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 2owo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESIEQQLTE LRTTLRHHEY LYHVMDAPEI PDAEYDRLMR ELRELETKHP DATA SEQUENCE ELITPDSPTQ RVGAAPLAAF SQIRHEVPML SLDNVFDEES FLAFNKRVQD DATA SEQUENCE RLKNNEKVTW CCELKLDGLA VSILYENGVL VSAATRGDGT TGEDITSNVR DATA SEQUENCE TIRAIPLKLH GENIPARLEV RGEVFLPQAG FEKINEDARR TGGKVFANPR DATA SEQUENCE NAAAGSLRQL DPRITAKRPL TFFCYGVGVL EGGELPDTHL GRLLQFKKWG DATA SEQUENCE LPVSDRVTLC ESAEEVLAFY HKVEEDRPTL GFDIDGVVIK VNSLAQQEQL DATA SEQUENCE GFVARAPRWA VAFKFPAQEQ MTFVRDVEFQ VGRTGAITPV ARLEPVHVAG DATA SEQUENCE VLVSNATLHN ADEIERLGLR IGDKVVIRRA GDVIPQVVNV VLSERPEDTR DATA SEQUENCE EVVFPTHCPV CGSDVERVEG EAVARCTGGL ICGAQRKESL KHFVSRRAMD DATA SEQUENCE VDGMGDKIID QLVEKEYVHT PADLFKLTAG KLTGLERMGP KSAQNVVNAL DATA SEQUENCE EKAKETTFAR FLYALGIREV GEATAAGLAA YFGTLEALEA ASIEELQKVP DATA SEQUENCE DVGIVVASHV HNFFAEESNR NVISELLAEG VHWPAP 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 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 E N 2.747 122.945 120.200 -0.003 0.000 2.338 2 E HA 0.553 4.918 4.350 0.025 0.000 0.272 2 E C -0.076 176.515 176.600 -0.014 0.000 1.029 2 E CA -0.059 56.336 56.400 -0.009 0.000 0.872 2 E CB 0.806 30.502 29.700 -0.008 0.000 1.015 2 E HN 0.390 nan 8.360 nan 0.000 0.417 3 S N 3.066 118.752 115.700 -0.022 0.000 2.569 3 S HA -0.044 4.441 4.470 0.025 0.000 0.274 3 S C 1.296 175.866 174.600 -0.050 0.000 1.353 3 S CA -0.454 57.724 58.200 -0.037 0.000 1.023 3 S CB 0.259 63.434 63.200 -0.042 0.000 0.876 3 S HN 0.636 nan 8.310 nan 0.000 0.540 4 I N 1.180 121.697 120.570 -0.089 0.000 2.113 4 I HA -0.268 3.917 4.170 0.025 0.000 0.242 4 I C 2.583 178.642 176.117 -0.096 0.000 1.064 4 I CA 2.062 63.283 61.300 -0.130 0.000 1.320 4 I CB -0.778 37.020 38.000 -0.336 0.000 1.028 4 I HN 0.658 nan 8.210 nan 0.000 0.406 5 E N 0.486 120.630 120.200 -0.094 0.000 2.118 5 E HA -0.291 4.073 4.350 0.025 0.000 0.195 5 E C 2.095 178.673 176.600 -0.036 0.000 0.992 5 E CA 1.203 57.567 56.400 -0.060 0.000 0.804 5 E CB -0.337 29.332 29.700 -0.053 0.000 0.741 5 E HN 0.523 nan 8.360 nan 0.000 0.458 6 Q N 0.156 119.936 119.800 -0.034 0.000 2.230 6 Q HA -0.167 4.188 4.340 0.025 0.000 0.202 6 Q C 1.917 177.909 176.000 -0.015 0.000 0.963 6 Q CA 1.056 56.846 55.803 -0.022 0.000 0.866 6 Q CB 0.132 28.858 28.738 -0.021 0.000 0.931 6 Q HN 0.405 nan 8.270 nan 0.000 0.452 7 Q N -0.132 119.659 119.800 -0.015 0.000 2.096 7 Q HA -0.064 4.291 4.340 0.025 0.000 0.197 7 Q C 2.224 178.226 176.000 0.003 0.000 0.964 7 Q CA 0.861 56.663 55.803 -0.003 0.000 0.838 7 Q CB 0.080 28.820 28.738 0.002 0.000 0.906 7 Q HN 0.377 nan 8.270 nan 0.000 0.444 8 L N 0.156 121.379 121.223 -0.000 0.000 1.989 8 L HA -0.225 4.129 4.340 0.025 0.000 0.211 8 L C 2.697 179.571 176.870 0.007 0.000 1.071 8 L CA 1.595 56.439 54.840 0.007 0.000 0.749 8 L CB -0.671 41.390 42.059 0.004 0.000 0.890 8 L HN 0.308 nan 8.230 nan 0.000 0.431 9 T N -1.355 113.199 114.554 0.000 0.000 2.881 9 T HA -0.166 4.199 4.350 0.025 0.000 0.270 9 T C 1.753 176.456 174.700 0.004 0.000 1.068 9 T CA 1.112 63.213 62.100 0.001 0.000 1.131 9 T CB -0.063 68.802 68.868 -0.006 0.000 0.871 9 T HN 0.207 nan 8.240 nan 0.000 0.479 10 E N 0.461 120.663 120.200 0.003 0.000 2.285 10 E HA 0.099 4.464 4.350 0.025 0.000 0.194 10 E C 2.137 178.749 176.600 0.020 0.000 0.997 10 E CA 0.371 56.774 56.400 0.006 0.000 0.845 10 E CB -0.097 29.605 29.700 0.002 0.000 0.782 10 E HN 0.525 nan 8.360 nan 0.000 0.491 11 L N -0.187 121.049 121.223 0.023 0.000 2.127 11 L HA -0.031 4.324 4.340 0.025 0.000 0.203 11 L C 2.516 179.414 176.870 0.047 0.000 1.080 11 L CA 0.704 55.564 54.840 0.032 0.000 0.768 11 L CB -0.165 41.905 42.059 0.017 0.000 0.924 11 L HN -0.027 nan 8.230 nan 0.000 0.444 12 R N -0.650 119.872 120.500 0.038 0.000 2.096 12 R HA -0.123 4.232 4.340 0.025 0.000 0.235 12 R C 2.235 178.576 176.300 0.067 0.000 1.127 12 R CA 1.811 57.941 56.100 0.050 0.000 0.968 12 R CB -0.534 29.787 30.300 0.034 0.000 0.861 12 R HN 0.300 nan 8.270 nan 0.000 0.440 13 T N 0.025 114.607 114.554 0.047 0.000 2.746 13 T HA -0.113 4.252 4.350 0.025 0.000 0.267 13 T C 1.792 176.537 174.700 0.075 0.000 1.039 13 T CA 1.841 63.964 62.100 0.039 0.000 1.142 13 T CB -0.235 68.632 68.868 -0.001 0.000 0.866 13 T HN 0.327 nan 8.240 nan 0.000 0.444 14 T N 2.508 117.113 114.554 0.085 0.000 2.777 14 T HA 0.074 4.439 4.350 0.025 0.000 0.266 14 T C 2.020 176.871 174.700 0.251 0.000 1.040 14 T CA 0.801 62.978 62.100 0.129 0.000 1.141 14 T CB -0.435 68.516 68.868 0.137 0.000 0.868 14 T HN 0.233 nan 8.240 nan 0.000 0.444 15 L N 0.403 121.780 121.223 0.256 0.000 2.017 15 L HA -0.068 4.287 4.340 0.025 0.000 0.208 15 L C 2.885 179.945 176.870 0.318 0.000 1.073 15 L CA 1.442 56.495 54.840 0.354 0.000 0.745 15 L CB -0.476 41.709 42.059 0.209 0.000 0.894 15 L HN 0.127 nan 8.230 nan 0.000 0.432 16 R N -1.333 119.293 120.500 0.209 0.000 2.152 16 R HA -0.190 4.165 4.340 0.025 0.000 0.232 16 R C 2.255 178.675 176.300 0.199 0.000 1.117 16 R CA 1.046 57.251 56.100 0.174 0.000 0.981 16 R CB -0.407 29.966 30.300 0.121 0.000 0.870 16 R HN 0.369 nan 8.270 nan 0.000 0.451 17 H N 0.023 119.140 119.070 0.078 0.000 2.363 17 H HA -0.050 4.521 4.556 0.025 0.000 0.301 17 H C 1.843 177.210 175.328 0.064 0.000 1.074 17 H CA 1.545 57.624 56.048 0.052 0.000 1.354 17 H CB -0.005 29.721 29.762 -0.061 0.000 1.397 17 H HN 0.199 nan 8.280 nan 0.000 0.516 18 H N 0.701 119.786 119.070 0.025 0.000 2.387 18 H HA -0.080 4.491 4.556 0.025 0.000 0.299 18 H C 1.935 177.144 175.328 -0.197 0.000 1.090 18 H CA 1.637 57.616 56.048 -0.116 0.000 1.332 18 H CB 0.125 29.866 29.762 -0.034 0.000 1.386 18 H HN 0.640 nan 8.280 nan 0.000 0.516 19 E N -0.113 120.071 120.200 -0.027 0.000 2.110 19 E HA -0.199 4.166 4.350 0.025 0.000 0.193 19 E C 2.047 178.580 176.600 -0.111 0.000 0.988 19 E CA 0.790 57.098 56.400 -0.153 0.000 0.804 19 E CB -0.260 29.408 29.700 -0.053 0.000 0.745 19 E HN 0.414 nan 8.360 nan 0.000 0.458 20 Y N 1.921 122.167 120.300 -0.089 0.000 2.114 20 Y HA -0.195 4.370 4.550 0.025 0.000 0.284 20 Y C 2.010 177.862 175.900 -0.080 0.000 1.143 20 Y CA 1.396 59.478 58.100 -0.030 0.000 1.135 20 Y CB -0.408 38.053 38.460 0.003 0.000 0.980 20 Y HN -0.090 nan 8.280 nan 0.000 0.499 21 L N -0.937 120.106 121.223 -0.300 0.000 2.079 21 L HA -0.258 4.096 4.340 0.025 0.000 0.210 21 L C 2.382 179.108 176.870 -0.241 0.000 1.081 21 L CA 1.754 56.380 54.840 -0.357 0.000 0.752 21 L CB -1.015 40.880 42.059 -0.274 0.000 0.896 21 L HN 0.344 nan 8.230 nan 0.000 0.433 22 Y N 0.651 120.765 120.300 -0.310 0.000 2.097 22 Y HA -0.330 4.235 4.550 0.025 0.000 0.282 22 Y C 2.590 178.357 175.900 -0.222 0.000 1.152 22 Y CA 1.963 59.886 58.100 -0.296 0.000 1.136 22 Y CB -0.599 37.613 38.460 -0.413 0.000 0.975 22 Y HN 0.209 nan 8.280 nan 0.000 0.498 23 H N -1.537 117.353 119.070 -0.300 0.000 2.326 23 H HA -0.142 4.429 4.556 0.024 0.000 0.301 23 H C 2.353 177.478 175.328 -0.338 0.000 1.081 23 H CA 1.489 57.324 56.048 -0.354 0.000 1.334 23 H CB -0.307 29.374 29.762 -0.135 0.000 1.385 23 H HN 0.222 nan 8.280 nan 0.000 0.504 24 V N 1.186 120.941 119.914 -0.265 0.000 2.219 24 V HA -0.341 3.794 4.120 0.025 0.000 0.248 24 V C 2.192 178.153 176.094 -0.222 0.000 1.053 24 V CA 2.148 64.261 62.300 -0.311 0.000 1.009 24 V CB -0.453 31.041 31.823 -0.548 0.000 0.636 24 V HN 0.456 nan 8.190 nan 0.000 0.445 25 M N -0.477 118.988 119.600 -0.225 0.000 2.700 25 M HA -0.032 4.463 4.480 0.025 0.000 0.249 25 M C 0.848 177.048 176.300 -0.167 0.000 1.082 25 M CA 0.895 56.097 55.300 -0.163 0.000 1.077 25 M CB -0.453 32.066 32.600 -0.135 0.000 1.477 25 M HN 0.478 nan 8.290 nan 0.000 0.529 26 D N 1.429 121.693 120.400 -0.225 0.000 2.705 26 D HA -0.134 4.521 4.640 0.025 0.000 0.240 26 D C -0.420 175.735 176.300 -0.243 0.000 1.137 26 D CA 0.544 54.399 54.000 -0.242 0.000 0.677 26 D CB -0.307 40.402 40.800 -0.152 0.000 1.049 26 D HN 0.423 nan 8.370 nan 0.000 0.427 27 A N 0.994 123.620 122.820 -0.323 0.000 2.332 27 A HA 0.528 4.863 4.320 0.025 0.000 0.258 27 A C -1.279 176.243 177.584 -0.102 0.000 1.087 27 A CA -0.711 51.226 52.037 -0.167 0.000 0.802 27 A CB 0.551 19.523 19.000 -0.045 0.000 1.042 27 A HN 0.198 nan 8.150 nan 0.000 0.489 28 P HA 0.099 nan 4.420 nan 0.000 0.230 28 P C -0.144 177.275 177.300 0.200 0.000 1.168 28 P CA 1.146 64.299 63.100 0.089 0.000 0.793 28 P CB 0.285 32.008 31.700 0.038 0.000 0.851 29 E N -1.968 118.361 120.200 0.215 0.000 2.357 29 E HA 0.372 4.737 4.350 0.025 0.000 0.264 29 E C -1.155 175.460 176.600 0.025 0.000 1.164 29 E CA -0.861 55.581 56.400 0.069 0.000 0.893 29 E CB 0.150 29.827 29.700 -0.037 0.000 1.619 29 E HN -0.262 nan 8.360 nan 0.000 0.464 30 I N 1.546 122.010 120.570 -0.178 0.000 2.377 30 I HA 0.239 4.424 4.170 0.025 0.000 0.282 30 I C -1.930 174.114 176.117 -0.121 0.000 1.091 30 I CA -2.155 59.028 61.300 -0.196 0.000 1.207 30 I CB 1.019 38.738 38.000 -0.467 0.000 1.429 30 I HN 0.382 nan 8.210 nan 0.000 0.491 31 P HA -0.164 nan 4.420 nan 0.000 0.223 31 P C -0.040 177.247 177.300 -0.021 0.000 1.140 31 P CA 1.204 64.290 63.100 -0.023 0.000 0.783 31 P CB -0.038 31.663 31.700 0.003 0.000 0.759 32 D N -1.121 119.248 120.400 -0.051 0.000 2.316 32 D HA 0.296 4.951 4.640 0.025 0.000 0.245 32 D C 1.096 177.358 176.300 -0.063 0.000 1.171 32 D CA -0.131 53.837 54.000 -0.053 0.000 0.856 32 D CB 0.525 41.253 40.800 -0.120 0.000 1.090 32 D HN -0.100 nan 8.370 nan 0.000 0.476 33 A N 3.568 126.377 122.820 -0.017 0.000 2.248 33 A HA -0.087 4.248 4.320 0.025 0.000 0.210 33 A C 1.391 178.963 177.584 -0.020 0.000 1.174 33 A CA 0.775 52.809 52.037 -0.004 0.000 0.750 33 A CB -0.174 18.843 19.000 0.027 0.000 0.780 33 A HN 0.665 nan 8.150 nan 0.000 0.478 34 E N -2.068 118.107 120.200 -0.041 0.000 2.489 34 E HA -0.011 4.354 4.350 0.025 0.000 0.193 34 E C 1.044 177.584 176.600 -0.100 0.000 1.057 34 E CA 0.031 56.407 56.400 -0.039 0.000 0.866 34 E CB -0.047 29.671 29.700 0.030 0.000 0.916 34 E HN 0.813 nan 8.360 nan 0.000 0.500 35 Y N 1.304 121.425 120.300 -0.297 0.000 2.301 35 Y HA -0.040 4.524 4.550 0.024 0.000 0.295 35 Y C 1.381 177.185 175.900 -0.160 0.000 1.119 35 Y CA 1.263 59.178 58.100 -0.308 0.000 1.162 35 Y CB 0.252 38.486 38.460 -0.376 0.000 1.046 35 Y HN -0.098 nan 8.280 nan 0.000 0.538 36 D N -0.267 119.999 120.400 -0.223 0.000 2.183 36 D HA -0.097 4.558 4.640 0.025 0.000 0.203 36 D C 2.223 178.403 176.300 -0.200 0.000 0.969 36 D CA 1.013 54.863 54.000 -0.249 0.000 0.842 36 D CB -0.148 40.586 40.800 -0.110 0.000 0.957 36 D HN 0.247 nan 8.370 nan 0.000 0.484 37 R N 0.157 120.578 120.500 -0.132 0.000 2.062 37 R HA -0.043 4.312 4.340 0.025 0.000 0.231 37 R C 2.208 178.447 176.300 -0.103 0.000 1.136 37 R CA 0.839 56.885 56.100 -0.089 0.000 0.948 37 R CB -0.324 29.949 30.300 -0.046 0.000 0.845 37 R HN 0.177 nan 8.270 nan 0.000 0.430 38 L N 0.269 121.425 121.223 -0.111 0.000 2.042 38 L HA -0.241 4.114 4.340 0.025 0.000 0.210 38 L C 2.775 179.562 176.870 -0.138 0.000 1.076 38 L CA 1.146 55.934 54.840 -0.087 0.000 0.749 38 L CB -0.376 41.663 42.059 -0.034 0.000 0.893 38 L HN 0.357 nan 8.230 nan 0.000 0.432 39 M N 0.081 119.526 119.600 -0.258 0.000 2.080 39 M HA -0.218 4.277 4.480 0.025 0.000 0.260 39 M C 2.521 178.723 176.300 -0.163 0.000 1.068 39 M CA 1.982 57.124 55.300 -0.264 0.000 1.109 39 M CB -0.747 31.602 32.600 -0.419 0.000 1.342 39 M HN 0.357 nan 8.290 nan 0.000 0.405 40 R N -0.008 120.404 120.500 -0.146 0.000 2.148 40 R HA -0.093 4.262 4.340 0.025 0.000 0.227 40 R C 1.557 177.810 176.300 -0.079 0.000 1.103 40 R CA 1.497 57.534 56.100 -0.106 0.000 0.983 40 R CB -0.586 29.657 30.300 -0.095 0.000 0.874 40 R HN 0.428 nan 8.270 nan 0.000 0.451 41 E N 0.830 120.988 120.200 -0.070 0.000 2.106 41 E HA -0.152 4.213 4.350 0.025 0.000 0.192 41 E C 1.867 178.446 176.600 -0.034 0.000 0.984 41 E CA 1.009 57.383 56.400 -0.043 0.000 0.806 41 E CB -0.069 29.613 29.700 -0.030 0.000 0.750 41 E HN 0.247 nan 8.360 nan 0.000 0.458 42 L N 1.226 122.422 121.223 -0.045 0.000 2.056 42 L HA -0.103 4.252 4.340 0.025 0.000 0.207 42 L C 2.110 178.961 176.870 -0.030 0.000 1.078 42 L CA 1.632 56.455 54.840 -0.029 0.000 0.749 42 L CB -0.149 41.886 42.059 -0.039 0.000 0.901 42 L HN -0.128 nan 8.230 nan 0.000 0.433 43 R N -0.377 120.092 120.500 -0.052 0.000 2.081 43 R HA -0.132 4.223 4.340 0.025 0.000 0.235 43 R C 2.183 178.453 176.300 -0.051 0.000 1.131 43 R CA 1.730 57.797 56.100 -0.054 0.000 0.960 43 R CB -0.280 29.975 30.300 -0.075 0.000 0.856 43 R HN 0.528 nan 8.270 nan 0.000 0.436 44 E N 0.323 120.492 120.200 -0.051 0.000 2.077 44 E HA -0.208 4.156 4.350 0.025 0.000 0.193 44 E C 1.888 178.461 176.600 -0.045 0.000 0.989 44 E CA 0.940 57.309 56.400 -0.051 0.000 0.800 44 E CB -0.061 29.612 29.700 -0.045 0.000 0.746 44 E HN 0.117 nan 8.360 nan 0.000 0.452 45 L N 1.483 122.698 121.223 -0.013 0.000 2.156 45 L HA -0.120 4.235 4.340 0.025 0.000 0.208 45 L C 1.926 178.825 176.870 0.048 0.000 1.095 45 L CA 1.627 56.488 54.840 0.035 0.000 0.770 45 L CB -0.084 42.019 42.059 0.074 0.000 0.914 45 L HN 0.028 nan 8.230 nan 0.000 0.439 46 E N -0.975 119.237 120.200 0.020 0.000 2.047 46 E HA -0.195 4.170 4.350 0.025 0.000 0.191 46 E C 1.985 178.575 176.600 -0.016 0.000 0.987 46 E CA 1.767 58.181 56.400 0.023 0.000 0.799 46 E CB -0.261 29.443 29.700 0.007 0.000 0.752 46 E HN 0.668 nan 8.360 nan 0.000 0.449 47 T N -0.362 114.163 114.554 -0.049 0.000 2.929 47 T HA -0.110 4.255 4.350 0.025 0.000 0.271 47 T C 1.737 176.367 174.700 -0.116 0.000 1.085 47 T CA 0.956 63.016 62.100 -0.066 0.000 1.125 47 T CB -0.052 68.777 68.868 -0.065 0.000 0.874 47 T HN -0.017 nan 8.240 nan 0.000 0.494 48 K N 0.171 120.456 120.400 -0.192 0.000 2.167 48 K HA -0.004 4.331 4.320 0.025 0.000 0.203 48 K C 0.341 176.596 176.600 -0.575 0.000 1.052 48 K CA 0.759 56.808 56.287 -0.398 0.000 0.956 48 K CB 0.113 32.298 32.500 -0.525 0.000 0.735 48 K HN 0.552 nan 8.250 nan 0.000 0.451 49 H N -0.434 118.628 119.070 -0.014 0.000 2.348 49 H HA 0.181 4.752 4.556 0.025 0.000 0.232 49 H C -2.296 173.025 175.328 -0.011 0.000 1.419 49 H CA -2.051 53.990 56.048 -0.011 0.000 1.416 49 H CB 1.138 30.894 29.762 -0.010 0.000 1.510 49 H HN 0.004 nan 8.280 nan 0.000 0.507 50 P HA -0.159 nan 4.420 nan 0.000 0.223 50 P C 0.923 178.245 177.300 0.036 0.000 1.144 50 P CA 1.200 64.316 63.100 0.026 0.000 0.783 50 P CB 0.430 32.132 31.700 0.003 0.000 0.771 51 E N -1.160 119.072 120.200 0.054 0.000 2.447 51 E HA 0.049 4.413 4.350 0.025 0.000 0.195 51 E C 1.159 177.780 176.600 0.034 0.000 1.028 51 E CA 0.418 56.840 56.400 0.038 0.000 0.876 51 E CB -0.890 28.831 29.700 0.035 0.000 0.885 51 E HN 0.244 nan 8.360 nan 0.000 0.500 52 L N 1.068 122.322 121.223 0.052 0.000 2.791 52 L HA 0.361 4.716 4.340 0.025 0.000 0.239 52 L C -0.077 176.810 176.870 0.030 0.000 1.203 52 L CA -0.231 54.627 54.840 0.030 0.000 1.002 52 L CB 0.067 42.137 42.059 0.019 0.000 1.295 52 L HN 0.078 nan 8.230 nan 0.000 0.504 53 I N 0.437 121.024 120.570 0.029 0.000 2.342 53 I HA 0.168 4.353 4.170 0.025 0.000 0.291 53 I C 0.667 176.792 176.117 0.014 0.000 1.010 53 I CA -0.215 61.098 61.300 0.021 0.000 1.308 53 I CB 1.613 39.624 38.000 0.017 0.000 1.400 53 I HN 0.121 nan 8.210 nan 0.000 0.488 54 T N 3.181 117.742 114.554 0.013 0.000 2.929 54 T HA 0.372 4.737 4.350 0.025 0.000 0.284 54 T C -1.622 173.086 174.700 0.012 0.000 1.014 54 T CA -1.898 60.209 62.100 0.011 0.000 1.051 54 T CB 1.764 70.639 68.868 0.011 0.000 1.028 54 T HN 0.418 nan 8.240 nan 0.000 0.485 55 P HA 0.044 nan 4.420 nan 0.000 0.230 55 P C 0.420 177.730 177.300 0.017 0.000 1.158 55 P CA 0.625 63.733 63.100 0.013 0.000 0.769 55 P CB 0.255 31.962 31.700 0.012 0.000 0.807 56 D N -0.532 119.880 120.400 0.019 0.000 2.354 56 D HA 0.010 4.665 4.640 0.025 0.000 0.209 56 D C 0.698 177.016 176.300 0.029 0.000 1.015 56 D CA 0.321 54.336 54.000 0.025 0.000 0.867 56 D CB 0.170 40.984 40.800 0.023 0.000 0.933 56 D HN 0.093 nan 8.370 nan 0.000 0.520 57 S N 1.161 116.875 115.700 0.024 0.000 2.558 57 S HA 0.017 4.501 4.470 0.025 0.000 0.288 57 S C -1.605 173.012 174.600 0.028 0.000 1.318 57 S CA -1.074 57.141 58.200 0.024 0.000 1.056 57 S CB 1.408 64.618 63.200 0.015 0.000 0.853 57 S HN -0.127 nan 8.310 nan 0.000 0.505 58 P HA -0.051 nan 4.420 nan 0.000 0.223 58 P C 1.382 178.691 177.300 0.016 0.000 1.144 58 P CA 0.837 63.964 63.100 0.045 0.000 0.783 58 P CB 0.024 31.763 31.700 0.064 0.000 0.771 59 T N -1.224 113.329 114.554 -0.002 0.000 3.035 59 T HA -0.083 4.282 4.350 0.025 0.000 0.268 59 T C 1.179 175.875 174.700 -0.008 0.000 1.109 59 T CA 0.976 63.065 62.100 -0.018 0.000 1.119 59 T CB -0.513 68.341 68.868 -0.023 0.000 0.900 59 T HN 0.005 nan 8.240 nan 0.000 0.503 60 Q N 1.319 121.122 119.800 0.005 0.000 2.237 60 Q HA 0.252 4.607 4.340 0.025 0.000 0.252 60 Q C 0.225 176.234 176.000 0.015 0.000 0.877 60 Q CA -0.219 55.589 55.803 0.008 0.000 1.011 60 Q CB -0.046 28.699 28.738 0.011 0.000 1.118 60 Q HN 0.250 nan 8.270 nan 0.000 0.458 61 R N 1.343 121.853 120.500 0.017 0.000 2.614 61 R HA -0.056 4.299 4.340 0.025 0.000 0.335 61 R C -0.357 175.956 176.300 0.023 0.000 0.859 61 R CA 0.174 56.291 56.100 0.027 0.000 1.123 61 R CB -0.296 30.019 30.300 0.026 0.000 0.887 61 R HN 0.016 nan 8.270 nan 0.000 0.407 62 V N 6.715 126.647 119.914 0.029 0.000 2.229 62 V HA 0.538 4.673 4.120 0.025 0.000 0.245 62 V C 0.569 176.679 176.094 0.028 0.000 1.243 62 V CA 1.330 63.645 62.300 0.026 0.000 1.176 62 V CB -0.750 31.089 31.823 0.027 0.000 1.323 62 V HN 1.062 nan 8.190 nan 0.000 0.499 63 G N 4.428 113.242 108.800 0.022 0.000 2.483 63 G HA2 0.240 4.215 3.960 0.025 0.000 0.521 63 G HA3 0.240 4.215 3.960 0.025 0.000 0.521 63 G C 0.085 174.998 174.900 0.022 0.000 1.278 63 G CA -0.332 44.781 45.100 0.022 0.000 0.965 63 G HN 1.922 nan 8.290 nan 0.000 0.504 64 A N -0.095 122.739 122.820 0.023 0.000 2.553 64 A HA 0.644 4.979 4.320 0.025 0.000 0.258 64 A C 1.144 178.739 177.584 0.018 0.000 1.069 64 A CA 1.748 53.796 52.037 0.018 0.000 0.767 64 A CB -0.450 18.563 19.000 0.022 0.000 0.997 64 A HN 2.490 nan 8.150 nan 0.000 0.512 65 A N 5.062 127.883 122.820 0.001 0.000 2.304 65 A HA 0.694 5.028 4.320 0.025 0.000 0.271 65 A C -1.786 175.741 177.584 -0.094 0.000 1.091 65 A CA -1.486 50.544 52.037 -0.011 0.000 0.812 65 A CB -0.162 18.851 19.000 0.022 0.000 1.056 65 A HN 0.771 nan 8.150 nan 0.000 0.489 66 P HA 0.187 nan 4.420 nan 0.000 0.268 66 P C -0.563 176.462 177.300 -0.457 0.000 1.204 66 P CA 0.064 62.821 63.100 -0.571 0.000 0.768 66 P CB 0.332 31.315 31.700 -1.195 0.000 0.842 67 L N 1.705 122.701 121.223 -0.379 0.000 2.485 67 L HA 0.358 4.712 4.340 0.025 0.000 0.275 67 L C 0.871 177.559 176.870 -0.302 0.000 1.207 67 L CA 0.094 54.784 54.840 -0.249 0.000 0.855 67 L CB -0.124 41.846 42.059 -0.148 0.000 1.114 67 L HN 0.510 nan 8.230 nan 0.000 0.485 68 A N 2.137 124.817 122.820 -0.233 0.000 2.549 68 A HA 0.771 5.106 4.320 0.025 0.000 0.297 68 A C -0.315 177.123 177.584 -0.243 0.000 1.061 68 A CA -0.382 51.539 52.037 -0.193 0.000 0.690 68 A CB 1.358 20.365 19.000 0.012 0.000 1.287 68 A HN 0.808 nan 8.150 nan 0.000 0.402 69 A N 0.749 123.465 122.820 -0.173 0.000 2.547 69 A HA 0.480 4.814 4.320 0.025 0.000 0.233 69 A C -0.318 177.164 177.584 -0.170 0.000 1.067 69 A CA 0.273 52.218 52.037 -0.153 0.000 0.763 69 A CB -0.413 18.564 19.000 -0.039 0.000 1.007 69 A HN 0.768 nan 8.150 nan 0.000 0.506 70 F N 1.237 121.187 119.950 -0.000 0.000 2.484 70 F HA 0.372 4.913 4.527 0.024 0.000 0.360 70 F C 1.216 177.010 175.800 -0.010 0.000 1.101 70 F CA 1.033 59.030 58.000 -0.005 0.000 1.251 70 F CB 1.107 40.107 39.000 0.000 0.000 1.132 70 F HN 0.578 nan 8.300 nan 0.000 0.570 71 S N 2.122 117.931 115.700 0.182 0.000 2.786 71 S HA 0.588 5.073 4.470 0.025 0.000 0.307 71 S C -0.705 173.938 174.600 0.072 0.000 1.121 71 S CA -0.632 57.619 58.200 0.084 0.000 0.975 71 S CB 1.197 64.412 63.200 0.024 0.000 1.220 71 S HN 0.665 nan 8.310 nan 0.000 0.550 72 Q N 0.197 120.010 119.800 0.022 0.000 2.416 72 Q HA 0.640 4.995 4.340 0.025 0.000 0.279 72 Q C -1.284 174.688 176.000 -0.046 0.000 