.057 0.000 1.012 169 T CB 0.032 68.920 68.868 0.034 0.000 0.977 169 T HN 0.186 nan 8.240 nan 0.000 0.527 170 G N 1.464 110.284 108.800 0.032 0.000 2.971 170 G HA2 0.621 4.582 3.960 0.001 0.000 0.235 170 G HA3 0.621 4.582 3.960 0.001 0.000 0.235 170 G C -2.829 172.100 174.900 0.047 0.000 1.351 170 G CA -1.947 43.172 45.100 0.031 0.000 1.039 170 G HN 0.084 nan 8.290 nan 0.000 0.563 171 P HA 0.142 nan 4.420 nan 0.000 0.260 171 P C 0.351 177.699 177.300 0.080 0.000 1.207 171 P CA 0.201 63.321 63.100 0.033 0.000 0.780 171 P CB 0.870 32.578 31.700 0.013 0.000 0.789 172 S N 2.152 117.880 115.700 0.047 0.000 2.583 172 S HA 0.407 4.877 4.470 0.001 0.000 0.239 172 S C 1.245 175.721 174.600 -0.207 0.000 0.966 172 S CA -0.063 58.175 58.200 0.064 0.000 0.973 172 S CB -0.782 62.487 63.200 0.116 0.000 0.794 172 S HN 0.637 nan 8.310 nan 0.000 0.463 173 G N 2.080 110.644 108.800 -0.393 0.000 2.634 173 G HA2 -0.358 3.603 3.960 0.001 0.000 0.309 173 G HA3 -0.358 3.603 3.960 0.001 0.000 0.309 173 G C 0.323 174.910 174.900 -0.522 0.000 1.265 173 G CA 0.409 45.065 45.100 -0.741 0.000 0.998 173 G HN 0.623 nan 8.290 nan 0.000 0.551 174 W N 0.917 122.080 121.300 -0.229 0.000 2.848 174 W HA 0.346 5.006 4.660 0.000 0.000 0.241 174 W C 2.290 178.759 176.519 -0.083 0.000 1.289 174 W CA 0.101 57.381 57.345 -0.107 0.000 1.396 174 W CB -0.175 29.252 29.460 -0.056 0.000 1.138 174 W HN 0.254 nan 8.180 nan 0.000 0.677 175 L N -0.438 120.815 121.223 0.051 0.000 2.558 175 L HA 0.097 4.438 4.340 0.001 0.000 0.225 175 L C 1.232 178.120 176.870 0.030 0.000 1.128 175 L CA 0.340 55.186 54.840 0.010 0.000 0.868 175 L CB -0.229 41.823 42.059 -0.012 0.000 1.006 175 L HN -0.254 nan 8.230 nan 0.000 0.454 176 S N -0.789 114.933 115.700 0.036 0.000 2.454 176 S HA 0.209 4.679 4.470 0.001 0.000 0.306 176 S C 1.179 175.859 174.600 0.133 0.000 1.100 176 S CA -0.437 57.800 58.200 0.061 0.000 1.087 176 S CB 1.446 64.662 63.200 0.026 0.000 1.019 176 S HN 0.307 nan 8.310 nan 0.000 0.480 177 T N 2.538 117.206 114.554 0.191 0.000 3.051 177 T HA -0.050 4.300 4.350 0.001 0.000 0.269 177 T C 1.719 176.665 174.700 0.410 0.000 1.127 177 T CA 0.675 62.961 62.100 0.310 0.000 1.107 177 T CB -0.249 68.804 68.868 0.308 0.000 0.898 177 T HN 0.557 nan 8.240 nan 0.000 0.517 178 R N 1.778 122.472 120.500 0.322 0.000 2.096 178 R HA -0.022 4.319 4.340 0.001 0.000 0.235 178 R C 2.240 178.631 176.300 0.152 0.000 1.127 178 R CA 1.999 58.244 56.100 0.241 0.000 0.968 178 R CB -1.401 29.002 30.300 0.172 0.000 0.861 178 R HN 0.408 nan 8.270 nan 0.000 0.440 179 T N -0.111 114.474 114.554 0.051 0.000 2.777 179 T HA -0.065 4.285 4.350 0.001 0.000 0.266 179 T C 1.789 176.572 174.700 0.137 0.000 1.040 179 T CA 1.424 63.467 62.100 -0.094 0.000 1.141 179 T CB -0.252 68.329 68.868 -0.478 0.000 0.868 179 T HN 0.018 nan 8.240 nan 0.000 0.444 180 V N 0.674 120.753 119.914 0.275 0.000 2.255 180 V HA -0.204 3.916 4.120 0.001 0.000 0.247 180 V C 2.005 178.291 176.094 0.321 0.000 1.051 180 V CA 1.821 64.367 62.300 0.410 0.000 1.018 180 V CB -0.748 31.296 31.823 0.368 0.000 0.641 180 V HN 0.523 nan 8.190 nan 0.000 0.445 181 Y N 1.269 121.625 120.300 0.094 0.000 2.097 181 Y HA -0.257 4.294 4.550 0.001 0.000 0.282 181 Y C 2.658 178.538 175.900 -0.033 0.000 1.152 181 Y CA 2.180 60.226 58.100 -0.091 0.000 1.136 181 Y CB -0.135 38.003 38.460 -0.536 0.000 0.975 181 Y HN 0.236 nan 8.280 nan 0.000 0.498 182 E N -0.338 119.955 120.200 0.156 0.000 2.150 182 E HA -0.202 4.148 4.350 0.001 0.000 0.193 182 E C 2.018 178.702 176.600 0.140 0.000 0.985 182 E CA 1.056 57.560 56.400 0.173 0.000 0.814 182 E CB -0.728 29.230 29.700 0.430 0.000 0.752 182 E HN 0.587 nan 8.360 nan 0.000 0.466 183 F N 1.568 121.532 119.950 0.023 0.000 2.186 183 F HA -0.055 4.472 4.527 0.001 0.000 0.299 183 F C 2.178 177.882 175.800 -0.161 0.000 1.090 183 F CA 1.090 58.945 58.000 -0.242 0.000 1.307 183 F CB -0.326 38.692 39.000 0.031 0.000 1.019 183 F HN -0.031 nan 8.300 nan 0.000 0.489 184 A N 0.868 123.557 122.820 -0.218 0.000 1.877 184 A HA -0.192 4.129 4.320 0.001 0.000 0.216 184 A C 2.364 179.715 177.584 -0.388 0.000 1.186 184 A CA 1.823 53.658 52.037 -0.336 0.000 0.620 184 A CB -0.733 18.138 19.000 -0.215 0.000 0.822 184 A HN 0.440 nan 8.150 nan 0.000 0.443 185 R N -1.830 118.448 120.500 -0.370 0.000 2.073 185 R HA -0.126 4.214 4.340 0.001 0.000 0.234 185 R C 2.040 178.206 176.300 -0.223 0.000 1.134 185 R CA 1.612 57.520 56.100 -0.320 0.000 0.952 185 R CB -0.609 29.470 30.300 -0.369 0.000 0.850 185 R HN 0.588 nan 8.270 nan 0.000 0.433 186 F N 1.737 121.438 119.950 -0.415 0.000 2.095 186 F HA -0.224 4.304 4.527 0.001 0.000 0.298 186 F C 2.166 177.799 175.800 -0.277 0.000 1.104 186 F CA 1.686 59.461 58.000 -0.376 0.000 1.232 186 F CB -0.405 38.059 39.000 -0.894 0.000 0.987 186 F HN -0.141 nan 8.300 nan 0.000 0.475 187 S N 0.663 115.946 115.700 -0.696 0.000 2.359 187 S HA -0.197 4.274 4.470 0.001 0.000 0.224 187 S C 2.349 176.662 174.600 -0.478 0.000 1.035 187 S CA 1.223 58.996 58.200 -0.711 0.000 1.018 187 S CB -1.036 61.707 63.200 -0.762 0.000 0.876 187 S HN 0.578 nan 8.310 nan 0.000 0.448 188 A N 0.585 123.186 122.820 -0.364 0.000 1.902 188 A HA -0.142 4.178 4.320 0.001 0.000 0.217 188 A C 1.954 179.474 177.584 -0.106 0.000 1.181 188 A CA 1.718 53.604 52.037 -0.251 0.000 0.623 188 A CB -1.028 17.829 19.000 -0.237 0.000 0.818 188 A HN 0.573 nan 8.150 nan 0.000 0.443 189 Y N 1.168 121.369 120.300 -0.165 0.000 2.097 189 Y HA -0.225 4.325 4.550 0.001 0.000 0.282 189 Y C 2.708 178.685 175.900 0.128 0.000 1.152 189 Y CA 2.455 60.595 58.100 0.066 0.000 1.136 189 Y CB -0.828 37.722 38.460 0.150 0.000 0.975 189 Y HN 0.303 nan 8.280 nan 0.000 0.498 190 T N 0.605 115.110 114.554 -0.081 0.000 2.746 190 T HA -0.200 4.150 4.350 0.001 0.000 0.267 190 T C 2.079 176.835 174.700 0.093 0.000 1.039 190 T CA 1.528 63.626 62.100 -0.003 0.000 1.142 190 T CB -0.783 67.999 68.868 -0.143 0.000 0.866 190 T HN 0.506 nan 8.240 nan 0.000 0.444 191 A N 0.293 123.084 122.820 -0.048 0.000 1.933 191 A HA -0.101 4.219 4.320 0.001 0.000 0.218 191 A C 2.022 179.654 177.584 0.081 0.000 1.175 191 A CA 1.438 53.462 52.037 -0.021 0.000 0.628 191 A CB -1.057 17.690 19.000 -0.422 0.000 0.814 191 A HN 0.702 nan 8.150 nan 0.000 0.444 192 W N 1.072 122.258 121.300 -0.189 0.000 2.374 192 W HA -0.103 4.557 4.660 0.001 0.000 0.288 192 W C 1.723 178.099 176.519 -0.239 0.000 1.218 192 W CA 1.879 59.109 57.345 -0.192 0.000 1.245 192 W CB 0.130 29.464 29.460 -0.209 0.000 1.126 192 W HN 0.249 nan 8.180 nan 0.000 0.545 193 K N -1.616 118.563 120.400 -0.368 0.000 2.352 193 K HA 0.067 4.388 4.320 0.001 0.000 0.194 193 K C 0.867 177.069 176.600 -0.664 0.000 1.038 193 K CA 0.443 56.307 56.287 -0.705 0.000 1.023 193 K CB -0.172 31.774 32.500 -0.923 0.000 0.840 193 K HN 0.117 nan 8.250 nan 0.000 0.519 194 F N 0.524 120.449 119.950 -0.042 0.000 2.706 194 F HA 0.120 4.647 4.527 0.001 0.000 0.313 194 F C 1.408 177.238 175.800 0.050 0.000 1.096 194 F CA -0.550 57.481 58.000 0.051 0.000 1.219 194 F CB 0.280 39.366 39.000 0.145 0.000 1.051 194 F HN -0.090 nan 8.300 nan 0.000 0.568 195 D N 1.255 121.767 120.400 0.188 0.000 2.203 195 D HA -0.235 4.405 4.640 0.001 0.000 0.199 195 D C 1.966 178.300 176.300 0.058 0.000 0.997 195 D CA 1.980 56.078 54.000 0.163 0.000 0.863 195 D CB -0.028 40.860 40.800 0.146 0.000 0.928 195 D HN 0.376 nan 8.370 nan 0.000 0.458 196 D N -0.251 120.172 120.400 0.038 0.000 2.264 196 D HA -0.166 4.475 4.640 0.001 0.000 0.208 196 D C 2.012 178.333 176.300 0.035 0.000 0.966 196 D CA 0.629 54.639 54.000 0.017 0.000 0.864 196 D CB -0.327 40.470 40.800 -0.005 0.000 0.933 196 D HN 0.380 nan 8.370 nan 0.000 0.499 197 L N 0.327 121.606 121.223 0.093 0.000 2.515 197 L HA 0.149 4.490 4.340 0.001 0.000 0.223 197 L C 0.754 177.677 176.870 0.088 0.000 1.079 197 L CA -0.083 54.830 54.840 0.121 0.000 0.857 197 L CB 0.579 42.789 42.059 0.252 0.000 1.050 197 L HN -0.174 nan 8.230 nan 0.000 0.476 198 V N 0.627 120.505 119.914 -0.060 0.000 2.649 198 V HA 0.050 4.170 4.120 0.001 0.000 0.292 198 V C 0.539 176.354 176.094 -0.465 0.000 1.055 198 V CA -0.037 62.022 62.300 -0.401 0.000 1.023 198 V CB 1.672 33.014 31.823 -0.801 0.000 0.992 198 V HN 0.165 nan 8.190 nan 0.000 0.480 199 D N 1.749 121.772 120.400 -0.628 0.000 2.431 199 D HA 0.168 4.808 4.640 0.001 0.000 0.235 199 D C 0.391 176.378 176.300 -0.522 0.000 0.980 199 D CA 0.681 54.297 54.000 -0.640 0.000 0.912 199 D CB 0.912 40.949 40.800 -1.271 0.000 1.056 199 D HN 0.671 nan 8.370 nan 0.000 0.494 200 E N -0.579 119.261 120.200 -0.600 0.000 2.366 200 E HA 0.345 4.695 4.350 0.001 0.000 0.278 200 E C -1.379 175.021 176.600 -0.332 0.000 0.923 200 E CA -0.598 55.618 56.400 -0.306 0.000 0.761 200 E CB 2.270 31.880 29.700 -0.151 0.000 1.231 200 E HN -0.073 nan 8.360 nan 0.000 0.443 201 Y N 0.286 120.658 120.300 0.120 0.000 2.496 201 Y HA 0.520 5.070 4.550 0.000 0.000 0.331 201 Y C 0.296 176.361 175.900 0.276 0.000 1.140 201 Y CA -0.602 57.550 58.100 0.087 0.000 1.166 201 Y CB 2.231 40.691 38.460 0.000 0.000 1.249 201 Y HN 0.320 nan 8.280 nan 0.000 0.479 202 S N -0.398 115.505 115.700 0.338 0.000 2.619 202 S HA 0.271 4.741 4.470 0.001 0.000 0.280 202 S C 0.518 175.246 174.600 0.214 0.000 1.150 202 S CA -0.138 58.179 58.200 0.195 0.000 0.978 202 S CB 0.830 64.145 63.200 0.192 0.000 1.041 202 S HN 0.835 nan 8.310 nan 0.000 0.485 203 T N 2.479 117.172 114.554 0.232 0.000 2.770 203 T HA 0.152 4.503 4.350 0.001 0.000 0.263 203 T C 0.934 175.946 174.700 0.520 0.000 1.039 203 T CA 1.128 63.451 62.100 0.373 0.000 1.142 203 T CB -0.535 68.625 68.868 0.487 0.000 0.868 203 T HN 0.802 nan 8.240 nan 0.000 0.435 204 M N -0.404 119.414 119.600 0.364 0.000 2.721 204 M HA 0.632 5.112 4.480 0.001 0.000 0.271 204 M C -1.852 174.528 176.300 0.133 0.000 1.259 204 M CA -1.156 54.352 55.300 0.347 0.000 0.835 204 M CB 1.942 34.775 32.600 0.388 0.000 1.689 204 M HN -0.037 nan 8.290 nan 0.000 0.470 205 N N 0.259 118.971 118.700 0.020 0.000 2.392 205 N HA 0.297 5.037 4.740 0.001 0.000 0.283 205 N C -1.225 174.248 175.510 -0.061 0.000 1.003 205 N CA -0.014 52.935 53.050 -0.167 0.000 0.892 205 N CB 1.177 39.270 38.487 -0.656 0.000 1.193 205 N HN 0.835 nan 8.380 nan 0.000 0.487 206 E N 1.846 122.000 120.200 -0.078 0.000 2.197 206 E HA -0.178 4.173 4.350 0.001 0.000 0.184 206 E C -1.714 174.787 176.600 -0.164 0.000 1.439 206 E CA 0.104 56.425 56.400 -0.130 0.000 0.688 206 E CB -0.515 29.204 29.700 0.032 0.000 1.090 206 E HN 0.672 nan 8.360 nan 0.000 0.341 207 P HA -0.228 nan 4.420 nan 0.000 0.220 207 P C 1.040 178.157 177.300 -0.306 0.000 1.148 207 P CA 1.503 64.463 63.100 -0.234 0.000 0.803 207 P CB 0.051 31.635 31.700 -0.193 0.000 0.782 208 N N 0.473 118.882 118.700 -0.485 0.000 2.244 208 N HA -0.087 4.654 4.740 0.001 0.000 0.183 208 N C 1.680 176.999 175.510 -0.318 0.000 1.016 208 N CA 1.038 53.863 53.050 -0.375 0.000 0.866 208 N CB -1.671 36.449 38.487 -0.611 0.000 0.980 208 N HN 0.063 nan 8.380 nan 0.000 0.430 209 V N 0.957 120.629 119.914 -0.404 0.000 2.453 209 V HA -0.127 3.993 4.120 0.001 0.000 0.247 209 V C 2.650 178.432 176.094 -0.520 0.000 1.048 209 V CA 0.856 62.880 62.300 -0.460 0.000 1.049 209 V CB -0.364 31.183 31.823 -0.459 0.000 0.672 209 V HN 0.103 nan 8.190 nan 0.000 0.457 210 V N 1.084 120.684 119.914 -0.523 0.000 2.255 210 V HA -0.236 3.885 4.120 0.001 0.000 0.247 210 V C 2.607 178.614 176.094 -0.146 0.000 1.051 210 V CA 2.495 64.549 62.300 -0.410 0.000 1.018 210 V CB -1.418 30.243 31.823 -0.270 0.000 0.641 210 V HN 0.602 nan 8.190 nan 0.000 0.445 211 G N -0.720 108.044 108.800 -0.059 0.000 2.403 211 G HA2 -0.027 3.933 3.960 0.001 0.000 0.216 211 G HA3 -0.027 3.933 3.960 0.001 0.000 0.216 211 G C 1.564 176.538 174.900 0.123 0.000 1.154 211 G CA 0.831 46.015 45.100 0.141 0.000 0.784 211 G HN 0.595 nan 8.290 nan 0.000 0.538 212 G N 1.069 109.846 108.800 -0.039 0.000 2.434 212 G HA2 -0.123 3.838 3.960 0.001 0.000 0.214 212 G HA3 -0.123 3.838 3.960 0.001 0.000 0.214 212 G C 1.734 176.559 174.900 -0.125 0.000 1.202 212 G CA 0.650 45.710 45.100 -0.066 0.000 0.788 212 G HN 0.380 nan 8.290 nan 0.000 0.539 213 L N 0.863 121.911 121.223 -0.292 0.000 2.240 213 L HA 0.106 4.447 4.340 0.001 0.000 0.211 213 L C 3.077 179.782 176.870 -0.275 0.000 1.106 213 L CA 0.656 55.263 54.840 -0.389 0.000 0.793 213 L CB -0.458 41.078 42.059 -0.871 0.000 0.927 213 L HN 0.343 nan 8.230 nan 0.000 0.446 214 G N -0.794 107.849 108.800 -0.262 0.000 2.422 214 G HA2 -0.233 3.728 3.960 0.001 0.000 0.218 214 G HA3 -0.233 3.728 3.960 0.001 0.000 0.218 214 G C 1.021 175.555 174.900 -0.609 0.000 1.140 214 G CA 0.571 45.399 45.100 -0.453 0.000 0.775 214 G HN 0.386 nan 8.290 nan 0.000 0.545 215 Y N -1.603 118.697 120.300 0.001 0.000 2.527 215 Y HA 0.399 4.949 4.550 0.001 0.000 0.247 215 Y C 1.714 177.640 175.900 0.043 0.000 1.138 215 Y CA -0.290 57.849 58.100 0.065 0.000 1.228 215 Y CB 0.959 39.483 38.460 0.107 0.000 1.252 215 Y HN 0.038 nan 8.280 nan 0.000 0.531 216 V N -1.971 118.011 119.914 0.113 0.000 3.161 216 V HA 0.269 4.390 4.120 0.001 0.000 0.221 216 V C 1.626 177.730 176.094 0.017 0.000 1.296 216 V CA 0.682 63.041 62.300 0.098 0.000 1.306 216 V CB -0.184 31.736 31.823 0.161 0.000 1.171 216 V HN 0.208 nan 8.190 nan 0.000 0.513 217 G N 1.512 110.289 108.800 -0.039 0.000 3.541 217 G HA2 0.298 4.258 3.960 0.001 0.000 0.253 217 G HA3 0.298 4.258 3.960 0.001 0.000 0.253 217 G C 1.140 176.000 174.900 -0.067 0.000 1.017 217 G CA 0.606 45.665 45.100 -0.068 0.000 1.832 217 G HN 0.454 nan 8.290 nan 0.000 0.649 218 V N -1.318 118.577 119.914 -0.031 0.000 2.828 218 V HA -0.106 4.014 4.120 0.001 0.000 0.260 218 V C 2.144 178.269 176.094 0.053 0.000 1.101 218 V CA 1.355 63.658 62.300 0.004 0.000 1.123 218 V CB -0.347 31.477 31.823 0.001 0.000 0.704 218 V HN 0.420 nan 8.190 nan 0.000 0.493 219 K N 1.691 122.112 120.400 0.035 0.000 2.439 219 K HA -0.004 4.316 4.320 0.001 0.000 0.197 219 K C 2.283 178.948 176.600 0.108 0.000 1.041 219 K CA 1.252 57.578 56.287 0.065 0.000 0.970 219 K CB -0.150 32.377 32.500 0.046 0.000 0.773 219 K HN 0.789 nan 8.250 nan 0.000 0.479 220 S N -0.021 115.732 115.700 0.088 0.000 2.515 220 S HA 0.002 4.472 4.470 0.001 0.000 0.231 220 S C 1.361 176.198 174.600 0.394 0.000 0.987 220 S CA 0.583 58.870 58.200 0.144 0.000 0.936 220 S CB -0.185 62.941 63.200 -0.124 0.000 0.766 220 S HN 0.388 nan 8.310 nan 0.000 0.528 221 G N 0.521 109.545 108.800 0.374 0.000 2.198 221 G HA2 -0.218 3.743 3.960 0.001 0.000 0.257 221 G HA3 -0.218 3.743 3.960 0.001 0.000 0.257 221 G C -0.329 174.945 174.900 0.624 0.000 1.042 221 G CA -0.029 45.384 45.100 0.522 0.000 0.791 221 G HN 0.424 nan 8.290 nan 0.000 0.502 222 F N 1.369 121.287 119.950 -0.052 0.000 2.422 222 F HA 0.560 5.088 4.527 0.001 0.000 0.333 222 F C -1.285 173.802 175.800 -1.188 0.000 1.095 222 F CA -2.888 54.778 58.000 -0.557 0.000 1.038 222 F CB 1.868 40.654 39.000 -0.357 0.000 1.156 222 F HN -0.073 nan 8.300 nan 0.000 0.483 223 P HA 0.121 nan 4.420 nan 0.000 0.271 223 P C -2.409 174.328 177.300 -0.938 0.000 1.218 223 P CA -1.299 60.573 63.100 -2.046 0.000 0.780 223 P CB 1.097 31.634 31.700 -1.938 0.000 0.901 224 P HA 0.034 nan 4.420 nan 0.000 0.255 224 P C 0.860 177.990 177.300 -0.284 0.000 1.248 224 P CA 0.581 63.384 63.100 -0.495 0.000 0.807 224 P CB -0.281 31.396 31.700 -0.039 0.000 1.150 225 G N 0.201 108.782 108.800 -0.365 0.000 2.273 225 G HA2 -0.298 3.662 3.960 0.001 0.000 0.280 225 G HA3 -0.298 3.662 3.960 0.001 0.000 0.280 225 G C -0.552 174.409 174.900 0.101 0.000 1.047 225 G CA -0.017 45.075 45.100 -0.013 0.000 0.869 225 G HN 0.492 nan 8.290 nan 0.000 0.502 226 Y N -0.138 120.136 120.300 -0.044 0.000 2.342 226 Y HA 0.601 5.151 4.550 0.001 0.000 0.338 226 Y C 0.252 176.234 175.900 0.135 0.000 0.965 226 Y CA -1.731 56.429 58.100 0.100 0.000 1.159 226 Y CB 1.029 39.624 38.460 0.226 0.000 1.157 226 Y HN 0.228 nan 8.280 nan 0.000 0.486 227 L N 6.368 127.416 121.223 -0.292 0.000 2.456 227 L HA 0.406 4.746 4.340 0.001 0.000 0.277 227 L C -0.522 176.224 176.870 -0.207 0.000 1.124 227 L CA 0.534 55.253 54.840 -0.202 0.000 0.880 227 L CB 0.030 41.944 42.059 -0.242 0.000 1.192 227 L HN 0.626 nan 8.230 nan 0.000 0.463 228 S N 4.170 119.884 115.700 0.024 0.000 2.584 228 S HA 0.309 4.779 4.470 0.001 0.000 0.282 228 S C 0.632 175.320 174.600 0.147 0.000 1.138 228 S CA -0.606 57.630 58.200 0.060 0.000 0.987 228 S CB 0.035 63.412 63.200 0.295 0.000 1.137 228 S HN 0.387 nan 8.310 nan 0.000 0.457 229 F N 2.823 122.781 119.950 0.013 0.000 2.095 229 F HA 0.021 4.549 4.527 0.001 0.000 0.298 229 F C 2.468 178.238 175.800 -0.049 0.000 1.104 229 F CA 1.797 59.782 58.000 -0.025 0.000 1.232 229 F CB -0.640 38.330 39.000 -0.050 0.000 0.987 229 F HN 0.807 nan 8.300 nan 0.000 0.475 230 E N 0.412 120.706 120.200 0.157 0.000 2.058 230 E HA -0.201 4.149 4.350 0.001 0.000 0.194 230 E C 2.270 178.842 176.600 -0.046 0.000 0.997 230 E CA 1.147 57.562 56.400 0.026 0.000 0.801 230 E CB -0.264 29.434 29.700 -0.003 0.000 0.746 230 E HN 0.349 nan 8.360 nan 0.000 0.450 231 L N 0.391 121.582 121.223 -0.052 0.000 2.275 231 L HA -0.106 4.235 4.340 0.001 0.000 0.215 231 L C 2.647 179.303 176.870 -0.357 0.000 1.119 231 L CA 0.614 55.329 54.840 -0.208 0.000 0.790 231 L CB -0.294 41.663 42.059 -0.170 0.000 0.919 231 L HN 0.179 nan 8.230 nan 0.000 0.443 232 S N 0.070 115.682 115.700 -0.146 0.000 2.368 232 S HA -0.123 4.347 4.470 0.001 0.000 0.224 232 S C 2.117 176.671 174.600 -0.076 0.000 1.029 232 S CA 0.976 59.123 58.200 -0.087 0.000 0.988 232 S CB 0.037 63.306 63.200 0.116 0.000 0.838 232 S HN 0.368 nan 8.310 nan 0.000 0.462 233 R N 0.535 120.995 120.500 -0.066 0.000 2.081 233 R HA 0.005 4.345 4.340 0.001 0.000 0.235 233 R C 2.711 179.005 176.300 -0.010 0.000 1.131 233 R CA 1.317 57.384 56.100 -0.055 0.000 0.960 233 R CB -0.389 29.855 30.300 -0.093 0.000 0.856 233 R HN 0.354 nan 8.270 nan 0.000 0.436 234 R N 0.862 121.318 120.500 -0.072 0.000 2.081 234 R HA -0.127 4.214 4.340 0.001 0.000 0.235 234 R C 2.225 178.538 176.300 0.021 0.000 1.131 234 R CA 1.541 57.616 56.100 -0.042 0.000 0.960 234 R CB -0.233 29.997 30.300 -0.117 0.000 0.856 234 R HN 0.239 nan 8.270 nan 0.000 0.436 235 A N 0.833 123.598 122.820 -0.091 0.000 1.877 235 A HA -0.176 4.145 4.320 0.001 0.000 0.216 235 A C 2.132 179.745 177.584 0.048 0.000 1.186 235 A CA 1.459 53.479 52.037 -0.028 0.000 0.620 235 A CB -0.368 18.529 19.000 -0.172 0.000 0.822 235 A HN 0.254 nan 8.150 nan 0.000 0.443 236 M N -2.033 117.621 119.600 0.089 0.000 2.159 236 M HA -0.093 4.387 4.480 0.001 0.000 0.263 236 M C 2.094 178.521 176.300 0.212 0.000 1.063 236 M CA 1.229 56.649 55.300 0.199 0.000 1.110 236 M CB -1.455 31.377 32.600 0.387 0.000 1.374 236 M HN 0.621 nan 8.290 nan 0.000 0.411 237 Y N 1.834 122.183 120.300 0.082 0.000 2.145 237 Y HA -0.220 4.330 4.550 0.001 0.000 0.286 237 Y C 2.190 178.107 175.900 0.030 0.000 1.145 237 Y CA 1.764 59.899 58.100 0.057 0.000 1.148 237 Y CB -0.321 38.157 38.460 0.031 0.000 0.981 237 Y HN 0.290 nan 8.280 nan 0.000 0.507 238 N N 0.435 119.237 118.700 0.170 0.000 2.188 238 N HA -0.197 4.544 4.740 0.001 0.000 0.184 238 N C 2.030 177.549 175.510 0.015 0.000 1.018 238 N CA 1.609 54.741 53.050 0.138 0.000 0.858 238 N CB -0.498 38.152 38.487 0.271 0.000 0.989 238 N HN 0.482 nan 8.380 nan 0.000 0.426 239 I N 0.763 121.239 120.570 -0.156 0.000 2.394 239 I HA -0.142 4.029 4.170 0.001 0.000 0.251 239 I C 1.824 177.797 176.117 -0.241 0.000 1.136 239 I CA 0.647 61.652 61.300 -0.491 0.000 1.425 239 I CB 0.109 37.693 38.000 -0.693 0.000 1.079 239 I HN 0.048 nan 8.210 nan 0.000 0.425 240 I N 0.170 120.621 120.570 -0.198 0.000 2.252 240 I HA -0.306 3.865 4.170 0.001 0.000 0.245 240 I C 2.409 178.394 176.117 -0.220 0.000 1.102 240 I CA 1.284 62.399 61.300 -0.307 0.000 1.385 240 I CB -0.303 37.418 38.000 -0.466 0.000 1.064 240 I HN 0.306 nan 8.210 nan 0.000 0.414 241 Q N 0.572 120.241 119.800 -0.217 0.000 2.084 241 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 241 Q C 2.476 178.478 176.000 0.004 0.000 0.978 241 Q CA 1.656 57.379 55.803 -0.133 0.000 0.844 241 Q CB -0.292 28.384 28.738 -0.103 0.000 0.898 241 Q HN 0.552 nan 8.270 nan 0.000 0.426 242 A N 0.968 123.837 122.820 0.082 0.000 1.892 242 A HA -0.296 4.025 4.320 0.001 0.000 0.218 242 A C 1.843 179.594 177.584 0.278 0.000 1.188 242 A CA 2.108 54.302 52.037 0.262 0.000 0.631 242 A CB -0.934 18.236 19.000 0.284 0.000 0.822 242 A HN 0.522 nan 8.150 nan 0.000 0.447 243 H N 0.025 119.143 119.070 0.080 0.000 2.290 243 H HA -0.013 4.544 4.556 0.001 0.000 0.298 243 H C 2.165 177.522 175.328 0.049 0.000 1.087 243 H CA 2.360 58.464 56.048 0.094 0.000 1.291 243 H CB -0.472 29.264 29.762 -0.043 0.000 1.369 243 H HN 0.370 nan 8.280 nan 0.000 0.492 244 A N 0.482 123.163 122.820 -0.232 0.000 1.883 244 A HA -0.203 4.117 4.320 0.001 0.000 0.217 244 A C 2.450 179.945 177.584 -0.149 0.000 1.186 244 A CA 1.972 53.847 52.037 -0.270 0.000 0.624 244 A CB -0.547 18.349 19.000 -0.173 0.000 0.822 244 A HN 0.401 nan 8.150 nan 0.000 0.444 245 R N -0.402 120.055 120.500 -0.072 0.000 2.092 245 R HA 0.060 4.400 4.340 0.001 0.000 0.231 245 R C 2.284 178.523 176.300 -0.101 0.000 1.119 245 R CA 1.423 57.493 56.100 -0.050 0.000 0.970 245 R CB -0.760 29.542 30.300 0.003 0.000 0.864 245 R HN 0.501 nan 8.270 nan 0.000 0.440 246 A N -0.929 121.825 122.820 -0.110 0.000 1.968 246 A HA -0.172 4.148 4.320 0.001 0.000 0.217 246 A C 1.998 179.449 177.584 -0.221 0.000 1.169 246 A CA 1.159 53.053 52.037 -0.238 0.000 0.638 246 A CB -0.715 18.139 19.000 -0.244 0.000 0.812 246 A HN 0.476 nan 8.150 nan 0.000 0.446 247 Y N 1.194 121.286 120.300 -0.346 0.000 2.181 247 Y HA -0.208 4.343 4.550 0.001 0.000 0.288 247 Y C 1.727 177.491 175.900 -0.226 0.000 1.146 247 Y CA 2.066 59.976 58.100 -0.317 0.000 1.164 247 Y CB -0.100 38.111 38.460 -0.415 0.000 0.982 247 Y HN 0.338 nan 8.280 nan 0.000 0.515 248 D N -0.457 119.960 120.400 0.029 0.000 2.144 248 D HA -0.095 4.545 4.640 0.001 0.000 0.200 248 D C 2.359 178.573 176.300 -0.144 0.000 0.978 248 D CA 1.387 55.372 54.000 -0.026 0.000 0.833 248 D CB -0.870 39.929 40.800 -0.002 0.000 0.961 248 D HN 0.523 nan 8.370 nan 0.000 0.470 249 G N 1.017 109.707 108.800 -0.185 0.000 2.421 249 G HA2 -0.214 3.747 3.960 0.001 0.000 0.216 249 G HA3 -0.214 3.747 3.960 0.001 0.000 0.216 249 G C 1.793 176.534 174.900 -0.264 0.000 1.171 249 G CA 0.369 45.333 45.100 -0.226 0.000 0.775 249 