1.101 72 Q CA -0.736 55.060 55.803 -0.012 0.000 0.830 72 Q CB 2.122 30.848 28.738 -0.020 0.000 1.402 72 Q HN 0.626 nan 8.270 nan 0.000 0.445 73 I N 0.980 121.492 120.570 -0.096 0.000 2.569 73 I HA 0.397 4.582 4.170 0.025 0.000 0.290 73 I C -0.689 175.258 176.117 -0.283 0.000 1.088 73 I CA -0.658 60.559 61.300 -0.138 0.000 1.047 73 I CB 2.398 40.337 38.000 -0.102 0.000 1.237 73 I HN 0.373 nan 8.210 nan 0.000 0.421 74 R N 4.360 124.731 120.500 -0.215 0.000 2.410 74 R HA 0.358 4.713 4.340 0.025 0.000 0.288 74 R C -0.839 175.321 176.300 -0.233 0.000 1.051 74 R CA -0.474 55.482 56.100 -0.241 0.000 1.021 74 R CB 0.620 30.860 30.300 -0.100 0.000 1.032 74 R HN 0.472 nan 8.270 nan 0.000 0.481 75 H N 3.178 122.250 119.070 0.003 0.000 2.597 75 H HA 0.025 4.596 4.556 0.025 0.000 0.303 75 H C 0.330 175.659 175.328 0.002 0.000 1.057 75 H CA -0.289 55.763 56.048 0.006 0.000 1.261 75 H CB 1.636 31.404 29.762 0.011 0.000 1.397 75 H HN 0.788 nan 8.280 nan 0.000 0.461 76 E N 2.921 123.187 120.200 0.110 0.000 2.038 76 E HA -0.087 4.278 4.350 0.025 0.000 0.195 76 E C -0.103 176.532 176.600 0.059 0.000 1.000 76 E CA 0.819 57.257 56.400 0.063 0.000 0.803 76 E CB 0.423 30.153 29.700 0.050 0.000 0.750 76 E HN 0.230 nan 8.360 nan 0.000 0.448 77 V N 3.242 123.198 119.914 0.069 0.000 2.406 77 V HA 0.205 4.340 4.120 0.025 0.000 0.272 77 V C -2.227 173.882 176.094 0.024 0.000 1.043 77 V CA -1.623 60.694 62.300 0.029 0.000 0.915 77 V CB 0.912 32.763 31.823 0.045 0.000 0.988 77 V HN 0.197 nan 8.190 nan 0.000 0.466 78 P HA 0.122 nan 4.420 nan 0.000 0.266 78 P C -0.331 176.938 177.300 -0.051 0.000 1.195 78 P CA 0.233 63.313 63.100 -0.032 0.000 0.768 78 P CB 0.322 31.963 31.700 -0.098 0.000 0.838 79 M N 3.345 122.908 119.600 -0.061 0.000 2.289 79 M HA 0.223 4.718 4.480 0.025 0.000 0.354 79 M C -0.070 176.222 176.300 -0.013 0.000 1.210 79 M CA -0.228 55.032 55.300 -0.065 0.000 1.174 79 M CB -0.081 32.407 32.600 -0.187 0.000 1.297 79 M HN 0.234 nan 8.290 nan 0.000 0.423 80 L N -0.200 121.026 121.223 0.005 0.000 2.891 80 L HA 0.546 4.901 4.340 0.025 0.000 0.216 80 L C 0.821 177.685 176.870 -0.010 0.000 1.209 80 L CA -0.539 54.301 54.840 0.000 0.000 0.957 80 L CB 0.697 42.766 42.059 0.017 0.000 1.876 80 L HN 0.479 nan 8.230 nan 0.000 0.532 81 S N -1.054 114.626 115.700 -0.033 0.000 2.713 81 S HA 0.719 5.204 4.470 0.025 0.000 0.296 81 S C -0.712 173.813 174.600 -0.124 0.000 1.114 81 S CA -0.594 57.565 58.200 -0.069 0.000 0.997 81 S CB 1.415 64.577 63.200 -0.063 0.000 1.249 81 S HN 0.238 nan 8.310 nan 0.000 0.534 82 L N 1.189 122.316 121.223 -0.161 0.000 2.401 82 L HA 0.465 4.819 4.340 0.025 0.000 0.266 82 L C -1.304 175.423 176.870 -0.239 0.000 0.991 82 L CA -0.871 53.827 54.840 -0.236 0.000 0.818 82 L CB 2.015 43.917 42.059 -0.262 0.000 1.321 82 L HN 0.466 nan 8.230 nan 0.000 0.413 83 D N 2.003 122.225 120.400 -0.296 0.000 2.350 83 D HA 0.192 4.846 4.640 0.025 0.000 0.249 83 D C -0.441 175.632 176.300 -0.378 0.000 1.119 83 D CA -0.032 53.791 54.000 -0.294 0.000 0.886 83 D CB 1.008 41.623 40.800 -0.308 0.000 1.195 83 D HN 0.318 nan 8.370 nan 0.000 0.437 84 N N 0.618 119.097 118.700 -0.368 0.000 2.487 84 N HA 0.400 5.155 4.740 0.025 0.000 0.292 84 N C -0.454 174.649 175.510 -0.679 0.000 1.108 84 N CA -0.470 52.251 53.050 -0.549 0.000 0.956 84 N CB 1.970 40.080 38.487 -0.627 0.000 1.176 84 N HN 0.150 nan 8.380 nan 0.000 0.484 85 V N -1.361 118.074 119.914 -0.799 0.000 2.709 85 V HA 0.570 4.705 4.120 0.025 0.000 0.308 85 V C -0.465 175.183 176.094 -0.743 0.000 1.062 85 V CA -0.699 61.167 62.300 -0.724 0.000 0.901 85 V CB 1.343 32.721 31.823 -0.742 0.000 1.003 85 V HN 0.512 nan 8.190 nan 0.000 0.425 86 F N 1.537 121.412 119.950 -0.124 0.000 2.706 86 F HA 0.399 4.940 4.527 0.023 0.000 0.308 86 F C 0.561 176.466 175.800 0.175 0.000 1.095 86 F CA -0.130 57.916 58.000 0.077 0.000 1.244 86 F CB 0.530 39.561 39.000 0.052 0.000 1.063 86 F HN 0.842 nan 8.300 nan 0.000 0.582 87 D N -2.297 118.191 120.400 0.146 0.000 2.615 87 D HA 0.130 4.785 4.640 0.025 0.000 0.267 87 D C 0.549 176.845 176.300 -0.006 0.000 1.236 87 D CA -0.726 53.373 54.000 0.165 0.000 0.839 87 D CB 0.614 41.502 40.800 0.147 0.000 1.380 87 D HN -0.062 nan 8.370 nan 0.000 0.433 88 E N -0.233 120.038 120.200 0.118 0.000 2.130 88 E HA -0.336 4.029 4.350 0.025 0.000 0.196 88 E C 1.396 178.025 176.600 0.048 0.000 0.998 88 E CA 1.615 58.073 56.400 0.097 0.000 0.806 88 E CB 0.195 29.979 29.700 0.140 0.000 0.738 88 E HN 0.621 nan 8.360 nan 0.000 0.459 89 E N -0.261 119.955 120.200 0.026 0.000 2.072 89 E HA -0.133 4.232 4.350 0.025 0.000 0.190 89 E C 2.013 178.583 176.600 -0.050 0.000 0.982 89 E CA 1.414 57.815 56.400 0.002 0.000 0.803 89 E CB -0.008 29.698 29.700 0.011 0.000 0.755 89 E HN 0.097 nan 8.360 nan 0.000 0.453 90 S N 0.226 115.876 115.700 -0.083 0.000 2.383 90 S HA -0.171 4.314 4.470 0.025 0.000 0.229 90 S C 1.532 176.006 174.600 -0.211 0.000 1.030 90 S CA 1.257 59.371 58.200 -0.143 0.000 1.002 90 S CB -0.471 62.625 63.200 -0.175 0.000 0.829 90 S HN 0.412 nan 8.310 nan 0.000 0.467 91 F N 2.214 121.913 119.950 -0.420 0.000 2.146 91 F HA 0.033 4.575 4.527 0.026 0.000 0.298 91 F C 1.754 177.439 175.800 -0.193 0.000 1.096 91 F CA 1.021 58.769 58.000 -0.420 0.000 1.275 91 F CB -0.357 38.270 39.000 -0.621 0.000 1.008 91 F HN 0.075 nan 8.300 nan 0.000 0.480 92 L N -0.148 120.974 121.223 -0.170 0.000 2.131 92 L HA -0.187 4.168 4.340 0.025 0.000 0.210 92 L C 2.743 179.480 176.870 -0.222 0.000 1.092 92 L CA 1.024 55.756 54.840 -0.180 0.000 0.759 92 L CB -1.198 40.842 42.059 -0.032 0.000 0.903 92 L HN 0.253 nan 8.230 nan 0.000 0.435 93 A N 0.024 122.739 122.820 -0.175 0.000 1.873 93 A HA -0.249 4.085 4.320 0.025 0.000 0.215 93 A C 2.218 179.707 177.584 -0.158 0.000 1.186 93 A CA 1.331 53.288 52.037 -0.133 0.000 0.616 93 A CB -0.820 18.125 19.000 -0.091 0.000 0.823 93 A HN 0.427 nan 8.150 nan 0.000 0.442 94 F N 1.336 121.051 119.950 -0.391 0.000 2.095 94 F HA -0.275 4.267 4.527 0.026 0.000 0.298 94 F C 2.116 177.676 175.800 -0.400 0.000 1.104 94 F CA 2.061 59.809 58.000 -0.419 0.000 1.232 94 F CB -0.175 38.476 39.000 -0.581 0.000 0.987 94 F HN 0.363 nan 8.300 nan 0.000 0.475 95 N N 0.870 119.105 118.700 -0.775 0.000 2.104 95 N HA -0.260 4.494 4.740 0.025 0.000 0.190 95 N C 1.840 177.153 175.510 -0.329 0.000 1.024 95 N CA 1.850 54.527 53.050 -0.622 0.000 0.853 95 N CB -0.391 37.789 38.487 -0.512 0.000 1.008 95 N HN 0.376 nan 8.380 nan 0.000 0.424 96 K N 0.137 120.384 120.400 -0.256 0.000 2.057 96 K HA -0.047 4.288 4.320 0.025 0.000 0.207 96 K C 2.116 178.621 176.600 -0.157 0.000 1.049 96 K CA 0.959 57.152 56.287 -0.157 0.000 0.931 96 K CB -0.013 32.418 32.500 -0.116 0.000 0.714 96 K HN 0.168 nan 8.250 nan 0.000 0.440 97 R N 0.091 120.480 120.500 -0.185 0.000 2.083 97 R HA -0.124 4.230 4.340 0.025 0.000 0.237 97 R C 2.267 178.468 176.300 -0.166 0.000 1.137 97 R CA 1.623 57.637 56.100 -0.144 0.000 0.951 97 R CB -0.447 29.795 30.300 -0.098 0.000 0.851 97 R HN 0.088 nan 8.270 nan 0.000 0.434 98 V N 1.299 121.044 119.914 -0.282 0.000 2.343 98 V HA -0.247 3.887 4.120 0.025 0.000 0.247 98 V C 2.494 178.496 176.094 -0.154 0.000 1.051 98 V CA 1.650 63.812 62.300 -0.230 0.000 1.036 98 V CB -0.485 31.156 31.823 -0.304 0.000 0.654 98 V HN 0.323 nan 8.190 nan 0.000 0.451 99 Q N -0.144 119.570 119.800 -0.144 0.000 1.965 99 Q HA -0.193 4.161 4.340 0.025 0.000 0.200 99 Q C 2.163 178.112 176.000 -0.085 0.000 0.981 99 Q CA 1.680 57.421 55.803 -0.104 0.000 0.834 99 Q CB -0.704 27.985 28.738 -0.082 0.000 0.900 99 Q HN 0.609 nan 8.270 nan 0.000 0.426 100 D N 0.442 120.794 120.400 -0.080 0.000 2.172 100 D HA -0.191 4.464 4.640 0.025 0.000 0.196 100 D C 1.933 178.199 176.300 -0.055 0.000 0.999 100 D CA 1.056 55.019 54.000 -0.061 0.000 0.856 100 D CB -0.155 40.611 40.800 -0.058 0.000 0.934 100 D HN 0.189 nan 8.370 nan 0.000 0.453 101 R N 0.173 120.635 120.500 -0.062 0.000 2.078 101 R HA 0.005 4.360 4.340 0.025 0.000 0.224 101 R C 0.798 177.068 176.300 -0.050 0.000 1.149 101 R CA 0.228 56.298 56.100 -0.049 0.000 0.916 101 R CB -0.457 29.815 30.300 -0.046 0.000 0.821 101 R HN 0.081 nan 8.270 nan 0.000 0.434 102 L N 2.520 123.705 121.223 -0.064 0.000 2.628 102 L HA -0.112 4.242 4.340 0.025 0.000 0.292 102 L C 0.182 177.017 176.870 -0.057 0.000 1.250 102 L CA 0.346 55.146 54.840 -0.067 0.000 0.892 102 L CB -0.014 41.990 42.059 -0.092 0.000 1.138 102 L HN 0.139 nan 8.230 nan 0.000 0.502 103 K N 4.628 124.998 120.400 -0.050 0.000 2.244 103 K HA 0.131 4.465 4.320 0.025 0.000 0.263 103 K C 0.120 176.693 176.600 -0.046 0.000 1.103 103 K CA -0.188 56.074 56.287 -0.043 0.000 0.966 103 K CB -0.230 32.249 32.500 -0.034 0.000 1.429 103 K HN 0.516 nan 8.250 nan 0.000 0.434 104 N N 2.368 121.039 118.700 -0.048 0.000 2.708 104 N HA -0.248 4.507 4.740 0.025 0.000 0.249 104 N C -0.705 174.771 175.510 -0.056 0.000 1.097 104 N CA 0.826 53.847 53.050 -0.048 0.000 0.710 104 N CB -1.172 37.292 38.487 -0.038 0.000 1.032 104 N HN 0.577 nan 8.380 nan 0.000 0.551 105 N N 0.922 119.580 118.700 -0.069 0.000 2.322 105 N HA 0.028 4.783 4.740 0.025 0.000 0.216 105 N C 0.966 176.418 175.510 -0.097 0.000 1.144 105 N CA -0.189 52.811 53.050 -0.082 0.000 0.830 105 N CB 0.333 38.765 38.487 -0.092 0.000 1.034 105 N HN 0.142 nan 8.380 nan 0.000 0.484 106 E N 0.591 120.741 120.200 -0.083 0.000 2.722 106 E HA -0.322 4.043 4.350 0.025 0.000 0.245 106 E C 0.759 177.294 176.600 -0.108 0.000 1.004 106 E CA 1.492 57.843 56.400 -0.083 0.000 1.405 106 E CB -0.694 28.970 29.700 -0.061 0.000 1.325 106 E HN 0.214 nan 8.360 nan 0.000 0.479 107 K N 2.001 122.338 120.400 -0.105 0.000 1.916 107 K HA 0.030 4.365 4.320 0.025 0.000 0.229 107 K C -1.136 175.351 176.600 -0.188 0.000 1.141 107 K CA 0.162 56.375 56.287 -0.123 0.000 1.235 107 K CB -0.472 31.968 32.500 -0.100 0.000 1.022 107 K HN -0.098 nan 8.250 nan 0.000 0.309 108 V N 4.052 123.815 119.914 -0.252 0.000 2.333 108 V HA 0.208 4.343 4.120 0.025 0.000 0.274 108 V C 0.004 175.772 176.094 -0.544 0.000 1.028 108 V CA -0.604 61.433 62.300 -0.438 0.000 0.851 108 V CB 1.554 33.044 31.823 -0.555 0.000 1.000 108 V HN 0.596 nan 8.190 nan 0.000 0.456 109 T N 4.797 119.058 114.554 -0.489 0.000 2.829 109 T HA 0.431 4.796 4.350 0.025 0.000 0.282 109 T C -0.663 173.772 174.700 -0.441 0.000 0.990 109 T CA -0.187 61.691 62.100 -0.369 0.000 1.028 109 T CB 0.739 69.499 68.868 -0.180 0.000 0.951 109 T HN 0.578 nan 8.240 nan 0.000 0.460 110 W N 1.862 123.168 121.300 0.010 0.000 2.361 110 W HA 0.514 5.189 4.660 0.025 0.000 0.309 110 W C 0.366 176.867 176.519 -0.029 0.000 1.122 110 W CA -0.888 56.472 57.345 0.024 0.000 1.208 110 W CB 0.739 30.242 29.460 0.073 0.000 1.246 110 W HN 0.554 nan 8.180 nan 0.000 0.490 111 C N 4.868 124.300 119.300 0.220 0.000 2.285 111 C HA 0.719 5.194 4.460 0.025 0.000 0.335 111 C C 0.113 175.127 174.990 0.041 0.000 1.267 111 C CA -0.435 58.642 59.018 0.098 0.000 1.762 111 C CB -1.602 26.223 27.740 0.141 0.000 2.365 111 C HN 0.710 nan 8.230 nan 0.000 0.527 112 C N 6.092 125.298 119.300 -0.157 0.000 2.379 112 C HA 0.734 5.209 4.460 0.025 0.000 0.323 112 C C -0.175 174.660 174.990 -0.257 0.000 1.262 112 C CA -0.463 58.342 59.018 -0.356 0.000 1.581 112 C CB 0.365 27.499 27.740 -1.010 0.000 2.221 112 C HN 0.893 nan 8.230 nan 0.000 0.497 113 E N 1.040 121.223 120.200 -0.028 0.000 2.416 113 E HA 0.535 4.900 4.350 0.025 0.000 0.273 113 E C -1.162 175.543 176.600 0.175 0.000 0.935 113 E CA -0.754 55.705 56.400 0.099 0.000 0.784 113 E CB 1.637 31.377 29.700 0.067 0.000 1.301 113 E HN 0.505 nan 8.360 nan 0.000 0.454 114 L N 1.436 122.746 121.223 0.145 0.000 2.417 114 L HA 0.285 4.640 4.340 0.025 0.000 0.268 114 L C 0.363 177.247 176.870 0.023 0.000 1.158 114 L CA -0.093 54.811 54.840 0.107 0.000 0.819 114 L CB 0.297 42.428 42.059 0.121 0.000 1.112 114 L HN 0.292 nan 8.230 nan 0.000 0.458 115 K N 3.619 124.012 120.400 -0.011 0.000 2.296 115 K HA 0.373 4.708 4.320 0.025 0.000 0.257 115 K C -0.701 175.869 176.600 -0.051 0.000 1.088 115 K CA -0.611 55.634 56.287 -0.071 0.000 0.980 115 K CB 0.396 32.830 32.500 -0.110 0.000 1.430 115 K HN 0.427 nan 8.250 nan 0.000 0.441 116 L N 2.666 123.839 121.223 -0.082 0.000 2.483 116 L HA 0.009 4.364 4.340 0.025 0.000 0.276 116 L C 0.358 177.163 176.870 -0.108 0.000 1.213 116 L CA 0.369 55.115 54.840 -0.156 0.000 0.843 116 L CB 0.436 42.289 42.059 -0.344 0.000 1.107 116 L HN 0.584 nan 8.230 nan 0.000 0.487 117 D N 1.613 121.952 120.400 -0.102 0.000 2.505 117 D HA 0.467 5.122 4.640 0.025 0.000 0.242 117 D C 0.213 176.519 176.300 0.011 0.000 1.136 117 D CA 0.195 54.178 54.000 -0.028 0.000 0.954 117 D CB 0.405 41.206 40.800 0.002 0.000 1.002 117 D HN 0.542 nan 8.370 nan 0.000 0.512 118 G N 1.996 110.825 108.800 0.048 0.000 3.495 118 G HA2 0.509 4.484 3.960 0.025 0.000 0.178 118 G HA3 0.509 4.484 3.960 0.025 0.000 0.178 118 G C -0.855 174.105 174.900 0.101 0.000 1.262 118 G CA -0.473 44.698 45.100 0.119 0.000 1.096 118 G HN 0.437 nan 8.290 nan 0.000 0.727 119 L N -2.268 119.037 121.223 0.138 0.000 2.466 119 L HA 0.929 5.284 4.340 0.025 0.000 0.258 119 L C -0.257 176.718 176.870 0.174 0.000 0.973 119 L CA -1.338 53.575 54.840 0.121 0.000 0.826 119 L CB 2.060 44.174 42.059 0.092 0.000 1.372 119 L HN 0.677 nan 8.230 nan 0.000 0.409 120 A N 2.099 125.020 122.820 0.167 0.000 2.401 120 A HA 0.693 5.028 4.320 0.025 0.000 0.259 120 A C -0.301 177.397 177.584 0.189 0.000 1.103 120 A CA -0.245 51.930 52.037 0.230 0.000 0.789 120 A CB 0.703 19.829 19.000 0.211 0.000 1.035 120 A HN 0.589 nan 8.150 nan 0.000 0.491 121 V N 1.858 121.907 119.914 0.225 0.000 2.760 121 V HA 0.505 4.640 4.120 0.025 0.000 0.309 121 V C 0.010 176.189 176.094 0.141 0.000 1.077 121 V CA -0.512 61.892 62.300 0.172 0.000 0.910 121 V CB 2.183 34.118 31.823 0.187 0.000 1.008 121 V HN 0.917 nan 8.190 nan 0.000 0.424 122 S N 4.997 120.737 115.700 0.067 0.000 2.456 122 S HA 0.734 5.219 4.470 0.025 0.000 0.316 122 S C -0.717 173.877 174.600 -0.009 0.000 1.089 122 S CA -0.467 57.754 58.200 0.035 0.000 1.101 122 S CB 0.355 63.554 63.200 -0.002 0.000 0.995 122 S HN 0.521 nan 8.310 nan 0.000 0.468 123 I N 5.048 125.590 120.570 -0.047 0.000 2.362 123 I HA 0.380 4.564 4.170 0.025 0.000 0.289 123 I C -0.659 175.326 176.117 -0.220 0.000 0.994 123 I CA -0.933 60.247 61.300 -0.199 0.000 1.158 123 I CB 1.590 39.402 38.000 -0.314 0.000 1.315 123 I HN 0.409 nan 8.210 nan 0.000 0.451 124 L N 8.087 129.155 121.223 -0.258 0.000 2.265 124 L HA 0.388 4.742 4.340 0.025 0.000 0.288 124 L C -1.385 175.282 176.870 -0.337 0.000 1.058 124 L CA 0.150 54.875 54.840 -0.191 0.000 0.809 124 L CB 0.179 42.172 42.059 -0.110 0.000 1.179 124 L HN 0.296 nan 8.230 nan 0.000 0.429 125 Y N 3.648 123.879 120.300 -0.115 0.000 2.328 125 Y HA 0.449 5.013 4.550 0.024 0.000 0.336 125 Y C -0.052 175.766 175.900 -0.136 0.000 0.960 125 Y CA -0.535 57.477 58.100 -0.147 0.000 1.134 125 Y CB 1.388 39.723 38.460 -0.208 0.000 1.166 125 Y HN 0.557 nan 8.280 nan 0.000 0.464 126 E N 2.777 122.984 120.200 0.013 0.000 2.113 126 E HA 0.234 4.598 4.350 0.025 0.000 0.273 126 E C -0.566 176.005 176.600 -0.047 0.000 0.924 126 E CA -0.573 55.807 56.400 -0.032 0.000 0.764 126 E CB 0.523 30.191 29.700 -0.055 0.000 1.104 126 E HN 0.717 nan 8.360 nan 0.000 0.406 127 N N 2.536 121.190 118.700 -0.076 0.000 2.727 127 N HA -0.280 4.475 4.740 0.025 0.000 0.249 127 N C 0.650 176.088 175.510 -0.119 0.000 1.048 127 N CA 0.352 53.341 53.050 -0.102 0.000 0.714 127 N CB -0.789 37.646 38.487 -0.085 0.000 0.959 127 N HN 0.944 nan 8.380 nan 0.000 0.544 128 G N -2.526 106.182 108.800 -0.155 0.000 2.184 128 G HA2 -0.327 3.648 3.960 0.025 0.000 0.264 128 G HA3 -0.327 3.648 3.960 0.025 0.000 0.264 128 G C 0.104 174.994 174.900 -0.016 0.000 0.975 128 G CA 0.377 45.355 45.100 -0.204 0.000 0.642 128 G HN 0.449 nan 8.290 nan 0.000 0.536 129 V N 1.621 121.572 119.914 0.062 0.000 2.398 129 V HA 0.541 4.676 4.120 0.025 0.000 0.286 129 V C 0.913 177.050 176.094 0.072 0.000 1.026 129 V CA -0.767 61.581 62.300 0.080 0.000 0.868 129 V CB 1.835 33.655 31.823 -0.005 0.000 0.982 129 V HN 0.402 nan 8.190 nan 0.000 0.443 130 L N 5.422 126.644 121.223 -0.001 0.000 2.500 130 L HA 0.143 4.498 4.340 0.025 0.000 0.272 130 L C 0.731 177.449 176.870 -0.254 0.000 1.149 130 L CA 0.336 54.934 54.840 -0.402 0.000 0.897 130 L CB 0.954 42.788 42.059 -0.376 0.000 1.178 130 L HN 0.610 nan 8.230 nan 0.000 0.473 131 V N 2.722 122.473 119.914 -0.272 0.000 2.908 131 V HA 0.149 4.283 4.120 0.025 0.000 0.240 131 V C 0.713 176.705 176.094 -0.170 0.000 1.117 131 V CA 0.951 63.146 62.300 -0.174 0.000 1.133 131 V CB 0.466 32.210 31.823 -0.132 0.000 0.857 131 V HN 0.877 nan 8.190 nan 0.000 0.478 132 S N -0.759 114.821 115.700 -0.200 0.000 2.625 132 S HA 0.884 5.368 4.470 0.025 0.000 0.271 132 S C -0.921 173.577 174.600 -0.170 0.000 1.161 132 S CA -0.108 58.001 58.200 -0.152 0.000 0.820 132 S CB 2.437 65.576 63.200 -0.101 0.000 1.137 132 S HN 0.932 nan 8.310 nan 0.000 0.470 133 A N 0.068 122.821 122.820 -0.111 0.000 2.488 133 A HA 0.969 5.304 4.320 0.025 0.000 0.298 133 A C -0.570 177.004 177.584 -0.016 0.000 1.044 133 A CA -0.356 51.626 52.037 -0.092 0.000 0.693 133 A CB 1.174 20.095 19.000 -0.131 0.000 1.272 133 A HN 2.102 nan 8.150 nan 0.000 0.402 134 A N 0.972 123.816 122.820 0.040 0.000 2.539 134 A HA 0.910 5.245 4.320 0.025 0.000 0.296 134 A C 0.171 177.836 177.584 0.136 0.000 1.073 134 A CA 0.099 52.196 52.037 0.100 0.000 0.700 134 A CB 0.878 19.974 19.000 0.160 0.000 1.296 134 A HN 1.938 nan 8.150 nan 0.000 0.405 135 T N -1.332 113.292 114.554 0.116 0.000 2.771 135 T HA 0.346 4.711 4.350 0.025 0.000 0.290 135 T C 1.177 175.993 174.700 0.194 0.000 1.005 135 T CA 0.160 62.325 62.100 0.109 0.000 0.944 135 T CB 0.647 69.545 68.868 0.051 0.000 1.147 135 T HN 0.780 nan 8.240 nan 0.000 0.534 136 R N -0.060 120.519 120.500 0.132 0.000 2.119 136 R HA 0.190 4.544 4.340 0.025 0.000 0.222 136 R C 1.611 178.029 176.300 0.196 0.000 1.088 136 R CA 1.168 57.351 56.100 0.137 0.000 0.984 136 R CB -1.199 29.135 30.300 0.057 0.000 0.884 136 R HN 1.039 nan 8.270 nan 0.000 0.447 137 G N 1.153 110.024 108.800 0.118 0.000 2.596 137 G HA2 -0.425 3.549 3.960 0.025 0.000 0.295 137 G HA3 -0.425 3.549 3.960 0.025 0.000 0.295 137 G C 0.006 174.943 174.900 0.062 0.000 1.240 137 G CA 0.634 45.778 45.100 0.074 0.000 0.985 137 G HN 0.642 nan 8.290 nan 0.000 0.555 138 D N 0.956 121.385 120.400 0.049 0.000 2.324 138 D HA 0.398 5.053 4.640 0.025 0.000 0.235 138 D C 1.710 178.035 176.300 0.041 0.000 1.095 138 D CA 1.275 55.293 54.000 0.030 0.000 0.871 138 D CB -0.203 40.602 40.800 0.009 0.000 0.906 138 D HN 2.112 nan 8.370 nan 0.000 0.522 139 G N -0.897 107.959 108.800 0.093 0.000 2.284 139 G HA2 -0.342 3.633 3.960 0.025 0.000 0.230 139 G HA3 -0.342 3.633 3.960 0.025 0.000 0.230 139 G C 1.266 176.287 174.900 0.203 0.000 1.021 139 G CA 0.476 45.638 45.100 0.104 0.000 0.619 139 G HN 0.403 nan 8.290 nan 0.000 0.510 140 T N 0.238 114.877 114.554 0.143 0.000 3.044 140 T HA 0.319 4.684 4.350 0.025 0.000 0.237 140 T C 0.866 175.549 174.700 -0.028 0.000 1.001 140 T CA 1.597 63.755 62.100 0.096 0.000 1.160 140 T CB 0.315 69.196 68.868 0.021 0.000 0.889 140 T HN 0.397 nan 8.240 nan 0.000 0.442 141 T N 1.821 116.340 114.554 -0.057 0.000 2.779 141 T HA 0.663 5.028 4.350 0.025 0.000 0.280 141 T C 0.007 174.637 174.700 -0.115 0.000 0.987 141 T CA -0.661 61.340 62.100 -0.164 0.000 0.966 141 T CB 1.659 70.477 68.868 -0.083 0.000 0.933 141 T HN 0.351 nan 8.240 nan 0.000 0.442 142 G N 1.208 109.883 108.800 -0.208 0.000 2.714 142 G HA2 0.628 4.603 3.960 0.025 0.000 0.292 142 G HA3 0.628 4.603 3.960 0.025 0.000 0.292 142 G C -1.215 173.661 174.900 -0.039 0.000 1.308 142 G CA -0.684 44.401 45.100 -0.024 0.000 0.964 142 G HN 0.667 nan 8.290 nan 0.000 0.484 143 E N -0.102 120.092 120.200 -0.011 0.000 2.331 143 E HA 0.146 4.511 4.350 0.025 0.000 0.272 143 E C -0.846 175.762 176.600 0.013 0.000 1.036 143 E CA -0.475 55.912 56.400 -0.022 0.000 0.864 143 E CB 0.923 30.558 29.700 -0.108 0.000 1.035 143 E HN 