G HN 0.257 nan 8.290 nan 0.000 0.543 250 I N 0.366 120.732 120.570 -0.341 0.000 2.179 250 I HA -0.133 4.037 4.170 0.001 0.000 0.242 250 I C 2.565 178.479 176.117 -0.338 0.000 1.088 250 I CA 0.989 62.037 61.300 -0.421 0.000 1.357 250 I CB -0.120 37.526 38.000 -0.589 0.000 1.051 250 I HN 0.008 nan 8.210 nan 0.000 0.409 251 K N 0.547 120.742 120.400 -0.341 0.000 2.360 251 K HA -0.059 4.261 4.320 0.001 0.000 0.201 251 K C 2.093 178.605 176.600 -0.148 0.000 1.046 251 K CA 0.856 56.990 56.287 -0.255 0.000 0.945 251 K CB -0.326 32.001 32.500 -0.288 0.000 0.750 251 K HN 0.235 nan 8.250 nan 0.000 0.464 252 S N 0.269 115.880 115.700 -0.147 0.000 2.461 252 S HA -0.020 4.450 4.470 0.001 0.000 0.228 252 S C 1.751 176.302 174.600 -0.081 0.000 1.005 252 S CA 0.537 58.673 58.200 -0.106 0.000 0.942 252 S CB 0.275 63.401 63.200 -0.123 0.000 0.776 252 S HN 0.019 nan 8.310 nan 0.000 0.514 253 V N -0.497 119.364 119.914 -0.088 0.000 3.604 253 V HA 0.324 4.445 4.120 0.001 0.000 0.277 253 V C 0.442 176.539 176.094 0.006 0.000 1.399 253 V CA 0.125 62.415 62.300 -0.016 0.000 1.034 253 V CB 0.918 32.747 31.823 0.009 0.000 0.824 253 V HN 0.310 nan 8.190 nan 0.000 0.439 254 S N -0.571 115.106 115.700 -0.038 0.000 2.618 254 S HA 0.506 4.976 4.470 0.001 0.000 0.277 254 S C -0.069 174.535 174.600 0.006 0.000 1.138 254 S CA -0.588 57.623 58.200 0.019 0.000 0.844 254 S CB 2.202 65.458 63.200 0.094 0.000 1.127 254 S HN 0.205 nan 8.310 nan 0.000 0.474 255 K N 0.699 121.127 120.400 0.047 0.000 2.373 255 K HA 0.245 4.565 4.320 0.001 0.000 0.200 255 K C -0.046 176.598 176.600 0.074 0.000 1.054 255 K CA -0.333 55.979 56.287 0.041 0.000 1.065 255 K CB 0.269 32.793 32.500 0.040 0.000 0.886 255 K HN 0.336 nan 8.250 nan 0.000 0.546 256 K N 1.868 122.339 120.400 0.119 0.000 2.336 256 K HA 0.119 4.439 4.320 0.001 0.000 0.262 256 K C -2.572 174.148 176.600 0.199 0.000 0.992 256 K CA -1.681 54.692 56.287 0.143 0.000 0.927 256 K CB -0.314 32.262 32.500 0.128 0.000 0.956 256 K HN -0.148 nan 8.250 nan 0.000 0.495 257 P HA 0.074 nan 4.420 nan 0.000 0.271 257 P C -0.807 176.782 177.300 0.482 0.000 1.216 257 P CA -0.154 63.172 63.100 0.377 0.000 0.776 257 P CB 0.581 32.556 31.700 0.458 0.000 0.881 258 V N 3.348 123.504 119.914 0.404 0.000 2.409 258 V HA 0.662 4.783 4.120 0.001 0.000 0.290 258 V C 0.655 176.819 176.094 0.117 0.000 1.017 258 V CA -0.152 62.317 62.300 0.281 0.000 0.841 258 V CB 1.401 33.178 31.823 -0.076 0.000 1.003 258 V HN 0.775 nan 8.190 nan 0.000 0.426 259 G N 3.680 112.254 108.800 -0.375 0.000 3.217 259 G HA2 0.882 4.843 3.960 0.001 0.000 0.213 259 G HA3 0.882 4.843 3.960 0.001 0.000 0.213 259 G C -1.279 173.260 174.900 -0.602 0.000 1.294 259 G CA -0.632 43.827 45.100 -1.068 0.000 0.987 259 G HN 0.599 nan 8.290 nan 0.000 0.584 260 I N -0.860 119.288 120.570 -0.704 0.000 2.913 260 I HA 0.519 4.689 4.170 0.001 0.000 0.302 260 I C -1.407 174.548 176.117 -0.270 0.000 1.246 260 I CA -1.153 59.950 61.300 -0.330 0.000 1.010 260 I CB 2.529 40.342 38.000 -0.313 0.000 1.259 260 I HN 0.301 nan 8.210 nan 0.000 0.434 261 I N 5.958 126.479 120.570 -0.082 0.000 2.362 261 I HA 0.319 4.490 4.170 0.001 0.000 0.289 261 I C -1.421 174.755 176.117 0.097 0.000 0.994 261 I CA -0.570 60.747 61.300 0.029 0.000 1.158 261 I CB 1.536 39.566 38.000 0.050 0.000 1.315 261 I HN 0.416 nan 8.210 nan 0.000 0.451 262 Y N 4.758 125.062 120.300 0.006 0.000 2.468 262 Y HA 0.689 5.240 4.550 0.000 0.000 0.342 262 Y C 0.029 175.952 175.900 0.037 0.000 1.021 262 Y CA -0.923 57.177 58.100 0.000 0.000 1.079 262 Y CB 1.968 40.539 38.460 0.186 0.000 1.226 262 Y HN 0.581 nan 8.280 nan 0.000 0.460 263 A N 5.423 128.045 122.820 -0.330 0.000 2.347 263 A HA 0.391 4.711 4.320 0.001 0.000 0.287 263 A C -0.636 176.930 177.584 -0.030 0.000 1.199 263 A CA -0.450 51.483 52.037 -0.174 0.000 0.851 263 A CB -0.400 18.427 19.000 -0.288 0.000 1.118 263 A HN 0.779 nan 8.150 nan 0.000 0.525 264 N N 0.582 119.368 118.700 0.143 0.000 2.432 264 N HA 0.666 5.406 4.740 0.001 0.000 0.292 264 N C -0.817 174.764 175.510 0.118 0.000 1.193 264 N CA -0.305 52.875 53.050 0.216 0.000 0.878 264 N CB 1.969 40.660 38.487 0.340 0.000 1.252 264 N HN 0.558 nan 8.380 nan 0.000 0.520 265 S N -0.808 114.911 115.700 0.031 0.000 2.537 265 S HA 0.324 4.795 4.470 0.001 0.000 0.270 265 S C -1.361 173.086 174.600 -0.255 0.000 1.142 265 S CA -0.618 57.486 58.200 -0.161 0.000 0.870 265 S CB 1.150 64.064 63.200 -0.476 0.000 1.112 265 S HN 0.399 nan 8.310 nan 0.000 0.466 266 S N 3.290 118.958 115.700 -0.053 0.000 2.410 266 S HA 0.536 5.006 4.470 0.001 0.000 0.304 266 S C -1.016 173.417 174.600 -0.277 0.000 1.095 266 S CA -0.478 57.692 58.200 -0.049 0.000 1.089 266 S CB -0.630 62.693 63.200 0.206 0.000 0.968 266 S HN 0.457 nan 8.310 nan 0.000 0.480 267 F N 4.565 124.494 119.950 -0.034 0.000 2.466 267 F HA 0.338 4.865 4.527 0.001 0.000 0.363 267 F C 1.107 176.851 175.800 -0.092 0.000 1.109 267 F CA -0.171 57.773 58.000 -0.093 0.000 1.161 267 F CB 0.641 39.551 39.000 -0.150 0.000 1.117 267 F HN 0.386 nan 8.300 nan 0.000 0.539 268 Q N 5.685 125.472 119.800 -0.021 0.000 2.274 268 Q HA 0.362 4.702 4.340 0.001 0.000 0.260 268 Q C -2.544 173.413 176.000 -0.073 0.000 0.974 268 Q CA -2.286 53.478 55.803 -0.066 0.000 0.876 268 Q CB 2.045 30.659 28.738 -0.207 0.000 1.297 268 Q HN 0.281 nan 8.270 nan 0.000 0.446 269 P HA 0.037 nan 4.420 nan 0.000 0.282 269 P C 0.532 177.782 177.300 -0.083 0.000 1.262 269 P CA -0.360 62.712 63.100 -0.048 0.000 0.773 269 P CB 1.073 32.763 31.700 -0.016 0.000 0.879 270 L N 3.737 124.903 121.223 -0.094 0.000 2.046 270 L HA -0.015 4.325 4.340 0.001 0.000 0.208 270 L C 0.625 177.465 176.870 -0.050 0.000 1.077 270 L CA 2.369 57.139 54.840 -0.117 0.000 0.747 270 L CB -0.751 41.264 42.059 -0.073 0.000 0.896 270 L HN 0.353 nan 8.230 nan 0.000 0.432 271 T N -1.372 113.170 114.554 -0.020 0.000 2.907 271 T HA 0.250 4.601 4.350 0.001 0.000 0.290 271 T C 0.205 174.908 174.700 0.004 0.000 1.066 271 T CA 0.174 62.275 62.100 0.001 0.000 1.012 271 T CB 1.637 70.512 68.868 0.011 0.000 1.184 271 T HN 0.260 nan 8.240 nan 0.000 0.522 272 D N 0.111 120.519 120.400 0.013 0.000 2.378 272 D HA -0.086 4.554 4.640 0.001 0.000 0.222 272 D C 1.029 177.337 176.300 0.013 0.000 0.980 272 D CA 0.573 54.582 54.000 0.015 0.000 0.907 272 D CB -0.142 40.669 40.800 0.019 0.000 0.899 272 D HN 0.623 nan 8.370 nan 0.000 0.527 273 K N -0.246 120.162 120.400 0.012 0.000 2.576 273 K HA 0.179 4.499 4.320 0.001 0.000 0.209 273 K C -0.139 176.467 176.600 0.010 0.000 1.049 273 K CA -0.356 55.938 56.287 0.012 0.000 1.140 273 K CB 0.371 32.879 32.500 0.014 0.000 0.871 273 K HN -0.119 nan 8.250 nan 0.000 0.479 274 D N 0.872 121.276 120.400 0.006 0.000 2.535 274 D HA 0.124 4.765 4.640 0.001 0.000 0.229 274 D C 1.121 177.416 176.300 -0.009 0.000 1.238 274 D CA -0.025 53.976 54.000 0.002 0.000 0.824 274 D CB 0.603 41.403 40.800 -0.001 0.000 1.045 274 D HN 0.154 nan 8.370 nan 0.000 0.500 275 M N 0.344 119.942 119.600 -0.004 0.000 2.149 275 M HA -0.122 4.358 4.480 0.001 0.000 0.261 275 M C 1.916 178.204 176.300 -0.020 0.000 1.064 275 M CA 1.311 56.608 55.300 -0.006 0.000 1.102 275 M CB -0.671 31.932 32.600 0.004 0.000 1.369 275 M HN 0.108 nan 8.290 nan 0.000 0.408 276 E N -0.142 120.049 120.200 -0.015 0.000 2.208 276 E HA -0.060 4.291 4.350 0.001 0.000 0.193 276 E C 1.957 178.527 176.600 -0.051 0.000 0.988 276 E CA 0.840 57.228 56.400 -0.021 0.000 0.828 276 E CB 0.185 29.884 29.700 -0.002 0.000 0.763 276 E HN 0.458 nan 8.360 nan 0.000 0.478 277 A N 0.348 123.136 122.820 -0.054 0.000 1.930 277 A HA -0.110 4.210 4.320 0.001 0.000 0.217 277 A C 2.331 179.727 177.584 -0.313 0.000 1.175 277 A CA 0.938 52.908 52.037 -0.112 0.000 0.627 277 A CB -0.457 18.533 19.000 -0.017 0.000 0.815 277 A HN 0.166 nan 8.150 nan 0.000 0.443 278 V N 0.224 120.023 119.914 -0.191 0.000 2.261 278 V HA -0.300 3.820 4.120 0.001 0.000 0.246 278 V C 2.426 178.363 176.094 -0.262 0.000 1.047 278 V CA 2.393 64.578 62.300 -0.192 0.000 1.015 278 V CB -0.916 30.876 31.823 -0.051 0.000 0.642 278 V HN 0.649 nan 8.190 nan 0.000 0.446 279 E N -0.382 119.727 120.200 -0.151 0.000 2.085 279 E HA -0.269 4.082 4.350 0.001 0.000 0.194 279 E C 2.223 178.722 176.600 -0.168 0.000 0.994 279 E CA 1.724 58.067 56.400 -0.095 0.000 0.801 279 E CB -0.264 29.424 29.700 -0.019 0.000 0.743 279 E HN 0.552 nan 8.360 nan 0.000 0.453 280 M N 0.363 119.826 119.600 -0.228 0.000 2.117 280 M HA -0.169 4.311 4.480 0.001 0.000 0.262 280 M C 2.537 178.567 176.300 -0.451 0.000 1.065 280 M CA 1.541 56.713 55.300 -0.214 0.000 1.114 280 M CB -0.288 32.263 32.600 -0.082 0.000 1.361 280 M HN 0.133 nan 8.290 nan 0.000 0.408 281 A N 0.360 122.590 122.820 -0.983 0.000 1.902 281 A HA -0.177 4.144 4.320 0.001 0.000 0.217 281 A C 1.933 178.886 177.584 -1.053 0.000 1.181 281 A CA 1.746 53.024 52.037 -1.265 0.000 0.623 281 A CB -0.707 17.306 19.000 -1.645 0.000 0.818 281 A HN 0.545 nan 8.150 nan 0.000 0.443 282 E N -0.049 119.649 120.200 -0.837 0.000 2.110 282 E HA -0.172 4.178 4.350 0.001 0.000 0.193 282 E C 1.687 177.968 176.600 -0.531 0.000 0.988 282 E CA 1.061 57.037 56.400 -0.706 0.000 0.804 282 E CB -0.191 29.185 29.700 -0.540 0.000 0.745 282 E HN 0.558 nan 8.360 nan 0.000 0.458 283 N N 1.151 119.739 118.700 -0.188 0.000 2.106 283 N HA -0.121 4.619 4.740 0.001 0.000 0.188 283 N C 1.292 176.922 175.510 0.201 0.000 1.029 283 N CA 1.097 54.221 53.050 0.124 0.000 0.848 283 N CB -0.192 38.391 38.487 0.160 0.000 1.007 283 N HN 0.151 nan 8.380 nan 0.000 0.423 284 D N 0.385 120.815 120.400 0.050 0.000 2.269 284 D HA -0.008 4.632 4.640 0.001 0.000 0.208 284 D C 1.060 177.490 176.300 0.216 0.000 0.963 284 D CA 0.698 54.730 54.000 0.053 0.000 0.864 284 D CB -0.090 40.711 40.800 0.002 0.000 0.936 284 D HN 0.315 nan 8.370 nan 0.000 0.505 285 N N -0.432 118.372 118.700 0.173 0.000 2.294 285 N HA 0.094 4.834 4.740 0.001 0.000 0.186 285 N C 1.451 177.197 175.510 0.392 0.000 1.107 285 N CA 0.005 53.242 53.050 0.313 0.000 0.884 285 N CB 1.629 40.228 38.487 0.186 0.000 1.030 285 N HN 0.094 nan 8.380 nan 0.000 0.482 286 R N -0.313 120.263 120.500 0.128 0.000 3.199 286 R HA 0.164 4.505 4.340 0.001 0.000 0.158 286 R C 1.449 177.811 176.300 0.105 0.000 1.302 286 R CA -0.089 55.964 56.100 -0.079 0.000 1.139 286 R CB -0.191 29.686 30.300 -0.706 0.000 1.304 286 R HN 0.028 nan 8.270 nan 0.000 0.483 287 W N 2.042 123.435 121.300 0.156 0.000 2.321 287 W HA -0.292 4.368 4.660 0.000 0.000 0.306 287 W C 2.152 178.778 176.519 0.178 0.000 1.217 287 W CA 0.628 58.084 57.345 0.184 0.000 1.257 287 W CB -0.508 29.015 29.460 0.105 0.000 1.145 287 W HN 0.460 nan 8.180 nan 0.000 0.509 288 W N 0.366 121.878 121.300 0.353 0.000 2.335 288 W HA -0.278 4.383 4.660 0.001 0.000 0.311 288 W C 1.922 178.546 176.519 0.175 0.000 1.213 288 W CA 1.195 58.671 57.345 0.218 0.000 1.274 288 W CB -1.977 27.573 29.460 0.150 0.000 1.148 288 W HN 0.023 nan 8.180 nan 0.000 0.498 289 F N 0.922 120.009 119.950 -1.438 0.000 2.113 289 F HA -0.090 4.437 4.527 0.000 0.000 0.297 289 F C 2.282 177.568 175.800 -0.857 0.000 1.103 289 F CA 2.080 59.149 58.000 -1.551 0.000 1.248 289 F CB -0.993 37.050 39.000 -1.595 0.000 0.999 289 F HN -0.268 nan 8.300 nan 0.000 