0.330 nan 8.360 nan 0.000 0.408 144 D N 4.667 125.100 120.400 0.055 0.000 2.336 144 D HA 0.061 4.716 4.640 0.025 0.000 0.249 144 D C 0.265 176.645 176.300 0.133 0.000 1.213 144 D CA -0.186 53.853 54.000 0.064 0.000 0.870 144 D CB 0.325 41.153 40.800 0.048 0.000 1.076 144 D HN 0.507 nan 8.370 nan 0.000 0.483 145 I N 0.900 121.518 120.570 0.080 0.000 3.654 145 I HA 0.158 4.343 4.170 0.025 0.000 0.337 145 I C 0.982 177.123 176.117 0.040 0.000 1.568 145 I CA -0.628 60.739 61.300 0.112 0.000 1.115 145 I CB 0.295 38.331 38.000 0.060 0.000 1.300 145 I HN 0.002 nan 8.210 nan 0.000 0.471 146 T N 0.867 115.422 114.554 0.002 0.000 2.665 146 T HA -0.183 4.182 4.350 0.025 0.000 0.268 146 T C 2.046 176.716 174.700 -0.049 0.000 1.035 146 T CA 2.419 64.487 62.100 -0.053 0.000 1.151 146 T CB -0.176 68.646 68.868 -0.076 0.000 0.862 146 T HN 0.549 nan 8.240 nan 0.000 0.438 147 S N 1.947 117.631 115.700 -0.027 0.000 2.370 147 S HA -0.149 4.336 4.470 0.025 0.000 0.226 147 S C 2.071 176.661 174.600 -0.016 0.000 1.033 147 S CA 1.488 59.670 58.200 -0.030 0.000 1.011 147 S CB -0.530 62.649 63.200 -0.035 0.000 0.852 147 S HN 0.553 nan 8.310 nan 0.000 0.457 148 N N 1.103 119.813 118.700 0.017 0.000 2.142 148 N HA -0.022 4.732 4.740 0.025 0.000 0.186 148 N C 1.561 177.055 175.510 -0.026 0.000 1.023 148 N CA 0.845 53.904 53.050 0.016 0.000 0.852 148 N CB -0.562 37.961 38.487 0.061 0.000 0.998 148 N HN 0.146 nan 8.380 nan 0.000 0.424 149 V N 1.110 120.994 119.914 -0.050 0.000 2.490 149 V HA -0.168 3.967 4.120 0.025 0.000 0.250 149 V C 2.076 178.101 176.094 -0.115 0.000 1.061 149 V CA 1.416 63.654 62.300 -0.105 0.000 1.064 149 V CB -0.443 31.290 31.823 -0.149 0.000 0.670 149 V HN 0.281 nan 8.190 nan 0.000 0.461 150 R N 0.420 120.865 120.500 -0.092 0.000 2.152 150 R HA -0.134 4.221 4.340 0.025 0.000 0.232 150 R C 2.271 178.533 176.300 -0.063 0.000 1.117 150 R CA 1.746 57.797 56.100 -0.083 0.000 0.981 150 R CB -0.515 29.744 30.300 -0.068 0.000 0.870 150 R HN 0.740 nan 8.270 nan 0.000 0.451 151 T N -1.747 112.774 114.554 -0.054 0.000 3.113 151 T HA 0.127 4.492 4.350 0.025 0.000 0.256 151 T C 0.851 175.520 174.700 -0.052 0.000 1.131 151 T CA 0.109 62.184 62.100 -0.042 0.000 1.074 151 T CB -0.081 68.770 68.868 -0.029 0.000 0.944 151 T HN 0.010 nan 8.240 nan 0.000 0.516 152 I N 3.119 123.645 120.570 -0.073 0.000 2.347 152 I HA 0.220 4.405 4.170 0.025 0.000 0.294 152 I C 1.407 177.479 176.117 -0.074 0.000 1.090 152 I CA -1.048 60.201 61.300 -0.085 0.000 1.314 152 I CB 0.863 38.793 38.000 -0.117 0.000 1.423 152 I HN 0.031 nan 8.210 nan 0.000 0.503 153 R N 5.083 125.548 120.500 -0.058 0.000 2.119 153 R HA -0.219 4.136 4.340 0.025 0.000 0.246 153 R C 1.998 178.279 176.300 -0.031 0.000 1.146 153 R CA 1.651 57.728 56.100 -0.038 0.000 0.962 153 R CB -1.180 29.101 30.300 -0.032 0.000 0.863 153 R HN 0.746 nan 8.270 nan 0.000 0.442 154 A N 1.218 124.012 122.820 -0.044 0.000 2.067 154 A HA 0.007 4.342 4.320 0.025 0.000 0.219 154 A C 1.295 178.892 177.584 0.021 0.000 1.158 154 A CA 0.496 52.526 52.037 -0.011 0.000 0.661 154 A CB -0.261 18.715 19.000 -0.040 0.000 0.801 154 A HN 0.190 nan 8.150 nan 0.000 0.452 155 I N 2.530 123.077 120.570 -0.038 0.000 2.291 155 I HA 0.183 4.368 4.170 0.025 0.000 0.292 155 I C -2.112 173.997 176.117 -0.014 0.000 1.064 155 I CA -2.123 59.138 61.300 -0.065 0.000 1.269 155 I CB 1.193 39.048 38.000 -0.241 0.000 1.418 155 I HN 0.127 nan 8.210 nan 0.000 0.485 156 P HA 0.069 nan 4.420 nan 0.000 0.271 156 P C 0.556 177.908 177.300 0.087 0.000 1.216 156 P CA -0.140 62.981 63.100 0.036 0.000 0.776 156 P CB 1.365 33.061 31.700 -0.007 0.000 0.881 157 L N 1.214 122.466 121.223 0.050 0.000 2.478 157 L HA 0.005 4.360 4.340 0.025 0.000 0.223 157 L C 1.117 178.049 176.870 0.103 0.000 1.140 157 L CA 0.975 55.845 54.840 0.050 0.000 0.842 157 L CB -0.473 41.589 42.059 0.005 0.000 0.953 157 L HN 0.493 nan 8.230 nan 0.000 0.452 158 K N 0.135 120.579 120.400 0.073 0.000 2.543 158 K HA 0.404 4.739 4.320 0.025 0.000 0.255 158 K C -1.187 175.338 176.600 -0.125 0.000 0.934 158 K CA -0.625 55.670 56.287 0.014 0.000 0.810 158 K CB 1.706 34.208 32.500 0.003 0.000 1.315 158 K HN -0.100 nan 8.250 nan 0.000 0.433 159 L N 2.675 123.724 121.223 -0.289 0.000 2.468 159 L HA 0.352 4.707 4.340 0.025 0.000 0.254 159 L C 1.737 178.473 176.870 -0.224 0.000 1.171 159 L CA -0.451 54.132 54.840 -0.429 0.000 0.809 159 L CB 0.349 41.982 42.059 -0.710 0.000 1.155 159 L HN 0.969 nan 8.230 nan 0.000 0.473 160 H N -0.985 118.051 119.070 -0.057 0.000 3.207 160 H HA 0.204 4.774 4.556 0.024 0.000 0.237 160 H C 0.936 176.303 175.328 0.065 0.000 0.959 160 H CA 0.237 56.284 56.048 -0.002 0.000 1.091 160 H CB 0.187 29.967 29.762 0.030 0.000 1.447 160 H HN 0.654 nan 8.280 nan 0.000 0.477 161 G N 1.599 110.736 108.800 0.561 0.000 2.379 161 G HA2 0.046 4.021 3.960 0.025 0.000 0.287 161 G HA3 0.046 4.021 3.960 0.025 0.000 0.287 161 G C -0.062 175.043 174.900 0.341 0.000 1.422 161 G CA -0.366 45.037 45.100 0.505 0.000 1.081 161 G HN 0.397 nan 8.290 nan 0.000 0.569 162 E N 0.109 120.554 120.200 0.409 0.000 2.283 162 E HA 0.150 4.515 4.350 0.025 0.000 0.267 162 E C -0.144 176.664 176.600 0.346 0.000 1.045 162 E CA -0.628 55.933 56.400 0.269 0.000 0.884 162 E CB 0.664 30.478 29.700 0.190 0.000 1.106 162 E HN 0.426 nan 8.360 nan 0.000 0.408 163 N N 0.883 119.686 118.700 0.173 0.000 2.721 163 N HA -0.216 4.539 4.740 0.025 0.000 0.249 163 N C -0.601 174.946 175.510 0.063 0.000 1.072 163 N CA 0.750 53.894 53.050 0.156 0.000 0.710 163 N CB -1.359 37.267 38.487 0.230 0.000 0.993 163 N HN 0.481 nan 8.380 nan 0.000 0.547 164 I N 2.006 122.439 120.570 -0.229 0.000 2.587 164 I HA 0.041 4.226 4.170 0.025 0.000 0.284 164 I C -1.198 174.757 176.117 -0.271 0.000 1.134 164 I CA -1.009 59.938 61.300 -0.588 0.000 1.410 164 I CB 0.302 37.921 38.000 -0.636 0.000 1.392 164 I HN -0.075 nan 8.210 nan 0.000 0.545 165 P HA 0.031 nan 4.420 nan 0.000 0.270 165 P C 0.326 177.569 177.300 -0.095 0.000 1.223 165 P CA -0.254 62.799 63.100 -0.079 0.000 0.785 165 P CB 0.937 32.635 31.700 -0.004 0.000 0.923 166 A N 3.411 126.200 122.820 -0.052 0.000 1.883 166 A HA -0.137 4.198 4.320 0.025 0.000 0.217 166 A C 1.104 178.661 177.584 -0.046 0.000 1.186 166 A CA 1.356 53.362 52.037 -0.052 0.000 0.624 166 A CB -0.408 18.573 19.000 -0.033 0.000 0.822 166 A HN 0.585 nan 8.150 nan 0.000 0.444 167 R N -1.523 118.963 120.500 -0.023 0.000 2.502 167 R HA 0.588 4.943 4.340 0.025 0.000 0.300 167 R C -1.950 174.358 176.300 0.013 0.000 0.984 167 R CA -0.499 55.596 56.100 -0.008 0.000 0.882 167 R CB 1.809 32.110 30.300 0.001 0.000 1.180 167 R HN 0.268 nan 8.270 nan 0.000 0.444 168 L N 1.896 123.132 121.223 0.022 0.000 2.441 168 L HA 0.374 4.729 4.340 0.025 0.000 0.270 168 L C -1.003 175.913 176.870 0.076 0.000 0.973 168 L CA -0.206 54.660 54.840 0.044 0.000 0.842 168 L CB 1.918 43.961 42.059 -0.027 0.000 1.239 168 L HN 0.603 nan 8.230 nan 0.000 0.406 169 E N 4.119 124.369 120.200 0.082 0.000 2.109 169 E HA 0.478 4.842 4.350 0.025 0.000 0.278 169 E C -1.409 175.253 176.600 0.103 0.000 0.954 169 E CA -0.628 55.818 56.400 0.077 0.000 0.779 169 E CB 1.318 31.063 29.700 0.076 0.000 1.093 169 E HN 0.548 nan 8.360 nan 0.000 0.401 170 V N 5.636 125.607 119.914 0.095 0.000 2.407 170 V HA 0.374 4.509 4.120 0.025 0.000 0.278 170 V C 0.148 176.323 176.094 0.135 0.000 1.037 170 V CA -0.463 61.905 62.300 0.112 0.000 0.900 170 V CB 1.266 33.154 31.823 0.108 0.000 0.983 170 V HN 0.653 nan 8.190 nan 0.000 0.459 171 R N 2.753 123.302 120.500 0.081 0.000 2.514 171 R HA 0.797 5.152 4.340 0.025 0.000 0.301 171 R C 0.181 176.116 176.300 -0.607 0.000 0.962 171 R CA -0.271 55.748 56.100 -0.134 0.000 0.882 171 R CB 2.119 32.358 30.300 -0.101 0.000 1.143 171 R HN 0.950 nan 8.270 nan 0.000 0.452 172 G N 0.925 109.408 108.800 -0.530 0.000 2.554 172 G HA2 0.214 4.189 3.960 0.025 0.000 0.306 172 G HA3 0.214 4.189 3.960 0.025 0.000 0.306 172 G C -1.493 173.374 174.900 -0.054 0.000 1.320 172 G CA -0.564 44.079 45.100 -0.762 0.000 0.800 172 G HN 0.362 nan 8.290 nan 0.000 0.481 173 E N -0.270 119.918 120.200 -0.020 0.000 2.166 173 E HA 0.512 4.877 4.350 0.025 0.000 0.275 173 E C -0.759 176.044 176.600 0.338 0.000 0.941 173 E CA -0.494 56.051 56.400 0.242 0.000 0.784 173 E CB 2.646 32.487 29.700 0.236 0.000 1.115 173 E HN 0.177 nan 8.360 nan 0.000 0.399 174 V N 4.858 125.026 119.914 0.422 0.000 2.539 174 V HA 0.521 4.655 4.120 0.025 0.000 0.292 174 V C -0.359 175.943 176.094 0.347 0.000 1.045 174 V CA -0.175 62.349 62.300 0.373 0.000 0.945 174 V CB 0.440 32.409 31.823 0.244 0.000 0.993 174 V HN 0.587 nan 8.190 nan 0.000 0.464 175 F N 2.792 122.753 119.950 0.017 0.000 2.807 175 F HA 0.666 5.204 4.527 0.018 0.000 0.316 175 F C -1.798 173.987 175.800 -0.024 0.000 1.162 175 F CA -1.296 56.694 58.000 -0.018 0.000 0.910 175 F CB 1.489 40.461 39.000 -0.046 0.000 1.314 175 F HN 0.233 nan 8.300 nan 0.000 0.454 176 L N 3.804 125.113 121.223 0.144 0.000 2.280 176 L HA 0.513 4.868 4.340 0.025 0.000 0.287 176 L C -2.269 174.746 176.870 0.242 0.000 1.023 176 L CA -1.952 52.935 54.840 0.078 0.000 0.819 176 L CB 2.025 44.144 42.059 0.099 0.000 1.212 176 L HN 0.431 nan 8.230 nan 0.000 0.420 177 P HA 0.022 nan 4.420 nan 0.000 0.274 177 P C -0.059 177.400 177.300 0.265 0.000 1.246 177 P CA -0.378 62.932 63.100 0.349 0.000 0.795 177 P CB 1.125 33.002 31.700 0.295 0.000 1.006 178 Q N 2.182 122.132 119.800 0.250 0.000 2.133 178 Q HA -0.220 4.135 4.340 0.025 0.000 0.208 178 Q C 2.120 178.261 176.000 0.235 0.000 0.991 178 Q CA 2.852 58.793 55.803 0.230 0.000 0.867 178 Q CB -1.389 27.442 28.738 0.156 0.000 0.911 178 Q HN 0.571 nan 8.270 nan 0.000 0.417 179 A N -0.659 122.261 122.820 0.167 0.000 1.933 179 A HA -0.039 4.296 4.320 0.025 0.000 0.218 179 A C 2.262 179.913 177.584 0.112 0.000 1.175 179 A CA 1.619 53.729 52.037 0.121 0.000 0.628 179 A CB -1.202 17.852 19.000 0.090 0.000 0.814 179 A HN 0.548 nan 8.150 nan 0.000 0.444 180 G N -1.471 107.405 108.800 0.126 0.000 2.403 180 G HA2 -0.161 3.814 3.960 0.025 0.000 0.216 180 G HA3 -0.161 3.814 3.960 0.025 0.000 0.216 180 G C 1.467 176.444 174.900 0.128 0.000 1.154 180 G CA 0.975 46.132 45.100 0.094 0.000 0.784 180 G HN 0.542 nan 8.290 nan 0.000 0.538 181 F N 1.434 121.408 119.950 0.040 0.000 2.134 181 F HA 0.002 4.545 4.527 0.026 0.000 0.299 181 F C 2.628 178.471 175.800 0.072 0.000 1.097 181 F CA 1.847 59.877 58.000 0.048 0.000 1.264 181 F CB 0.114 39.153 39.000 0.064 0.000 1.001 181 F HN 0.208 nan 8.300 nan 0.000 0.479 182 E N 0.122 120.317 120.200 -0.009 0.000 2.152 182 E HA -0.199 4.166 4.350 0.025 0.000 0.192 182 E C 2.089 178.630 176.600 -0.098 0.000 0.983 182 E CA 0.646 56.974 56.400 -0.119 0.000 0.818 182 E CB -0.221 29.496 29.700 0.029 0.000 0.758 182 E HN 0.244 nan 8.360 nan 0.000 0.467 183 K N 1.534 121.915 120.400 -0.032 0.000 2.057 183 K HA -0.120 4.215 4.320 0.025 0.000 0.206 183 K C 1.942 178.525 176.600 -0.029 0.000 1.050 183 K CA 0.934 57.210 56.287 -0.018 0.000 0.935 183 K CB -0.163 32.342 32.500 0.008 0.000 0.715 183 K HN 0.152 nan 8.250 nan 0.000 0.439 184 I N 1.439 121.989 120.570 -0.034 0.000 2.315 184 I HA -0.264 3.921 4.170 0.025 0.000 0.248 184 I C 1.784 177.899 176.117 -0.003 0.000 1.117 184 I CA 0.890 62.197 61.300 0.013 0.000 1.404 184 I CB -0.288 37.745 38.000 0.055 0.000 1.071 184 I HN 0.134 nan 8.210 nan 0.000 0.419 185 N N 0.497 119.120 118.700 -0.128 0.000 2.270 185 N HA -0.178 4.577 4.740 0.025 0.000 0.181 185 N C 1.776 177.227 175.510 -0.098 0.000 1.016 185 N CA 0.906 53.866 53.050 -0.150 0.000 0.870 185 N CB -0.182 38.115 38.487 -0.317 0.000 0.979 185 N HN 0.284 nan 8.380 nan 0.000 0.431 186 E N 1.263 121.413 120.200 -0.083 0.000 2.110 186 E HA -0.137 4.228 4.350 0.025 0.000 0.193 186 E C 0.770 177.350 176.600 -0.034 0.000 0.988 186 E CA 1.386 57.756 56.400 -0.051 0.000 0.804 186 E CB -0.129 29.549 29.700 -0.037 0.000 0.745 186 E HN 0.209 nan 8.360 nan 0.000 0.458 187 D N -0.229 120.157 120.400 -0.024 0.000 2.149 187 D HA -0.030 4.625 4.640 0.025 0.000 0.201 187 D C 1.746 178.037 176.300 -0.015 0.000 0.972 187 D CA 1.399 55.393 54.000 -0.010 0.000 0.835 187 D CB -0.482 40.323 40.800 0.007 0.000 0.966 187 D HN 0.316 nan 8.370 nan 0.000 0.476 188 A N 1.542 124.347 122.820 -0.025 0.000 1.877 188 A HA -0.213 4.121 4.320 0.025 0.000 0.216 188 A C 2.126 179.679 177.584 -0.052 0.000 1.186 188 A CA 1.862 53.870 52.037 -0.048 0.000 0.620 188 A CB -0.552 18.392 19.000 -0.093 0.000 0.822 188 A HN 0.342 nan 8.150 nan 0.000 0.443 189 R N -0.603 119.866 120.500 -0.052 0.000 2.148 189 R HA 0.007 4.362 4.340 0.025 0.000 0.223 189 R C 2.228 178.510 176.300 -0.030 0.000 1.088 189 R CA 1.129 57.203 56.100 -0.044 0.000 0.985 189 R CB -0.437 29.836 30.300 -0.045 0.000 0.880 189 R HN 0.498 nan 8.270 nan 0.000 0.451 190 R N 1.812 122.297 120.500 -0.025 0.000 2.070 190 R HA -0.088 4.267 4.340 0.025 0.000 0.233 190 R C 0.935 177.226 176.300 -0.015 0.000 1.137 190 R CA 1.996 58.086 56.100 -0.017 0.000 0.945 190 R CB -0.318 29.974 30.300 -0.013 0.000 0.845 190 R HN 0.461 nan 8.270 nan 0.000 0.430 191 T N -3.602 110.943 114.554 -0.015 0.000 2.994 191 T HA 0.279 4.644 4.350 0.025 0.000 0.322 191 T C 1.353 176.041 174.700 -0.019 0.000 1.199 191 T CA -0.231 61.861 62.100 -0.013 0.000 0.945 191 T CB 0.577 69.440 68.868 -0.009 0.000 1.754 191 T HN 0.229 nan 8.240 nan 0.000 0.571 192 G N -0.721 108.067 108.800 -0.019 0.000 3.042 192 G HA2 0.433 4.408 3.960 0.025 0.000 0.212 192 G HA3 0.433 4.408 3.960 0.025 0.000 0.212 192 G C 0.821 175.699 174.900 -0.037 0.000 1.166 192 G CA -0.034 45.051 45.100 -0.024 0.000 0.767 192 G HN 1.007 nan 8.290 nan 0.000 0.546 193 G N 0.380 109.157 108.800 -0.039 0.000 2.818 193 G HA2 0.266 4.241 3.960 0.025 0.000 0.235 193 G HA3 0.266 4.241 3.960 0.025 0.000 0.235 193 G C -0.313 174.523 174.900 -0.106 0.000 1.244 193 G CA -0.195 44.868 45.100 -0.062 0.000 0.853 193 G HN 0.297 nan 8.290 nan 0.000 0.596 194 K N -0.429 119.871 120.400 -0.166 0.000 2.156 194 K HA 0.430 4.765 4.320 0.025 0.000 0.271 194 K C 0.362 176.725 176.600 -0.395 0.000 0.995 194 K CA -0.578 55.568 56.287 -0.234 0.000 0.890 194 K CB 1.870 34.229 32.500 -0.234 0.000 1.073 194 K HN 0.504 nan 8.250 nan 0.000 0.454 195 V N 0.200 119.932 119.914 -0.302 0.000 2.607 195 V HA 0.475 4.610 4.120 0.025 0.000 0.289 195 V C -0.384 175.497 176.094 -0.355 0.000 1.053 195 V CA -0.665 61.452 62.300 -0.304 0.000 0.996 195 V CB 0.182 31.920 31.823 -0.142 0.000 0.995 195 V HN 0.441 nan 8.190 nan 0.000 0.476 196 F N 2.545 122.506 119.950 0.018 0.000 2.382 196 F HA 0.653 5.187 4.527 0.011 0.000 0.331 196 F C 1.436 177.389 175.800 0.256 0.000 1.121 196 F CA 0.195 58.287 58.000 0.153 0.000 1.183 196 F CB 1.370 40.522 39.000 0.253 0.000 1.207 196 F HN 0.725 nan 8.300 nan 0.000 0.555 197 A N 2.156 125.233 122.820 0.428 0.000 1.975 197 A HA 0.085 4.420 4.320 0.025 0.000 0.215 197 A C 0.177 177.965 177.584 0.339 0.000 1.170 197 A CA 1.374 53.601 52.037 0.317 0.000 0.656 197 A CB -0.738 18.385 19.000 0.206 0.000 0.821 197 A HN 0.908 nan 8.150 nan 0.000 0.449 198 N N -3.766 115.095 118.700 0.267 0.000 2.961 198 N HA 0.317 5.072 4.740 0.025 0.000 0.245 198 N C -2.813 172.426 175.510 -0.451 0.000 1.404 198 N CA -1.041 51.845 53.050 -0.273 0.000 0.880 198 N CB 0.907 39.315 38.487 -0.132 0.000 1.461 198 N HN -0.215 nan 8.380 nan 0.000 0.510 199 P HA -0.170 nan 4.420 nan 0.000 0.221 199 P C 0.915 178.156 177.300 -0.099 0.000 1.150 199 P CA 1.045 63.910 63.100 -0.392 0.000 0.800 199 P CB 0.418 31.900 31.700 -0.363 0.000 0.787 200 R N 1.037 121.492 120.500 -0.076 0.000 2.062 200 R HA -0.095 4.260 4.340 0.025 0.000 0.231 200 R C 1.856 178.165 176.300 0.016 0.000 1.136 200 R CA 1.979 58.078 56.100 -0.001 0.000 0.948 200 R CB -0.746 29.555 30.300 0.002 0.000 0.845 200 R HN 0.153 nan 8.270 nan 0.000 0.430 201 N N -0.045 118.672 118.700 0.028 0.000 2.396 201 N HA -0.066 4.689 4.740 0.025 0.000 0.180 201 N C 1.574 177.119 175.510 0.058 0.000 1.028 201 N CA 0.788 53.877 53.050 0.064 0.000 0.893 201 N CB 0.041 38.589 38.487 0.102 0.000 0.967 201 N HN 0.313 nan 8.380 nan 0.000 0.440 202 A N 1.088 123.915 122.820 0.010 0.000 1.897 202 A HA 0.140 4.475 4.320 0.025 0.000 0.215 202 A C 2.328 179.771 177.584 -0.236 0.000 1.181 202 A CA 1.323 53.207 52.037 -0.255 0.000 0.620 202 A CB -0.818 18.030 19.000 -0.253 0.000 0.821 202 A HN 0.288 nan 8.150 nan 0.000 0.443 203 A N 0.131 122.896 122.820 -0.092 0.000 1.883 203 A HA 0.097 4.432 4.320 0.025 0.000 0.217 203 A C 2.511 180.079 177.584 -0.027 0.000 1.186 203 A CA 2.317 54.327 52.037 -0.045 0.000 0.624 203 A CB -1.077 17.942 19.000 0.031 0.000 0.822 203 A HN 1.046 nan 8.150 nan 0.000 0.444 204 A N -0.563 122.255 122.820 -0.003 0.000 1.877 204 A HA 0.121 4.456 4.320 0.025 0.000 0.216 204 A C 2.466 180.050 177.584 0.000 0.000 1.186 204 A CA 1.985 54.027 52.037 0.008 0.000 0.620 204 A CB -1.490 17.523 19.000 0.022 0.000 0.822 204 A HN 0.795 nan 8.150 nan 0.000 0.443 205 G N -0.607 108.198 108.800 0.008 0.000 2.440 205 G HA2 -0.185 3.790 3.960 0.025 0.000 0.218 205 G HA3 -0.185 3.790 3.960 0.025 0.000 0.218 205 G C 1.799 176.717 174.900 0.029 0.000 1.154 205 G CA 1.380 46.508 45.100 0.046 0.000 0.767 205 G HN 0.493 nan 8.290 nan 0.000 0.552 206 S N 0.439 116.119 115.700 -0.034 0.000 2.383 206 S HA -0.007 4.478 4.470 0.025 0.000 0.229 206 S C 2.110 176.724 174.600 0.023 0.000 1.030 206 S CA 0.732 58.921 58.200 -0.019 0.000 1.002 206 S CB -0.209 62.948 63.200 -0.073 0.000 0.829 206 S HN 0.302 nan 8.310 nan 0.000 0.467 207 L N 0.281 121.511 121.223 0.012 0.000 2.552 207 L HA 0.144 4.499 4.340 0.025 0.000 0.227 207 L C 2.107 178.993 176.870 0.028 0.000 1.146 207 L CA 0.559 55.414 54.840 0.026 0.000 0.858 207 L CB -0.147 41.916 42.059 0.007 0.000 0.969 207 L HN 0.131 nan 8.230 nan 0.000 0.451 208 R N -0.924 119.584 120.500 0.013 0.000 2.393 208 R HA 0.095 4.450 4.340 0.025 0.000 0.244 208 R C 0.212 176.661 176.300 0.249 0.000 0.920 208 R CA -0.218 55.842 56.100 -0.067 0.000 1.076 208 R CB 0.460 30.686 30.300 -0.123 0.000 1.119 208 R HN 0.232 nan 8.270 nan 0.000 0.524 209 Q N 0.936 120.889 119.800 0.254 0.000 2.332 209 Q HA -0.047 4.308 4.340 0.025 0.000 0.263 209 Q C 0.999 177.178 176.000 0.298 0.000 0.979 209 Q CA 0.229 56.177 55.803 0.241 0.000 0.885 209 Q CB 1.601 30.423 28.738 0.140 0.000 1.218 209 Q HN 0.289 nan 8.270 nan 0.000 0.405 210 L N 1.461 122.779 121.223 0.158 0.000 2.072 210 L HA -0.072 4.283 4.340 0.025 0.000 0.205 210 L C 0.638 177.454 176.870 -0.090 0.000 1.079 210 L CA 0.876 55.660 54.840 -0.094 0.000 0.752 210 L CB 0.290 42.298 42.059 -0.085 0.000 0.906 210 L HN 0.603 nan 8.230 nan 0.000 0.436 211 D N -0.679 119.714 120.400 -0.012 0.000 2.347 211 D HA 0.126 4.780 4.640 0.025 0.000 0.235 211 D C -1.766 174.539 176.300 0.008 0.000 1.149 211 D CA -2.303 51.690 54.000 -0.012 0.000 0.850 211 D CB 1.610 42.414 40.800 0.006 0.000 1.061 211 D HN -0.024 nan 8.370 nan 0.000 0.487 212 P HA -0.091 nan 4.420 nan 0.000 0.219 212 P C 1.197 178.501 177.300 0.007 0.000 1.146 212 P CA 0.868 63.970 63.100 0.004 0.000 0.808 212 P CB 0.277 31.970 31.700 -0.012 0.000 0.779 213 R N -0.776 119.728 120.500 0.007 0.000 2.127 213 R HA -0.086 4.268 4.340 0.025 0.000 0.238 213 R C 2.172 178.483 176.300 0.018 0.000 1.134 213 R CA 1.139 57.246 56.100 0.011 0.000 0.975 213 R CB -0.798 29.510 30.300 0.013 0.000 0.865 213 R HN 0.297 nan 8.270 nan 0.000 0.447 214 I N -0.134 120.453 120.570 0.028 0.000 2.333 214 I HA -0.191 3.994 4.170 0.025 0.000 0.246 214 I C 1.949 178.086 176.117 0.034 0.000 1.106 214 I CA 1.162 62.486 61.300 0.040 0.000 1.411 214 I CB -0.297 37.737 38.000 0.057 0.000 1.082 214 I HN 0.128 nan 8.210 nan 0.000 0.420 215 T N 1.027 115.599 114.554 0.029 0.000 2.746 215 T HA -0.163 4.202 4.350 0.025 0.000 0.267 215 T C 2.073 176.773 174.700 -0.000 0.000 1.039 215 T CA 1.389 63.499 62.100 0.016 0.000 1.142 215 T CB -0.352 68.528 68.868 0.019 0.000 0.866 215 T HN 0.460 nan 8.240 nan 0.000 0.444 216 A N 1.646 124.466 122.820 0.000 0.000 2.032 216 A HA -0.153 4.182 4.320 0.025 0.000 0.221 216 A C 2.132 179.713 177.584 -0.005 0.000 1.165 216 A CA 1.485 53.518 52.037 -0.007 0.000 0.645 216 A CB -0.436 18.562 19.000 -0.004 0.000 0.807 216 A HN 0.499 nan 8.150 nan 0.000 0.453 217 K N -0.700 119.703 120.400 0.005 0.000 2.426 217 K HA 0.065 4.400 4.320 0.025 0.000 0.193 217 K C -0.078 176.525 176.600 0.004 0.000 1.028 217 K CA -0.008 56.284 56.287 0.008 0.000 1.047 217 K CB 0.257 32.769 32.500 0.020 0.000 0.821 217 K HN 0.207 nan 8.250 nan 0.000 0.513 218 R N 2.074 122.569 120.500 -0.008 0.000 2.202 218 R HA 0.117 4.472 4.340 0.025 0.000 0.334 218 R C -2.348 173.930 176.300 -0.037 0.000 1.036 218 R CA -2.059 54.026 56.100 -0.026 0.000 0.878 218 R CB 0.402 30.673 30.300 -0.049 0.000 1.067 218 R HN -0.026 nan 8.270 nan 0.000 0.457 219 P HA 0.007 nan 4.420 nan 0.000 0.238 219 P C -0.173 177.071 177.300 -0.093 0.000 1.714 219 P CA -0.300 62.771 63.100 -0.048 0.000 0.908 219 P CB 0.040 31.726 31.700 -0.024 0.000 1.893 220 L N 0.536 121.694 121.223 -0.108 0.000 2.461 220 L HA 0.267 4.622 4.340 0.025 0.000 0.272 220 L C 1.273 177.995 176.870 -0.246 0.000 1.197 220 L CA 1.020 55.760 54.840 -0.167 0.000 0.836 220 L CB -0.154 41.837 42.059 -0.112 0.000 1.105 220 L HN 0.118 nan 8.230 nan 0.000 0.477 221 T N 1.910 116.195 114.554 -0.449 0.000 2.716 221 T HA 0.698 5.063 4.350 0.025 0.000 0.286 221 T C -1.565 172.847 174.700 -0.479 0.000 1.052 221 T CA -0.413 61.381 62.100 -0.509 0.000 1.024 221 T CB 0.943 69.398 68.868 -0.687 0.000 1.349 221 T HN 0.268 nan 8.240 nan 0.000 0.525 222 F N 0.585 120.199 119.950 -0.559 0.000 2.631 222 F HA 0.763 5.303 4.527 0.022 0.000 0.308 222 F C -2.297 173.427 175.800 -0.126 0.000 1.097 222 F CA -1.296 56.566 58.000 -0.230 0.000 0.952 222 F CB 1.750 40.694 39.000 -0.094 0.000 1.307 222 F HN 0.612 nan 8.300 nan 0.000 0.450 223 F N 3.284 122.874 119.950 -0.600 0.000 2.574 223 F HA 0.441 4.984 4.527 0.026 0.000 0.313 223 F C -0.689 174.673 175.800 -0.731 0.000 1.130 223 F CA -0.910 56.852 58.000 -0.397 0.000 0.936 223 F CB 1.623 40.570 39.000 -0.088 0.000 1.219 223 F HN 0.485 nan 8.300 nan 0.000 0.445 224 C N 2.763 121.993 119.300 -0.116 0.000 2.539 224 C HA 0.211 4.686 4.460 0.025 0.000 0.392 224 C C 0.799 175.820 174.990 0.052 0.000 1.269 224 C CA -0.214 58.765 59.018 -0.065 0.000 2.250 224 C CB -0.192 27.732 27.740 0.308 0.000 2.584 224 C HN 0.925 nan 8.230 nan 0.000 0.589 225 Y N -0.098 120.278 120.300 0.127 0.000 2.438 225 Y HA 0.559 5.123 4.550 0.023 0.000 0.274 225 Y C 0.479 176.543 175.900 0.274 0.000 1.085 225 Y CA 0.155 58.343 58.100 0.145 0.000 1.199 225 Y CB -0.392 38.126 38.460 0.096 0.000 1.317 225 Y HN 0.751 nan 8.280 nan 0.000 0.545 226 G N 0.315 109.273 108.800 0.264 0.000 2.619 226 G HA2 0.523 4.498 3.960 0.025 0.000 0.305 226 G HA3 0.523 4.498 3.960 0.025 0.000 0.305 226 G C -2.130 172.984 174.900 0.356 0.000 1.330 226 G CA -0.278 45.076 45.100 0.423 0.000 0.789 226 G HN 0.303 nan 8.290 nan 0.000 0.487 227 V N -0.491 119.641 119.914 0.364 0.000 2.914 227 V HA 0.877 5.012 4.120 0.025 0.000 0.314 227 V C 0.743 176.989 176.094 0.252 0.000 1.084 227 V CA 0.634 63.137 62.300 0.339 0.000 0.963 227 V CB 1.738 33.787 31.823 0.377 0.000 1.025 227 V HN 1.432 nan 8.190 nan 0.000 0.432 228 G N 2.815 111.730 108.800 0.192 0.000 3.198 228 G HA2 0.372 4.347 3.960 0.025 0.000 0.203 228 G HA3 0.372 4.347 3.960 0.025 0.000 0.203 228 G C 0.155 175.134 174.900 0.132 0.000 1.950 228 G CA 0.370 45.557 45.100 0.144 0.000 0.798 228 G HN 0.938 nan 8.290 nan 0.000 0.720 229 V N 0.696 120.672 119.914 0.104 0.000 2.686 229 V HA 0.626 4.761 4.120 0.025 0.000 0.295 229 V C -0.847 175.303 176.094 0.094 0.000 1.055 229 V CA -0.369 61.984 62.300 0.088 0.000 1.050 229 V CB 1.281 33.144 31.823 0.067 0.000 0.984 229 V HN 0.496 nan 8.190 nan 0.000 0.482 230 L N 6.058 127.334 121.223 0.089 0.000 2.438 230 L HA 0.659 5.014 4.340 0.025 0.000 0.270 230 L C -0.815 176.094 176.870 0.066 0.000 0.972 230 L CA 0.075 54.970 54.840 0.092 0.000 0.831 230 L CB 2.071 44.202 42.059 0.120 0.000 1.273 230 L HN 0.781 nan 8.230 nan 0.000 0.405 231 E N 4.044 124.275 120.200 0.051 0.000 2.265 231 E HA 0.669 5.034 4.350 0.025 0.000 0.262 231 E C -0.124 176.494 176.600 0.029 0.000 0.889 231 E CA -0.267 56.154 56.400 0.035 0.000 0.789 231 E CB 1.718 31.431 29.700 0.022 0.000 1.221 231 E HN 1.066 nan 8.360 nan 0.000 0.414 232 G N 2.225 111.045 108.800 0.033 0.000 2.615 232 G HA2 0.162 4.137 3.960 0.025 0.000 0.218 232 G HA3 0.162 4.137 3.960 0.025 0.000 0.218 232 G C 0.411 175.343 174.900 0.053 0.000 1.339 232 G CA -0.369 44.749 45.100 0.031 0.000 0.884 232 G HN 1.293 nan 8.290 nan 0.000 0.559 233 G N -1.519 107.313 108.800 0.054 0.000 2.741 233 G HA2 0.310 4.285 3.960 0.025 0.000 0.222 233 G HA3 0.310 4.285 3.960 0.025 0.000 0.222 233 G C 0.010 174.972 174.900 0.104 0.000 1.364 233 G CA 1.026 46.186 45.100 0.100 0.000 0.866 233 G HN 1.888 nan 8.290 nan 0.000 0.555 234 E N -0.748 119.535 120.200 0.139 0.000 3.191 234 E HA 0.387 4.752 4.350 0.025 0.000 0.192 234 E C 0.821 177.475 176.600 0.090 0.000 0.972 234 E CA -0.329 56.129 56.400 0.097 0.000 1.266 234 E CB -0.042 29.710 29.700 0.088 0.000 1.076 234 E HN 0.589 nan 8.360 nan 0.000 0.462 235 L N 2.547 123.839 121.223 0.114 0.000 2.514 235 L HA 0.172 4.527 4.340 0.025 0.000 0.280 235 L C -1.446 175.435 176.870 0.019 0.000 1.223 235 L CA -1.002 53.885 54.840 0.079 0.000 0.864 235 L CB -0.081 42.053 42.059 0.124 0.000 1.118 235 L HN 0.175 nan 8.230 nan 0.000 0.494 236 P HA 0.047 nan 4.420 nan 0.000 0.277 236 P C -0.354 176.916 177.300 -0.049 0.000 1.271 236 P CA -0.417 62.657 63.100 -0.043 0.000 0.795 236 P CB 0.833 32.492 31.700 -0.069 0.000 1.101 237 D N -1.448 118.920 120.400 -0.053 0.000 2.349 237 D HA -0.031 4.624 4.640 0.025 0.000 0.224 237 D C 0.338 176.592 176.300 -0.077 0.000 1.029 237 D CA 0.295 54.258 54.000 -0.062 0.000 0.879 237 D CB 0.018 40.781 40.800 -0.062 0.000 0.906 237 D HN 0.311 nan 8.370 nan 0.000 0.528 238 T N -1.213 113.293 114.554 -0.080 0.000 2.799 238 T HA 0.029 4.394 4.350 0.025 0.000 0.286 238 T C 1.042 175.693 174.700 -0.081 0.000 0.973 238 T CA -0.647 61.407 62.100 -0.077 0.000 1.035 238 T CB 1.154 69.973 68.868 -0.081 0.000 0.932 238 T HN 0.180 nan 8.240 nan 0.000 0.469 239 H N 3.863 122.856 119.070 -0.128 0.000 2.353 239 H HA -0.073 4.498 4.556 0.024 0.000 0.300 239 H C 1.742 176.985 175.328 -0.141 0.000 1.090 239 H CA 1.979 57.952 56.048 -0.125 0.000 1.327 239 H CB 0.173 29.888 29.762 -0.080 0.000 1.383 239 H HN 0.580 nan 8.280 nan 0.000 0.508 240 L N 1.049 122.201 121.223 -0.120 0.000 2.017 240 L HA -0.026 4.329 4.340 0.025 0.000 0.208 240 L C 2.784 179.509 176.870 -0.241 0.000 1.073 240 L CA 2.147 56.887 54.840 -0.166 0.000 0.745 240 L CB -1.245 40.773 42.059 -0.067 0.000 0.894 240 L HN 0.345 nan 8.230 nan 0.000 0.432 241 G N -0.595 108.089 108.800 -0.194 0.000 2.505 241 G HA2 -0.316 3.659 3.960 0.025 0.000 0.220 241 G HA3 -0.316 3.659 3.960 0.025 0.000 0.220 241 G C 1.752 176.479 174.900 -0.289 0.000 1.145 241 G CA 1.046 46.028 45.100 -0.198 0.000 0.761 241 G HN 0.445 nan 8.290 nan 0.000 0.571 242 R N -0.304 119.970 120.500 -0.377 0.000 2.075 242 R HA 0.103 4.458 4.340 0.025 0.000 0.232 242 R C 2.654 178.437 176.300 -0.862 0.000 1.126 242 R CA 0.901 56.674 56.100 -0.546 0.000 0.963 242 R CB -0.475 29.493 30.300 -0.554 0.000 0.858 242 R HN 0.337 nan 8.270 nan 0.000 0.435 243 L N 0.687 121.443 121.223 -0.779 0.000 2.083 243 L HA -0.174 4.181 4.340 0.025 0.000 0.209 243 L C 2.379 179.041 176.870 -0.348 0.000 1.083 243 L CA 1.059 55.520 54.840 -0.632 0.000 0.752 243 L CB -0.398 41.416 42.059 -0.409 0.000 0.899 243 L HN 0.224 nan 8.230 nan 0.000 0.433 244 L N -0.602 120.440 121.223 -0.302 0.000 2.083 244 L HA -0.231 4.124 4.340 0.025 0.000 0.209 244 L C 2.683 179.402 176.870 -0.251 0.000 1.083 244 L CA 0.980 55.696 54.840 -0.207 0.000 0.752 244 L CB -0.304 41.650 42.059 -0.174 0.000 0.899 244 L HN 0.298 nan 8.230 nan 0.000 0.433 245 Q N 0.133 119.717 119.800 -0.361 0.000 2.079 245 Q HA -0.163 4.191 4.340 0.025 0.000 0.200 245 Q C 2.077 177.674 176.000 -0.671 0.000 0.974 245 Q CA 1.752 57.221 55.803 -0.556 0.000 0.840 245 Q CB -0.375 28.020 28.738 -0.572 0.000 0.898 245 Q HN 0.441 nan 8.270 nan 0.000 0.430 246 F N 0.487 120.097 119.950 -0.566 0.000 2.091 246 F HA -0.263 4.278 4.527 0.024 0.000 0.299 246 F C 2.351 178.055 175.800 -0.160 0.000 1.103 246 F CA 1.131 58.947 58.000 -0.307 0.000 1.228 246 F CB -0.182 38.808 39.000 -0.018 0.000 0.984 246 F HN 0.173 nan 8.300 nan 0.000 0.477 247 K N 1.068 121.510 120.400 0.069 0.000 2.113 247 K HA -0.251 4.084 4.320 0.025 0.000 0.208 247 K C 2.025 178.654 176.600 0.049 0.000 1.047 247 K CA 1.548 57.877 56.287 0.069 0.000 0.928 247 K CB -0.150 32.366 32.500 0.026 0.000 0.716 247 K HN 0.096 nan 8.250 nan 0.000 0.446 248 K N -0.612 119.753 120.400 -0.057 0.000 2.288 248 K HA -0.104 4.231 4.320 0.025 0.000 0.201 248 K C 1.455 178.158 176.600 0.172 0.000 1.048 248 K CA 0.999 57.286 56.287 0.001 0.000 0.956 248 K CB -0.053 32.360 32.500 -0.145 0.000 0.746 248 K HN 0.330 nan 8.250 nan 0.000 0.461 249 W N -0.173 121.128 121.300 0.002 0.000 2.595 249 W HA 0.024 4.698 4.660 0.024 0.000 0.257 249 W C 1.164 177.347 176.519 -0.559 0.000 1.267 249 W CA 0.076 57.292 57.345 -0.215 0.000 1.300 249 W CB 0.409 29.720 29.460 -0.248 0.000 1.120 249 W HN 0.379 nan 8.180 nan 0.000 0.618 250 G N 0.030 108.813 108.800 -0.028 0.000 2.184 250 G HA2 -0.249 3.726 3.960 0.025 0.000 0.206 250 G HA3 -0.249 3.726 3.960 0.025 0.000 0.206 250 G C -0.104 174.816 174.900 0.033 0.000 0.995 250 G CA -0.645 44.417 45.100 -0.063 0.000 0.651 250 G HN 0.054 nan 8.290 nan 0.000 0.511 251 L N 2.569 123.846 121.223 0.091 0.000 2.371 251 L HA 0.434 4.788 4.340 0.025 0.000 0.272 251 L C -1.374 175.637 176.870 0.234 0.000 1.124 251 L CA -1.991 52.947 54.840 0.164 0.000 0.816 251 L CB 0.815 42.987 42.059 0.189 0.000 1.129 251 L HN -0.017 nan 8.230 nan 0.000 0.448 252 P HA 0.144 nan 4.420 nan 0.000 0.276 252 P C -1.085 176.485 177.300 0.450 0.000 1.243 252 P CA -0.089 63.218 63.100 0.345 0.000 0.768 252 P CB 1.381 33.250 31.700 0.282 0.000 0.856 253 V N 2.374 122.524 119.914 0.393 0.000 2.623 253 V HA 0.192 4.327 4.120 0.025 0.000 0.304 253 V C 0.505 176.537 176.094 -0.103 0.000 1.054 253 V CA -0.786 61.611 62.300 0.162 0.000 0.882 253 V CB 1.842 33.714 31.823 0.081 0.000 1.002 253 V HN 0.661 nan 8.190 nan 0.000 0.424 254 S N 2.174 117.429 115.700 -0.742 0.000 2.546 254 S HA 0.002 4.487 4.470 0.025 0.000 0.290 254 S C 1.065 175.519 174.600 -0.245 0.000 1.290 254 S CA 0.312 58.005 58.200 -0.845 0.000 1.069 254 S CB 0.391 63.023 63.200 -0.946 0.000 0.846 254 S HN 0.974 nan 8.310 nan 0.000 0.495 255 D N 4.017 124.366 120.400 -0.084 0.000 2.363 255 D HA -0.023 4.632 4.640 0.025 0.000 0.226 255 D C 1.438 177.749 176.300 0.019 0.000 1.020 255 D CA 0.542 54.542 54.000 -0.000 0.000 0.892 255 D CB -0.053 40.778 40.800 0.052 0.000 0.900 255 D HN 0.565 nan 8.370 nan 0.000 0.531 256 R N 0.164 120.673 120.500 0.015 0.000 2.276 256 R HA 0.150 4.505 4.340 0.025 0.000 0.196 256 R C 0.071 176.468 176.300 0.161 0.000 0.961 256 R CA -0.106 56.053 56.100 0.099 0.000 1.024 256 R CB 0.327 30.690 30.300 0.105 0.000 0.940 256 R HN 0.098 nan 8.270 nan 0.000 0.480 257 V N 2.252 122.200 119.914 0.056 0.000 2.584 257 V HA -0.066 4.069 4.120 0.025 0.000 0.303 257 V C 0.419 176.514 176.094 0.002 0.000 1.035 257 V CA 0.906 63.220 62.300 0.023 0.000 1.172 257 V CB 0.799 32.611 31.823 -0.019 0.000 0.896 257 V HN 0.230 nan 8.190 nan 0.000 0.486 258 T N 5.445 119.935 114.554 -0.106 0.000 2.901 258 T HA 0.679 5.044 4.350 0.025 0.000 0.293 258 T C -0.997 173.616 174.700 -0.146 0.000 1.084 258 T CA -0.690 61.339 62.100 -0.119 0.000 1.008 258 T CB 1.944 70.737 68.868 -0.126 0.000 1.170 258 T HN 0.281 nan 8.240 nan 0.000 0.509 259 L N 1.214 122.395 121.223 -0.071 0.000 2.341 259 L HA 0.661 5.016 4.340 0.025 0.000 0.278 259 L C -1.068 175.802 176.870 -0.001 0.000 1.005 259 L CA -0.346 54.476 54.840 -0.030 0.000 0.818 259 L CB 1.060 43.110 42.059 -0.015 0.000 1.259 259 L HN 0.871 nan 8.230 nan 0.000 0.418 260 C N 3.018 122.353 119.300 0.057 0.000 2.408 260 C HA 0.462 4.937 4.460 0.025 0.000 0.321 260 C C 1.174 176.268 174.990 0.173 0.000 1.245 260 C CA -0.751 58.337 59.018 0.117 0.000 1.523 260 C CB 1.617 29.437 27.740 0.135 0.000 2.178 260 C HN 0.825 nan 8.230 nan 0.000 0.488 261 E N 0.994 121.273 120.200 0.130 0.000 2.250 261 E HA 0.020 4.385 4.350 0.025 0.000 0.192 261 E C 0.911 177.613 176.600 0.169 0.000 0.986 261 E CA 0.584 57.044 56.400 0.099 0.000 0.849 261 E CB 0.133 29.866 29.700 0.054 0.000 0.797 261 E HN 0.793 nan 8.360 nan 0.000 0.482 262 S N -1.152 114.686 115.700 0.230 0.000 2.704 262 S HA 0.681 5.166 4.470 0.025 0.000 0.296 262 S C 0.893 175.676 174.600 0.305 0.000 1.138 262 S CA -0.280 58.075 58.200 0.259 0.000 0.875 262 S CB 1.732 65.026 63.200 0.157 0.000 1.151 262 S HN -0.017 nan 8.310 nan 0.000 0.500 263 A N 0.181 123.175 122.820 0.290 0.000 1.969 263 A HA 0.017 4.352 4.320 0.025 0.000 0.218 263 A C 1.934 179.602 177.584 0.141 0.000 1.169 263 A CA 1.534 53.747 52.037 0.293 0.000 0.635 263 A CB -1.006 18.201 19.000 0.345 0.000 0.810 263 A HN 0.938 nan 8.150 nan 0.000 0.445 264 E N -0.052 120.227 120.200 0.133 0.000 2.150 264 E HA -0.189 4.176 4.350 0.025 0.000 0.193 264 E C 1.803 178.459 176.600 0.093 0.000 0.985 264 E CA 1.125 57.587 56.400 0.103 0.000 0.814 264 E CB -0.069 29.689 29.700 0.098 0.000 0.752 264 E HN 0.744 nan 8.360 nan 0.000 0.466 265 E N -0.073 120.188 120.200 0.102 0.000 2.106 265 E HA -0.141 4.224 4.350 0.025 0.000 0.192 265 E C 2.225 178.878 176.600 0.088 0.000 0.984 265 E CA 1.000 57.462 56.400 0.104 0.000 0.806 265 E CB 0.137 29.905 29.700 0.113 0.000 0.750 265 E HN 0.147 nan 8.360 nan 0.000 0.458 266 V N 1.899 121.819 119.914 0.009 0.000 2.295 266 V HA -0.245 3.890 4.120 0.025 0.000 0.246 266 V C 2.353 178.399 176.094 -0.079 0.000 1.049 266 V CA 1.234 63.461 62.300 -0.121 0.000 1.024 266 V CB -0.374 31.148 31.823 -0.501 0.000 0.648 266 V HN 0.305 nan 8.190 nan 0.000 0.447 267 L N 0.057 121.212 121.223 -0.113 0.000 2.079 267 L HA -0.179 4.176 4.340 0.025 0.000 0.210 267 L C 2.690 179.607 176.870 0.080 0.000 1.081 267 L CA 2.475 57.283 54.840 -0.054 0.000 0.752 267 L CB -1.647 40.433 42.059 0.035 0.000 0.896 267 L HN 0.415 nan 8.230 nan 0.000 0.433 268 A N -0.890 122.014 122.820 0.141 0.000 1.933 268 A HA -0.267 4.067 4.320 0.025 0.000 0.218 268 A C 2.214 179.891 177.584 0.156 0.000 1.175 268 A CA 1.364 53.507 52.037 0.177 0.000 0.628 268 A CB -0.790 18.294 19.000 0.140 0.000 0.814 268 A HN 0.392 nan 8.150 nan 0.000 0.444 269 F N -1.035 118.919 119.950 0.007 0.000 2.146 269 F HA -0.154 4.389 4.527 0.026 0.000 0.298 269 F C 2.091 177.872 175.800 -0.031 0.000 1.096 269 F CA 1.845 59.840 58.000 -0.009 0.000 1.275 269 F CB -0.376 38.614 39.000 -0.016 0.000 1.008 269 F HN 0.376 nan 8.300 nan 0.000 0.480 270 Y N 0.476 120.695 120.300 -0.135 0.000 2.145 270 Y HA -0.282 4.284 4.550 0.027 0.000 0.286 270 Y C 2.445 178.165 175.900 -0.300 0.000 1.145 270 Y CA 2.497 60.379 58.100 -0.364 0.000 1.148 270 Y CB -0.991 37.015 38.460 -0.755 0.000 0.981 270 Y HN 0.207 nan 8.280 nan 0.000 0.507 271 H N -1.064 117.967 119.070 -0.066 0.000 2.462 271 H HA -0.071 4.499 4.556 0.024 0.000 0.292 271 H C 2.065 177.254 175.328 -0.233 0.000 1.049 271 H CA 1.176 57.129 56.048 -0.157 0.000 1.334 271 H CB 0.071 29.823 29.762 -0.017 0.000 1.404 271 H HN 0.113 nan 8.280 nan 0.000 0.544 272 K N 0.827 121.152 120.400 -0.125 0.000 2.001 272 K HA -0.091 4.244 4.320 0.025 0.000 0.208 272 K C 1.984 178.400 176.600 -0.308 0.000 1.048 272 K CA 1.180 57.350 56.287 -0.194 0.000 0.932 272 K CB -0.588 31.794 32.500 -0.198 0.000 0.715 272 K HN 0.089 nan 8.250 nan 0.000 0.437 273 V N 1.460 121.105 119.914 -0.449 0.000 2.407 273 V HA -0.203 3.932 4.120 0.025 0.000 0.248 273 V C 2.395 178.233 176.094 -0.427 0.000 1.055 273 V CA 2.188 64.241 62.300 -0.412 0.000 1.049 273 V CB -0.543 31.035 31.823 -0.408 0.000 0.662 273 V HN 0.532 nan 8.190 nan 0.000 0.455 274 E N -0.007 119.857 120.200 -0.560 0.000 2.153 274 E HA -0.275 4.090 4.350 0.025 0.000 0.194 274 E C 2.189 178.477 176.600 -0.520 0.000 0.988 274 E CA 1.500 57.380 56.400 -0.866 0.000 0.811 274 E CB -0.013 29.201 29.700 -0.811 0.000 0.746 274 E HN 0.716 nan 8.360 nan 0.000 0.466 275 E N -0.309 119.686 120.200 -0.341 0.000 2.112 275 E HA -0.118 4.247 4.350 0.025 0.000 0.190 275 E C 0.942 177.407 176.600 -0.224 0.000 0.979 275 E CA 1.022 57.278 56.400 -0.240 0.000 0.814 275 E CB 0.286 29.884 29.700 -0.170 0.000 0.762 275 E HN 0.258 nan 8.360 nan 0.000 0.460 276 D N -0.220 120.037 120.400 -0.239 0.000 2.339 276 D HA -0.027 4.628 4.640 0.025 0.000 0.217 276 D C 1.491 177.651 176.300 -0.234 0.000 1.050 276 D CA 0.032 53.908 54.000 -0.206 0.000 0.856 276 D CB -0.038 40.652 40.800 -0.183 0.000 0.922 276 D HN 0.074 nan 8.370 nan 0.000 0.518 277 R N 1.323 121.649 120.500 -0.291 0.000 2.134 277 R HA -0.160 4.195 4.340 0.025 0.000 0.248 277 R C -0.743 175.411 176.300 -0.244 0.000 1.143 277 R CA 1.737 57.659 56.100 -0.297 0.000 0.957 277 R CB -0.762 29.301 30.300 -0.394 0.000 0.867 277 R HN 0.201 nan 8.270 nan 0.000 0.441 278 P HA -0.061 nan 4.420 nan 0.000 0.233 278 P C 0.648 177.859 177.300 -0.149 0.000 1.167 278 P CA 1.470 64.475 63.100 -0.158 0.000 0.770 278 P CB 0.110 31.732 31.700 -0.130 0.000 0.837 279 T N -3.921 110.533 114.554 -0.166 0.000 3.086 279 T HA 0.152 4.517 4.350 0.025 0.000 0.250 279 T C 1.820 176.404 174.700 -0.192 0.000 1.074 279 T CA -0.070 61.945 62.100 -0.143 0.000 0.988 279 T CB -0.899 67.899 68.868 -0.116 0.000 0.988 279 T HN -0.035 nan 8.240 nan 0.000 0.530 280 L N 0.926 121.961 121.223 -0.313 0.000 2.083 280 L HA 0.172 4.527 4.340 0.025 0.000 0.209 280 L C 2.544 179.056 176.870 -0.597 0.000 1.083 280 L CA 1.471 55.968 54.840 -0.572 0.000 0.752 280 L CB -0.962 40.550 42.059 -0.912 0.000 0.899 280 L HN 0.622 nan 8.230 nan 0.000 0.433 281 G N -0.273 108.317 108.800 -0.349 0.000 2.194 281 G HA2 -0.284 3.691 3.960 0.025 0.000 0.236 281 G HA3 -0.284 3.691 3.960 0.025 0.000 0.236 281 G C 0.123 175.071 174.900 0.080 0.000 0.987 281 G CA 0.166 45.217 45.100 -0.082 0.000 0.635 281 G HN 0.373 nan 8.290 nan 0.000 0.520 282 F N -0.935 119.072 119.950 0.094 0.000 2.711 282 F HA 0.788 5.325 4.527 0.018 0.000 0.313 282 F C -0.908 174.890 175.800 -0.002 0.000 1.141 282 F CA -2.152 55.904 58.000 0.093 0.000 0.941 282 F CB 0.388 39.500 39.000 0.187 0.000 1.349 282 F HN -0.113 nan 8.300 nan 0.000 0.464 283 D N 1.826 122.382 120.400 0.260 0.000 2.264 283 D HA 0.654 5.309 4.640 0.025 0.000 0.249 283 D C -0.141 176.248 176.300 0.148 0.000 1.070 283 D CA 0.146 54.217 54.000 0.118 0.000 0.912 283 D CB 1.872 42.699 40.800 0.044 0.000 1.193 283 D HN 0.783 nan 8.370 nan 0.000 0.427 284 I N -2.094 118.535 120.570 0.099 0.000 2.994 284 I HA 0.440 4.624 4.170 0.025 0.000 0.306 284 I C -0.602 175.588 176.117 0.121 0.000 1.195 284 I CA -0.891 60.472 61.300 0.105 0.000 1.001 284 I CB 2.624 40.715 38.000 0.151 0.000 1.244 284 I HN 0.054 nan 8.210 nan 0.000 0.437 285 D N 1.370 121.825 120.400 0.091 0.000 2.503 285 D HA 0.532 5.187 4.640 0.025 0.000 0.218 285 D C 0.448 176.747 176.300 -0.001 0.000 1.183 285 D CA 0.245 54.308 54.000 0.106 0.000 0.827 285 D CB 1.175 42.003 40.800 0.048 0.000 1.034 285 D HN 1.140 nan 8.370 nan 0.000 0.510 286 G N -0.641 108.072 108.800 -0.146 0.000 2.368 286 G HA2 0.414 4.389 3.960 0.025 0.000 0.269 286 G HA3 0.414 4.389 3.960 0.025 0.000 0.269 286 G C -1.619 173.054 174.900 -0.377 0.000 1.291 286 G CA -0.224 44.441 45.100 -0.725 0.000 0.903 286 G HN 0.719 nan 8.290 nan 0.000 0.483 287 V N -2.350 117.377 119.914 -0.312 0.000 2.962 287 V HA 0.893 5.028 4.120 0.025 0.000 0.313 287 V C -0.459 175.613 176.094 -0.037 0.000 1.099 287 V CA -1.073 61.195 62.300 -0.053 0.000 0.971 287 V CB 1.647 33.550 31.823 0.134 0.000 1.028 287 V HN 1.133 nan 8.190 nan 0.000 0.430 288 V N 4.958 