0.475 290 F N 0.576 120.385 119.950 -0.235 0.000 2.259 290 F HA -0.120 4.407 4.527 0.000 0.000 0.298 290 F C 2.179 177.809 175.800 -0.284 0.000 1.088 290 F CA 1.177 59.023 58.000 -0.257 0.000 1.358 290 F CB -0.683 38.247 39.000 -0.116 0.000 1.040 290 F HN -0.064 nan 8.300 nan 0.000 0.505 291 D N 0.081 120.536 120.400 0.093 0.000 2.264 291 D HA -0.105 4.535 4.640 0.001 0.000 0.208 291 D C 2.261 178.508 176.300 -0.090 0.000 0.966 291 D CA 1.112 55.157 54.000 0.076 0.000 0.864 291 D CB -0.321 40.574 40.800 0.159 0.000 0.933 291 D HN 0.251 nan 8.370 nan 0.000 0.499 292 A N 1.100 123.785 122.820 -0.225 0.000 1.854 292 A HA -0.083 4.237 4.320 0.001 0.000 0.214 292 A C 2.220 179.596 177.584 -0.348 0.000 1.192 292 A CA 1.078 52.941 52.037 -0.290 0.000 0.611 292 A CB -0.668 18.076 19.000 -0.426 0.000 0.832 292 A HN 0.374 nan 8.150 nan 0.000 0.442 293 I N -3.689 116.582 120.570 -0.498 0.000 3.251 293 I HA 0.133 4.303 4.170 0.001 0.000 0.277 293 I C 1.657 177.586 176.117 -0.314 0.000 1.268 293 I CA 0.797 61.849 61.300 -0.414 0.000 1.449 293 I CB -0.082 37.603 38.000 -0.525 0.000 1.083 293 I HN 0.224 nan 8.210 nan 0.000 0.464 294 I N 0.521 120.917 120.570 -0.290 0.000 3.132 294 I HA 0.090 4.260 4.170 0.001 0.000 0.255 294 I C 2.237 178.268 176.117 -0.144 0.000 1.118 294 I CA 0.070 61.228 61.300 -0.237 0.000 1.463 294 I CB -0.156 37.639 38.000 -0.342 0.000 1.356 294 I HN 0.010 nan 8.210 nan 0.000 0.463 295 R N 1.244 121.684 120.500 -0.100 0.000 2.276 295 R HA 0.179 4.519 4.340 0.001 0.000 0.196 295 R C 1.387 177.648 176.300 -0.065 0.000 0.961 295 R CA 0.869 56.941 56.100 -0.047 0.000 1.024 295 R CB -0.156 30.147 30.300 0.005 0.000 0.940 295 R HN 0.541 nan 8.270 nan 0.000 0.480 296 G N 1.747 110.485 108.800 -0.104 0.000 2.184 296 G HA2 -0.314 3.647 3.960 0.001 0.000 0.264 296 G HA3 -0.314 3.647 3.960 0.001 0.000 0.264 296 G C -0.281 174.581 174.900 -0.063 0.000 0.975 296 G CA 0.322 45.363 45.100 -0.098 0.000 0.642 296 G HN 0.448 nan 8.290 nan 0.000 0.536 297 E N 0.071 120.246 120.200 -0.042 0.000 2.180 297 E HA 0.646 4.996 4.350 0.001 0.000 0.283 297 E C 0.178 176.787 176.600 0.016 0.000 1.061 297 E CA -0.098 56.302 56.400 -0.001 0.000 0.861 297 E CB 1.584 31.297 29.700 0.021 0.000 1.056 297 E HN 0.495 nan 8.360 nan 0.000 0.407 298 I N 1.478 122.074 120.570 0.043 0.000 3.191 298 I HA 0.361 4.532 4.170 0.001 0.000 0.313 298 I C -1.180 175.016 176.117 0.131 0.000 1.193 298 I CA -0.620 60.740 61.300 0.099 0.000 0.968 298 I CB 2.765 40.807 38.000 0.070 0.000 1.262 298 I HN 0.388 nan 8.210 nan 0.000 0.456 299 T N 3.485 118.147 114.554 0.179 0.000 2.930 299 T HA 0.534 4.884 4.350 0.001 0.000 0.313 299 T C -1.070 173.690 174.700 0.100 0.000 1.019 299 T CA -0.693 61.474 62.100 0.112 0.000 1.004 299 T CB 0.114 69.021 68.868 0.064 0.000 0.987 299 T HN 0.616 nan 8.240 nan 0.000 0.456 300 R N 3.694 124.222 120.500 0.046 0.000 2.265 300 R HA 0.813 5.154 4.340 0.001 0.000 0.319 300 R C 1.251 177.433 176.300 -0.196 0.000 1.006 300 R CA 0.311 56.288 56.100 -0.205 0.000 0.880 300 R CB 0.721 30.878 30.300 -0.237 0.000 1.077 300 R HN 0.827 nan 8.270 nan 0.000 0.454 301 G N 2.917 111.565 108.800 -0.253 0.000 2.720 301 G HA2 -0.422 3.538 3.960 0.001 0.000 0.293 301 G HA3 -0.422 3.538 3.960 0.001 0.000 0.293 301 G C 0.334 175.164 174.900 -0.116 0.000 1.256 301 G CA 0.625 45.622 45.100 -0.171 0.000 0.974 301 G HN 0.639 nan 8.290 nan 0.000 0.551 302 N N 1.119 119.769 118.700 -0.083 0.000 2.116 302 N HA 0.253 4.993 4.740 0.001 0.000 0.230 302 N C -0.377 175.109 175.510 -0.041 0.000 1.326 302 N CA 0.122 53.136 53.050 -0.061 0.000 0.867 302 N CB 1.129 39.582 38.487 -0.056 0.000 1.174 302 N HN 0.538 nan 8.380 nan 0.000 0.506 303 E N 1.176 121.354 120.200 -0.037 0.000 2.194 303 E HA 0.104 4.455 4.350 0.001 0.000 0.284 303 E C -0.417 176.184 176.600 0.002 0.000 1.035 303 E CA -0.429 55.960 56.400 -0.018 0.000 0.836 303 E CB 0.827 30.515 29.700 -0.019 0.000 1.070 303 E HN -0.139 nan 8.360 nan 0.000 0.401 304 K N 5.023 125.428 120.400 0.007 0.000 2.316 304 K HA 0.198 4.518 4.320 0.001 0.000 0.289 304 K C -0.788 175.825 176.600 0.022 0.000 1.070 304 K CA -0.110 56.190 56.287 0.023 0.000 0.928 304 K CB 0.056 32.567 32.500 0.019 0.000 1.039 304 K HN 0.349 nan 8.250 nan 0.000 0.480 305 I N 3.061 123.652 120.570 0.035 0.000 3.445 305 I HA 0.456 4.627 4.170 0.001 0.000 0.303 305 I C -0.611 175.520 176.117 0.023 0.000 1.129 305 I CA -1.291 60.026 61.300 0.028 0.000 0.989 305 I CB 1.816 39.840 38.000 0.040 0.000 1.314 305 I HN 0.198 nan 8.210 nan 0.000 0.488 306 V N 2.585 122.507 119.914 0.012 0.000 2.498 306 V HA 0.353 4.473 4.120 0.001 0.000 0.283 306 V C -0.269 175.820 176.094 -0.009 0.000 1.015 306 V CA -0.661 61.637 62.300 -0.002 0.000 0.867 306 V CB 1.489 33.308 31.823 -0.007 0.000 1.025 306 V HN 0.582 nan 8.190 nan 0.000 0.441 307 R N 2.587 123.076 120.500 -0.018 0.000 2.234 307 R HA 0.316 4.656 4.340 0.001 0.000 0.324 307 R C 0.388 176.662 176.300 -0.043 0.000 1.054 307 R CA -0.515 55.571 56.100 -0.025 0.000 0.912 307 R CB 1.170 31.452 30.300 -0.030 0.000 1.030 307 R HN 0.585 nan 8.270 nan 0.000 0.455 308 D N 1.933 122.313 120.400 -0.033 0.000 2.264 308 D HA -0.165 4.475 4.640 0.001 0.000 0.208 308 D C 1.065 177.335 176.300 -0.050 0.000 0.966 308 D CA 1.265 55.242 54.000 -0.038 0.000 0.864 308 D CB 0.164 40.949 40.800 -0.025 0.000 0.933 308 D HN 0.642 nan 8.370 nan 0.000 0.499 309 D N 0.302 120.674 120.400 -0.047 0.000 2.371 309 D HA -0.102 4.538 4.640 0.001 0.000 0.221 309 D C 1.917 178.162 176.300 -0.092 0.000 0.986 309 D CA 0.261 54.228 54.000 -0.054 0.000 0.899 309 D CB -0.098 40.682 40.800 -0.034 0.000 0.902 309 D HN 0.286 nan 8.370 nan 0.000 0.530 310 L N -0.531 120.625 121.223 -0.111 0.000 2.537 310 L HA 0.141 4.482 4.340 0.001 0.000 0.224 310 L C 1.339 178.102 176.870 -0.179 0.000 1.065 310 L CA -0.335 54.409 54.840 -0.159 0.000 0.860 310 L CB 0.078 42.034 42.059 -0.171 0.000 1.086 310 L HN -0.186 nan 8.230 nan 0.000 0.482 311 K N 1.081 121.399 120.400 -0.137 0.000 2.489 311 K HA 0.113 4.433 4.320 0.001 0.000 0.278 311 K C 1.004 177.509 176.600 -0.159 0.000 1.000 311 K CA 0.934 57.143 56.287 -0.130 0.000 1.012 311 K CB 0.364 32.813 32.500 -0.084 0.000 0.903 311 K HN 0.220 nan 8.250 nan 0.000 0.485 312 G N 3.360 112.058 108.800 -0.170 0.000 2.203 312 G HA2 -0.281 3.680 3.960 0.001 0.000 0.263 312 G HA3 -0.281 3.680 3.960 0.001 0.000 0.263 312 G C -0.007 174.681 174.900 -0.355 0.000 1.012 312 G CA 0.368 45.357 45.100 -0.185 0.000 0.749 312 G HN 0.603 nan 8.290 nan 0.000 0.512 313 R N -0.735 119.460 120.500 -0.509 0.000 4.518 313 R HA 0.683 5.023 4.340 0.001 0.000 0.243 313 R C -0.237 175.527 176.300 -0.893 0.000 1.720 313 R CA -0.191 55.243 56.100 -1.109 0.000 1.526 313 R CB 0.012 29.825 30.300 -0.812 0.000 1.425 313 R HN 0.430 nan 8.270 nan 0.000 0.787 314 L N -0.496 120.414 121.223 -0.521 0.000 2.705 314 L HA 0.291 4.631 4.340 0.001 0.000 0.260 314 L C -0.711 176.196 176.870 0.062 0.000 0.921 314 L CA 0.017 54.800 54.840 -0.095 0.000 0.948 314 L CB 2.155 44.136 42.059 -0.130 0.000 1.427 314 L HN 0.135 nan 8.230 nan 0.000 0.432 315 D N 3.183 123.689 120.400 0.178 0.000 2.422 315 D HA 0.162 4.802 4.640 0.001 0.000 0.218 315 D C -0.499 175.870 176.300 0.115 0.000 1.047 315 D CA 0.889 55.031 54.000 0.237 0.000 0.885 315 D CB 0.560 41.606 40.800 0.411 0.000 1.035 315 D HN 0.494 nan 8.370 nan 0.000 0.502 316 W N 0.331 121.521 121.300 -0.184 0.000 3.066 316 W HA 0.546 5.207 4.660 0.000 0.000 0.330 316 W C -2.021 174.377 176.519 -0.201 0.000 1.253 316 W CA -0.964 56.099 57.345 -0.472 0.000 1.187 316 W CB 0.288 29.176 29.460 -0.954 0.000 1.434 316 W HN -0.407 nan 8.180 nan 0.000 0.572 317 I N 2.109 122.673 120.570 -0.010 0.000 2.406 317 I HA 0.484 4.655 4.170 0.001 0.000 0.290 317 I C 0.656 176.844 176.117 0.117 0.000 0.999 317 I CA -0.762 60.446 61.300 -0.153 0.000 1.124 317 I CB 1.977 39.710 38.000 -0.444 0.000 1.289 317 I HN 0.600 nan 8.210 nan 0.000 0.441 318 G N 5.871 114.696 108.800 0.041 0.000 2.327 318 G HA2 0.491 4.451 3.960 0.001 0.000 0.302 318 G HA3 0.491 4.451 3.960 0.001 0.000 0.302 318 G C -0.545 174.447 174.900 0.153 0.000 1.113 318 G CA -0.264 45.019 45.100 0.305 0.000 0.921 318 G HN 0.350 nan 8.290 nan 0.000 0.425 319 V N 3.794 123.809 119.914 0.168 0.000 2.364 319 V HA 0.212 4.332 4.120 0.001 0.000 0.272 319 V C -0.457 175.742 176.094 0.175 0.000 1.036 319 V CA -0.987 61.411 62.300 0.163 0.000 0.880 319 V CB 1.059 32.984 31.823 0.171 0.000 0.991 319 V HN 0.619 nan 8.190 nan 0.000 0.460 320 N N 4.251 123.053 118.700 0.171 0.000 2.469 320 N HA 0.405 5.145 4.740 0.001 0.000 0.253 320 N C -1.141 174.435 175.510 0.109 0.000 0.970 320 N CA -0.303 52.801 53.050 0.090 0.000 0.940 320 N CB 1.143 39.682 38.487 0.087 0.000 1.128 320 N HN 0.705 nan 8.380 nan 0.000 0.503 321 Y N 2.083 122.297 120.300 -0.143 0.000 2.425 321 Y HA 0.377 4.927 4.550 0.001 0.000 0.344 321 Y C -0.664 175.061 175.900 -0.291 0.000 0.969 321 Y CA -0.544 57.507 58.100 -0.082 0.000 1.052 321 Y CB 0.893 39.387 38.460 0.056 0.000 1.215 321 Y HN 0.515 nan 8.280 nan 0.000 0.451 322 Y N 1.763 121.639 120.300 -0.707 0.000 2.723 322 Y HA 0.326 4.876 4.550 0.001 0.000 0.272 322 Y C 0.879 176.444 175.900 -0.558 0.000 1.142 322 Y CA 0.643 58.527 58.100 -0.359 0.000 1.217 322 Y CB 1.085 39.458 38.460 -0.145 0.000 1.391 322 Y HN 0.623 nan 8.280 nan 0.000 0.479 323 T N -0.522 113.537 114.554 -0.824 0.000 2.661 323 T HA 0.346 4.696 4.350 0.001 0.000 0.305 323 T C -1.395 173.118 174.700 -0.311 0.000 1.441 323 T CA -0.953 60.888 62.100 -0.431 0.000 0.999 323 T CB 1.066 69.727 68.868 -0.345 0.000 1.650 323 T HN 0.150 nan 8.240 nan 0.000 0.489 324 R N 0.269 120.703 120.500 -0.109 0.000 2.517 324 R HA 0.749 5.089 4.340 0.001 0.000 0.250 324 R C -1.132 174.999 176.300 -0.281 0.000 1.213 324 R CA -0.349 55.634 56.100 -0.195 0.000 1.146 324 R CB 0.318 30.291 30.300 -0.544 0.000 1.279 324 R HN 0.566 nan 8.270 nan 0.000 0.597 325 T N 0.874 115.232 114.554 -0.326 0.000 3.170 325 T HA 0.239 4.590 4.350 0.001 0.000 0.315 325 T C -0.981 173.634 174.700 -0.142 0.000 0.967 325 T CA -0.611 61.357 62.100 -0.221 0.000 1.024 325 T CB 1.447 70.116 68.868 -0.331 0.000 1.018 325 T HN 0.374 nan 8.240 nan 0.000 0.449 326 V N 4.526 124.359 119.914 -0.134 0.000 2.498 326 V HA 0.653 4.774 4.120 0.001 0.000 0.279 326 V C 0.487 176.555 176.094 -0.042 0.000 1.048 326 V CA -0.462 61.714 62.300 -0.207 0.000 0.967 326 V CB 1.155 32.623 31.823 -0.591 0.000 0.988 326 V HN 0.748 nan 8.190 nan 0.000 0.473 327 V N 2.505 122.410 119.914 -0.014 0.000 3.001 327 V HA 0.844 4.964 4.120 0.001 0.000 0.314 327 V C -0.754 175.362 176.094 0.036 0.000 1.099 327 V CA -1.081 61.260 62.300 0.068 0.000 0.989 327 V CB 2.094 33.969 31.823 0.088 0.000 1.040 327 V HN 0.956 nan 8.190 nan 0.000 0.434 328 K N 1.534 121.986 120.400 0.087 0.000 2.422 328 K HA 0.642 4.962 4.320 0.001 0.000 0.251 328 K C -0.801 175.858 176.600 0.099 0.000 0.933 328 K CA -0.973 55.353 56.287 0.065 0.000 0.798 328 K CB 2.526 35.059 32.500 0.056 0.000 1.238 328 K HN 0.606 nan 8.250 nan 0.000 0.428 329 R N 1.695 122.238 120.500 0.072 0.000 2.491 329 R HA 0.156 4.496 4.340 0.001 0.000 0.283 329 R C -0.788 175.548 