124.859 119.914 -0.022 0.000 2.370 288 V HA 0.517 4.652 4.120 0.025 0.000 0.283 288 V C -0.279 175.804 176.094 -0.019 0.000 1.023 288 V CA -0.409 61.851 62.300 -0.067 0.000 0.857 288 V CB 1.193 32.949 31.823 -0.112 0.000 0.985 288 V HN 0.713 nan 8.190 nan 0.000 0.443 289 I N 5.969 126.530 120.570 -0.015 0.000 2.339 289 I HA 0.550 4.735 4.170 0.025 0.000 0.290 289 I C 0.045 176.293 176.117 0.218 0.000 0.994 289 I CA -0.503 60.844 61.300 0.078 0.000 1.191 289 I CB 1.320 39.352 38.000 0.053 0.000 1.343 289 I HN 0.777 nan 8.210 nan 0.000 0.458 290 K N 4.738 125.361 120.400 0.373 0.000 2.477 290 K HA 0.650 4.985 4.320 0.025 0.000 0.255 290 K C -1.345 175.589 176.600 0.557 0.000 0.952 290 K CA -0.840 55.745 56.287 0.496 0.000 0.826 290 K CB 2.176 34.858 32.500 0.303 0.000 1.331 290 K HN 0.109 nan 8.250 nan 0.000 0.437 291 V N 3.014 123.210 119.914 0.470 0.000 2.485 291 V HA -0.088 4.047 4.120 0.025 0.000 0.287 291 V C 1.351 177.412 176.094 -0.055 0.000 1.022 291 V CA 0.059 62.365 62.300 0.009 0.000 1.067 291 V CB 0.301 32.096 31.823 -0.048 0.000 0.967 291 V HN 0.931 nan 8.190 nan 0.000 0.479 292 N N 3.364 122.000 118.700 -0.107 0.000 2.244 292 N HA -0.108 4.646 4.740 0.025 0.000 0.183 292 N C 1.219 176.668 175.510 -0.102 0.000 1.016 292 N CA 1.073 54.089 53.050 -0.057 0.000 0.866 292 N CB 0.102 38.561 38.487 -0.048 0.000 0.980 292 N HN 0.664 nan 8.380 nan 0.000 0.430 293 S N 0.409 116.008 115.700 -0.169 0.000 2.481 293 S HA 0.090 4.575 4.470 0.025 0.000 0.276 293 S C 1.362 175.826 174.600 -0.227 0.000 1.247 293 S CA -0.634 57.463 58.200 -0.172 0.000 1.053 293 S CB 0.052 63.148 63.200 -0.173 0.000 0.925 293 S HN 0.194 nan 8.310 nan 0.000 0.491 294 L N 4.714 125.821 121.223 -0.194 0.000 2.201 294 L HA -0.044 4.310 4.340 0.025 0.000 0.212 294 L C 2.629 179.366 176.870 -0.222 0.000 1.105 294 L CA 1.907 56.604 54.840 -0.238 0.000 0.775 294 L CB -2.122 39.851 42.059 -0.143 0.000 0.913 294 L HN 0.871 nan 8.230 nan 0.000 0.440 295 A N -0.174 122.548 122.820 -0.162 0.000 1.841 295 A HA -0.226 4.109 4.320 0.025 0.000 0.214 295 A C 2.168 179.661 177.584 -0.152 0.000 1.195 295 A CA 1.282 53.242 52.037 -0.129 0.000 0.611 295 A CB -0.463 18.478 19.000 -0.099 0.000 0.835 295 A HN 0.479 nan 8.150 nan 0.000 0.443 296 Q N -0.860 118.837 119.800 -0.171 0.000 2.135 296 Q HA -0.282 4.073 4.340 0.025 0.000 0.204 296 Q C 2.257 178.131 176.000 -0.210 0.000 0.981 296 Q CA 1.650 57.352 55.803 -0.168 0.000 0.856 296 Q CB -0.253 28.373 28.738 -0.186 0.000 0.902 296 Q HN 0.844 nan 8.270 nan 0.000 0.425 297 Q N 1.202 120.789 119.800 -0.354 0.000 2.112 297 Q HA -0.234 4.121 4.340 0.025 0.000 0.206 297 Q C 1.591 177.321 176.000 -0.449 0.000 0.987 297 Q CA 1.592 56.980 55.803 -0.691 0.000 0.858 297 Q CB 0.120 28.228 28.738 -1.050 0.000 0.905 297 Q HN 0.412 nan 8.270 nan 0.000 0.420 298 E N -0.458 119.592 120.200 -0.249 0.000 2.208 298 E HA -0.174 4.191 4.350 0.025 0.000 0.193 298 E C 2.062 178.648 176.600 -0.023 0.000 0.988 298 E CA 0.888 57.240 56.400 -0.080 0.000 0.828 298 E CB 0.131 29.804 29.700 -0.044 0.000 0.763 298 E HN 0.470 nan 8.360 nan 0.000 0.478 299 Q N 0.110 119.879 119.800 -0.052 0.000 2.172 299 Q HA -0.082 4.273 4.340 0.025 0.000 0.200 299 Q C 2.150 178.154 176.000 0.006 0.000 0.964 299 Q CA 0.819 56.609 55.803 -0.022 0.000 0.855 299 Q CB 0.089 28.800 28.738 -0.045 0.000 0.918 299 Q HN 0.311 nan 8.270 nan 0.000 0.444 300 L N -0.311 120.921 121.223 0.015 0.000 2.179 300 L HA 0.047 4.402 4.340 0.025 0.000 0.208 300 L C 1.250 178.178 176.870 0.097 0.000 1.096 300 L CA 0.438 55.319 54.840 0.068 0.000 0.779 300 L CB -0.849 41.291 42.059 0.136 0.000 0.922 300 L HN 0.325 nan 8.230 nan 0.000 0.443 301 G N -0.049 108.819 108.800 0.114 0.000 2.749 301 G HA2 -0.295 3.679 3.960 0.025 0.000 0.242 301 G HA3 -0.295 3.679 3.960 0.025 0.000 0.242 301 G C -0.525 174.391 174.900 0.027 0.000 1.364 301 G CA -0.329 44.866 45.100 0.160 0.000 0.888 301 G HN 0.077 nan 8.290 nan 0.000 0.566 302 F N -0.805 119.229 119.950 0.139 0.000 2.575 302 F HA 0.691 5.233 4.527 0.024 0.000 0.330 302 F C 1.134 176.947 175.800 0.021 0.000 1.056 302 F CA -0.316 57.720 58.000 0.060 0.000 0.964 302 F CB 1.873 40.909 39.000 0.061 0.000 1.258 302 F HN 0.600 nan 8.300 nan 0.000 0.484 303 V N -0.366 119.658 119.914 0.182 0.000 3.420 303 V HA 0.746 4.880 4.120 0.025 0.000 0.295 303 V C 0.927 177.071 176.094 0.084 0.000 1.201 303 V CA -0.177 62.177 62.300 0.091 0.000 0.995 303 V CB 0.499 32.339 31.823 0.028 0.000 1.244 303 V HN 0.911 nan 8.190 nan 0.000 0.466 304 A N -0.428 122.411 122.820 0.031 0.000 1.873 304 A HA -0.138 4.197 4.320 0.025 0.000 0.218 304 A C 2.230 179.812 177.584 -0.004 0.000 1.193 304 A CA 2.351 54.389 52.037 0.003 0.000 0.629 304 A CB -0.703 18.284 19.000 -0.023 0.000 0.826 304 A HN 0.861 nan 8.150 nan 0.000 0.447 305 R N -1.634 118.861 120.500 -0.008 0.000 2.362 305 R HA 0.470 4.825 4.340 0.025 0.000 0.227 305 R C -0.171 176.123 176.300 -0.010 0.000 0.905 305 R CA 0.648 56.737 56.100 -0.018 0.000 1.067 305 R CB 0.283 30.563 30.300 -0.034 0.000 1.078 305 R HN 0.579 nan 8.270 nan 0.000 0.516 306 A N 0.657 123.486 122.820 0.015 0.000 2.597 306 A HA 0.450 4.785 4.320 0.025 0.000 0.292 306 A C -2.882 174.690 177.584 -0.021 0.000 1.057 306 A CA -1.364 50.665 52.037 -0.013 0.000 0.674 306 A CB 1.456 20.381 19.000 -0.124 0.000 1.278 306 A HN -0.073 nan 8.150 nan 0.000 0.416 307 P HA 0.259 nan 4.420 nan 0.000 0.272 307 P C -0.228 176.715 177.300 -0.595 0.000 1.230 307 P CA -0.113 62.524 63.100 -0.771 0.000 0.788 307 P CB 0.752 31.402 31.700 -1.750 0.000 0.949 308 R N 1.028 121.252 120.500 -0.459 0.000 2.334 308 R HA 0.112 4.466 4.340 0.025 0.000 0.216 308 R C 0.962 177.310 176.300 0.080 0.000 0.905 308 R CA 0.487 56.520 56.100 -0.111 0.000 1.064 308 R CB 0.080 30.380 30.300 -0.000 0.000 1.046 308 R HN 0.699 nan 8.270 nan 0.000 0.508 309 W N -0.152 121.158 121.300 0.017 0.000 3.223 309 W HA 0.635 5.310 4.660 0.024 0.000 0.389 309 W C -0.477 176.223 176.519 0.302 0.000 1.118 309 W CA -0.692 56.739 57.345 0.143 0.000 1.902 309 W CB 0.058 29.491 29.460 -0.045 0.000 1.094 309 W HN -0.176 nan 8.180 nan 0.000 0.666 310 A N 1.335 124.142 122.820 -0.022 0.000 2.608 310 A HA 0.707 5.042 4.320 0.025 0.000 0.292 310 A C -1.091 176.126 177.584 -0.611 0.000 1.066 310 A CA -0.386 51.540 52.037 -0.186 0.000 0.676 310 A CB 1.409 20.181 19.000 -0.379 0.000 1.277 310 A HN 0.450 nan 8.150 nan 0.000 0.413 311 V N -2.268 117.268 119.914 -0.629 0.000 3.049 311 V HA 0.964 5.099 4.120 0.025 0.000 0.309 311 V C -0.082 175.765 176.094 -0.412 0.000 1.148 311 V CA -0.435 61.453 62.300 -0.687 0.000 0.990 311 V CB 1.375 32.577 31.823 -1.035 0.000 1.039 311 V HN 2.310 nan 8.190 nan 0.000 0.430 312 A N 3.035 125.629 122.820 -0.376 0.000 2.260 312 A HA 0.733 5.067 4.320 0.025 0.000 0.308 312 A C -0.739 176.692 177.584 -0.256 0.000 1.254 312 A CA -0.384 51.491 52.037 -0.269 0.000 0.874 312 A CB 0.325 19.169 19.000 -0.259 0.000 1.153 312 A HN 1.182 nan 8.150 nan 0.000 0.527 313 F N 3.834 123.573 119.950 -0.351 0.000 2.351 313 F HA 0.278 4.821 4.527 0.026 0.000 0.362 313 F C 0.501 176.088 175.800 -0.355 0.000 1.131 313 F CA -0.676 57.102 58.000 -0.370 0.000 1.187 313 F CB 0.326 39.120 39.000 -0.343 0.000 1.434 313 F HN 0.558 nan 8.300 nan 0.000 0.553 314 K N 4.845 125.226 120.400 -0.031 0.000 2.202 314 K HA 0.296 4.631 4.320 0.025 0.000 0.264 314 K C -0.700 175.959 176.600 0.099 0.000 1.010 314 K CA -0.281 55.959 56.287 -0.078 0.000 0.940 314 K CB 1.247 33.768 32.500 0.035 0.000 0.983 314 K HN 0.429 nan 8.250 nan 0.000 0.475 315 F N 2.128 122.200 119.950 0.203 0.000 2.378 315 F HA 0.250 4.791 4.527 0.025 0.000 0.325 315 F C -1.309 174.594 175.800 0.172 0.000 1.097 315 F CA -2.145 55.940 58.000 0.141 0.000 1.079 315 F CB 0.513 39.484 39.000 -0.049 0.000 1.240 315 F HN 0.359 nan 8.300 nan 0.000 0.519 316 P HA 0.115 nan 4.420 nan 0.000 0.268 316 P C -1.074 176.312 177.300 0.143 0.000 1.205 316 P CA -0.258 62.965 63.100 0.205 0.000 0.771 316 P CB 0.716 32.507 31.700 0.151 0.000 0.858 317 A N 2.533 125.409 122.820 0.093 0.000 2.316 317 A HA 0.260 4.595 4.320 0.025 0.000 0.284 317 A C 0.401 178.007 177.584 0.036 0.000 1.115 317 A CA -0.401 51.675 52.037 0.065 0.000 0.812 317 A CB 0.112 19.140 19.000 0.046 0.000 1.064 317 A HN 0.540 nan 8.150 nan 0.000 0.489 318 Q N 1.334 121.151 119.800 0.028 0.000 2.289 318 Q HA 0.188 4.543 4.340 0.025 0.000 0.273 318 Q C -0.366 175.642 176.000 0.013 0.000 1.029 318 Q CA 1.047 56.859 55.803 0.015 0.000 0.896 318 Q CB 0.131 28.876 28.738 0.012 0.000 1.182 318 Q HN 0.676 nan 8.270 nan 0.000 0.385 319 E N 2.759 122.964 120.200 0.009 0.000 2.250 319 E HA 0.426 4.790 4.350 0.025 0.000 0.269 319 E C -0.767 175.839 176.600 0.010 0.000 1.018 319 E CA -0.757 55.648 56.400 0.007 0.000 0.873 319 E CB 1.270 30.973 29.700 0.005 0.000 1.134 319 E HN 0.491 nan 8.360 nan 0.000 0.403 320 Q N 0.669 120.474 119.800 0.008 0.000 2.565 320 Q HA 0.502 4.857 4.340 0.025 0.000 0.294 320 Q C -1.566 174.438 176.000 0.007 0.000 1.005 320 Q CA -0.492 55.317 55.803 0.011 0.000 0.771 320 Q CB 2.297 31.043 28.738 0.012 0.000 1.486 320 Q HN 0.475 nan 8.270 nan 0.000 0.422 321 M N 0.199 119.806 119.600 0.012 0.000 2.598 321 M HA 0.770 5.265 4.480 0.025 0.000 0.317 321 M C -0.612 175.694 176.300 0.011 0.000 1.179 321 M CA -0.384 54.927 55.300 0.018 0.000 0.936 321 M CB 2.506 35.126 32.600 0.033 0.000 1.713 321 M HN 0.714 nan 8.290 nan 0.000 0.460 322 T N 0.721 115.285 114.554 0.016 0.000 2.661 322 T HA 0.691 5.056 4.350 0.025 0.000 0.305 322 T C -2.159 172.580 174.700 0.065 0.000 1.535 322 T CA -0.596 61.488 62.100 -0.026 0.000 1.000 322 T CB 0.989 69.767 68.868 -0.151 0.000 1.811 322 T HN 0.541 nan 8.240 nan 0.000 0.471 323 F N -0.009 119.932 119.950 -0.015 0.000 2.613 323 F HA 0.862 5.404 4.527 0.026 0.000 0.314 323 F C -1.051 174.737 175.800 -0.020 0.000 1.075 323 F CA -1.302 56.690 58.000 -0.014 0.000 0.945 323 F CB 0.902 39.895 39.000 -0.011 0.000 1.310 323 F HN 0.288 nan 8.300 nan 0.000 0.467 324 V N 3.450 123.501 119.914 0.228 0.000 2.427 324 V HA 0.299 4.434 4.120 0.025 0.000 0.268 324 V C 0.987 177.207 176.094 0.210 0.000 1.046 324 V CA -0.295 62.072 62.300 0.112 0.000 0.970 324 V CB 0.704 32.569 31.823 0.069 0.000 1.001 324 V HN 0.857 nan 8.190 nan 0.000 0.476 325 R N 2.143 122.714 120.500 0.118 0.000 2.200 325 R HA 0.160 4.515 4.340 0.025 0.000 0.208 325 R C 0.069 176.413 176.300 0.074 0.000 1.033 325 R CA 0.499 56.695 56.100 0.160 0.000 1.000 325 R CB 0.264 30.618 30.300 0.090 0.000 0.906 325 R HN 0.817 nan 8.270 nan 0.000 0.462 326 D N -2.003 118.409 120.400 0.020 0.000 2.807 326 D HA 0.151 4.805 4.640 0.025 0.000 0.279 326 D C -1.845 174.414 176.300 -0.068 0.000 1.247 326 D CA -0.423 53.570 54.000 -0.011 0.000 0.749 326 D CB 1.752 42.543 40.800 -0.016 0.000 1.264 326 D HN -0.281 nan 8.370 nan 0.000 0.421 327 V N 1.872 121.719 119.914 -0.111 0.000 2.525 327 V HA 0.498 4.633 4.120 0.025 0.000 0.299 327 V C -0.350 175.487 176.094 -0.429 0.000 1.034 327 V CA -0.570 61.575 62.300 -0.258 0.000 0.863 327 V CB 1.656 33.334 31.823 -0.242 0.000 0.999 327 V HN 0.447 nan 8.190 nan 0.000 0.423 328 E N 3.325 123.229 120.200 -0.493 0.000 2.235 328 E HA 0.671 5.036 4.350 0.025 0.000 0.265 328 E C -1.652 174.498 176.600 -0.749 0.000 0.940 328 E CA -0.643 55.479 56.400 -0.462 0.000 0.819 328 E CB 2.505 32.090 29.700 -0.193 0.000 1.206 328 E HN 0.512 nan 8.360 nan 0.000 0.409 329 F N 1.178 121.057 119.950 -0.120 0.000 2.467 329 F HA 0.316 4.859 4.527 0.026 0.000 0.336 329 F C 0.180 175.918 175.800 -0.104 0.000 1.123 329 F CA -0.733 57.174 58.000 -0.156 0.000 0.964 329 F CB 1.473 40.304 39.000 -0.281 0.000 1.136 329 F HN 0.131 nan 8.300 nan 0.000 0.447 330 Q N 2.143 121.969 119.800 0.044 0.000 2.309 330 Q HA 0.670 5.025 4.340 0.025 0.000 0.264 330 Q C -1.152 174.870 176.000 0.037 0.000 1.008 330 Q CA -1.161 54.655 55.803 0.023 0.000 0.853 330 Q CB 3.159 31.890 28.738 -0.010 0.000 1.314 330 Q HN 0.412 nan 8.270 nan 0.000 0.448 331 V N 1.580 121.509 119.914 0.024 0.000 2.394 331 V HA 0.502 4.637 4.120 0.025 0.000 0.282 331 V C 0.507 176.607 176.094 0.010 0.000 1.031 331 V CA -0.527 61.786 62.300 0.022 0.000 0.881 331 V CB 1.229 33.063 31.823 0.017 0.000 0.982 331 V HN 0.893 nan 8.190 nan 0.000 0.451 332 G N 3.596 112.401 108.800 0.007 0.000 2.547 332 G HA2 0.368 4.343 3.960 0.025 0.000 0.291 332 G HA3 0.368 4.343 3.960 0.025 0.000 0.291 332 G C 0.866 175.751 174.900 -0.025 0.000 1.211 332 G CA -0.363 44.730 45.100 -0.013 0.000 0.950 332 G HN 0.865 nan 8.290 nan 0.000 0.504 333 R N -1.820 118.650 120.500 -0.050 0.000 2.120 333 R HA -0.093 4.262 4.340 0.025 0.000 0.234 333 R C 1.740 178.005 176.300 -0.058 0.000 1.123 333 R CA 2.006 58.072 56.100 -0.056 0.000 0.975 333 R CB -0.798 29.446 30.300 -0.094 0.000 0.866 333 R HN 0.467 nan 8.270 nan 0.000 0.446 334 T N -3.445 111.066 114.554 -0.072 0.000 3.235 334 T HA 0.343 4.708 4.350 0.025 0.000 0.251 334 T C 1.269 175.953 174.700 -0.027 0.000 1.060 334 T CA 0.135 62.197 62.100 -0.062 0.000 0.949 334 T CB 0.550 69.365 68.868 -0.088 0.000 1.020 334 T HN 0.563 nan 8.240 nan 0.000 0.564 335 G N 1.135 109.927 108.800 -0.013 0.000 2.253 335 G HA2 -0.132 3.843 3.960 0.025 0.000 0.251 335 G HA3 -0.132 3.843 3.960 0.025 0.000 0.251 335 G C 0.498 175.410 174.900 0.022 0.000 0.998 335 G CA -0.179 44.925 45.100 0.007 0.000 0.621 335 G HN 1.354 nan 8.290 nan 0.000 0.524 336 A N 0.242 123.073 122.820 0.019 0.000 2.587 336 A HA 0.451 4.786 4.320 0.025 0.000 0.235 336 A C 0.499 178.126 177.584 0.071 0.000 1.044 336 A CA 0.883 52.948 52.037 0.046 0.000 0.754 336 A CB -0.006 19.013 19.000 0.032 0.000 0.968 336 A HN 0.940 nan 8.150 nan 0.000 0.509 337 I N 2.898 123.544 120.570 0.127 0.000 2.359 337 I HA 0.202 4.387 4.170 0.025 0.000 0.284 337 I C -0.089 176.174 176.117 0.243 0.000 1.018 337 I CA 0.007 61.396 61.300 0.148 0.000 1.173 337 I CB 1.502 39.576 38.000 0.123 0.000 1.326 337 I HN 0.570 nan 8.210 nan 0.000 0.462 338 T N 7.813 122.466 114.554 0.165 0.000 2.767 338 T HA 0.362 4.727 4.350 0.025 0.000 0.284 338 T C -2.464 172.292 174.700 0.094 0.000 0.973 338 T CA -1.360 60.834 62.100 0.156 0.000 0.996 338 T CB 1.356 70.264 68.868 0.067 0.000 0.927 338 T HN 0.334 nan 8.240 nan 0.000 0.456 339 P HA 0.412 nan 4.420 nan 0.000 0.285 339 P C -1.122 176.065 177.300 -0.188 0.000 1.259 339 P CA -0.452 62.554 63.100 -0.157 0.000 0.794 339 P CB 1.074 32.820 31.700 0.076 0.000 0.940 340 V N 2.834 122.569 119.914 -0.297 0.000 2.577 340 V HA 0.498 4.633 4.120 0.025 0.000 0.303 340 V C 0.337 176.304 176.094 -0.211 0.000 1.042 340 V CA -0.990 61.185 62.300 -0.208 0.000 0.872 340 V CB 1.684 33.407 31.823 -0.168 0.000 0.998 340 V HN 0.707 nan 8.190 nan 0.000 0.423 341 A N 5.970 128.698 122.820 -0.153 0.000 2.366 341 A HA 0.644 4.979 4.320 0.025 0.000 0.272 341 A C 0.193 177.710 177.584 -0.112 0.000 1.135 341 A CA -0.402 51.561 52.037 -0.124 0.000 0.804 341 A CB 0.226 19.174 19.000 -0.086 0.000 1.064 341 A HN 0.711 nan 8.150 nan 0.000 0.499 342 R N 2.759 123.197 120.500 -0.103 0.000 2.229 342 R HA 0.484 4.839 4.340 0.025 0.000 0.328 342 R C -0.891 175.350 176.300 -0.099 0.000 1.009 342 R CA -0.120 55.923 56.100 -0.095 0.000 0.864 342 R CB 0.681 30.933 30.300 -0.080 0.000 1.085 342 R HN 0.697 nan 8.270 nan 0.000 0.453 343 L N 0.980 122.125 121.223 -0.129 0.000 2.313 343 L HA 0.394 4.748 4.340 0.025 0.000 0.268 343 L C 0.436 177.141 176.870 -0.276 0.000 1.010 343 L CA -1.182 53.544 54.840 -0.190 0.000 0.814 343 L CB 1.099 43.057 42.059 -0.168 0.000 1.304 343 L HN 0.365 nan 8.230 nan 0.000 0.441 344 E N 2.375 122.280 120.200 -0.492 0.000 2.217 344 E HA 0.185 4.550 4.350 0.025 0.000 0.279 344 E C -2.378 174.008 176.600 -0.356 0.000 1.068 344 E CA -1.887 54.166 56.400 -0.579 0.000 0.882 344 E CB 0.608 29.553 29.700 -1.259 0.000 1.039 344 E HN 0.097 nan 8.360 nan 0.000 0.418 345 P HA -0.137 nan 4.420 nan 0.000 0.257 345 P C -1.155 176.007 177.300 -0.231 0.000 1.162 345 P CA 0.342 63.313 63.100 -0.215 0.000 0.762 345 P CB 0.490 32.081 31.700 -0.182 0.000 0.753 346 V N 5.011 124.788 119.914 -0.228 0.000 2.925 346 V HA 0.335 4.470 4.120 0.025 0.000 0.311 346 V C -0.814 175.156 176.094 -0.207 0.000 1.104 346 V CA -0.844 61.343 62.300 -0.189 0.000 0.954 346 V CB 1.842 33.600 31.823 -0.109 0.000 1.022 346 V HN 0.476 nan 8.190 nan 0.000 0.427 347 H N 4.245 123.304 119.070 -0.017 0.000 2.690 347 H HA 0.570 5.145 4.556 0.032 0.000 0.314 347 H C -0.715 174.611 175.328 -0.003 0.000 1.069 347 H CA 0.094 56.139 56.048 -0.004 0.000 1.436 347 H CB 1.606 31.373 29.762 0.008 0.000 1.462 347 H HN 0.462 nan 8.280 nan 0.000 0.511 348 V N 1.552 121.534 119.914 0.113 0.000 2.569 348 V HA 0.280 4.415 4.120 0.025 0.000 0.301 348 V C 0.399 176.529 176.094 0.060 0.000 1.044 348 V CA -0.810 61.528 62.300 0.063 0.000 0.874 348 V CB 1.517 33.356 31.823 0.026 0.000 1.002 348 V HN 1.004 nan 8.190 nan 0.000 0.424 349 A N 3.660 126.508 122.820 0.046 0.000 2.462 349 A HA 0.095 4.430 4.320 0.025 0.000 0.294 349 A C 1.747 179.352 177.584 0.034 0.000 1.461 349 A CA 1.584 53.640 52.037 0.032 0.000 0.765 349 A CB -1.390 17.626 19.000 0.027 0.000 1.071 349 A HN 2.786 nan 8.150 nan 0.000 0.401 350 G N -3.492 105.337 108.800 0.049 0.000 2.176 350 G HA2 0.140 4.115 3.960 0.025 0.000 0.253 350 G HA3 0.140 4.115 3.960 0.025 0.000 0.253 350 G C 0.926 175.886 174.900 0.100 0.000 0.979 350 G CA 0.889 46.021 45.100 0.053 0.000 0.641 350 G HN 2.602 nan 8.290 nan 0.000 0.530 351 V N -3.085 116.907 119.914 0.131 0.000 3.188 351 V HA 0.882 5.017 4.120 0.025 0.000 0.305 351 V C -0.290 175.889 176.094 0.141 0.000 1.232 351 V CA -1.425 60.958 62.300 0.139 0.000 1.043 351 V CB 2.036 33.904 31.823 0.074 0.000 1.068 351 V HN 0.907 nan 8.190 nan 0.000 0.439 352 L N 2.334 123.596 121.223 0.064 0.000 2.265 352 L HA 0.694 5.049 4.340 0.025 0.000 0.288 352 L C -0.314 176.502 176.870 -0.090 0.000 1.058 352 L CA 0.151 54.919 54.840 -0.120 0.000 0.809 352 L CB 1.191 43.148 42.059 -0.170 0.000 1.179 352 L HN 0.663 nan 8.230 nan 0.000 0.429 353 V N 5.267 125.113 119.914 -0.115 0.000 2.394 353 V HA 0.416 4.550 4.120 0.025 0.000 0.282 353 V C 0.503 176.527 176.094 -0.117 0.000 1.031 353 V CA -0.034 62.213 62.300 -0.089 0.000 0.881 353 V CB 1.226 33.008 31.823 -0.069 0.000 0.982 353 V HN 0.983 nan 8.190 nan 0.000 0.451 354 S N 3.323 118.962 115.700 -0.101 0.000 2.649 354 S HA 0.308 4.793 4.470 0.025 0.000 0.246 354 S C 0.364 174.903 174.600 -0.101 0.000 1.057 354 S CA -0.330 57.803 58.200 -0.112 0.000 1.051 354 S CB 0.271 63.412 63.200 -0.098 0.000 1.018 354 S HN 0.794 nan 8.310 nan 0.000 0.569 355 N N 0.835 119.484 118.700 -0.086 0.000 2.329 355 N HA 0.697 5.452 4.740 0.025 0.000 0.282 355 N C -1.480 173.981 175.510 -0.081 0.000 1.198 355 N CA -0.331 52.668 53.050 -0.085 0.000 0.790 355 N CB 2.293 40.733 38.487 -0.078 0.000 1.579 355 N HN 0.181 nan 8.380 nan 0.000 0.475 356 A N 0.151 122.916 122.820 -0.092 0.000 2.540 356 A HA 0.486 4.821 4.320 0.025 0.000 0.297 356 A C -0.411 177.094 177.584 -0.132 0.000 1.056 356 A CA -0.584 51.394 52.037 -0.097 0.000 0.700 356 A CB 1.496 20.448 19.000 -0.079 0.000 1.280 356 A HN 0.440 nan 8.150 nan 0.000 0.398 357 T N 1.144 115.592 114.554 -0.178 0.000 2.918 357 T HA 0.426 4.791 4.350 0.025 0.000 0.302 357 T C 0.589 175.108 174.700 -0.301 0.000 1.045 357 T CA 0.097 62.043 62.100 -0.257 0.000 1.114 357 T CB -0.100 68.549 68.868 -0.365 0.000 0.965 357 T HN 0.501 nan 8.240 nan 0.000 0.540 358 L N 4.150 125.242 121.223 -0.219 0.000 2.808 358 L HA 0.248 4.603 4.340 0.025 0.000 0.246 358 L C 1.442 178.333 176.870 0.035 0.000 1.153 358 L CA -0.282 54.510 54.840 -0.081 0.000 0.956 358 L CB -0.267 41.784 42.059 -0.013 0.000 1.270 358 L HN 0.880 nan 8.230 nan 0.000 0.528 359 H N 0.315 119.408 119.070 0.039 0.000 4.955 359 H HA -0.261 4.310 4.556 0.025 0.000 0.059 359 H C 0.212 175.590 175.328 0.085 0.000 0.580 359 H CA 1.933 58.008 56.048 0.047 0.000 0.969 359 H CB -0.983 28.793 29.762 0.022 0.000 0.469 359 H HN 0.639 nan 8.280 nan 0.000 0.792 360 N N -1.026 117.811 118.700 0.228 0.000 3.339 360 N HA 0.555 5.310 4.740 0.025 0.000 0.275 360 N C 0.566 176.113 175.510 0.061 0.000 1.514 360 N CA 0.237 53.378 53.050 0.152 0.000 0.879 360 N CB 0.075 38.592 38.487 0.050 0.000 1.557 360 N HN 0.264 nan 8.380 nan 0.000 0.524 361 A N -0.481 122.190 122.820 -0.250 0.000 1.933 361 A HA -0.131 4.204 4.320 0.025 0.000 0.218 361 A C 1.186 178.700 177.584 -0.118 0.000 1.175 361 A CA 1.969 53.816 52.037 -0.315 0.000 0.628 361 A CB -0.992 17.548 19.000 -0.768 0.000 0.814 361 A HN 0.699 nan 8.150 nan 0.000 0.444 362 D N -0.621 119.714 120.400 -0.109 0.000 2.144 362 D HA -0.143 4.512 4.640 0.025 0.000 0.199 362 D C 1.882 178.173 176.300 -0.015 0.000 0.984 362 D CA 1.643 55.608 54.000 -0.058 0.000 0.834 362 D CB -0.251 40.514 40.800 -0.059 0.000 0.955 362 D HN 0.644 nan 8.370 nan 0.000 0.465 363 E N 0.645 120.853 120.200 0.014 0.000 2.072 363 E HA -0.090 4.275 4.350 0.025 0.000 0.191 363 E C 2.144 178.777 176.600 0.055 0.000 0.985 363 E CA 0.683 57.110 56.400 0.045 0.000 0.801 363 E CB -0.287 29.480 29.700 0.112 0.000 0.750 363 E HN 0.256 nan 8.360 nan 0.000 0.452 364 I N 0.731 121.344 120.570 0.072 0.000 2.226 364 I HA -0.221 3.964 4.170 0.025 0.000 0.245 364 I C 2.338 178.487 176.117 0.054 0.000 1.100 364 I CA 1.175 62.524 61.300 0.082 0.000 1.374 364 I CB -0.285 37.798 38.000 0.139 0.000 1.057 364 I HN 0.175 nan 8.210 nan 0.000 0.413 365 E N 0.577 120.796 120.200 0.032 0.000 2.107 365 E HA -0.196 4.169 4.350 0.025 0.000 0.191 365 E C 2.207 178.815 176.600 0.013 0.000 0.982 365 E CA 0.735 57.146 56.400 0.019 0.000 0.809 365 E CB -0.188 29.512 29.700 -0.001 0.000 0.756 365 E HN 0.392 nan 8.360 nan 0.000 0.459 366 R N 0.637 121.142 120.500 0.009 0.000 2.091 366 R HA -0.093 4.262 4.340 0.025 0.000 0.238 366 R C 2.377 178.684 176.300 0.012 0.000 1.136 366 R CA 1.013 57.116 56.100 0.005 0.000 0.959 366 R CB -0.160 30.140 30.300 -0.001 0.000 0.856 366 R HN 0.137 nan 8.270 nan 0.000 0.437 367 L N -0.712 120.524 121.223 0.021 0.000 2.313 367 L HA 0.120 4.474 4.340 0.025 0.000 0.214 367 L C 1.338 178.223 176.870 0.024 0.000 1.119 367 L CA 0.702 55.556 54.840 0.024 0.000 0.809 367 L CB -0.068 42.011 42.059 0.032 0.000 0.933 367 L HN 0.628 nan 8.230 nan 0.000 0.449 368 G N 1.196 110.012 108.800 0.027 0.000 2.160 368 G HA2 -0.322 3.653 3.960 0.025 0.000 0.251 368 G HA3 -0.322 3.653 3.960 0.025 0.000 0.251 368 G C 0.150 175.070 174.900 0.034 0.000 1.008 368 G CA 0.256 45.373 45.100 0.027 0.000 0.724 368 G HN 0.285 nan 8.290 nan 0.000 0.514 369 L N 0.598 121.846 121.223 0.041 0.000 2.453 369 L HA 0.548 4.903 4.340 0.025 0.000 0.272 369 L C 0.779 177.679 176.870 0.051 0.000 1.182 369 L CA -0.197 54.669 54.840 0.044 0.000 0.858 369 L CB 0.283 42.369 42.059 0.046 0.000 1.120 369 L HN 0.291 nan 8.230 nan 0.000 0.474 370 R N 5.339 125.866 120.500 0.046 0.000 2.807 370 R HA 0.476 4.831 4.340 0.025 0.000 0.276 370 R C -0.940 175.388 176.300 0.047 0.000 0.979 370 R CA -1.104 55.024 56.100 0.047 0.000 0.928 370 R CB 1.529 31.850 30.300 0.036 0.000 1.191 370 R HN 0.588 nan 8.270 nan 0.000 0.471 371 I N 1.592 122.191 120.570 0.048 0.000 2.587 371 I HA 0.041 4.226 4.170 0.025 0.000 0.284 371 I C 1.226 177.371 176.117 0.045 0.000 1.134 371 I CA 1.362 62.692 61.300 0.050 0.000 1.410 371 I CB 0.541 38.568 38.000 0.046 0.000 1.392 371 I HN 1.077 nan 8.210 nan 0.000 0.545 372 G N 4.048 112.889 108.800 0.070 0.000 2.278 372 G HA2 -0.200 3.775 3.960 0.025 0.000 0.210 372 G HA3 -0.200 3.775 3.960 0.025 0.000 0.210 372 G C 0.168 175.085 174.900 0.029 0.000 1.000 372 G CA -0.572 44.544 45.100 0.027 0.000 0.635 372 G HN 0.531 nan 8.290 nan 0.000 0.495 373 D N 1.086 121.520 120.400 0.056 0.000 2.419 373 D HA 0.304 4.959 4.640 0.025 0.000 0.236 373 D C 0.525 176.891 176.300 0.109 0.000 1.165 373 D CA 0.495 54.529 54.000 0.057 0.000 0.882 373 D CB 0.694 41.525 40.800 0.051 0.000 1.201 373 D HN 0.378 nan 8.370 nan 0.000 0.443 374 K N 0.899 121.350 120.400 0.086 0.000 2.156 374 K HA 0.438 4.773 4.320 0.025 0.000 0.271 374 K C -0.726 175.921 176.600 0.079 0.000 0.995 374 K CA -0.692 55.665 56.287 0.118 0.000 0.890 374 K CB 0.962 33.512 32.500 0.084 0.000 1.073 374 K HN 0.267 nan 8.250 nan 0.000 0.454 375 V N 0.121 120.079 119.914 0.074 0.000 3.040 375 V HA 0.532 4.667 4.120 0.025 0.000 0.312 375 V C -0.662 175.448 176.094 0.027 0.000 1.115 375 V CA -1.110 61.214 62.300 0.041 0.000 0.998 375 V CB 1.777 33.618 31.823 0.030 0.000 1.042 375 V HN 0.381 nan 8.190 nan 0.000 0.433 376 V N 4.343 124.268 119.914 0.017 0.000 2.383 376 V HA 0.491 4.626 4.120 0.025 0.000 0.275 376 V C -0.027 176.069 176.094 0.002 0.000 1.036 376 V CA -0.176 62.130 62.300 0.010 0.000 0.889 376 V CB 0.956 32.784 31.823 0.009 0.000 0.985 376 V HN 0.663 nan 8.190 nan 0.000 0.459 377 I N 5.445 126.013 120.570 -0.003 0.000 2.910 377 I HA 0.761 4.946 4.170 0.025 0.000 0.310 377 I C -0.033 176.080 176.117 -0.007 0.000 1.043 377 I CA -0.703 60.591 61.300 -0.011 0.000 1.053 377 I CB 2.117 40.103 38.000 -0.023 0.000 1.242 377 I HN 0.729 nan 8.210 nan 0.000 0.452 378 R N 2.578 123.072 120.500 -0.009 0.000 2.687 378 R HA 0.346 4.701 4.340 0.025 0.000 0.265 378 R C -1.762 174.536 176.300 -0.003 0.000 1.048 378 R CA -0.795 55.303 56.100 -0.004 0.000 0.884 378 R CB 1.528 31.824 30.300 -0.007 0.000 1.258 378 R HN 0.598 nan 8.270 nan 0.000 0.469 379 R N 1.908 122.412 120.500 0.007 0.000 2.408 379 R HA 0.280 4.635 4.340 0.025 0.000 0.308 379 R C -0.139 176.172 176.300 0.019 0.000 1.210 379 R CA -0.037 56.070 56.100 0.013 0.000 1.115 379 R CB 1.100 31.413 30.300 0.021 0.000 1.127 379 R HN 0.634 nan 8.270 nan 0.000 0.523 380 A N 1.010 123.833 122.820 0.006 0.000 2.565 380 A HA 0.258 4.593 4.320 0.025 0.000 0.237 380 A C 1.362 178.979 177.584 0.055 0.000 1.053 380 A CA 0.922 52.957 52.037 -0.004 0.000 0.755 380 A CB -0.071 18.911 19.000 -0.031 0.000 0.980 380 A HN 0.939 nan 8.150 nan 0.000 0.506 381 G N 1.780 110.647 108.800 0.112 0.000 2.187 381 G HA2 -0.225 3.749 3.960 0.025 0.000 0.261 381 G HA3 -0.225 3.749 3.960 0.025 0.000 0.261 381 G C 0.248 175.221 174.900 0.121 0.000 1.000 381 G CA 0.971 46.194 45.100 0.205 0.000 0.718 381 G HN 1.492 nan 8.290 nan 0.000 0.519 382 D N -3.038 117.416 120.400 0.089 0.000 2.981 382 D HA -0.170 4.485 4.640 0.025 0.000 0.223 382 D C 1.325 177.653 176.300 0.047 0.000 1.151 382 D CA 1.528 55.567 54.000 0.065 0.000 0.827 382 D CB -1.379 39.464 40.800 0.071 0.000 1.101 382 D HN 0.907 nan 8.370 nan 0.000 0.426 383 V N -1.587 118.354 119.914 0.045 0.000 3.570 383 V HA 0.159 4.294 4.120 0.025 0.000 0.193 383 V C 0.628 176.737 176.094 0.025 0.000 1.386 383 V CA -0.018 62.302 62.300 0.034 0.000 1.285 383 V CB 0.628 32.472 31.823 0.035 0.000 1.237 383 V HN 0.042 nan 8.190 nan 0.000 0.553 384 I N 2.743 123.329 120.570 0.025 0.000 2.331 384 I HA 0.413 4.598 4.170 0.025 0.000 0.292 384 I C -2.677 173.441 176.117 0.003 0.000 0.998 384 I CA -2.793 58.516 61.300 0.013 0.000 1.267 384 I CB 0.507 38.519 38.000 0.020 0.000 1.386 384 I HN 0.104 nan 8.210 nan 0.000 0.476 385 P HA 0.070 nan 4.420 nan 0.000 0.264 385 P C -0.611 176.675 177.300 -0.024 0.000 1.193 385 P CA 0.206 63.293 63.100 -0.022 0.000 0.763 385 P CB 0.483 32.161 31.700 -0.037 0.000 0.810 386 Q N 2.260 122.050 119.800 -0.017 0.000 2.331 386 Q HA 0.410 4.764 4.340 0.025 0.000 0.272 386 Q C -1.648 174.348 176.000 -0.007 0.000 1.062 386 Q CA -0.847 54.953 55.803 -0.005 0.000 0.806 386 Q CB 1.734 30.475 28.738 0.006 0.000 1.312 386 Q HN 0.085 nan 8.270 nan 0.000 0.431 387 V N 5.165 125.079 119.914 0.001 0.000 2.372 387 V HA 0.074 4.209 4.120 0.025 0.000 0.261 387 V C 1.041 177.142 176.094 0.013 0.000 1.055 387 V CA 0.004 62.306 62.300 0.002 0.000 0.930 387 V CB 0.950 32.775 31.823 0.003 0.000 1.031 387 V HN 0.831 nan 8.190 nan 0.000 0.479 388 V N 4.831 124.747 119.914 0.004 0.000 2.255 388 V HA -0.017 4.117 4.120 0.025 0.000 0.243 388 V C 0.874 176.972 176.094 0.006 0.000 1.038 388 V CA 1.684 63.984 62.300 0.000 0.000 1.008 388 V CB -0.419 31.401 31.823 -0.006 0.000 0.645 388 V HN 1.071 nan 8.190 nan 0.000 0.449 389 N N -1.940 116.766 118.700 0.009 0.000 3.046 389 N HA 0.274 5.028 4.740 0.025 0.000 0.243 389 N C -1.528 173.992 175.510 0.017 0.000 1.452 389 N CA -0.528 52.529 53.050 0.013 0.000 0.882 389 N CB 2.416 40.908 38.487 0.009 0.000 1.425 389 N HN -0.046 nan 8.380 nan 0.000 0.517 390 V N 0.551 120.478 119.914 0.020 0.000 2.785 390 V HA 0.274 4.408 4.120 0.025 0.000 0.300 390 V C 0.154 176.261 176.094 0.022 0.000 1.062 390 V CA -0.639 61.676 62.300 0.025 0.000 1.029 390 V CB 1.638 33.477 31.823 0.026 0.000 1.024 390 V HN 0.504 nan 8.190 nan 0.000 0.477 391 V N 6.005 125.934 119.914 0.025 0.000 2.218 391 V HA 0.183 4.317 4.120 0.025 0.000 0.261 391 V C 1.214 177.319 176.094 0.017 0.000 1.142 391 V CA -0.020 62.292 62.300 0.021 0.000 0.965 391 V CB 0.407 32.245 31.823 0.025 0.000 1.190 391 V HN 0.748 nan 8.190 nan 0.000 0.478 392 L N 2.184 123.416 121.223 0.014 0.000 2.051 392 L HA -0.227 4.128 4.340 0.025 0.000 0.214 392 L C 2.661 179.535 176.870 0.007 0.000 1.076 392 L CA 2.282 57.128 54.840 0.011 0.000 0.758 392 L CB -0.250 41.814 42.059 0.009 0.000 0.890 392 L HN 0.770 nan 8.230 nan 0.000 0.433 393 S N -0.374 115.331 115.700 0.007 0.000 2.423 393 S HA -0.244 4.241 4.470 0.025 0.000 0.238 393 S C 1.410 176.011 174.600 0.002 0.000 1.028 393 S CA 1.819 60.021 58.200 0.004 0.000 1.000 393 S CB -0.195 63.008 63.200 0.005 0.000 0.797 393 S HN 0.565 nan 8.310 nan 0.000 0.487 394 E N 0.109 120.312 120.200 0.005 0.000 2.548 394 E HA 0.169 4.534 4.350 0.025 0.000 0.206 394 E C 0.289 176.885 176.600 -0.007 0.000 1.005 394 E CA -0.388 56.012 56.400 0.000 0.000 0.951 394 E CB 0.336 30.041 29.700 0.008 0.000 1.035 394 E HN 0.414 nan 8.360 nan 0.000 0.470 395 R N 2.795 123.293 120.500 -0.004 0.000 2.480 395 R HA 0.041 4.396 4.340 0.025 0.000 0.303 395 R C -2.298 173.988 176.300 -0.024 0.000 0.985 395 R CA -1.056 55.039 56.100 -0.009 0.000 1.051 395 R CB 0.210 30.509 30.300 -0.002 0.000 0.935 395 R HN -0.189 nan 8.270 nan 0.000 0.410 396 P HA 0.002 nan 4.420 nan 0.000 0.269 396 P C -0.155 177.122 177.300 -0.039 0.000 1.215 396 P CA -0.139 62.926 63.100 -0.057 0.000 0.780 396 P CB 0.690 32.333 31.700 -0.096 0.000 0.898 397 E N 0.296 120.474 120.200 -0.037 0.000 2.130 397 E HA -0.186 4.179 4.350 0.025 0.000 0.196 397 E C 0.508 177.093 176.600 -0.025 0.000 0.998 397 E CA 1.130 57.514 56.400 -0.026 0.000 0.806 397 E CB 0.006 29.691 29.700 -0.025 0.000 0.738 397 E HN 0.542 nan 8.360 nan 0.000 0.459 398 D N 1.061 121.441 120.400 -0.033 0.000 2.427 398 D HA 0.062 4.717 4.640 0.025 0.000 0.226 398 D C -0.894 175.389 176.300 -0.029 0.000 1.076 398 D CA -0.037 53.947 54.000 -0.028 0.000 0.849 398 D CB 0.915 41.698 40.800 -0.030 0.000 1.052 398 D HN -0.024 nan 8.370 nan 0.000 0.515 399 T N 0.895 115.440 114.554 -0.014 0.000 2.906 399 T HA 0.644 5.009 4.350 0.025 0.000 0.295 399 T C -0.119 174.586 174.700 0.008 0.000 1.061 399 T CA -1.037 61.060 62.100 -0.005 0.000 1.000 399 T CB 2.041 70.909 68.868 0.001 0.000 1.103 399 T HN 0.296 nan 8.240 nan 0.000 0.486 400 R N 1.004 121.515 120.500 0.018 0.000 2.562 400 R HA 0.471 4.826 4.340 0.025 0.000 0.298 400 R C -0.232 176.093 176.300 0.041 0.000 0.961 400 R CA -0.891 55.226 56.100 0.028 0.000 0.881 400 R CB 2.058 32.376 30.300 0.030 0.000 1.159 400 R HN 0.831 nan 8.270 nan 0.000 0.450 401 E N 2.005 122.231 120.200 0.044 0.000 2.392 401 E HA 0.053 4.418 4.350 0.025 0.000 0.264 401 E C -0.760 175.890 176.600 0.083 0.000 1.024 401 E CA -0.286 56.149 56.400 0.058 0.000 0.903 401 E CB 0.932 30.662 29.700 0.051 0.000 0.963 401 E HN 0.209 nan 8.360 nan 0.000 0.432 402 V N 5.332 125.311 119.914 0.109 0.000 2.385 402 V HA 0.122 4.257 4.120 0.025 0.000 0.269 402 V C -0.229 175.983 176.094 0.196 0.000 1.043 402 V CA -0.535 61.868 62.300 0.171 0.000 0.906 402 V CB 1.218 33.153 31.823 0.187 0.000 0.995 402 V HN 0.447 nan 8.190 nan 0.000 0.467 403 V N 6.444 126.469 119.914 0.185 0.000 2.311 403 V HA 0.320 4.455 4.120 0.025 0.000 0.275 403 V C -0.053 176.039 176.094 -0.004 0.000 1.022 403 V CA -0.570 61.792 62.300 0.103 0.000 0.830 403 V CB 0.920 32.767 31.823 0.041 0.000 1.012 403 V HN 0.671 nan 8.190 nan 0.000 0.452 404 F N 8.752 128.628 119.950 -0.124 0.000 2.578 404 F HA 0.273 4.815 4.527 0.024 0.000 0.381 404 F C -1.163 174.367 175.800 -0.450 0.000 1.069 404 F CA -1.615 56.161 58.000 -0.373 0.000 1.231 404 F CB 0.687 39.589 39.000 -0.164 0.000 1.086 404 F HN 0.368 nan 8.300 nan 0.000 0.564 405 P HA 0.018 nan 4.420 nan 0.000 0.268 405 P C 0.099 177.230 177.300 -0.281 0.000 1.204 405 P CA 0.002 62.785 63.100 -0.528 0.000 0.768 405 P CB 0.786 32.100 31.700 -0.643 0.000 0.842 406 T N -2.003 112.384 114.554 -0.279 0.000 3.040 406 T HA 0.105 4.470 4.350 0.025 0.000 0.250 406 T C 0.517 174.833 174.700 -0.641 0.000 1.058 406 T CA 0.252 62.113 62.100 -0.399 0.000 0.988 406 T CB -0.254 68.335 68.868 -0.464 0.000 0.993 406 T HN 0.469 nan 8.240 nan 0.000 0.519 407 H N 0.065 119.091 119.070 -0.072 0.000 2.759 407 H HA 0.369 4.940 4.556 0.025 0.000 0.354 407 H C -0.379 174.903 175.328 -0.076 0.000 1.074 407 H CA -1.607 54.408 56.048 -0.055 0.000 1.226 407 H CB 1.130 30.865 29.762 -0.044 0.000 1.648 407 H HN 0.222 nan 8.280 nan 0.000 0.529 408 C N 5.068 124.401 119.300 0.056 0.000 2.538 408 C HA 0.026 4.501 4.460 0.025 0.000 0.408 408 C C -0.899 174.096 174.990 0.008 0.000 1.421 408 C CA -0.692 58.331 59.018 0.008 0.000 1.642 408 C CB -0.360 27.391 27.740 0.019 0.000 2.553 408 C HN 0.615 nan 8.230 nan 0.000 0.604 409 P HA -0.033 nan 4.420 nan 0.000 0.239 409 P C 1.007 178.312 177.300 0.008 0.000 1.184 409 P CA 0.840 63.940 63.100 0.001 0.000 0.760 409 P CB 0.112 31.820 31.700 0.013 0.000 0.884 410 V N -0.917 119.002 119.914 0.008 0.000 2.870 410 V HA -0.058 4.077 4.120 0.025 0.000 0.232 410 V C 2.257 178.354 176.094 0.005 0.000 1.161 410 V CA 1.430 63.734 62.300 0.006 0.000 1.204 410 V CB -0.812 31.015 31.823 0.007 0.000 1.003 410 V HN 0.217 nan 8.190 nan 0.000 0.499 411 C N 0.631 119.935 119.300 0.008 0.000 2.697 411 C HA 0.588 5.063 4.460 0.025 0.000 0.267 411 C C 2.092 177.084 174.990 0.004 0.000 1.278 411 C CA -0.076 58.945 59.018 0.006 0.000 1.708 411 C CB -0.534 27.212 27.740 0.010 0.000 1.860 411 C HN 1.029 nan 8.230 nan 0.000 0.589 412 G N 1.417 110.223 108.800 0.011 0.000 2.257 412 G HA2 -0.290 3.685 3.960 0.025 0.000 0.267 412 G HA3 -0.290 3.685 3.960 0.025 0.000 0.267 412 G C 0.433 175.352 174.900 0.031 0.000 0.984 412 G CA 0.637 45.741 45.100 0.007 0.000 0.626 412 G HN 0.751 nan 8.290 nan 0.000 0.540 413 S N 0.948 116.673 115.700 0.041 0.000 2.589 413 S HA 0.311 4.796 4.470 0.025 0.000 0.256 413 S C 0.433 175.119 174.600 0.143 0.000 1.383 413 S CA 0.100 58.338 58.200 0.064 0.000 0.983 413 S CB 0.425 63.650 63.200 0.042 0.000 0.908 413 S HN 0.420 nan 8.310 nan 0.000 0.572 414 D N 0.546 121.030 120.400 0.141 0.000 2.339 414 D HA 0.319 4.973 4.640 0.025 0.000 0.245 414 D C -0.356 175.970 176.300 0.044 0.000 1.115 414 D CA -0.136 53.949 54.000 0.141 0.000 0.917 414 D CB 0.819 41.680 40.800 0.101 0.000 1.192 414 D HN 0.102 nan 8.370 nan 0.000 0.428 415 V N 1.442 121.343 119.914 -0.020 0.000 2.481 415 V HA 0.174 4.309 4.120 0.025 0.000 0.286 415 V C 0.395 176.487 176.094 -0.003 0.000 1.042 415 V CA -0.537 61.757 62.300 -0.010 0.000 0.928 415 V CB 1.571 33.379 31.823 -0.026 0.000 0.986 415 V HN 0.450 nan 8.190 nan 0.000 0.462 416 E N 4.456 124.666 120.200 0.016 0.000 2.145 416 E HA 0.529 4.894 4.350 0.025 0.000 0.270 416 E C -0.692 175.915 176.600 0.012 0.000 0.906 416 E CA -0.964 55.443 56.400 0.012 0.000 0.761 416 E CB 1.273 30.983 29.700 0.017 0.000 1.116 416 E HN 0.565 nan 8.360 nan 0.000 0.408 417 R N 4.539 125.037 120.500 -0.004 0.000 2.363 417 R HA 0.244 4.599 4.340 0.025 0.000 0.297 417 R C -1.546 174.744 176.300 -0.018 0.000 1.208 417 R CA -0.504 55.584 56.100 -0.019 0.000 1.121 417 R CB 0.584 30.855 30.300 -0.048 0.000 1.124 417 R HN 0.300 nan 8.270 nan 0.000 0.561 418 V N 4.364 124.273 119.914 -0.008 0.000 2.763 418 V HA 0.004 4.139 4.120 0.025 0.000 0.306 418 V C 0.446 176.533 176.094 -0.012 0.000 1.059 418 V CA -0.181 62.117 62.300 -0.005 0.000 1.138 418 V CB 0.472 32.299 31.823 0.006 0.000 0.940 418 V HN 0.832 nan 8.190 nan 0.000 0.489 419 E N 3.597 123.792 120.200 -0.010 0.000 2.820 419 E HA 0.174 4.538 4.350 0.025 0.000 0.251 419 E C 1.143 177.736 176.600 -0.012 0.000 0.944 419 E CA 0.462 56.854 56.400 -0.012 0.000 0.955 419 E CB -0.375 29.320 29.700 -0.008 0.000 0.904 419 E HN 1.112 nan 8.360 nan 0.000 0.513 420 G N 2.789 111.578 108.800 -0.018 0.000 2.234 420 G HA2 -0.400 3.575 3.960 0.025 0.000 0.260 420 G HA3 -0.400 3.575 3.960 0.025 0.000 0.260 420 G C 0.116 175.005 174.900 -0.019 0.000 0.987 420 G CA 0.617 45.707 45.100 -0.017 0.000 0.625 420 G HN 0.863 nan 8.290 nan 0.000 0.532 421 E N -0.085 120.103 120.200 -0.019 0.000 2.283 421 E HA 0.800 5.165 4.350 0.025 0.000 0.271 421 E C 1.137 177.717 176.600 -0.033 0.000 1.031 421 E CA -0.191 56.198 56.400 -0.018 0.000 0.868 421 E CB 1.644 31.340 29.700 -0.007 0.000 1.094 421 E HN 0.591 nan 8.360 nan 0.000 0.401 422 A N 2.871 125.671 122.820 -0.033 0.000 2.095 422 A HA 0.161 4.496 4.320 0.025 0.000 0.212 422 A C 0.643 178.194 177.584 -0.055 0.000 1.162 422 A CA -0.057 51.950 52.037 -0.052 0.000 0.753 422 A CB 0.145 19.119 19.000 -0.043 0.000 0.840 422 A HN 0.379 nan 8.150 nan 0.000 0.468 423 V N 0.968 120.869 119.914 -0.022 0.000 2.498 423 V HA 0.538 4.673 4.120 0.025 0.000 0.279 423 V C 0.456 176.555 176.094 0.009 0.000 1.048 423 V CA -0.119 62.183 62.300 0.004 0.000 0.967 423 V CB 0.889 32.725 31.823 0.022 0.000 0.988 423 V HN 0.458 nan 8.190 nan 0.000 0.473 424 A N 6.406 129.254 122.820 0.047 0.000 2.337 424 A HA 0.940 5.274 4.320 0.025 0.000 0.329 424 A C -0.102 177.552 177.584 0.117 0.000 1.146 424 A CA -0.799 51.286 52.037 0.081 0.000 0.800 424 A CB 1.011 20.095 19.000 0.139 0.000 1.220 424 A HN 0.985 nan 8.150 nan 0.000 0.472 425 R N 0.529 121.074 120.500 0.075 0.000 2.799 425 R HA 0.681 5.036 4.340 0.025 0.000 0.270 425 R C -0.722 175.603 176.300 0.042 0.000 1.010 425 R CA -0.619 55.517 56.100 0.060 0.000 0.916 425 R CB 0.698 31.022 30.300 0.039 0.000 1.228 425 R HN 0.690 nan 8.270 nan 0.000 0.469 426 C N 1.712 121.032 119.300 0.033 0.000 2.593 426 C HA 0.300 4.775 4.460 0.025 0.000 0.409 426 C C 1.693 176.698 174.990 0.026 0.000 1.304 426 C CA 0.495 59.529 59.018 0.027 0.000 2.007 426 C CB 0.336 28.089 27.740 0.022 0.000 2.614 426 C HN 0.945 nan 8.230 nan 0.000 0.585 427 T N 1.683 116.254 114.554 0.028 0.000 3.069 427 T HA 0.175 4.540 4.350 0.025 0.000 0.252 427 T C 1.592 176.307 174.700 0.024 0.000 1.053 427 T CA 0.686 62.802 62.100 0.027 0.000 0.964 427 T CB -0.044 68.841 68.868 0.028 0.000 1.005 427 T HN 0.953 nan 8.240 nan 0.000 0.532 428 G N 1.400 110.214 108.800 0.023 0.000 2.448 428 G HA2 0.296 4.271 3.960 0.025 0.000 0.219 428 G HA3 0.296 4.271 3.960 0.025 0.000 0.219 428 G C 1.274 176.184 174.900 0.017 0.000 1.127 428 G CA 0.336 45.448 45.100 0.019 0.000 0.766 428 G HN 1.038 nan 8.290 nan 0.000 0.552 429 G N 0.297 109.108 108.800 0.018 0.000 2.565 429 G HA2 -0.354 3.621 3.960 0.025 0.000 0.295 429 G HA3 -0.354 3.621 3.960 0.025 0.000 0.295 429 G C 1.101 176.011 174.900 0.017 0.000 1.165 429 G CA 0.396 45.507 45.100 0.017 0.000 0.977 429 G HN 0.644 nan 8.290 nan 0.000 0.546 430 L N 1.183 122.415 121.223 0.016 0.000 2.465 430 L HA 0.189 4.544 4.340 0.025 0.000 0.224 430 L C 2.714 179.595 176.870 0.017 0.000 1.145 430 L CA 0.744 55.594 54.840 0.017 0.000 0.834 430 L CB -0.359 41.708 42.059 0.012 0.000 0.944 430 L HN 0.485 nan 8.230 nan 0.000 0.451 431 I N -1.422 119.156 120.570 0.014 0.000 2.584 431 I HA -0.137 4.048 4.170 0.025 0.000 0.255 431 I C 1.433 177.559 176.117 0.015 0.000 1.145 431 I CA 0.046 61.353 61.300 0.012 0.000 1.462 431 I CB -0.101 37.904 38.000 0.008 0.000 1.102 431 I HN 0.210 nan 8.210 nan 0.000 0.433 432 C N 2.462 121.772 119.300 0.015 0.000 