176.300 0.059 0.000 1.072 329 R CA 0.257 56.405 56.100 0.080 0.000 1.048 329 R CB 0.697 31.026 30.300 0.049 0.000 0.983 329 R HN 0.939 nan 8.270 nan 0.000 0.450 330 T N 0.621 115.206 114.554 0.052 0.000 3.077 330 T HA 0.358 4.708 4.350 0.001 0.000 0.359 330 T C 0.963 175.668 174.700 0.008 0.000 1.108 330 T CA -0.080 62.033 62.100 0.022 0.000 1.170 330 T CB 1.240 70.112 68.868 0.007 0.000 1.045 330 T HN 0.676 nan 8.240 nan 0.000 0.505 331 G N 5.302 114.108 108.800 0.010 0.000 3.609 331 G HA2 -0.520 3.441 3.960 0.001 0.000 0.370 331 G HA3 -0.520 3.441 3.960 0.001 0.000 0.370 331 G C 1.144 176.044 174.900 -0.000 0.000 1.603 331 G CA 1.689 46.791 45.100 0.003 0.000 1.576 331 G HN 1.018 nan 8.290 nan 0.000 0.800 332 K N 0.424 120.816 120.400 -0.013 0.000 1.974 332 K HA 0.383 4.703 4.320 0.001 0.000 0.211 332 K C 2.308 178.899 176.600 -0.014 0.000 1.039 332 K CA 1.620 57.894 56.287 -0.022 0.000 0.947 332 K CB -0.613 31.862 32.500 -0.041 0.000 0.735 332 K HN 0.788 nan 8.250 nan 0.000 0.441 333 G N -0.344 108.433 108.800 -0.038 0.000 3.110 333 G HA2 0.409 4.369 3.960 0.001 0.000 0.207 333 G HA3 0.409 4.369 3.960 0.001 0.000 0.207 333 G C -0.629 174.314 174.900 0.071 0.000 1.841 333 G CA 0.123 45.215 45.100 -0.013 0.000 0.751 333 G HN 0.546 nan 8.290 nan 0.000 0.771 334 Y N -2.770 117.502 120.300 -0.045 0.000 2.725 334 Y HA 0.767 5.317 4.550 0.001 0.000 0.333 334 Y C -1.382 174.501 175.900 -0.027 0.000 1.242 334 Y CA -1.555 56.524 58.100 -0.036 0.000 1.059 334 Y CB 1.349 39.780 38.460 -0.049 0.000 1.306 334 Y HN 0.433 nan 8.280 nan 0.000 0.454 335 V N 1.223 121.228 119.914 0.151 0.000 2.888 335 V HA 0.496 4.617 4.120 0.001 0.000 0.309 335 V C -0.623 175.587 176.094 0.193 0.000 1.114 335 V CA -0.904 61.440 62.300 0.074 0.000 0.940 335 V CB 2.171 34.009 31.823 0.025 0.000 1.021 335 V HN 0.922 nan 8.190 nan 0.000 0.426 336 S N 4.115 119.919 115.700 0.173 0.000 2.601 336 S HA 0.673 5.144 4.470 0.001 0.000 0.271 336 S C -0.434 174.247 174.600 0.136 0.000 1.305 336 S CA -0.419 57.887 58.200 0.178 0.000 1.022 336 S CB 0.685 63.987 63.200 0.170 0.000 0.940 336 S HN 0.471 nan 8.310 nan 0.000 0.525 337 L N 1.967 123.282 121.223 0.154 0.000 2.322 337 L HA 0.551 4.892 4.340 0.001 0.000 0.281 337 L C 0.970 177.978 176.870 0.229 0.000 1.014 337 L CA -0.826 54.134 54.840 0.201 0.000 0.815 337 L CB 1.306 43.531 42.059 0.275 0.000 1.247 337 L HN 0.753 nan 8.230 nan 0.000 0.421 338 G N 0.297 109.185 108.800 0.148 0.000 2.606 338 G HA2 0.416 4.376 3.960 0.001 0.000 0.252 338 G HA3 0.416 4.376 3.960 0.001 0.000 0.252 338 G C 0.846 175.762 174.900 0.027 0.000 1.206 338 G CA 0.425 45.580 45.100 0.092 0.000 0.861 338 G HN 1.016 nan 8.290 nan 0.000 0.561 339 G N -1.379 107.393 108.800 -0.047 0.000 2.157 339 G HA2 -0.204 3.757 3.960 0.001 0.000 0.248 339 G HA3 -0.204 3.757 3.960 0.001 0.000 0.248 339 G C -0.061 174.571 174.900 -0.446 0.000 0.979 339 G CA 0.880 45.834 45.100 -0.244 0.000 0.650 339 G HN 0.858 nan 8.290 nan 0.000 0.529 340 Y N -1.194 119.122 120.300 0.026 0.000 2.615 340 Y HA 0.569 5.119 4.550 0.001 0.000 0.341 340 Y C 1.322 177.207 175.900 -0.025 0.000 1.089 340 Y CA 0.133 58.230 58.100 -0.005 0.000 1.049 340 Y CB 1.069 39.507 38.460 -0.036 0.000 1.296 340 Y HN 1.104 nan 8.280 nan 0.000 0.470 341 G N 0.711 109.575 108.800 0.107 0.000 2.685 341 G HA2 -0.427 3.533 3.960 0.001 0.000 0.329 341 G HA3 -0.427 3.533 3.960 0.001 0.000 0.329 341 G C 0.747 175.578 174.900 -0.115 0.000 1.271 341 G CA 1.336 46.394 45.100 -0.071 0.000 1.003 341 G HN 0.910 nan 8.290 nan 0.000 0.549 342 H N 1.232 120.202 119.070 -0.166 0.000 2.529 342 H HA 0.317 4.873 4.556 0.001 0.000 0.277 342 H C 2.278 177.614 175.328 0.013 0.000 0.999 342 H CA 0.997 56.883 56.048 -0.269 0.000 1.256 342 H CB 0.038 29.486 29.762 -0.522 0.000 1.402 342 H HN 0.616 nan 8.280 nan 0.000 0.566 343 G N -0.136 108.746 108.800 0.138 0.000 3.882 343 G HA2 0.278 4.238 3.960 0.001 0.000 0.283 343 G HA3 0.278 4.238 3.960 0.001 0.000 0.283 343 G C -0.469 174.496 174.900 0.108 0.000 1.283 343 G CA -0.245 44.931 45.100 0.127 0.000 1.402 343 G HN 0.219 nan 8.290 nan 0.000 0.618 344 C N -0.426 118.959 119.300 0.143 0.000 2.531 344 C HA 0.585 5.045 4.460 0.001 0.000 0.369 344 C C 0.284 175.338 174.990 0.107 0.000 1.258 344 C CA -1.077 57.998 59.018 0.095 0.000 1.876 344 C CB 2.013 29.812 27.740 0.098 0.000 2.256 344 C HN 0.434 nan 8.230 nan 0.000 0.510 345 E N 0.925 121.164 120.200 0.065 0.000 2.366 345 E HA 0.198 4.549 4.350 0.001 0.000 0.266 345 E C -0.227 176.417 176.600 0.073 0.000 1.051 345 E CA 0.074 56.511 56.400 0.062 0.000 0.884 345 E CB 0.515 30.235 29.700 0.032 0.000 1.006 345 E HN 0.449 nan 8.360 nan 0.000 0.417 346 R N 1.530 122.073 120.500 0.071 0.000 2.543 346 R HA 0.080 4.421 4.340 0.001 0.000 0.277 346 R C -0.061 176.261 176.300 0.036 0.000 1.074 346 R CA -0.170 55.965 56.100 0.058 0.000 1.076 346 R CB -0.029 30.299 30.300 0.046 0.000 0.993 346 R HN 0.557 nan 8.270 nan 0.000 0.459 347 N N 0.231 118.950 118.700 0.032 0.000 2.667 347 N HA -0.249 4.491 4.740 0.001 0.000 0.263 347 N C -0.760 174.759 175.510 0.014 0.000 1.038 347 N CA 1.049 54.117 53.050 0.030 0.000 0.749 347 N CB -0.414 38.093 38.487 0.034 0.000 0.892 347 N HN 0.590 nan 8.380 nan 0.000 0.546 348 S N -1.361 114.336 115.700 -0.005 0.000 3.939 348 S HA 0.788 5.259 4.470 0.001 0.000 0.302 348 S C -1.376 173.146 174.600 -0.130 0.000 1.108 348 S CA -0.362 57.801 58.200 -0.062 0.000 1.225 348 S CB 1.463 64.645 63.200 -0.030 0.000 1.467 348 S HN 0.048 nan 8.310 nan 0.000 0.735 349 V N 1.935 121.745 119.914 -0.173 0.000 2.925 349 V HA 0.659 4.779 4.120 0.001 0.000 0.311 349 V C -0.013 176.030 176.094 -0.086 0.000 1.104 349 V CA -0.224 61.967 62.300 -0.182 0.000 0.954 349 V CB 2.081 33.644 31.823 -0.434 0.000 1.022 349 V HN 1.058 nan 8.190 nan 0.000 0.427 350 S N 3.690 119.369 115.700 -0.036 0.000 2.661 350 S HA 0.433 4.904 4.470 0.001 0.000 0.265 350 S C 1.027 175.554 174.600 -0.121 0.000 1.225 350 S CA -0.490 57.669 58.200 -0.069 0.000 0.986 350 S CB 0.580 63.784 63.200 0.006 0.000 1.008 350 S HN 0.571 nan 8.310 nan 0.000 0.565 351 L N 0.128 121.160 121.223 -0.318 0.000 2.353 351 L HA -0.025 4.315 4.340 0.001 0.000 0.220 351 L C 2.493 179.336 176.870 -0.044 0.000 1.133 351 L CA 1.187 55.859 54.840 -0.281 0.000 0.798 351 L CB -0.780 40.905 42.059 -0.623 0.000 0.922 351 L HN 0.908 nan 8.230 nan 0.000 0.445 352 A N -0.848 122.012 122.820 0.066 0.000 2.275 352 A HA 0.370 4.690 4.320 0.001 0.000 0.212 352 A C 1.691 179.355 177.584 0.133 0.000 1.201 352 A CA 0.623 52.776 52.037 0.194 0.000 0.843 352 A CB -0.043 19.144 19.000 0.311 0.000 0.873 352 A HN 0.453 nan 8.150 nan 0.000 0.492 353 G N -1.047 107.802 108.800 0.082 0.000 2.141 353 G HA2 -0.197 3.763 3.960 0.001 0.000 0.242 353 G HA3 -0.197 3.763 3.960 0.001 0.000 0.242 353 G C -0.004 174.931 174.900 0.059 0.000 0.982 353 G CA 0.291 45.434 45.100 0.072 0.000 0.662 353 G HN 0.430 nan 8.290 nan 0.000 0.527 354 L N 2.060 123.338 121.223 0.091 0.000 2.334 354 L HA 0.464 4.804 4.340 0.001 0.000 0.277 354 L C -1.430 175.483 176.870 0.073 0.000 1.075 354 L CA -2.394 52.515 54.840 0.116 0.000 0.804 354 L CB 1.271 43.486 42.059 0.259 0.000 1.174 354 L HN -0.065 nan 8.230 nan 0.000 0.438 355 P HA 0.038 nan 4.420 nan 0.000 0.268 355 P C -0.641 176.745 177.300 0.143 0.000 1.205 355 P CA -0.158 62.952 63.100 0.017 0.000 0.771 355 P CB 0.724 32.390 31.700 -0.058 0.000 0.858 356 T N -1.082 113.536 114.554 0.107 0.000 2.918 356 T HA 0.510 4.860 4.350 0.001 0.000 0.286 356 T C 0.521 175.301 174.700 0.133 0.000 1.026 356 T CA -0.640 61.556 62.100 0.161 0.000 1.031 356 T CB 0.903 69.845 68.868 0.123 0.000 1.046 356 T HN 0.456 nan 8.240 nan 0.000 0.479 357 S N 1.296 117.079 115.700 0.139 0.000 2.640 357 S HA 0.212 4.682 4.470 0.001 0.000 0.262 357 S C 0.494 175.075 174.600 -0.032 0.000 1.232 357 S CA -0.423 57.796 58.200 0.032 0.000 0.988 357 S CB 0.006 63.176 63.200 -0.051 0.000 1.034 357 S HN 0.692 nan 8.310 nan 0.000 0.569 358 D N -0.350 119.978 120.400 -0.121 0.000 2.309 358 D HA 0.025 4.665 4.640 0.001 0.000 0.212 358 D C 0.858 177.070 176.300 -0.145 0.000 0.968 358 D CA 0.784 54.701 54.000 -0.138 0.000 0.882 358 D CB -0.308 40.364 40.800 -0.213 0.000 0.918 358 D HN 0.485 nan 8.370 nan 0.000 0.503 359 F N 0.056 119.772 119.950 -0.390 0.000 2.749 359 F HA 0.294 4.821 4.527 0.001 0.000 0.300 359 F C 1.621 177.240 175.800 -0.301 0.000 1.103 359 F CA 0.108 57.805 58.000 -0.504 0.000 1.342 359 F CB 0.291 38.589 39.000 -1.171 0.000 1.098 359 F HN 0.052 nan 8.300 nan 0.000 0.586 360 G N -0.275 108.572 108.800 0.079 0.000 2.142 360 G HA2 -0.267 3.693 3.960 0.001 0.000 0.225 360 G HA3 -0.267 3.693 3.960 0.001 0.000 0.225 360 G C -0.381 174.751 174.900 0.386 0.000 1.015 360 G CA -0.194 45.026 45.100 0.200 0.000 0.716 360 G HN 0.110 nan 8.290 nan 0.000 0.508 361 W N 0.959 122.315 121.300 0.092 0.000 2.433 361 W HA 0.642 5.303 4.660 0.000 0.000 0.315 361 W C 0.484 177.063 176.519 0.101 0.000 1.087 361 W CA -2.125 55.235 57.345 0.024 0.000 1.205 361 W CB 0.716 30.158 29.460 -0.031 0.000 1.288 361 W HN 0.329 nan 8.180 nan 0.000 0.504 362 E N 2.426 122.806 120.200 0.299 0.000 2.373 362 E HA 0.069 4.419 4.350 0.001 0.000 0.267 362 E C -0.920 175.944 176.600 0.440 0.000 1.032 362 E CA -0.539 56.048 56.400 0.312 0.000 0.889 362 E CB 0.580 30.416 29.700 0.228 0.000 0.984 362 E HN 0.255 nan 8.360 nan 0.000 0.425 363 F N 5.990 126.145 119.950 0.341 0.000 2.466 363 F HA 0.236 4.763 4.527 0.001 0.000 0.363 363 F C -1.137 174.916 175.800 0.422 0.000 1.109 363 F CA -0.123 58.123 58.000 0.411 0.000 1.161 363 F CB 0.074 39.266 39.000 0.320 0.000 1.117 363 F HN 0.412 nan 8.300 nan 0.000 0.539 364 F N 9.650 129.627 119.950 0.045 0.000 2.971 364 F HA 0.386 4.913 4.527 0.001 0.000 0.373 364 F C -2.262 173.500 175.800 -0.063 0.000 1.288 364 F CA -2.066 55.973 58.000 0.065 0.000 1.204 364 F CB 0.600 39.697 39.000 0.161 0.000 1.852 364 F HN 0.243 nan 8.300 nan 0.000 0.624 365 P HA -0.196 nan 4.420 nan 0.000 0.215 365 P C 1.122 178.081 177.300 -0.567 0.000 1.157 365 P CA 1.794 64.325 63.100 -0.948 0.000 0.874 365 P CB 0.316 31.503 31.700 -0.856 0.000 0.790 366 E N -0.563 119.260 120.200 -0.628 0.000 2.187 366 E HA -0.172 4.179 4.350 0.001 0.000 0.199 366 E C 2.269 178.739 176.600 -0.217 0.000 1.004 366 E CA 1.526 57.668 56.400 -0.430 0.000 0.813 366 E CB -1.428 27.953 29.700 -0.533 0.000 0.736 366 E HN 0.274 nan 8.360 nan 0.000 0.468 367 G N 0.927 109.656 108.800 -0.117 0.000 2.475 367 G HA2 -0.268 3.693 3.960 0.001 0.000 0.220 367 G HA3 -0.268 3.693 3.960 0.001 0.000 0.220 367 G C 1.470 176.037 174.900 -0.555 0.000 1.125 367 G CA 0.788 45.933 45.100 0.075 0.000 0.755 367 G HN 0.207 nan 8.290 nan 0.000 0.565 368 L N -0.567 120.136 121.223 -0.866 0.000 2.093 368 L HA 0.061 4.402 4.340 0.001 0.000 0.208 368 L C 2.443 179.164 176.870 -0.250 0.000 1.085 368 L CA 1.536 55.918 54.840 -0.763 0.000 0.755 368 L CB -0.789 41.059 42.059 -0.353 0.000 0.904 368 L HN 0.351 nan 8.230 nan 0.000 0.435 369 Y N 0.283 120.437 120.300 -0.244 0.000 2.181 369 Y HA -0.261 4.289 4.550 0.001 0.000 0.288 369 Y C 2.373 178.221 175.900 -0.087 0.000 1.146 369 Y CA 2.060 60.075 58.100 -0.142 0.000 