2.624 432 C HA 0.303 4.778 4.460 0.025 0.000 0.397 432 C C 2.110 177.109 174.990 0.015 0.000 1.331 432 C CA -0.295 58.731 59.018 0.014 0.000 1.716 432 C CB -0.500 27.248 27.740 0.014 0.000 2.452 432 C HN 0.637 nan 8.230 nan 0.000 0.586 433 G N 4.093 112.901 108.800 0.013 0.000 2.422 433 G HA2 -0.034 3.941 3.960 0.025 0.000 0.218 433 G HA3 -0.034 3.941 3.960 0.025 0.000 0.218 433 G C 1.608 176.513 174.900 0.008 0.000 1.140 433 G CA 0.904 46.011 45.100 0.012 0.000 0.775 433 G HN 1.032 nan 8.290 nan 0.000 0.545 434 A N 0.458 123.282 122.820 0.007 0.000 1.898 434 A HA -0.032 4.303 4.320 0.025 0.000 0.216 434 A C 2.322 179.909 177.584 0.005 0.000 1.181 434 A CA 1.737 53.777 52.037 0.005 0.000 0.620 434 A CB -0.364 18.640 19.000 0.006 0.000 0.819 434 A HN 0.425 nan 8.150 nan 0.000 0.442 435 Q N -0.620 119.184 119.800 0.007 0.000 2.084 435 Q HA -0.165 4.190 4.340 0.025 0.000 0.202 435 Q C 2.368 178.373 176.000 0.008 0.000 0.978 435 Q CA 1.464 57.270 55.803 0.004 0.000 0.844 435 Q CB -0.199 28.543 28.738 0.006 0.000 0.898 435 Q HN 0.612 nan 8.270 nan 0.000 0.426 436 R N 0.932 121.439 120.500 0.012 0.000 2.083 436 R HA -0.157 4.198 4.340 0.025 0.000 0.237 436 R C 2.278 178.584 176.300 0.010 0.000 1.137 436 R CA 1.617 57.725 56.100 0.015 0.000 0.951 436 R CB -0.135 30.178 30.300 0.022 0.000 0.851 436 R HN 0.144 nan 8.270 nan 0.000 0.434 437 K N 0.291 120.695 120.400 0.007 0.000 1.991 437 K HA -0.150 4.184 4.320 0.025 0.000 0.212 437 K C 2.065 178.675 176.600 0.017 0.000 1.049 437 K CA 1.332 57.622 56.287 0.006 0.000 0.932 437 K CB -0.052 32.449 32.500 0.001 0.000 0.717 437 K HN 0.088 nan 8.250 nan 0.000 0.441 438 E N 0.614 120.822 120.200 0.015 0.000 2.160 438 E HA -0.166 4.199 4.350 0.025 0.000 0.195 438 E C 2.103 178.727 176.600 0.040 0.000 0.991 438 E CA 0.928 57.340 56.400 0.020 0.000 0.810 438 E CB -0.318 29.381 29.700 -0.001 0.000 0.742 438 E HN 0.171 nan 8.360 nan 0.000 0.466 439 S N 0.294 116.014 115.700 0.033 0.000 2.355 439 S HA -0.056 4.429 4.470 0.025 0.000 0.222 439 S C 2.065 176.727 174.600 0.103 0.000 1.031 439 S CA 0.636 58.870 58.200 0.056 0.000 0.993 439 S CB -0.139 63.078 63.200 0.028 0.000 0.859 439 S HN 0.171 nan 8.310 nan 0.000 0.453 440 L N 0.871 122.131 121.223 0.061 0.000 2.083 440 L HA -0.063 4.292 4.340 0.025 0.000 0.209 440 L C 2.707 179.648 176.870 0.119 0.000 1.083 440 L CA 1.325 56.204 54.840 0.066 0.000 0.752 440 L CB -0.418 41.643 42.059 0.003 0.000 0.899 440 L HN 0.317 nan 8.230 nan 0.000 0.433 441 K N -0.637 119.816 120.400 0.089 0.000 2.057 441 K HA -0.255 4.080 4.320 0.025 0.000 0.207 441 K C 2.211 178.875 176.600 0.107 0.000 1.049 441 K CA 1.482 57.818 56.287 0.081 0.000 0.931 441 K CB -0.071 32.465 32.500 0.060 0.000 0.714 441 K HN 0.234 nan 8.250 nan 0.000 0.440 442 H N -0.779 118.299 119.070 0.013 0.000 2.389 442 H HA -0.111 4.459 4.556 0.025 0.000 0.299 442 H C 1.647 176.946 175.328 -0.048 0.000 1.081 442 H CA 1.720 57.741 56.048 -0.045 0.000 1.345 442 H CB -0.206 29.496 29.762 -0.100 0.000 1.393 442 H HN 0.215 nan 8.280 nan 0.000 0.520 443 F N 0.039 119.904 119.950 -0.142 0.000 2.171 443 F HA -0.126 4.416 4.527 0.025 0.000 0.300 443 F C 1.932 177.658 175.800 -0.124 0.000 1.090 443 F CA 1.290 59.189 58.000 -0.169 0.000 1.293 443 F CB -0.214 38.752 39.000 -0.056 0.000 1.013 443 F HN 0.048 nan 8.300 nan 0.000 0.486 444 V N 0.437 120.387 119.914 0.061 0.000 3.541 444 V HA -0.027 4.108 4.120 0.025 0.000 0.267 444 V C 1.134 177.199 176.094 -0.049 0.000 1.213 444 V CA 0.624 62.930 62.300 0.011 0.000 1.149 444 V CB -1.317 30.552 31.823 0.077 0.000 0.822 444 V HN 0.411 nan 8.190 nan 0.000 0.462 445 S N 0.562 116.209 115.700 -0.089 0.000 2.580 445 S HA 0.019 4.504 4.470 0.025 0.000 0.266 445 S C 1.287 175.864 174.600 -0.039 0.000 1.354 445 S CA 0.089 58.260 58.200 -0.049 0.000 1.008 445 S CB 0.679 63.854 63.200 -0.042 0.000 0.898 445 S HN 0.443 nan 8.310 nan 0.000 0.555 446 R N 1.043 121.544 120.500 0.001 0.000 2.139 446 R HA -0.089 4.266 4.340 0.025 0.000 0.243 446 R C 1.965 178.270 176.300 0.009 0.000 1.145 446 R CA 1.667 57.770 56.100 0.006 0.000 0.976 446 R CB -0.173 30.136 30.300 0.015 0.000 0.866 446 R HN 0.764 nan 8.270 nan 0.000 0.449 447 R N -0.826 119.699 120.500 0.042 0.000 2.317 447 R HA 0.232 4.587 4.340 0.025 0.000 0.208 447 R C 0.587 176.964 176.300 0.129 0.000 0.914 447 R CA 0.223 56.350 56.100 0.044 0.000 1.060 447 R CB 0.838 31.136 30.300 -0.004 0.000 1.015 447 R HN 0.226 nan 8.270 nan 0.000 0.498 448 A N 0.599 123.442 122.820 0.039 0.000 3.388 448 A HA 0.236 4.570 4.320 0.025 0.000 0.200 448 A C 1.099 178.589 177.584 -0.156 0.000 1.866 448 A CA -0.311 51.666 52.037 -0.099 0.000 1.898 448 A CB 0.088 18.842 19.000 -0.410 0.000 1.383 448 A HN -0.010 nan 8.150 nan 0.000 0.410 449 M N 0.125 119.543 119.600 -0.304 0.000 2.595 449 M HA 0.082 4.576 4.480 0.025 0.000 0.248 449 M C 0.064 176.331 176.300 -0.055 0.000 1.119 449 M CA 0.745 55.926 55.300 -0.197 0.000 1.079 449 M CB -1.319 31.072 32.600 -0.350 0.000 1.472 449 M HN 0.687 nan 8.290 nan 0.000 0.501 450 D N 1.386 121.751 120.400 -0.059 0.000 2.803 450 D HA -0.137 4.518 4.640 0.025 0.000 0.233 450 D C -0.930 175.379 176.300 0.016 0.000 1.182 450 D CA 0.166 54.159 54.000 -0.012 0.000 0.726 450 D CB -0.759 40.042 40.800 0.001 0.000 0.987 450 D HN 0.098 nan 8.370 nan 0.000 0.412 451 V N 2.162 122.086 119.914 0.017 0.000 2.322 451 V HA 0.185 4.320 4.120 0.025 0.000 0.258 451 V C 0.678 176.786 176.094 0.024 0.000 1.074 451 V CA -0.647 61.672 62.300 0.031 0.000 0.909 451 V CB 0.786 32.622 31.823 0.023 0.000 1.090 451 V HN 0.239 nan 8.190 nan 0.000 0.486 452 D N 3.889 124.307 120.400 0.029 0.000 2.488 452 D HA 0.400 5.055 4.640 0.025 0.000 0.238 452 D C 1.296 177.611 176.300 0.025 0.000 1.138 452 D CA 1.772 55.788 54.000 0.027 0.000 0.873 452 D CB 0.745 41.565 40.800 0.033 0.000 1.183 452 D HN 0.793 nan 8.370 nan 0.000 0.458 453 G N 1.956 110.769 108.800 0.022 0.000 2.234 453 G HA2 -0.265 3.709 3.960 0.025 0.000 0.235 453 G HA3 -0.265 3.709 3.960 0.025 0.000 0.235 453 G C 0.288 175.197 174.900 0.014 0.000 0.997 453 G CA -0.361 44.751 45.100 0.020 0.000 0.623 453 G HN 0.448 nan 8.290 nan 0.000 0.514 454 M N 2.133 121.740 119.600 0.012 0.000 2.151 454 M HA 0.501 4.996 4.480 0.025 0.000 0.349 454 M C 0.834 177.141 176.300 0.012 0.000 1.284 454 M CA 0.539 55.843 55.300 0.008 0.000 1.173 454 M CB 0.594 33.196 32.600 0.004 0.000 1.469 454 M HN 0.331 nan 8.290 nan 0.000 0.439 455 G N 2.038 110.844 108.800 0.010 0.000 2.932 455 G HA2 0.379 4.354 3.960 0.025 0.000 0.283 455 G HA3 0.379 4.354 3.960 0.025 0.000 0.283 455 G C -0.074 174.830 174.900 0.007 0.000 1.336 455 G CA -0.515 44.591 45.100 0.011 0.000 1.056 455 G HN 0.554 nan 8.290 nan 0.000 0.522 456 D N -0.136 120.268 120.400 0.008 0.000 2.133 456 D HA -0.124 4.531 4.640 0.025 0.000 0.192 456 D C 2.318 178.615 176.300 -0.004 0.000 1.001 456 D CA 1.185 55.187 54.000 0.003 0.000 0.844 456 D CB 0.282 41.083 40.800 0.002 0.000 0.944 456 D HN 0.166 nan 8.370 nan 0.000 0.447 457 K N 0.162 120.558 120.400 -0.005 0.000 2.002 457 K HA -0.084 4.251 4.320 0.025 0.000 0.209 457 K C 2.233 178.822 176.600 -0.017 0.000 1.048 457 K CA 0.435 56.716 56.287 -0.012 0.000 0.930 457 K CB -0.729 31.766 32.500 -0.008 0.000 0.714 457 K HN 0.215 nan 8.250 nan 0.000 0.438 458 I N 1.605 122.168 120.570 -0.012 0.000 2.286 458 I HA -0.205 3.980 4.170 0.025 0.000 0.248 458 I C 1.841 177.945 176.117 -0.022 0.000 1.115 458 I CA 1.033 62.324 61.300 -0.015 0.000 1.392 458 I CB -0.111 37.887 38.000 -0.005 0.000 1.065 458 I HN 0.001 nan 8.210 nan 0.000 0.418 459 I N 0.404 120.964 120.570 -0.016 0.000 2.252 459 I HA -0.242 3.943 4.170 0.025 0.000 0.245 459 I C 2.248 178.347 176.117 -0.030 0.000 1.102 459 I CA 1.594 62.883 61.300 -0.019 0.000 1.385 459 I CB -1.581 36.416 38.000 -0.004 0.000 1.064 459 I HN 0.319 nan 8.210 nan 0.000 0.414 460 D N 0.577 120.960 120.400 -0.028 0.000 2.104 460 D HA -0.283 4.372 4.640 0.025 0.000 0.194 460 D C 2.274 178.540 176.300 -0.057 0.000 0.994 460 D CA 1.558 55.537 54.000 -0.034 0.000 0.830 460 D CB 0.012 40.796 40.800 -0.028 0.000 0.959 460 D HN 0.310 nan 8.370 nan 0.000 0.452 461 Q N -0.545 119.214 119.800 -0.069 0.000 2.119 461 Q HA -0.097 4.258 4.340 0.025 0.000 0.201 461 Q C 2.290 178.187 176.000 -0.170 0.000 0.972 461 Q CA 0.867 56.603 55.803 -0.111 0.000 0.847 461 Q CB -0.059 28.618 28.738 -0.102 0.000 0.903 461 Q HN 0.390 nan 8.270 nan 0.000 0.433 462 L N -0.412 120.736 121.223 -0.125 0.000 2.093 462 L HA -0.149 4.206 4.340 0.025 0.000 0.208 462 L C 2.212 179.013 176.870 -0.115 0.000 1.085 462 L CA 0.644 55.413 54.840 -0.120 0.000 0.755 462 L CB -0.146 41.893 42.059 -0.033 0.000 0.904 462 L HN 0.154 nan 8.230 nan 0.000 0.435 463 V N -0.936 118.927 119.914 -0.086 0.000 2.649 463 V HA -0.156 3.979 4.120 0.025 0.000 0.248 463 V C 2.334 178.392 176.094 -0.060 0.000 1.054 463 V CA 1.166 63.429 62.300 -0.061 0.000 1.073 463 V CB -0.082 31.721 31.823 -0.033 0.000 0.699 463 V HN 0.322 nan 8.190 nan 0.000 0.463 464 E N 1.159 121.309 120.200 -0.084 0.000 2.047 464 E HA -0.145 4.220 4.350 0.025 0.000 0.191 464 E C 1.883 178.421 176.600 -0.104 0.000 0.987 464 E CA 1.283 57.636 56.400 -0.078 0.000 0.799 464 E CB -0.123 29.527 29.700 -0.084 0.000 0.752 464 E HN 0.465 nan 8.360 nan 0.000 0.449 465 K N 0.863 121.139 120.400 -0.207 0.000 2.504 465 K HA 0.021 4.356 4.320 0.025 0.000 0.199 465 K C -0.445 176.075 176.600 -0.134 0.000 1.028 465 K CA 0.184 56.305 56.287 -0.277 0.000 1.164 465 K CB 0.344 32.446 32.500 -0.664 0.000 0.877 465 K HN 0.025 nan 8.250 nan 0.000 0.508 466 E N -0.565 119.612 120.200 -0.038 0.000 2.403 466 E HA -0.284 4.081 4.350 0.025 0.000 0.241 466 E C -0.056 176.591 176.600 0.078 0.000 1.201 466 E CA 0.986 57.423 56.400 0.062 0.000 0.721 466 E CB -1.980 27.839 29.700 0.198 0.000 1.245 466 E HN 0.619 nan 8.360 nan 0.000 0.392 467 Y N -1.262 118.931 120.300 -0.178 0.000 2.365 467 Y HA 0.028 4.593 4.550 0.025 0.000 0.293 467 Y C 1.411 177.120 175.900 -0.318 0.000 1.119 467 Y CA 0.310 58.302 58.100 -0.181 0.000 1.203 467 Y CB 0.857 39.255 38.460 -0.103 0.000 1.026 467 Y HN -0.092 nan 8.280 nan 0.000 0.549 468 V N -0.205 119.568 119.914 -0.234 0.000 2.680 468 V HA 0.210 4.345 4.120 0.025 0.000 0.309 468 V C -0.242 175.565 176.094 -0.479 0.000 1.052 468 V CA -0.717 61.401 62.300 -0.303 0.000 0.908 468 V CB 1.836 33.585 31.823 -0.124 0.000 1.001 468 V HN 0.229 nan 8.190 nan 0.000 0.431 469 H N 1.227 120.305 119.070 0.013 0.000 3.266 469 H HA 0.234 4.805 4.556 0.025 0.000 0.246 469 H C 0.566 175.883 175.328 -0.018 0.000 0.998 469 H CA 0.933 56.983 56.048 0.003 0.000 1.152 469 H CB 1.536 31.304 29.762 0.011 0.000 1.466 469 H HN 0.745 nan 8.280 nan 0.000 0.481 470 T N -2.533 112.054 114.554 0.055 0.000 2.843 470 T HA 0.255 4.620 4.350 0.025 0.000 0.302 470 T C -2.332 172.302 174.700 -0.109 0.000 1.232 470 T CA -1.797 60.294 62.100 -0.016 0.000 1.009 470 T CB 2.799 71.680 68.868 0.022 0.000 1.254 470 T HN -0.336 nan 8.240 nan 0.000 0.504 471 P HA -0.135 nan 4.420 nan 0.000 0.216 471 P C 1.714 178.928 177.300 -0.143 0.000 1.154 471 P CA 2.006 64.773 63.100 -0.553 0.000 0.865 471 P CB -0.281 30.746 31.700 -1.122 0.000 0.789 472 A N -0.052 122.785 122.820 0.029 0.000 1.940 472 A HA -0.246 4.088 4.320 0.025 0.000 0.219 472 A C 1.961 179.673 177.584 0.212 0.000 1.176 472 A CA 2.091 54.253 52.037 0.208 0.000 0.631 472 A CB -1.424 17.660 19.000 0.140 0.000 0.814 472 A HN 0.143 nan 8.150 nan 0.000 0.446 473 D N 0.056 120.505 120.400 0.082 0.000 2.263 473 D HA -0.118 4.537 4.640 0.025 0.000 0.208 473 D C 1.809 178.113 176.300 0.006 0.000 0.971 473 D CA 0.807 54.834 54.000 0.045 0.000 0.867 473 D CB -0.297 40.497 40.800 -0.009 0.000 0.929 473 D HN 0.498 nan 8.370 nan 0.000 0.492 474 L N -0.401 120.782 121.223 -0.067 0.000 2.127 474 L HA -0.157 4.198 4.340 0.025 0.000 0.211 474 L C 1.874 178.572 176.870 -0.288 0.000 1.089 474 L CA 0.939 55.637 54.840 -0.238 0.000 0.757 474 L CB -0.342 41.456 42.059 -0.435 0.000 0.899 474 L HN -0.010 nan 8.230 nan 0.000 0.434 475 F N -0.670 119.316 119.950 0.061 0.000 2.789 475 F HA 0.022 4.564 4.527 0.025 0.000 0.300 475 F C 2.098 177.926 175.800 0.046 0.000 1.132 475 F CA 0.329 58.372 58.000 0.071 0.000 1.404 475 F CB -0.201 38.858 39.000 0.099 0.000 1.114 475 F HN -0.116 nan 8.300 nan 0.000 0.584 476 K N 0.368 120.867 120.400 0.164 0.000 2.361 476 K HA 0.142 4.476 4.320 0.025 0.000 0.196 476 K C 0.542 177.164 176.600 0.037 0.000 1.039 476 K CA 0.112 56.455 56.287 0.093 0.000 1.001 476 K CB 0.158 32.697 32.500 0.065 0.000 0.795 476 K HN 0.210 nan 8.250 nan 0.000 0.495 477 L N 2.233 123.466 121.223 0.016 0.000 2.485 477 L HA -0.000 4.354 4.340 0.025 0.000 0.275 477 L C 0.770 177.643 176.870 0.006 0.000 1.207 477 L CA 0.132 54.965 54.840 -0.012 0.000 0.855 477 L CB 0.272 42.322 42.059 -0.016 0.000 1.114 477 L HN 0.185 nan 8.230 nan 0.000 0.485 478 T N -1.060 113.489 114.554 -0.008 0.000 2.930 478 T HA 0.566 4.930 4.350 0.025 0.000 0.290 478 T C 0.809 175.515 174.700 0.009 0.000 1.052 478 T CA -0.268 61.836 62.100 0.006 0.000 1.017 478 T CB 1.858 70.724 68.868 -0.003 0.000 1.137 478 T HN 0.558 nan 8.240 nan 0.000 0.511 479 A N 1.286 124.116 122.820 0.017 0.000 1.908 479 A HA 0.129 4.464 4.320 0.025 0.000 0.218 479 A C 2.387 179.982 177.584 0.019 0.000 1.181 479 A CA 2.209 54.259 52.037 0.021 0.000 0.627 479 A CB -1.748 17.266 19.000 0.023 0.000 0.818 479 A HN 1.217 nan 8.150 nan 0.000 0.445 480 G N -0.585 108.222 108.800 0.011 0.000 2.476 480 G HA2 -0.309 3.665 3.960 0.025 0.000 0.218 480 G HA3 -0.309 3.665 3.960 0.025 0.000 0.218 480 G C 1.683 176.590 174.900 0.012 0.000 1.164 480 G CA 1.325 46.430 45.100 0.009 0.000 0.768 480 G HN 0.570 nan 8.290 nan 0.000 0.560 481 K N -0.382 120.014 120.400 -0.006 0.000 2.217 481 K HA 0.200 4.535 4.320 0.025 0.000 0.202 481 K C 2.480 179.136 176.600 0.094 0.000 1.051 481 K CA 0.319 56.603 56.287 -0.006 0.000 0.952 481 K CB -0.138 32.274 32.500 -0.146 0.000 0.736 481 K HN 0.321 nan 8.250 nan 0.000 0.453 482 L N -0.106 121.159 121.223 0.071 0.000 2.131 482 L HA -0.102 4.252 4.340 0.025 0.000 0.206 482 L C 2.123 179.033 176.870 0.067 0.000 1.087 482 L CA 1.030 55.921 54.840 0.085 0.000 0.767 482 L CB -0.495 41.596 42.059 0.053 0.000 0.917 482 L HN 0.159 nan 8.230 nan 0.000 0.441 483 T N -0.122 114.462 114.554 0.050 0.000 2.778 483 T HA -0.170 4.195 4.350 0.025 0.000 0.269 483 T C 1.458 176.183 174.700 0.042 0.000 1.050 483 T CA 1.423 63.547 62.100 0.039 0.000 1.137 483 T CB -0.453 68.433 68.868 0.031 0.000 0.860 483 T HN 0.531 nan 8.240 nan 0.000 0.468 484 G N 0.629 109.465 108.800 0.060 0.000 3.424 484 G HA2 0.489 4.464 3.960 0.025 0.000 0.263 484 G HA3 0.489 4.464 3.960 0.025 0.000 0.263 484 G C 0.019 174.951 174.900 0.054 0.000 1.310 484 G CA -0.277 44.857 45.100 0.058 0.000 1.089 484 G HN 0.363 nan 8.290 nan 0.000 0.534 485 L N -0.738 120.510 121.223 0.041 0.000 2.322 485 L HA 0.457 4.812 4.340 0.025 0.000 0.269 485 L C 0.174 177.044 176.870 0.000 0.000 1.012 485 L CA -1.181 53.666 54.840 0.011 0.000 0.815 485 L CB 1.864 43.930 42.059 0.012 0.000 1.295 485 L HN -0.026 nan 8.230 nan 0.000 0.438 486 E N 1.280 121.470 120.200 -0.017 0.000 2.452 486 E HA -0.012 4.353 4.350 0.025 0.000 0.261 486 E C 0.000 176.596 176.600 -0.006 0.000 0.987 486 E CA 0.322 56.714 56.400 -0.013 0.000 0.926 486 E CB 0.228 29.914 29.700 -0.023 0.000 0.934 486 E HN 0.298 nan 8.360 nan 0.000 0.452 487 R N 1.209 121.709 120.500 -0.001 0.000 3.741 487 R HA -0.229 4.126 4.340 0.025 0.000 0.292 487 R C -0.667 175.637 176.300 0.007 0.000 1.176 487 R CA 0.695 56.797 56.100 0.002 0.000 0.794 487 R CB -1.426 28.874 30.300 0.000 0.000 1.213 487 R HN 0.467 nan 8.270 nan 0.000 0.494 488 M N -1.424 118.182 119.600 0.009 0.000 2.664 488 M HA 0.685 5.179 4.480 0.025 0.000 0.314 488 M C 0.423 176.733 176.300 0.017 0.000 1.200 488 M CA -0.359 54.950 55.300 0.015 0.000 0.916 488 M CB 2.333 34.944 32.600 0.020 0.000 1.717 488 M HN 0.162 nan 8.290 nan 0.000 0.470 489 G N 1.596 110.408 108.800 0.020 0.000 2.645 489 G HA2 0.545 4.520 3.960 0.025 0.000 0.292 489 G HA3 0.545 4.520 3.960 0.025 0.000 0.292 489 G C -2.936 171.976 174.900 0.021 0.000 1.415 489 G CA -0.971 44.141 45.100 0.019 0.000 0.785 489 G HN 0.447 nan 8.290 nan 0.000 0.483 490 P HA -0.123 nan 4.420 nan 0.000 0.211 490 P C 1.765 179.078 177.300 0.021 0.000 1.181 490 P CA 1.812 64.923 63.100 0.019 0.000 0.929 490 P CB 0.234 31.944 31.700 0.016 0.000 0.789 491 K N -0.685 119.727 120.400 0.020 0.000 2.097 491 K HA -0.120 4.215 4.320 0.025 0.000 0.206 491 K C 2.370 178.984 176.600 0.024 0.000 1.049 491 K CA 1.559 57.859 56.287 0.022 0.000 0.933 491 K CB -0.597 31.915 32.500 0.020 0.000 0.717 491 K HN -0.051 nan 8.250 nan 0.000 0.442 492 S N -0.090 115.624 115.700 0.023 0.000 2.368 492 S HA -0.132 4.353 4.470 0.025 0.000 0.225 492 S C 1.914 176.529 174.600 0.025 0.000 1.030 492 S CA 1.291 59.505 58.200 0.023 0.000 0.999 492 S CB -0.246 62.967 63.200 0.021 0.000 0.844 492 S HN 0.464 nan 8.310 nan 0.000 0.459 493 A N 0.691 123.526 122.820 0.025 0.000 1.930 493 A HA -0.021 4.314 4.320 0.025 0.000 0.217 493 A C 2.212 179.813 177.584 0.028 0.000 1.175 493 A CA 1.195 53.248 52.037 0.027 0.000 0.627 493 A CB -0.625 18.392 19.000 0.028 0.000 0.815 493 A HN 0.505 nan 8.150 nan 0.000 0.443 494 Q N 0.276 120.093 119.800 0.028 0.000 2.119 494 Q HA -0.117 4.238 4.340 0.025 0.000 0.201 494 Q C 1.635 177.656 176.000 0.035 0.000 0.972 494 Q CA 1.256 57.077 55.803 0.032 0.000 0.847 494 Q CB -0.415 28.341 28.738 0.030 0.000 0.903 494 Q HN 0.667 nan 8.270 nan 0.000 0.433 495 N N -0.228 118.492 118.700 0.033 0.000 2.166 495 N HA -0.109 4.646 4.740 0.025 0.000 0.186 495 N C 1.888 177.419 175.510 0.036 0.000 1.019 495 N CA 0.890 53.962 53.050 0.036 0.000 0.856 495 N CB -0.242 38.266 38.487 0.034 0.000 0.993 495 N HN 0.047 nan 8.380 nan 0.000 0.426 496 V N 0.884 120.816 119.914 0.030 0.000 2.307 496 V HA -0.149 3.986 4.120 0.025 0.000 0.245 496 V C 2.456 178.566 176.094 0.027 0.000 1.045 496 V CA 1.093 63.407 62.300 0.023 0.000 1.024 496 V CB -0.521 31.310 31.823 0.014 0.000 0.651 496 V HN 0.043 nan 8.190 nan 0.000 0.449 497 V N 0.852 120.787 119.914 0.034 0.000 2.332 497 V HA -0.308 3.827 4.120 0.025 0.000 0.248 497 V C 2.086 178.221 176.094 0.069 0.000 1.055 497 V CA 2.472 64.802 62.300 0.049 0.000 1.038 497 V CB -1.117 30.734 31.823 0.048 0.000 0.651 497 V HN 0.647 nan 8.190 nan 0.000 0.450 498 N N 0.471 119.208 118.700 0.062 0.000 2.142 498 N HA -0.137 4.617 4.740 0.025 0.000 0.186 498 N C 1.979 177.537 175.510 0.080 0.000 1.023 498 N CA 1.201 54.293 53.050 0.070 0.000 0.852 498 N CB -0.268 38.254 38.487 0.059 0.000 0.998 498 N HN 0.499 nan 8.380 nan 0.000 0.424 499 A N 1.543 124.404 122.820 0.068 0.000 1.933 499 A HA -0.073 4.262 4.320 0.025 0.000 0.218 499 A C 2.210 179.853 177.584 0.099 0.000 1.175 499 A CA 0.968 53.048 52.037 0.071 0.000 0.628 499 A CB -0.665 18.364 19.000 0.049 0.000 0.814 499 A HN 0.145 nan 8.150 nan 0.000 0.444 500 L N -0.880 120.398 121.223 0.091 0.000 2.017 500 L HA -0.201 4.154 4.340 0.025 0.000 0.208 500 L C 2.683 179.745 176.870 0.319 0.000 1.073 500 L CA 1.767 56.688 54.840 0.135 0.000 0.745 500 L CB -0.445 41.618 42.059 0.007 0.000 0.894 500 L HN 0.479 nan 8.230 nan 0.000 0.432 501 E N 0.942 121.283 120.200 0.234 0.000 2.058 501 E HA -0.290 4.075 4.350 0.025 0.000 0.194 501 E C 2.123 178.837 176.600 0.190 0.000 0.997 501 E CA 1.699 58.230 56.400 0.219 0.000 0.801 501 E CB -0.162 29.626 29.700 0.147 0.000 0.746 501 E HN 0.229 nan 8.360 nan 0.000 0.450 502 K N -0.355 120.135 120.400 0.150 0.000 2.147 502 K HA -0.098 4.237 4.320 0.025 0.000 0.205 502 K C 1.864 178.544 176.600 0.132 0.000 1.049 502 K CA 1.221 57.581 56.287 0.122 0.000 0.936 502 K CB -0.266 32.291 32.500 0.094 0.000 0.722 502 K HN 0.192 nan 8.250 nan 0.000 0.446 503 A N 1.305 124.235 122.820 0.184 0.000 2.121 503 A HA -0.093 4.242 4.320 0.025 0.000 0.218 503 A C 1.717 179.427 177.584 0.209 0.000 1.154 503 A CA 