1.164 369 Y CB -0.453 37.918 38.460 -0.148 0.000 0.982 369 Y HN 0.477 nan 8.280 nan 0.000 0.515 370 D N -0.431 119.925 120.400 -0.074 0.000 2.092 370 D HA -0.200 4.440 4.640 0.001 0.000 0.193 370 D C 2.119 178.344 176.300 -0.125 0.000 0.994 370 D CA 2.142 56.090 54.000 -0.085 0.000 0.828 370 D CB -0.403 40.423 40.800 0.044 0.000 0.963 370 D HN 0.237 nan 8.370 nan 0.000 0.450 371 V N 0.420 120.267 119.914 -0.112 0.000 2.295 371 V HA -0.214 3.906 4.120 0.001 0.000 0.246 371 V C 2.720 178.848 176.094 0.056 0.000 1.049 371 V CA 1.399 63.670 62.300 -0.049 0.000 1.024 371 V CB -0.563 31.265 31.823 0.008 0.000 0.648 371 V HN 0.317 nan 8.190 nan 0.000 0.447 372 L N 0.448 121.678 121.223 0.012 0.000 1.989 372 L HA -0.208 4.133 4.340 0.001 0.000 0.211 372 L C 2.879 179.773 176.870 0.039 0.000 1.071 372 L CA 2.336 57.215 54.840 0.065 0.000 0.749 372 L CB -1.198 40.852 42.059 -0.014 0.000 0.890 372 L HN 0.596 nan 8.230 nan 0.000 0.431 373 T N -3.112 111.339 114.554 -0.172 0.000 2.788 373 T HA -0.165 4.185 4.350 0.001 0.000 0.268 373 T C 1.932 176.634 174.700 0.003 0.000 1.044 373 T CA 0.697 62.713 62.100 -0.139 0.000 1.139 373 T CB -0.186 68.427 68.868 -0.425 0.000 0.867 373 T HN 0.111 nan 8.240 nan 0.000 0.454 374 K N 0.528 120.924 120.400 -0.006 0.000 2.009 374 K HA -0.077 4.244 4.320 0.001 0.000 0.210 374 K C 2.127 178.808 176.600 0.136 0.000 1.049 374 K CA 1.484 57.812 56.287 0.068 0.000 0.929 374 K CB -0.761 31.787 32.500 0.080 0.000 0.714 374 K HN 0.455 nan 8.250 nan 0.000 0.440 375 Y N 0.131 120.540 120.300 0.182 0.000 2.181 375 Y HA -0.238 4.313 4.550 0.001 0.000 0.288 375 Y C 2.332 178.253 175.900 0.036 0.000 1.146 375 Y CA 1.134 59.336 58.100 0.170 0.000 1.164 375 Y CB -0.538 38.001 38.460 0.132 0.000 0.982 375 Y HN 0.308 nan 8.280 nan 0.000 0.515 376 W N 1.168 122.477 121.300 0.015 0.000 2.354 376 W HA -0.261 4.400 4.660 0.000 0.000 0.315 376 W C 1.417 177.633 176.519 -0.505 0.000 1.206 376 W CA 1.746 58.989 57.345 -0.171 0.000 1.290 376 W CB -0.383 29.000 29.460 -0.128 0.000 1.152 376 W HN 0.094 nan 8.180 nan 0.000 0.489 377 N N 0.496 118.948 118.700 -0.413 0.000 2.443 377 N HA -0.162 4.578 4.740 0.001 0.000 0.184 377 N C 1.783 176.916 175.510 -0.628 0.000 1.037 377 N CA 1.247 53.951 53.050 -0.576 0.000 0.896 377 N CB -0.499 37.855 38.487 -0.222 0.000 0.959 377 N HN 0.377 nan 8.380 nan 0.000 0.442 378 R N -0.678 119.423 120.500 -0.665 0.000 2.087 378 R HA 0.030 4.370 4.340 0.001 0.000 0.216 378 R C 0.893 176.735 176.300 -0.763 0.000 1.114 378 R CA 0.799 56.383 56.100 -0.860 0.000 1.002 378 R CB 0.166 29.598 30.300 -1.447 0.000 0.903 378 R HN 0.129 nan 8.270 nan 0.000 0.445 379 Y N -1.453 118.657 120.300 -0.317 0.000 2.444 379 Y HA 0.248 4.799 4.550 0.001 0.000 0.252 379 Y C -0.178 175.610 175.900 -0.187 0.000 1.091 379 Y CA -0.101 57.891 58.100 -0.180 0.000 1.276 379 Y CB 0.176 38.587 38.460 -0.082 0.000 1.170 379 Y HN 0.166 nan 8.280 nan 0.000 0.517 380 H N -0.469 118.383 119.070 -0.363 0.000 2.791 380 H HA -0.153 4.404 4.556 0.001 0.000 0.302 380 H C -0.693 174.495 175.328 -0.234 0.000 1.198 380 H CA 0.440 55.963 56.048 -0.874 0.000 1.145 380 H CB -1.928 27.341 29.762 -0.821 0.000 1.385 380 H HN 0.202 nan 8.280 nan 0.000 0.409 381 L N 1.195 122.532 121.223 0.190 0.000 2.309 381 L HA 0.310 4.651 4.340 0.001 0.000 0.282 381 L C 0.905 178.054 176.870 0.465 0.000 1.036 381 L CA -1.295 53.718 54.840 0.289 0.000 0.806 381 L CB 0.625 42.752 42.059 0.114 0.000 1.220 381 L HN 0.244 nan 8.230 nan 0.000 0.429 382 Y N 2.461 122.999 120.300 0.396 0.000 2.426 382 Y HA 0.511 5.061 4.550 0.001 0.000 0.344 382 Y C -0.028 175.962 175.900 0.149 0.000 1.256 382 Y CA -1.011 57.219 58.100 0.217 0.000 1.451 382 Y CB 0.493 38.984 38.460 0.051 0.000 1.342 382 Y HN 0.548 nan 8.280 nan 0.000 0.600 383 M N 1.378 121.047 119.600 0.116 0.000 2.683 383 M HA 0.589 5.069 4.480 0.001 0.000 0.274 383 M C -2.373 173.890 176.300 -0.061 0.000 1.272 383 M CA -1.050 54.286 55.300 0.061 0.000 0.833 383 M CB 2.341 34.982 32.600 0.068 0.000 1.708 383 M HN 0.686 nan 8.290 nan 0.000 0.463 384 Y N -0.270 120.133 120.300 0.172 0.000 2.499 384 Y HA 0.577 5.128 4.550 0.001 0.000 0.347 384 Y C -0.385 175.586 175.900 0.118 0.000 0.987 384 Y CA -0.903 57.236 58.100 0.065 0.000 1.044 384 Y CB 2.412 40.844 38.460 -0.046 0.000 1.245 384 Y HN 0.467 nan 8.280 nan 0.000 0.461 385 V N 2.993 123.070 119.914 0.272 0.000 2.313 385 V HA 0.035 4.155 4.120 0.001 0.000 0.252 385 V C 0.780 176.939 176.094 0.108 0.000 1.112 385 V CA 0.276 62.692 62.300 0.194 0.000 0.984 385 V CB -0.079 31.883 31.823 0.231 0.000 1.157 385 V HN 1.054 nan 8.190 nan 0.000 0.493 386 T N 0.920 115.569 114.554 0.159 0.000 3.085 386 T HA 0.149 4.499 4.350 0.001 0.000 0.263 386 T C 0.450 175.216 174.700 0.110 0.000 1.127 386 T CA 0.408 62.590 62.100 0.136 0.000 1.103 386 T CB 0.221 69.220 68.868 0.219 0.000 0.921 386 T HN 0.640 nan 8.240 nan 0.000 0.510 387 E N 0.427 120.656 120.200 0.048 0.000 2.388 387 E HA 0.509 4.859 4.350 0.001 0.000 0.289 387 E C -1.731 174.754 176.600 -0.193 0.000 0.944 387 E CA -0.745 55.673 56.400 0.031 0.000 0.792 387 E CB 1.732 31.483 29.700 0.085 0.000 1.239 387 E HN 0.217 nan 8.360 nan 0.000 0.412 388 N N 1.397 119.968 118.700 -0.214 0.000 2.666 388 N HA 0.592 5.333 4.740 0.001 0.000 0.260 388 N C -1.280 174.155 175.510 -0.124 0.000 1.077 388 N CA -0.076 52.833 53.050 -0.235 0.000 1.026 388 N CB 1.913 40.422 38.487 0.037 0.000 1.653 388 N HN 0.636 nan 8.380 nan 0.000 0.533 389 G N 1.350 110.221 108.800 0.118 0.000 2.427 389 G HA2 0.550 4.510 3.960 0.001 0.000 0.306 389 G HA3 0.550 4.510 3.960 0.001 0.000 0.306 389 G C -1.906 173.039 174.900 0.075 0.000 1.280 389 G CA -0.452 44.708 45.100 0.101 0.000 0.837 389 G HN 0.733 nan 8.290 nan 0.000 0.482 390 I N -0.510 120.097 120.570 0.062 0.000 2.743 390 I HA 0.623 4.793 4.170 0.001 0.000 0.292 390 I C -0.386 175.331 176.117 -0.667 0.000 1.343 390 I CA -1.083 60.027 61.300 -0.315 0.000 1.038 390 I CB 1.936 39.580 38.000 -0.593 0.000 1.311 390 I HN 1.045 nan 8.210 nan 0.000 0.426 391 A N 4.608 126.743 122.820 -1.142 0.000 2.410 391 A HA 0.448 4.768 4.320 0.001 0.000 0.292 391 A C -0.593 176.694 177.584 -0.496 0.000 1.232 391 A CA 0.268 51.628 52.037 -1.129 0.000 0.893 391 A CB -0.269 18.095 19.000 -1.061 0.000 1.131 391 A HN 0.587 nan 8.150 nan 0.000 0.530 392 D N 2.271 122.469 120.400 -0.337 0.000 2.445 392 D HA 0.107 4.747 4.640 0.001 0.000 0.236 392 D C 0.268 176.468 176.300 -0.168 0.000 1.315 392 D CA -0.349 53.536 54.000 -0.191 0.000 0.924 392 D CB 0.720 41.458 40.800 -0.104 0.000 1.447 392 D HN 0.428 nan 8.370 nan 0.000 0.532 393 D N 2.013 122.309 120.400 -0.174 0.000 2.144 393 D HA -0.109 4.532 4.640 0.001 0.000 0.199 393 D C 1.788 177.966 176.300 -0.203 0.000 0.984 393 D CA 1.637 55.547 54.000 -0.150 0.000 0.834 393 D CB 0.351 41.078 40.800 -0.121 0.000 0.955 393 D HN 0.370 nan 8.370 nan 0.000 0.465 394 A N -0.289 122.335 122.820 -0.328 0.000 2.066 394 A HA 0.001 4.322 4.320 0.001 0.000 0.218 394 A C 1.126 178.412 177.584 -0.496 0.000 1.157 394 A CA 1.447 53.138 52.037 -0.577 0.000 0.670 394 A CB -0.219 18.036 19.000 -1.242 0.000 0.804 394 A HN 0.329 nan 8.150 nan 0.000 0.453 395 D N -4.561 115.668 120.400 -0.285 0.000 3.017 395 D HA -0.190 4.450 4.640 0.001 0.000 0.220 395 D C 0.168 176.501 176.300 0.054 0.000 1.141 395 D CA 0.975 54.927 54.000 -0.081 0.000 0.848 395 D CB -1.780 38.996 40.800 -0.040 0.000 1.102 395 D HN 0.475 nan 8.370 nan 0.000 0.427 396 Y N 0.011 120.362 120.300 0.085 0.000 2.220 396 Y HA 0.034 4.584 4.550 0.001 0.000 0.291 396 Y C 2.545 178.564 175.900 0.197 0.000 1.129 396 Y CA 1.528 59.699 58.100 0.117 0.000 1.161 396 Y CB -0.357 38.144 38.460 0.070 0.000 0.997 396 Y HN 0.326 nan 8.280 nan 0.000 0.522 397 Q N -0.993 119.014 119.800 0.345 0.000 2.392 397 Q HA 0.050 4.390 4.340 0.001 0.000 0.219 397 Q C 2.182 178.462 176.000 0.466 0.000 0.895 397 Q CA -0.074 55.959 55.803 0.384 0.000 0.929 397 Q CB 0.139 29.065 28.738 0.314 0.000 1.077 397 Q HN 0.319 nan 8.270 nan 0.000 0.532 398 R N 1.247 121.934 120.500 0.312 0.000 2.103 398 R HA -0.156 4.185 4.340 0.001 0.000 0.242 398 R C -0.873 175.611 176.300 0.306 0.000 1.142 398 R CA 1.661 57.936 56.100 0.291 0.000 0.960 398 R CB -0.707 29.685 30.300 0.153 0.000 0.858 398 R HN 0.135 nan 8.270 nan 0.000 0.439 399 P HA -0.156 nan 4.420 nan 0.000 0.215 399 P C 0.501 177.851 177.300 0.083 0.000 1.157 399 P CA 1.459 64.601 63.100 0.070 0.000 0.868 399 P CB -0.113 31.552 31.700 -0.059 0.000 0.788 400 Y N -2.909 117.525 120.300 0.222 0.000 2.200 400 Y HA -0.174 4.377 4.550 0.001 0.000 0.290 400 Y C 2.570 178.770 175.900 0.500 0.000 1.137 400 Y CA 1.149 59.412 58.100 0.273 0.000 1.163 400 Y CB -1.374 37.213 38.460 0.213 0.000 0.988 400 Y HN -0.058 nan 8.280 nan 0.000 0.518 401 Y N 0.178 120.883 120.300 0.677 0.000 2.145 401 Y HA -0.263 4.288 4.550 0.001 0.000 0.286 401 Y C 2.376 178.545 175.900 0.448 0.000 1.145 401 Y CA 1.308 59.762 58.100 0.589 0.000 1.148 401 Y CB -0.641 38.105 38.460 0.477 0.000 0.981 401 Y HN 0.143 nan 8.280 nan 0.000 0.507 402 L N -0.479 121.062 121.223 0.530 0.000 1.970 402 L HA -0.186 4.155 4.340 0.001 0.000 0.212 402 L C 2.279 179.253 176.870 0.173 0.000 1.071 402 L CA 2.042 57.063 54.840 0.302 0.000 0.751 402 L CB -1.256 40.830 42.059 0.045 0.000 0.889 402 L HN 0.126 nan 8.230 nan 0.000 0.432 403 V N -0.568 119.419 119.914 0.122 0.000 2.332 403 V HA -0.281 3.839 4.120 0.001 0.000 0.248 403 V C 2.598 178.752 176.094 0.099 0.000 1.055 403 V CA 1.907 64.247 62.300 0.066 0.000 1.038 403 V CB -0.883 30.934 31.823 -0.011 0.000 0.651 403 V HN 0.546 nan 8.190 nan 0.000 0.450 404 S N -0.923 114.860 115.700 0.139 0.000 2.356 404 S HA -0.226 4.244 4.470 0.001 0.000 0.223 404 S C 1.877 176.480 174.600 0.004 0.000 1.032 404 S CA 1.818 60.058 58.200 0.066 0.000 1.005 404 S CB -0.389 62.855 63.200 0.075 0.000 0.867 404 S HN 0.734 nan 8.310 nan 0.000 0.449 405 H N 0.235 119.290 119.070 -0.024 0.000 2.428 405 H HA 0.117 4.673 4.556 0.001 0.000 0.296 405 H C 2.054 177.439 175.328 0.094 0.000 1.062 405 H CA 1.011 57.072 56.048 0.022 0.000 1.350 405 H CB -0.352 29.449 29.762 0.065 0.000 1.403 405 H HN 0.128 nan 8.280 nan 0.000 0.533 406 V N 0.462 120.452 119.914 0.128 0.000 2.407 406 V HA -0.294 3.827 4.120 0.001 0.000 0.248 406 V C 2.040 178.296 176.094 0.270 0.000 1.055 406 V CA 1.895 64.233 62.300 0.063 0.000 1.049 406 V CB -0.634 31.163 31.823 -0.043 0.000 0.662 406 V HN 0.485 nan 8.190 nan 0.000 0.455 407 Y N 1.019 121.344 120.300 0.042 0.000 2.181 407 Y HA -0.240 4.310 4.550 0.001 0.000 0.288 407 Y C 2.615 178.489 175.900 -0.043 0.000 1.146 407 Y CA 1.745 59.788 58.100 -0.095 0.000 1.164 407 Y CB -0.215 38.084 38.460 -0.270 0.000 0.982 407 Y HN 0.203 nan 8.280 nan 0.000 0.515 408 Q N -0.134 119.591 119.800 -0.124 0.000 2.170 408 Q HA -0.122 4.219 4.340 0.001 0.000 0.203 408 Q C 2.513 178.490 176.000 -0.040 0.000 0.976 408 Q CA 1.576 57.272 55.803 -0.179 0.000 0.858 408 Q CB -0.717 27.974 28.738 -0.078 0.000 0.907 408 Q HN 0.507 nan 8.270 nan 0.000 0.433 409 V N 0.110 120.088 119.914 0.107 0.000 2.427 409 V HA -0.249 3.872 4.120 0.001 0.000 0.248 409 V C 2.233 178.381 176.094 0.090 0.000 1.051 409 V CA 2.041 64.466 62.300 0.209 0.000 1.048 409 V CB -0.687 31.394 31.823 0.429 0.000 0.666 409 V HN 0.400 nan 8.190 nan 0.000 0.456 410 H N 0.629 119.623 119.070 -0.127 0.000 2.353 410 H HA -0.175 4.381 4.556 0.001 0.000 0.300 410 H C 2.454 177.548 175.328 -0.389 0.000 1.090 410 H CA 2.226 57.963 56.048 -0.519 0.000 1.327 410 H CB -0.057 29.292 29.762 -0.688 0.000 1.383 410 H HN 0.248 nan 8.280 nan 0.000 0.508 411 R N -0.237 120.040 120.500 -0.370 0.000 2.096 411 R HA -0.064 4.276 4.340 0.001 0.000 0.235 411 R C 2.322 178.601 176.300 -0.035 0.000 1.127 411 R CA 1.118 57.017 56.100 -0.334 0.000 0.968 411 R CB -0.305 29.659 30.300 -0.560 0.000 0.861 411 R HN 0.431 nan 8.270 nan 0.000 0.440 412 A N 0.585 123.456 122.820 0.084 0.000 1.929 412 A HA -0.073 4.247 4.320 0.001 0.000 0.216 412 A C 2.075 179.589 177.584 -0.117 0.000 1.176 412 A CA 1.033 53.106 52.037 0.060 0.000 0.628 412 A CB -0.357 18.625 19.000 -0.031 0.000 0.816 412 A HN 0.324 nan 8.150 nan 0.000 0.444 413 I N 0.080 120.534 120.570 -0.194 0.000 2.226 413 I HA -0.249 3.921 4.170 0.001 0.000 0.245 413 I C 1.976 177.931 176.117 -0.269 0.000 1.100 413 I CA 1.136 62.279 61.300 -0.262 0.000 1.374 413 I CB -0.423 37.392 38.000 -0.310 0.000 1.057 413 I HN 0.390 nan 8.210 nan 0.000 0.413 414 N N 0.232 118.748 118.700 -0.306 0.000 2.453 414 N HA -0.085 4.655 4.740 0.001 0.000 0.183 414 N C 1.650 177.096 175.510 -0.105 0.000 1.041 414 N CA 0.866 53.778 53.050 -0.231 0.000 0.900 414 N CB 0.115 38.441 38.487 -0.269 0.000 0.961 414 N HN 0.236 nan 8.380 nan 0.000 0.443 415 S N -0.785 114.880 115.700 -0.058 0.000 2.558 415 S HA 0.146 4.616 4.470 0.001 0.000 0.217 415 S C 1.446 176.039 174.600 -0.012 0.000 0.975 415 S CA 0.621 58.833 58.200 0.019 0.000 0.912 415 S CB 0.560 63.826 63.200 0.110 0.000 0.776 415 S HN 0.614 nan 8.310 nan 0.000 0.526 416 G N 0.831 109.564 108.800 -0.111 0.000 2.211 416 G HA2 -0.118 3.842 3.960 0.001 0.000 0.201 416 G HA3 -0.118 3.842 3.960 0.001 0.000 0.201 416 G C 0.166 174.752 174.900 -0.524 0.000 0.997 416 G CA -0.258 44.763 45.100 -0.133 0.000 0.652 416 G HN 0.758 nan 8.290 nan 0.000 0.500 417 A N 0.428 122.830 122.820 -0.697 0.000 2.477 417 A HA 0.492 4.813 4.320 0.001 0.000 0.246 417 A C 0.210 177.178 177.584 -1.027 0.000 1.078 417 A CA 0.682 51.947 52.037 -1.287 0.000 0.770 417 A CB 0.383 19.051 19.000 -0.555 0.000 1.011 417 A HN 0.323 nan 8.150 nan 0.000 0.494 418 D N 2.559 122.123 120.400 -1.394 0.000 2.494 418 D HA 0.364 5.004 4.640 0.001 0.000 0.217 418 D C -0.821 175.316 176.300 -0.271 0.000 1.153 418 D CA 0.119 53.730 54.000 -0.648 0.000 0.954 418 D CB 0.169 40.672 40.800 -0.494 0.000 1.034 418 D HN 0.104 nan 8.370 nan 0.000 0.518 419 V N 5.426 125.244 119.914 -0.158 0.000 2.357 419 V HA 0.348 4.468 4.120 0.001 0.000 0.284 419 V C 1.359 177.458 176.094 0.008 0.000 1.018 419 V CA -0.635 61.653 62.300 -0.020 0.000 0.841 419 V CB 1.560 33.459 31.823 0.127 0.000 0.991 419 V HN 0.379 nan 8.190 nan 0.000 0.437 420 R N 2.817 123.131 120.500 -0.310 0.000 2.334 420 R HA 0.465 4.805 4.340 0.001 0.000 0.216 420 R C 0.747 176.609 176.300 -0.729 0.000 0.905 420 R CA 0.365 56.181 56.100 -0.473 0.000 1.064 420 R CB 0.898 30.772 30.300 -0.709 0.000 1.046 420 R HN 0.827 nan 8.270 nan 0.000 0.508 421 G N -0.174 108.210 108.800 -0.693 0.000 2.523 421 G HA2 0.254 4.215 3.960 0.001 0.000 0.291 421 G HA3 0.254 4.215 3.960 0.001 0.000 0.291 421 G C -2.383 172.356 174.900 -0.268 0.000 1.450 421 G CA -0.619 43.929 45.100 -0.920 0.000 0.790 421 G HN 0.075 nan 8.290 nan 0.000 0.496 422 Y N 0.670 120.779 120.300 -0.319 0.000 2.329 422 Y HA 0.703 5.253 4.550 0.001 0.000 0.328 422 Y C -1.498 174.557 175.900 0.259 0.000 0.992 422 Y CA -1.127 57.060 58.100 0.146 0.000 1.151 422 Y CB 1.549 40.227 38.460 0.362 0.000 1.150 422 Y HN 0.385 nan 8.280 nan 0.000 0.450 423 L N 6.932 128.058 121.223 -0.162 0.000 2.301 423 L HA 0.305 4.646 4.340 0.001 0.000 0.278 423 L C -0.354 176.461 176.870 -0.092 0.000 1.022 423 L CA -0.647 54.199 54.840 0.009 0.000 0.854 423 L CB 0.488 42.553 42.059 0.010 0.000 1.226 423 L HN 0.687 nan 8.230 nan 0.000 0.429 424 H N 2.893 121.955 119.070 -0.014 0.000 2.928 424 H HA -0.072 4.484 4.556 0.001 0.000 0.338 424 H C -0.529 174.919 175.328 0.199 0.000 1.047 424 H CA 0.285 56.356 56.048 0.037 0.000 1.435 424 H CB 0.620 30.424 29.762 0.071 0.000 1.428 424 H HN 0.641 nan 8.280 nan 0.000 0.590 425 W N 6.767 127.898 121.300 -0.281 0.000 2.659 425 W HA 0.233 4.894 4.660 0.001 0.000 0.342 425 W C -0.771 175.819 176.519 0.117 0.000 1.287 425 W CA 0.102 57.438 57.345 -0.014 0.000 1.460 425 W CB -0.376 29.127 29.460 0.070 0.000 1.503 425 W HN 0.756 nan 8.180 nan 0.000 0.483 426 S N 3.648 119.013 115.700 -0.560 0.000 3.152 426 S HA -0.255 4.215 4.470 0.001 0.000 0.857 426 S C 0.784 175.292 174.600 -0.153 0.000 1.044 426 S CA 0.112 58.036 58.200 -0.459 0.000 1.231 426 S CB -0.539 62.084 63.200 -0.961 0.000 0.871 426 S HN 0.730 nan 8.310 nan 0.000 0.252 427 L N 1.581 122.640 121.223 -0.273 0.000 2.056 427 L HA 0.124 4.465 4.340 0.001 0.000 0.207 427 L C 1.042 177.673 176.870 -0.399 0.000 1.078 427 L CA 2.083 56.625 54.840 -0.496 0.000 0.749 427 L CB -0.399 41.049 42.059 -1.018 0.000 0.901 427 L HN 0.879 nan 8.230 nan 0.000 0.433 428 A N -1.125 121.499 122.820 -0.326 0.000 2.515 428 A HA 0.426 4.747 4.320 0.001 0.000 0.296 428 A C -1.124 176.402 177.584 -0.098 0.000 1.094 428 A CA -0.855 51.019 52.037 -0.272 0.000 0.718 428 A CB 0.888 19.612 19.000 -0.459 0.000 1.307 428 A HN 0.106 nan 8.150 nan 0.000 0.408 429 D N 1.602 121.982 120.400 -0.033 0.000 2.390 429 D HA 0.214 4.855 4.640 0.001 0.000 0.236 429 D C 0.029 176.475 176.300 0.242 0.000 1.189 429 D CA 0.799 54.878 54.000 0.131 0.000 0.887 429 D CB 0.431 41.321 40.800 0.150 0.000 1.198 429 D HN 0.686 nan 8.370 nan 0.000 0.444 430 N N -0.544 118.381 118.700 0.375 0.000 3.364 430 N HA 0.038 4.778 4.740 0.001 0.000 0.294 430 N C -1.346 174.414 175.510 0.416 0.000 1.562 430 N CA -0.700 52.602 53.050 0.421 0.000 0.862 430 N CB 0.626 39.254 38.487 0.236 0.000 1.691 430 N HN 0.276 nan 8.380 nan 0.000 0.572 431 Y N 1.175 121.496 120.300 0.036 0.000 2.584 431 Y HA 0.126 4.676 4.550 0.001 0.000 0.351 431 Y C 0.289 175.917 175.900 -0.453 0.000 1.030 431 Y CA 0.053 57.900 58.100 -0.421 0.000 1.332 431 Y CB 0.289 38.353 38.460 -0.660 0.000 1.148 431 Y HN 0.375 nan 8.280 nan 0.000 0.528 432 E N 7.172 127.056 120.200 -0.525 0.000 2.346 432 E HA 0.001 4.352 4.350 0.001 0.000 0.317 432 E C -0.180 176.236 176.600 -0.307 0.000 1.404 432 E CA 0.072 56.297 56.400 -0.292 0.000 1.534 432 E CB -0.598 29.105 29.700 0.005 0.000 1.309 432 E HN 0.821 nan 8.360 nan 0.000 0.499 433 W N 0.840 121.907 121.300 -0.389 0.000 1.933 433 W HA -0.467 4.193 4.660 0.000 0.000 0.279 433 W C 1.949 178.381 176.519 -0.145 0.000 1.131 433 W CA 1.222 58.399 57.345 -0.280 0.000 1.071 433 W CB -1.637 27.707 29.460 -0.193 0.000 0.881 433 W HN 0.384 nan 8.180 nan 0.000 0.547 434 A N -0.494 122.645 122.820 0.531 0.000 2.076 434 A HA -0.138 4.182 4.320 0.001 0.000 0.220 434 A C 1.807 179.498 177.584 0.178 0.000 1.160 434 A CA 2.463 54.754 52.037 0.424 0.000 0.653 434 A CB -0.998 18.341 19.000 0.565 0.000 0.801 434 A HN 0.450 nan 8.150 nan 0.000 0.455 435 S N -1.371 114.401 115.700 0.120 0.000 2.489 435 S HA 0.378 4.848 4.470 0.001 0.000 0.228 435 S C 1.299 175.766 174.600 -0.222 0.000 0.995 435 S CA 0.782 58.969 58.200 -0.022 0.000 0.934 435 S CB -0.384 62.791 63.200 -0.042 0.000 0.771 435 S HN 1.598 nan 8.310 nan 0.000 0.522 436 G N 1.177 109.677 108.800 -0.499 0.000 2.584 436 G HA2 -0.237 3.723 3.960 0.001 0.000 0.229 436 G HA3 -0.237 3.723 3.960 0.001 0.000 0.229 436 G C 0.088 174.618 174.900 -0.617 0.000 1.320 436 G CA -0.113 44.568 45.100 -0.698 0.000 0.891 436 G HN 0.268 nan 8.290 nan 0.000 0.573 437 F N 1.954 121.789 119.950 -0.191 0.000 2.780 437 F HA 0.161 4.689 4.527 0.000 0.000 0.299 437 F C 2.889 178.631 175.800 -0.097 0.000 1.146 437 F CA 1.375 59.273 58.000 -0.170 0.000 1.428 437 F CB 0.045 38.805 39.000 -0.400 0.000 1.115 437 F HN 0.546 nan 8.300 nan 0.000 0.583 438 S N -0.475 115.235 115.700 0.015 0.000 2.419 438 S HA -0.103 4.367 4.470 0.001 0.000 0.233 438 S C 1.104 175.639 174.600 -0.108 0.000 1.016 438 S CA 0.683 58.862 58.200 -0.035 0.000 0.974 438 S CB -0.358 62.793 63.200 -0.081 0.000 0.786 438 S HN 0.083 nan 8.310 nan 0.000 0.492 439 M N 2.791 122.288 119.600 -0.171 0.000 2.151 439 M HA 0.354 4.834 4.480 0.001 0.000 0.349 439 M C -0.439 175.850 176.300 -0.017 0.000 1.284 439 M CA 0.292 55.433 55.300 -0.266 0.000 1.173 439 M CB 0.366 32.664 32.600 -0.503 0.000 1.469 439 M HN 0.207 nan 8.290 nan 0.000 0.439 440 R N 2.321 122.773 120.500 -0.080 0.000 2.204 440 R HA 0.304 4.644 4.340 0.001 0.000 0.341 440 R C -0.042 176.246 176.300 -0.019 0.000 1.035 440 R CA -0.141 55.988 56.100 0.049 0.000 0.887 440 R CB 0.518 30.834 30.300 0.026 0.000 1.114 440 R HN 0.480 nan 8.270 nan 0.000 0.473 441 F N 0.478 120.487 119.950 0.098 0.000 2.727 441 F HA 0.193 4.721 4.527 0.001 0.000 0.302 441 F C 1.749 177.585 175.800 0.059 0.000 1.097 441 F CA -0.257 57.825 58.000 0.137 0.000 1.330 441 F CB 0.454 39.681 39.000 0.379 0.000 1.084 441 F HN 0.554 nan 8.300 nan 0.000 0.578 442 G N 0.148 109.038 108.800 0.149 0.000 2.527 442 G HA2 0.274 4.235 3.960 0.001 0.000 0.248 442 G HA3 0.274 4.235 3.960 0.001 0.000 0.248 442 G C 0.851 175.747 174.900 -0.007 0.000 1.231 442 G CA -0.424 44.689 45.100 0.021 0.000 0.838 442 G HN 0.241 nan 8.290 nan 0.000 0.570 443 L N 0.351 121.532 121.223 -0.070 0.000 2.240 443 L HA 0.185 4.525 4.340 0.001 0.000 0.211 443 L C 0.805 177.541 176.870 -0.223 0.000 1.106 443 L CA 0.633 55.391 54.840 -0.137 0.000 0.793 443 L CB -0.240 41.701 42.059 -0.197 0.000 0.927 443 L HN 0.259 nan 8.230 nan 0.000 0.446 444 L N 0.306 121.363 121.223 -0.276 0.000 2.322 444 L HA 0.332 4.673 4.340 0.001 0.000 0.281 444 L C -0.024 176.745 176.870 -0.168 0.000 1.014 444 L CA -0.458 54.208 54.840 -0.291 0.000 0.815 444 L CB 1.664 43.450 42.059 -0.455 0.000 1.247 444 L HN -0.057 nan 8.230 nan 0.000 0.421 445 K N 2.413 122.775 120.400 -0.064 0.000 2.249 445 K HA 0.461 4.781 4.320 0.001 0.000 0.280 445 K C -1.055 175.517 176.600 -0.045 0.000 1.033 445 K CA -0.468 55.798 56.287 -0.034 0.000 0.946 445 K CB 1.371 33.874 32.500 0.004 0.000 1.005 445 K HN 0.365 nan 8.250 nan 0.000 0.469 446 V N 4.018 123.829 119.914 -0.172 0.000 2.398 446 V HA 0.079 4.199 4.120 0.001 0.000 0.286 446 V C -0.357 175.511 176.094 -0.376 0.000 1.026 446 V CA -0.781 61.311 62.300 -0.346 0.000 0.868 446 V CB 1.464 32.879 31.823 -0.680 0.000 0.982 446 V HN 0.817 nan 8.190 nan 0.000 0.443 447 D N 3.559 123.850 120.400 -0.183 0.000 2.380 447 D HA 0.161 4.802 4.640 0.001 0.000 0.230 447 D C 0.413 176.600 176.300 -0.190 0.000 1.154 447 D CA -0.205 53.742 54.000 -0.088 0.000 0.859 447 D CB 0.868 41.731 40.800 0.105 0.000 1.045 447 D HN 0.502 nan 8.370 nan 0.000 0.495 448 Y N 2.750 123.002 120.300 -0.080 0.000 2.651 448 Y HA -0.093 4.457 4.550 0.001 0.000 0.296 448 Y C 1.922 177.760 175.900 -0.104 0.000 1.150 448 Y CA 0.598 58.606 58.100 -0.153 0.000 1.348 448 Y CB -0.164 38.104 38.460 -0.320 0.000 0.983 448 Y HN 0.425 nan 8.280 nan 0.000 0.555 449 N N -0.983 117.747 118.700 0.050 0.000 2.197 449 N HA -0.111 4.629 4.740 0.001 0.000 0.184 449 N C 1.922 177.444 175.510 0.020 0.000 1.030 449 N CA 1.893 54.963 53.050 0.033 0.000 0.851 449 N CB -0.179 38.325 38.487 0.028 0.000 1.003 449 N HN 0.294 nan 8.380 nan 0.000 0.430 450 T N -2.422 112.139 114.554 0.013 0.000 3.057 450 T HA 0.179 4.530 4.350 0.001 0.000 0.254 450 T C 0.371 175.062 174.700 -0.014 0.000 1.094 450 T CA 0.137 62.239 62.100 0.004 0.000 1.088 450 T CB 0.194 69.069 68.868 0.011 0.000 0.934 450 T HN -0.038 nan 8.240 nan 0.000 0.497 451 K N 0.171 120.552 120.400 -0.033 0.000 3.341 451 K HA -0.152 4.168 4.320 0.001 0.000 0.305 451 K C 0.223 176.774 176.600 -0.080 0.000 1.270 451 K CA 0.559 56.817 56.287 -0.049 0.000 0.897 451 K CB -2.005 30.503 32.500 0.014 0.000 1.264 451 K HN 0.681 nan 8.250 nan 0.000 0.468 452 R N 0.919 121.357 120.500 -0.103 0.000 2.539 452 R HA 0.427 4.767 4.340 0.001 0.000 0.275 452 R C -0.007 176.120 176.300 -0.288 0.000 1.077 452 R CA -0.355 55.625 56.100 -0.201 0.000 1.097 452 R CB 0.521 30.689 30.300 -0.219 0.000 1.018 452 R HN 0.113 nan 8.270 nan 0.000 0.483 453 L N 4.192 125.182 121.223 -0.387 0.000 2.325 453 L HA 0.451 4.792 4.340 0.001 0.000 0.278 453 L C -1.073 175.541 176.870 -0.427 0.000 1.023 453 L CA -0.873 53.762 54.840 -0.342 0.000 0.811 453 L CB 1.324 43.181 42.059 -0.336 0.000 1.249 453 L HN 0.623 nan 8.230 nan 0.000 0.431 454 Y N -0.394 119.879 120.300 -0.046 0.000 2.499 454 Y HA 0.349 4.899 4.550 0.001 0.000 0.347 454 Y C -0.804 175.159 175.900 0.106 0.000 0.987 454 Y CA -0.522 57.617 58.100 0.066 0.000 1.044 454 Y CB 1.809 40.273 38.460 0.007 0.000 1.245 454 Y HN 0.409 nan 8.280 nan 0.000 0.461 455 W N 4.198 125.533 121.300 0.059 0.000 2.387 455 W HA 0.478 5.138 4.660 0.000 0.000 0.310 455 W C 0.171 176.703 176.519 0.022 0.000 1.181 455 W CA -0.971 56.379 57.345 0.008 0.000 1.333 455 W CB 0.324 29.778 29.460 -0.011 0.000 1.286 455 W HN 0.275 nan 8.180 nan 0.000 0.455 456 R N 4.302 124.870 120.500 0.115 0.000 2.641 456 R HA 0.077 4.417 4.340 0.001 0.000 0.269 456 R C -1.308 175.056 176.300 0.107 0.000 1.074 456 R CA -1.265 54.880 56.100 0.074 0.000 1.133 456 R CB 0.143 30.446 30.300 0.005 0.000 1.029 456 R HN 0.163 nan 8.270 nan 0.000 0.488 457 P HA -0.242 nan 4.420 nan 0.000 0.217 457 P C 1.129 178.483 177.300 0.091 0.000 1.151 457 P CA 1.668 64.830 63.100 0.103 0.000 0.849 457 P CB 0.144 31.895 31.700 0.085 0.000 0.787 458 S N -0.983 114.752 115.700 0.058 0.000 2.442 458 S HA -0.141 4.330 4.470 0.001 0.000 0.236 458 S C 1.968 176.583 174.600 0.025 0.000 1.007 458 S CA 1.425 59.644 58.200 0.031 0.000 0.965 458 S CB -1.516 61.693 63.200 0.014 0.000 0.773 458 S HN 0.280 nan 8.310 nan 0.000 0.504 459 S N 1.947 117.660 115.700 0.020 0.000 2.428 459 S HA 0.153 4.624 4.470 0.001 0.000 0.230 459 S C 1.774 176.462 174.600 0.147 0.000 1.014 459 S CA 0.528 58.711 58.200 -0.028 0.000 0.957 459 S CB -0.756 62.250 63.200 -0.323 0.000 0.784 459 S HN 0.522 nan 8.310 nan 0.000 0.499 460 L N 0.920 122.285 121.223 0.237 0.000 2.156 460 L HA 0.033 4.374 4.340 0.001 0.000 0.208 460 L C 2.578 179.536 176.870 0.146 0.000 1.095 460 L CA 0.589 55.581 54.840 0.253 0.000 0.770 460 L CB -0.500 41.677 42.059 0.197 0.000 0.914 460 L HN 0.237 nan 8.230 nan 0.000 0.439 461 V N -1.135 118.845 119.914 0.110 0.000 2.379 461 V HA -0.298 3.822 4.120 0.001 0.000 0.245 461 V C 2.241 178.392 176.094 0.096 0.000 1.044 461 V CA 1.517 63.860 62.300 0.072 0.000 1.036 461 V CB -0.613 31.231 31.823 0.035 0.000 0.664 461 V HN 0.357 nan 8.190 nan 0.000 0.453 462 Y N 1.327 121.586 120.300 -0.069 0.000 2.224 462 Y HA -0.191 4.359 4.550 0.001 0.000 0.289 462 Y C 2.747 178.588 175.900 -0.098 0.000 1.146 462 Y CA 1.767 59.796 58.100 -0.119 0.000 1.182 462 Y CB -0.471 37.909 38.460 -0.135 0.000 0.983 462 Y HN 0.108 nan 8.280 nan 0.000 0.524 463 R N 0.302 120.810 120.500 0.013 0.000 2.096 463 R HA -0.155 4.186 4.340 0.001 0.000 0.235 463 R C 1.852 178.116 176.300 -0.059 0.000 1.127 463 R CA 1.632 57.714 56.100 -0.030 0.000 0.968 463 R CB -0.057 30.328 30.300 0.142 0.000 0.861 463 R HN 0.305 nan 8.270 nan 0.000 0.440 464 E N 0.691 120.878 120.200 -0.021 0.000 2.077 464 E HA -0.170 4.180 4.350 0.001 0.000 0.193 464 E C 2.099 178.645 176.600 -0.089 0.000 0.989 464 E CA 1.174 57.556 56.400 -0.029 0.000 0.800 464 E CB -0.204 29.497 29.700 0.003 0.000 0.746 464 E HN 0.462 nan 8.360 nan 0.000 0.452 465 I N 0.932 121.406 120.570 -0.161 0.000 2.163 465 I HA -0.232 3.938 4.170 0.001 0.000 0.240 465 I C 2.529 178.336 176.117 -0.517 0.000 1.081 465 I CA 1.050 62.154 61.300 -0.326 0.000 1.353 465 I CB -0.399 37.356 38.000 -0.408 0.000 1.054 465 I HN -0.007 nan 8.210 nan 0.000 0.407 466 A N 0.164 122.638 122.820 -0.576 0.000 1.877 466 A HA -0.223 4.097 4.320 0.001 0.000 0.216 466 A C 2.404 179.924 177.584 -0.107 0.000 1.186 466 A CA 2.529 54.328 52.037 -0.396 0.000 0.620 466 A CB -1.172 17.585 19.000 -0.405 0.000 0.822 466 A HN 0.351 nan 8.150 nan 0.000 0.443 467 T N 0.206 114.701 114.554 -0.097 0.000 2.833 467 T HA -0.093 4.257 4.350 0.001 0.000 0.269 467 T C 1.535 176.243 174.700 0.013 0.000 1.054 467 T CA 1.552 63.641 62.100 -0.019 0.000 1.135 467 T CB -0.332 68.527 68.868 -0.015 0.000 0.869 467 T HN 0.529 nan 8.240 nan 0.000 0.466 468 N N -0.186 118.515 118.700 0.001 0.000 2.254 468 N HA 0.131 4.871 4.740 0.001 0.000 0.190 468 N C 1.209 176.779 175.510 0.101 0.000 1.107 468 N CA 0.568 53.644 53.050 0.042 0.000 0.869 468 N CB 0.669 39.174 38.487 0.030 0.000 0.983 468 N HN 0.455 nan 8.380 nan 0.000 0.487 469 G N 1.247 110.122 108.800 0.125 0.000 2.305 469 G HA2 -0.111 3.850 3.960 0.001 0.000 0.287 469 G HA3 -0.111 3.850 3.960 0.001 0.000 0.287 469 G C 0.011 175.143 174.900 0.386 0.000 1.036 469 G CA 0.686 45.973 45.100 0.312 0.000 0.887 469 G HN 0.680 nan 8.290 nan 0.000 0.505 470 A N -1.367 121.600 122.820 0.244 0.000 2.549 470 A HA 0.638 4.958 4.320 0.001 0.000 0.291 470 A C -0.509 177.180 177.584 0.176 0.000 1.034 470 A CA -0.502 51.735 52.037 0.334 0.000 0.655 470 A CB 0.542 19.677 19.000 0.225 0.000 1.299 470 A HN 0.848 nan 8.150 nan 0.000 0.427 471 I N 2.860 123.572 120.570 0.237 0.000 2.294 471 I HA 0.234 4.404 4.170 0.001 0.000 0.295 471 I C 1.240 177.439 176.117 0.136 0.000 1.098 471 I CA -0.002 61.400 61.300 0.171 0.000 1.277 471 I CB 0.890 39.032 38.000 0.237 0.000 1.434 471 I HN 0.779 nan 8.210 nan 0.000 0.498 472 T N 0.853 115.454 114.554 0.078 0.000 2.856 472 T HA 0.031 4.381 4.350 0.001 0.000 0.306 472 T C 1.014 175.750 174.700 0.060 0.000 1.062 472 T CA -0.634 61.498 62.100 0.054 0.000 1.083 472 T CB 1.105 69.995 68.868 0.036 0.000 0.984 472 T HN 0.464 nan 8.240 nan 0.000 0.542 473 D N 1.131 121.551 120.400 0.033 0.000 2.149 473 D HA -0.143 4.497 4.640 0.001 0.000 0.198 473 D C 2.106 178.439 176.300 0.056 0.000 0.990 473 D CA 1.415 55.434 54.000 0.032 0.000 0.839 473 D CB 0.006 40.807 40.800 0.002 0.000 0.948 473 D HN 0.818 nan 8.370 nan 0.000 0.460 474 E N 1.135 121.365 120.200 0.049 0.000 2.204 474 E HA -0.154 4.196 4.350 0.001 0.000 0.195 474 E C 2.196 178.872 176.600 0.127 0.000 0.990 474 E CA 0.609 57.043 56.400 0.057 0.000 0.821 474 E CB -0.498 29.223 29.700 0.036 0.000 0.750 474 E HN 0.542 nan 8.360 nan 0.000 0.477 475 I N -2.269 118.383 120.570 0.136 0.000 3.974 475 I HA 0.286 4.457 4.170 0.001 0.000 0.334 475 I C 1.770 177.941 176.117 0.091 0.000 1.437 475 I CA -0.254 61.141 61.300 0.158 0.000 1.113 475 I CB 0.269 38.300 38.000 0.052 0.000 1.063 475 I HN -0.191 nan 8.210 nan 0.000 0.400 476 E N 2.392 122.680 120.200 0.148 0.000 2.118 476 E HA -0.285 4.066 4.350 0.001 0.000 0.195 476 E C 2.069 178.696 176.600 0.046 0.000 0.992 476 E CA 1.751 58.212 56.400 0.101 0.000 0.804 476 E CB -0.165 29.618 29.700 0.138 0.000 0.741 476 E HN 0.795 nan 8.360 nan 0.000 0.458 477 H N 0.251 119.317 119.070 -0.006 0.000 2.489 477 H HA -0.134 4.422 4.556 0.001 0.000 0.295 477 H C 1.819 177.146 175.328 -0.003 0.000 1.082 477 H CA 0.882 56.930 56.048 -0.001 0.000 1.295 477 H CB -0.576 29.189 29.762 0.005 0.000 1.380 477 H HN 0.283 nan 8.280 nan 0.000 0.548 478 L N 0.832 121.641 121.223 -0.690 0.000 2.551 478 L HA -0.040 4.300 4.340 0.001 0.000 0.228 478 L C 1.378 178.172 176.870 -0.127 0.000 1.153 478 L CA 0.367 54.870 54.840 -0.562 0.000 0.851 478 L CB -0.393 41.311 42.059 -0.591 0.000 0.959 478 L HN 0.325 nan 8.230 nan 0.000 0.451 479 N N 0.887 119.520 118.700 -0.112 0.000 3.178 479 N HA 0.033 4.773 4.740 0.001 0.000 0.300 479 N C -0.425 175.061 175.510 -0.040 0.000 1.242 479 N CA -0.078 52.906 53.050 -0.109 0.000 1.192 479 N CB 0.208 38.493 38.487 -0.335 0.000 1.463 479 N HN 0.221 nan 8.380 nan 0.000 0.539 480 S N -0.845 114.937 115.700 0.136 0.000 2.672 480 S HA 0.315 4.786 4.470 0.001 0.000 0.271 480 S C -0.693 173.995 174.600 0.146 0.000 1.171 480 S CA -0.864 57.416 58.200 0.134 0.000 0.817 480 S CB 1.269 64.541 63.200 0.120 0.000 1.150 480 S HN -0.088 nan 8.310 nan 0.000 0.478 481 V N 2.406 122.273 119.914 -0.078 0.000 2.583 481 V HA 0.394 4.514 4.120 0.001 0.000 0.287 481 V C -2.313 173.383 176.094 -0.663 0.000 1.051 481 V CA -1.540 60.466 62.300 -0.490 0.000 1.010 481 V CB 0.616 32.252 31.823 -0.312 0.000 0.988 481 V HN 0.743 nan 8.190 nan 0.000 0.478 482 P HA 0.163 nan 4.420 nan 0.000 0.263 482 P C -2.564 174.382 177.300 -0.590 0.000 1.195 482 P CA -0.869 61.566 63.100 -1.108 0.000 0.762 482 P CB -0.146 31.108 31.700 -0.744 0.000 0.799 483 P HA -0.096 nan 4.420 nan 0.000 0.261 483 P C 0.994 178.198 177.300 -0.159 0.000 1.183 483 P CA 0.307 63.276 63.100 -0.218 0.000 0.761 483 P CB 0.335 31.954 31.700 -0.136 0.000 0.785 484 V N 1.749 121.612 119.914 -0.084 0.000 3.235 484 V HA -0.062 4.059 4.120 0.001 0.000 0.259 484 V C 1.668 177.801 176.094 0.065 0.000 1.133 484 V CA 0.903 63.199 62.300 -0.006 0.000 1.128 484 V CB -0.832 31.029 31.823 0.063 0.000 0.757 484 V HN 0.238 nan 8.190 nan 0.000 0.469 485 K N 1.730 122.142 120.400 0.019 0.000 2.032 485 K HA -0.065 4.255 4.320 0.001 0.000 0.209 485 K C 0.348 176.944 176.600 -0.007 0.000 1.048 485 K CA 2.041 58.329 56.287 0.003 0.000 0.927 485 K CB -2.053 30.434 32.500 -0.021 0.000 0.712 485 K HN 0.509 nan 8.250 nan 0.000 0.441 486 P HA 0.044 nan 4.420 nan 0.000 0.231 486 P C 0.418 177.676 177.300 -0.071 0.000 1.168 486 P CA 0.459 63.521 63.100 -0.064 0.000 0.779 486 P CB 0.207 31.849 31.700 -0.098 0.000 0.844 487 L N -0.585 120.614 121.223 -0.040 0.000 2.439 487 L HA 0.318 4.659 4.340 0.001 0.000 0.259 487 L C 1.081 177.984 176.870 0.055 0.000 1.129 487 L CA -1.153 53.671 54.840 -0.026 0.000 0.803 487 L CB 0.470 42.507 42.059 -0.037 0.000 1.161 487 L HN -0.159 nan 8.230 nan 0.000 0.462 488 R N 0.587 121.112 120.500 0.042 0.000 2.590 488 R HA 0.157 4.498 4.340 0.001 0.000 0.274 488 R C -0.521 175.824 176.300 0.075 0.000 1.061 488 R CA -0.088 56.054 56.100 0.071 0.000 1.081 488 R CB 0.444 30.773 30.300 0.048 0.000 0.984 488 R HN 0.532 nan 8.270 nan 0.000 0.448 489 H N 0.000 119.072 119.070 0.003 0.000 2.539 489 H HA 0.000 4.556 4.556 0.001 0.000 0.296 489 H CA 0.000 56.051 56.048 0.006 0.000 1.023 489 H CB 0.000 29.762 29.762 0.000 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496