1.007 53.166 52.037 0.203 0.000 0.679 503 A CB -0.233 18.925 19.000 0.264 0.000 0.795 503 A HN 0.318 nan 8.150 nan 0.000 0.458 504 K N 0.117 120.636 120.400 0.197 0.000 2.113 504 K HA -0.171 4.163 4.320 0.025 0.000 0.208 504 K C 0.888 177.438 176.600 -0.084 0.000 1.047 504 K CA 1.290 57.619 56.287 0.070 0.000 0.928 504 K CB -0.064 32.492 32.500 0.092 0.000 0.716 504 K HN 0.665 nan 8.250 nan 0.000 0.446 505 E N 1.392 121.529 120.200 -0.106 0.000 2.070 505 E HA 0.016 4.381 4.350 0.025 0.000 0.282 505 E C -0.788 175.757 176.600 -0.093 0.000 1.104 505 E CA -0.084 56.140 56.400 -0.293 0.000 0.876 505 E CB 0.607 30.245 29.700 -0.103 0.000 1.055 505 E HN 0.047 nan 8.360 nan 0.000 0.401 506 T N 1.807 116.330 114.554 -0.052 0.000 2.551 506 T HA 0.514 4.879 4.350 0.025 0.000 0.249 506 T C -0.189 174.594 174.700 0.138 0.000 0.851 506 T CA -0.479 61.667 62.100 0.076 0.000 1.149 506 T CB 1.129 70.087 68.868 0.151 0.000 1.456 506 T HN 0.551 nan 8.240 nan 0.000 0.514 507 T N -1.371 113.258 114.554 0.125 0.000 2.883 507 T HA 0.558 4.923 4.350 0.025 0.000 0.296 507 T C 0.265 174.880 174.700 -0.142 0.000 1.117 507 T CA -0.738 61.413 62.100 0.085 0.000 1.006 507 T CB 1.270 70.165 68.868 0.046 0.000 1.191 507 T HN 0.246 nan 8.240 nan 0.000 0.508 508 F N 1.892 121.463 119.950 -0.633 0.000 2.102 508 F HA 0.114 4.656 4.527 0.025 0.000 0.298 508 F C 2.566 178.128 175.800 -0.397 0.000 1.105 508 F CA 1.622 58.999 58.000 -1.038 0.000 1.239 508 F CB -1.196 37.371 39.000 -0.722 0.000 0.991 508 F HN 0.823 nan 8.300 nan 0.000 0.474 509 A N 0.683 123.374 122.820 -0.216 0.000 1.908 509 A HA -0.223 4.111 4.320 0.025 0.000 0.218 509 A C 2.401 179.912 177.584 -0.121 0.000 1.181 509 A CA 1.950 53.862 52.037 -0.208 0.000 0.627 509 A CB -0.711 18.223 19.000 -0.110 0.000 0.818 509 A HN 0.471 nan 8.150 nan 0.000 0.445 510 R N -2.195 118.270 120.500 -0.058 0.000 2.073 510 R HA -0.034 4.321 4.340 0.025 0.000 0.229 510 R C 2.025 178.328 176.300 0.005 0.000 1.120 510 R CA 1.367 57.471 56.100 0.006 0.000 0.967 510 R CB -0.495 29.810 30.300 0.009 0.000 0.862 510 R HN 0.555 nan 8.270 nan 0.000 0.436 511 F N 1.487 121.335 119.950 -0.169 0.000 2.102 511 F HA -0.202 4.340 4.527 0.025 0.000 0.298 511 F C 1.959 177.704 175.800 -0.093 0.000 1.105 511 F CA 1.250 59.172 58.000 -0.131 0.000 1.239 511 F CB -0.322 38.541 39.000 -0.228 0.000 0.991 511 F HN -0.110 nan 8.300 nan 0.000 0.474 512 L N -0.437 120.719 121.223 -0.112 0.000 2.012 512 L HA -0.257 4.098 4.340 0.025 0.000 0.210 512 L C 2.268 179.051 176.870 -0.146 0.000 1.073 512 L CA 1.982 56.722 54.840 -0.166 0.000 0.748 512 L CB -1.484 40.404 42.059 -0.285 0.000 0.891 512 L HN 0.386 nan 8.230 nan 0.000 0.431 513 Y N -0.054 120.115 120.300 -0.218 0.000 2.181 513 Y HA -0.200 4.365 4.550 0.025 0.000 0.288 513 Y C 2.333 178.119 175.900 -0.190 0.000 1.146 513 Y CA 1.440 59.438 58.100 -0.169 0.000 1.164 513 Y CB -0.650 37.719 38.460 -0.151 0.000 0.982 513 Y HN 0.182 nan 8.280 nan 0.000 0.515 514 A N 0.355 122.945 122.820 -0.384 0.000 2.024 514 A HA -0.151 4.184 4.320 0.025 0.000 0.220 514 A C 2.276 179.723 177.584 -0.228 0.000 1.164 514 A CA 1.662 53.384 52.037 -0.525 0.000 0.643 514 A CB -1.162 17.421 19.000 -0.695 0.000 0.806 514 A HN 0.574 nan 8.150 nan 0.000 0.451 515 L N -1.094 119.976 121.223 -0.256 0.000 2.265 515 L HA -0.016 4.339 4.340 0.025 0.000 0.215 515 L C 1.674 178.432 176.870 -0.187 0.000 1.117 515 L CA 0.671 55.410 54.840 -0.169 0.000 0.782 515 L CB -0.716 41.181 42.059 -0.270 0.000 0.914 515 L HN 0.614 nan 8.230 nan 0.000 0.441 516 G N 1.276 109.945 108.800 -0.219 0.000 2.298 516 G HA2 -0.279 3.696 3.960 0.025 0.000 0.287 516 G HA3 -0.279 3.696 3.960 0.025 0.000 0.287 516 G C 0.031 174.720 174.900 -0.353 0.000 1.075 516 G CA -0.199 44.782 45.100 -0.198 0.000 0.960 516 G HN 0.290 nan 8.290 nan 0.000 0.502 517 I N -0.187 120.081 120.570 -0.503 0.000 2.496 517 I HA 0.210 4.395 4.170 0.025 0.000 0.285 517 I C 1.308 177.215 176.117 -0.349 0.000 1.080 517 I CA -0.933 59.989 61.300 -0.630 0.000 1.404 517 I CB 0.640 38.196 38.000 -0.740 0.000 1.403 517 I HN 0.161 nan 8.210 nan 0.000 0.539 518 R N 5.783 126.088 120.500 -0.324 0.000 2.494 518 R HA -0.100 4.255 4.340 0.025 0.000 0.291 518 R C 0.617 176.690 176.300 -0.378 0.000 0.953 518 R CA 0.812 56.670 56.100 -0.405 0.000 1.098 518 R CB -0.206 29.687 30.300 -0.677 0.000 0.911 518 R HN 0.605 nan 8.270 nan 0.000 0.407 519 E N 0.893 120.930 120.200 -0.272 0.000 3.799 519 E HA -0.200 4.165 4.350 0.025 0.000 0.320 519 E C -0.813 175.743 176.600 -0.073 0.000 0.760 519 E CA 1.314 57.626 56.400 -0.147 0.000 1.153 519 E CB -1.386 28.244 29.700 -0.117 0.000 1.589 519 E HN 0.363 nan 8.360 nan 0.000 0.448 520 V N 0.973 120.835 119.914 -0.087 0.000 2.270 520 V HA 0.491 4.625 4.120 0.025 0.000 0.263 520 V C 1.142 177.268 176.094 0.054 0.000 1.066 520 V CA 0.359 62.641 62.300 -0.031 0.000 0.857 520 V CB 1.063 32.843 31.823 -0.072 0.000 1.099 520 V HN 0.238 nan 8.190 nan 0.000 0.476 521 G N 2.187 111.040 108.800 0.088 0.000 2.531 521 G HA2 0.270 4.245 3.960 0.025 0.000 0.281 521 G HA3 0.270 4.245 3.960 0.025 0.000 0.281 521 G C 0.692 175.646 174.900 0.091 0.000 1.382 521 G CA -0.166 45.061 45.100 0.213 0.000 1.045 521 G HN 0.564 nan 8.290 nan 0.000 0.533 522 E N -0.921 119.117 120.200 -0.271 0.000 2.085 522 E HA -0.166 4.199 4.350 0.025 0.000 0.194 522 E C 2.604 179.059 176.600 -0.243 0.000 0.994 522 E CA 1.339 57.392 56.400 -0.578 0.000 0.801 522 E CB -0.186 29.058 29.700 -0.760 0.000 0.743 522 E HN 0.414 nan 8.360 nan 0.000 0.453 523 A N 0.056 122.791 122.820 -0.143 0.000 1.872 523 A HA -0.120 4.215 4.320 0.025 0.000 0.214 523 A C 2.355 179.910 177.584 -0.049 0.000 1.187 523 A CA 1.842 53.829 52.037 -0.082 0.000 0.614 523 A CB -0.742 18.227 19.000 -0.053 0.000 0.826 523 A HN 0.292 nan 8.150 nan 0.000 0.442 524 T N 0.280 114.816 114.554 -0.030 0.000 2.867 524 T HA 0.073 4.438 4.350 0.025 0.000 0.268 524 T C 2.185 176.879 174.700 -0.010 0.000 1.057 524 T CA 1.245 63.341 62.100 -0.007 0.000 1.136 524 T CB -0.355 68.517 68.868 0.007 0.000 0.874 524 T HN 0.562 nan 8.240 nan 0.000 0.466 525 A N 1.641 124.445 122.820 -0.028 0.000 1.877 525 A HA 0.125 4.460 4.320 0.025 0.000 0.216 525 A C 2.650 180.176 177.584 -0.097 0.000 1.186 525 A CA 1.829 53.831 52.037 -0.059 0.000 0.620 525 A CB -1.126 17.859 19.000 -0.025 0.000 0.822 525 A HN 0.502 nan 8.150 nan 0.000 0.443 526 A N -0.589 122.181 122.820 -0.083 0.000 1.933 526 A HA 0.146 4.481 4.320 0.025 0.000 0.218 526 A C 2.396 179.975 177.584 -0.007 0.000 1.175 526 A CA 1.890 53.890 52.037 -0.061 0.000 0.628 526 A CB -1.330 17.634 19.000 -0.059 0.000 0.814 526 A HN 0.720 nan 8.150 nan 0.000 0.444 527 G N -0.174 108.631 108.800 0.008 0.000 2.418 527 G HA2 -0.144 3.831 3.960 0.025 0.000 0.217 527 G HA3 -0.144 3.831 3.960 0.025 0.000 0.217 527 G C 1.555 176.521 174.900 0.110 0.000 1.158 527 G CA 1.023 46.151 45.100 0.048 0.000 0.771 527 G HN 0.427 nan 8.290 nan 0.000 0.545 528 L N 0.616 121.908 121.223 0.116 0.000 2.056 528 L HA -0.012 4.343 4.340 0.025 0.000 0.207 528 L C 3.408 180.469 176.870 0.319 0.000 1.078 528 L CA 0.938 55.941 54.840 0.273 0.000 0.749 528 L CB -0.380 41.796 42.059 0.195 0.000 0.901 528 L HN 0.303 nan 8.230 nan 0.000 0.433 529 A N 0.126 122.971 122.820 0.041 0.000 1.877 529 A HA -0.176 4.159 4.320 0.025 0.000 0.216 529 A C 2.505 180.266 177.584 0.295 0.000 1.186 529 A CA 1.786 53.827 52.037 0.007 0.000 0.620 529 A CB -0.780 18.073 19.000 -0.244 0.000 0.822 529 A HN 0.387 nan 8.150 nan 0.000 0.443 530 A N -2.088 120.842 122.820 0.183 0.000 2.015 530 A HA -0.052 4.283 4.320 0.025 0.000 0.219 530 A C 2.102 179.772 177.584 0.144 0.000 1.163 530 A CA 1.597 53.728 52.037 0.156 0.000 0.646 530 A CB -0.651 18.411 19.000 0.103 0.000 0.806 530 A HN 0.698 nan 8.150 nan 0.000 0.448 531 Y N -1.047 119.272 120.300 0.031 0.000 2.206 531 Y HA -0.060 4.505 4.550 0.025 0.000 0.292 531 Y C 1.698 177.471 175.900 -0.212 0.000 1.123 531 Y CA 1.878 59.885 58.100 -0.155 0.000 1.142 531 Y CB -0.167 38.092 38.460 -0.335 0.000 1.006 531 Y HN 0.274 nan 8.280 nan 0.000 0.518 532 F N -0.916 119.181 119.950 0.246 0.000 2.619 532 F HA 0.220 4.762 4.527 0.025 0.000 0.293 532 F C 2.253 178.145 175.800 0.152 0.000 1.119 532 F CA 0.829 58.936 58.000 0.178 0.000 1.445 532 F CB -0.303 38.873 39.000 0.294 0.000 1.119 532 F HN 0.194 nan 8.300 nan 0.000 0.573 533 G N 0.263 109.298 108.800 0.392 0.000 2.562 533 G HA2 -0.348 3.627 3.960 0.025 0.000 0.241 533 G HA3 -0.348 3.627 3.960 0.025 0.000 0.241 533 G C 0.567 175.505 174.900 0.063 0.000 1.120 533 G CA 0.929 46.175 45.100 0.243 0.000 0.673 533 G HN 0.567 nan 8.290 nan 0.000 0.519 534 T N -2.575 112.002 114.554 0.038 0.000 2.906 534 T HA 0.641 5.006 4.350 0.025 0.000 0.295 534 T C 0.938 175.532 174.700 -0.176 0.000 1.061 534 T CA 0.108 62.077 62.100 -0.219 0.000 1.000 534 T CB 2.101 70.931 68.868 -0.062 0.000 1.103 534 T HN 0.979 nan 8.240 nan 0.000 0.486 535 L N 0.819 121.883 121.223 -0.265 0.000 2.265 535 L HA 0.050 4.405 4.340 0.025 0.000 0.215 535 L C 2.220 179.105 176.870 0.025 0.000 1.117 535 L CA 1.741 56.655 54.840 0.124 0.000 0.782 535 L CB -0.835 41.427 42.059 0.338 0.000 0.914 535 L HN 0.740 nan 8.230 nan 0.000 0.441 536 E N 0.033 120.227 120.200 -0.010 0.000 2.016 536 E HA -0.094 4.271 4.350 0.025 0.000 0.190 536 E C 2.235 178.815 176.600 -0.033 0.000 0.985 536 E CA 1.306 57.690 56.400 -0.026 0.000 0.802 536 E CB -0.610 29.082 29.700 -0.014 0.000 0.762 536 E HN 0.557 nan 8.360 nan 0.000 0.448 537 A N 1.531 124.370 122.820 0.033 0.000 1.978 537 A HA -0.190 4.145 4.320 0.025 0.000 0.220 537 A C 2.224 179.766 177.584 -0.070 0.000 1.170 537 A CA 1.394 53.490 52.037 0.098 0.000 0.636 537 A CB -0.603 18.552 19.000 0.258 0.000 0.810 537 A HN 0.230 nan 8.150 nan 0.000 0.448 538 L N 1.057 122.141 121.223 -0.231 0.000 1.961 538 L HA -0.178 4.177 4.340 0.025 0.000 0.210 538 L C 2.373 178.869 176.870 -0.623 0.000 1.072 538 L CA 2.792 57.204 54.840 -0.714 0.000 0.749 538 L CB -0.934 40.925 42.059 -0.333 0.000 0.889 538 L HN 0.667 nan 8.230 nan 0.000 0.432 539 E N -0.718 119.091 120.200 -0.652 0.000 2.515 539 E HA -0.070 4.295 4.350 0.025 0.000 0.201 539 E C 1.387 177.861 176.600 -0.209 0.000 1.071 539 E CA 0.753 56.756 56.400 -0.661 0.000 0.880 539 E CB -0.283 28.966 29.700 -0.752 0.000 0.828 539 E HN 0.545 nan 8.360 nan 0.000 0.540 540 A N 0.942 123.676 122.820 -0.143 0.000 2.348 540 A HA 0.518 4.853 4.320 0.025 0.000 0.224 540 A C 1.171 178.785 177.584 0.050 0.000 1.227 540 A CA 0.162 52.190 52.037 -0.015 0.000 0.885 540 A CB 0.255 19.258 19.000 0.005 0.000 0.933 540 A HN 0.310 nan 8.150 nan 0.000 0.506 541 A N 0.879 123.704 122.820 0.008 0.000 2.371 541 A HA 0.550 4.885 4.320 0.025 0.000 0.257 541 A C 0.813 178.507 177.584 0.183 0.000 1.089 541 A CA 0.348 52.453 52.037 0.112 0.000 0.794 541 A CB 0.052 19.078 19.000 0.043 0.000 1.029 541 A HN 0.925 nan 8.150 nan 0.000 0.488 542 S N 1.292 117.074 115.700 0.138 0.000 2.672 542 S HA 0.484 4.969 4.470 0.025 0.000 0.276 542 S C 1.041 175.595 174.600 -0.077 0.000 1.207 542 S CA -0.532 57.667 58.200 -0.003 0.000 1.002 542 S CB 0.578 63.779 63.200 0.000 0.000 0.998 542 S HN 0.513 nan 8.310 nan 0.000 0.542 543 I N 1.024 121.406 120.570 -0.314 0.000 2.208 543 I HA -0.210 3.975 4.170 0.025 0.000 0.245 543 I C 2.601 178.688 176.117 -0.050 0.000 1.097 543 I CA 1.644 62.839 61.300 -0.176 0.000 1.363 543 I CB -0.497 37.369 38.000 -0.223 0.000 1.051 543 I HN 0.782 nan 8.210 nan 0.000 0.413 544 E N 0.524 120.697 120.200 -0.045 0.000 2.110 544 E HA -0.229 4.136 4.350 0.025 0.000 0.193 544 E C 1.981 178.602 176.600 0.034 0.000 0.988 544 E CA 1.114 57.512 56.400 -0.003 0.000 0.804 544 E CB -0.101 29.599 29.700 -0.001 0.000 0.745 544 E HN 0.564 nan 8.360 nan 0.000 0.458 545 E N 0.236 120.479 120.200 0.072 0.000 2.230 545 E HA -0.097 4.268 4.350 0.025 0.000 0.192 545 E C 1.865 178.567 176.600 0.171 0.000 0.987 545 E CA 0.084 56.566 56.400 0.137 0.000 0.841 545 E CB 0.170 29.993 29.700 0.205 0.000 0.783 545 E HN 0.056 nan 8.360 nan 0.000 0.481 546 L N 1.133 122.461 121.223 0.175 0.000 2.093 546 L HA -0.163 4.192 4.340 0.025 0.000 0.208 546 L C 1.902 178.807 176.870 0.059 0.000 1.085 546 L CA 1.702 56.666 54.840 0.207 0.000 0.755 546 L CB -0.335 41.826 42.059 0.170 0.000 0.904 546 L HN 0.076 nan 8.230 nan 0.000 0.435 547 Q N -1.119 118.696 119.800 0.025 0.000 2.515 547 Q HA -0.152 4.203 4.340 0.025 0.000 0.212 547 Q C 1.697 177.663 176.000 -0.056 0.000 0.970 547 Q CA 0.531 56.326 55.803 -0.013 0.000 0.941 547 Q CB 0.090 28.826 28.738 -0.003 0.000 0.998 547 Q HN 0.470 nan 8.270 nan 0.000 0.518 548 K N -0.311 120.033 120.400 -0.094 0.000 2.305 548 K HA 0.048 4.383 4.320 0.025 0.000 0.199 548 K C 0.319 176.721 176.600 -0.329 0.000 1.047 548 K CA 0.103 56.306 56.287 -0.139 0.000 0.976 548 K CB 0.510 32.972 32.500 -0.063 0.000 0.765 548 K HN -0.031 nan 8.250 nan 0.000 0.474 549 V N 4.689 124.296 119.914 -0.512 0.000 2.655 549 V HA 0.014 4.149 4.120 0.025 0.000 0.300 549 V C -2.010 173.932 176.094 -0.253 0.000 1.044 549 V CA -1.463 60.456 62.300 -0.635 0.000 1.095 549 V CB 0.312 31.842 31.823 -0.489 0.000 0.952 549 V HN 0.170 nan 8.190 nan 0.000 0.485 550 P HA 0.086 nan 4.420 nan 0.000 0.268 550 P C -0.181 177.091 177.300 -0.047 0.000 1.204 550 P CA 0.217 63.275 63.100 -0.070 0.000 0.768 550 P CB 0.451 32.134 31.700 -0.028 0.000 0.842 551 D N -0.897 119.486 120.400 -0.029 0.000 3.041 551 D HA -0.112 4.543 4.640 0.025 0.000 0.220 551 D C -0.442 175.851 176.300 -0.011 0.000 1.157 551 D CA 0.735 54.727 54.000 -0.015 0.000 0.876 551 D CB -1.630 39.166 40.800 -0.008 0.000 1.107 551 D HN 0.173 nan 8.370 nan 0.000 0.422 552 V N 0.271 120.173 119.914 -0.020 0.000 2.407 552 V HA 0.714 4.848 4.120 0.025 0.000 0.291 552 V C 1.033 177.126 176.094 -0.001 0.000 1.018 552 V CA 0.020 62.319 62.300 -0.003 0.000 0.842 552 V CB 1.877 33.698 31.823 -0.003 0.000 0.996 552 V HN 0.197 nan 8.190 nan 0.000 0.426 553 G N 2.886 111.694 108.800 0.014 0.000 2.971 553 G HA2 0.539 4.514 3.960 0.025 0.000 0.235 553 G HA3 0.539 4.514 3.960 0.025 0.000 0.235 553 G C 0.754 175.665 174.900 0.020 0.000 1.351 553 G CA -0.381 44.726 45.100 0.011 0.000 1.039 553 G HN 0.634 nan 8.290 nan 0.000 0.563 554 I N -0.735 119.842 120.570 0.012 0.000 2.286 554 I HA -0.083 4.102 4.170 0.025 0.000 0.248 554 I C 2.510 178.632 176.117 0.008 0.000 1.115 554 I CA 0.839 62.142 61.300 0.005 0.000 1.392 554 I CB -1.302 36.694 38.000 -0.006 0.000 1.065 554 I HN 0.145 nan 8.210 nan 0.000 0.418 555 V N 0.790 120.720 119.914 0.027 0.000 2.261 555 V HA -0.232 3.903 4.120 0.025 0.000 0.246 555 V C 2.671 178.848 176.094 0.139 0.000 1.047 555 V CA 2.047 64.381 62.300 0.056 0.000 1.015 555 V CB -0.780 31.104 31.823 0.102 0.000 0.642 555 V HN 0.401 nan 8.190 nan 0.000 0.446 556 V N 0.206 120.202 119.914 0.136 0.000 2.307 556 V HA -0.221 3.914 4.120 0.025 0.000 0.245 556 V C 2.744 178.922 176.094 0.141 0.000 1.045 556 V CA 1.877 64.270 62.300 0.156 0.000 1.024 556 V CB -1.199 30.679 31.823 0.092 0.000 0.651 556 V HN 0.547 nan 8.190 nan 0.000 0.449 557 A N 0.090 122.968 122.820 0.096 0.000 1.873 557 A HA -0.270 4.065 4.320 0.025 0.000 0.218 557 A C 2.491 180.146 177.584 0.118 0.000 1.193 557 A CA 2.668 54.765 52.037 0.099 0.000 0.629 557 A CB -0.914 18.117 19.000 0.052 0.000 0.826 557 A HN 0.533 nan 8.150 nan 0.000 0.447 558 S N -0.961 114.770 115.700 0.053 0.000 2.356 558 S HA -0.169 4.316 4.470 0.025 0.000 0.223 558 S C 1.917 176.546 174.600 0.049 0.000 1.032 558 S CA 1.227 59.443 58.200 0.026 0.000 1.005 558 S CB -0.632 62.510 63.200 -0.098 0.000 0.867 558 S HN 0.692 nan 8.310 nan 0.000 0.449 559 H N 0.667 119.791 119.070 0.091 0.000 2.352 559 H HA -0.014 4.557 4.556 0.025 0.000 0.299 559 H C 2.343 177.728 175.328 0.096 0.000 1.097 559 H CA 1.441 57.532 56.048 0.071 0.000 1.311 559 H CB -0.628 29.146 29.762 0.021 0.000 1.377 559 H HN 0.214 nan 8.280 nan 0.000 0.504 560 V N 0.445 120.504 119.914 0.241 0.000 2.295 560 V HA -0.260 3.875 4.120 0.025 0.000 0.246 560 V C 2.385 178.686 176.094 0.346 0.000 1.049 560 V CA 2.155 64.602 62.300 0.245 0.000 1.024 560 V CB -0.663 31.319 31.823 0.265 0.000 0.648 560 V HN 0.420 nan 8.190 nan 0.000 0.447 561 H N 1.032 120.231 119.070 0.215 0.000 2.319 561 H HA -0.153 4.417 4.556 0.025 0.000 0.299 561 H C 2.148 177.581 175.328 0.175 0.000 1.092 561 H CA 2.377 58.547 56.048 0.203 0.000 1.302 561 H CB -0.195 29.639 29.762 0.121 0.000 1.373 561 H HN 0.410 nan 8.280 nan 0.000 0.497 562 N N -0.694 118.097 118.700 0.151 0.000 2.381 562 N HA -0.103 4.652 4.740 0.025 0.000 0.182 562 N C 1.382 176.916 175.510 0.039 0.000 1.025 562 N CA 0.823 53.909 53.050 0.060 0.000 0.888 562 N CB -0.334 38.203 38.487 0.084 0.000 0.965 562 N HN 0.312 nan 8.380 nan 0.000 0.438 563 F N 0.114 120.003 119.950 -0.102 0.000 2.084 563 F HA 0.012 4.554 4.527 0.025 0.000 0.296 563 F C 1.473 177.089 175.800 -0.305 0.000 1.111 563 F CA 1.276 59.123 58.000 -0.255 0.000 1.224 563 F CB -0.388 38.341 39.000 -0.452 0.000 0.991 563 F HN -0.054 nan 8.300 nan 0.000 0.471 564 F N 0.107 120.041 119.950 -0.026 0.000 2.407 564 F HA 0.061 4.603 4.527 0.025 0.000 0.299 564 F C 2.424 178.117 175.800 -0.178 0.000 1.097 564 F CA 0.619 58.541 58.000 -0.131 0.000 1.422 564 F CB -0.902 38.102 39.000 0.006 0.000 1.067 564 F HN 0.055 nan 8.300 nan 0.000 0.539 565 A N -0.345 122.434 122.820 -0.069 0.000 2.121 565 A HA -0.095 4.240 4.320 0.025 0.000 0.218 565 A C 0.839 178.367 177.584 -0.094 0.000 1.154 565 A CA 0.628 52.597 52.037 -0.114 0.000 0.679 565 A CB -0.603 18.294 19.000 -0.173 0.000 0.795 565 A HN 0.307 nan 8.150 nan 0.000 0.458 566 E N -0.105 120.008 120.200 -0.146 0.000 2.229 566 E HA 0.206 4.571 4.350 0.025 0.000 0.283 566 E C 0.163 176.683 176.600 -0.134 0.000 1.030 566 E CA -0.283 56.030 56.400 -0.144 0.000 0.836 566 E CB 0.796 30.381 29.700 -0.191 0.000 1.068 566 E HN 0.490 nan 8.360 nan 0.000 0.401 567 E N 1.490 121.643 120.200 -0.079 0.000 2.085 567 E HA -0.197 4.167 4.350 0.025 0.000 0.194 567 E C 1.664 178.224 176.600 -0.065 0.000 0.994 567 E CA 1.327 57.696 56.400 -0.052 0.000 0.801 567 E CB 0.051 29.732 29.700 -0.031 0.000 0.743 567 E HN 0.355 nan 8.360 nan 0.000 0.453 568 S N 1.687 117.339 115.700 -0.081 0.000 2.389 568 S HA -0.249 4.236 4.470 0.025 0.000 0.229 568 S C 1.692 176.230 174.600 -0.103 0.000 1.048 568 S CA 1.637 59.790 58.200 -0.078 0.000 1.117 568 S CB -0.565 62.585 63.200 -0.082 0.000 1.020 568 S HN 0.302 nan 8.310 nan 0.000 0.430 569 N N 1.183 119.750 118.700 -0.223 0.000 2.166 569 N HA -0.052 4.703 4.740 0.025 0.000 0.186 569 N C 1.766 177.201 175.510 -0.125 0.000 1.019 569 N CA 0.875 53.734 53.050 -0.319 0.000 0.856 569 N CB -0.352 37.541 38.487 -0.990 0.000 0.993 569 N HN 0.418 nan 8.380 nan 0.000 0.426 570 R N 0.693 121.147 120.500 -0.077 0.000 2.091 570 R HA -0.050 4.305 4.340 0.025 0.000 0.238 570 R C 1.432 177.774 176.300 0.070 0.000 1.136 570 R CA 1.411 57.538 56.100 0.044 0.000 0.959 570 R CB -0.178 30.141 30.300 0.032 0.000 0.856 570 R HN 0.276 nan 8.270 nan 0.000 0.437 571 N N -0.600 118.121 118.700 0.036 0.000 2.354 571 N HA -0.053 4.702 4.740 0.025 0.000 0.179 571 N C 1.503 177.059 175.510 0.076 0.000 1.021 571 N CA 0.455 53.535 53.050 0.051 0.000 0.887 571 N CB 0.207 38.711 38.487 0.027 0.000 0.974 571 N HN -0.052 nan 8.380 nan 0.000 0.437 572 V N 0.890 120.848 119.914 0.074 0.000 2.307 572 V HA -0.161 3.974 4.120 0.025 0.000 0.245 572 V C 2.001 178.212 176.094 0.194 0.000 1.045 572 V CA 1.302 63.663 62.300 0.102 0.000 1.024 572 V CB -0.371 31.497 31.823 0.074 0.000 0.651 572 V HN 0.291 nan 8.190 nan 0.000 0.449 573 I N 0.886 121.609 120.570 0.254 0.000 2.202 573 I HA -0.218 3.967 4.170 0.025 0.000 0.242 573 I C 2.735 179.039 176.117 0.312 0.000 1.091 573 I CA 1.801 63.359 61.300 0.429 0.000 1.368 573 I CB -0.526 37.776 38.000 0.504 0.000 1.058 573 I HN 0.483 nan 8.210 nan 0.000 0.410 574 S N 0.120 115.938 115.700 0.196 0.000 2.383 574 S HA -0.265 4.220 4.470 0.025 0.000 0.229 574 S C 1.883 176.540 174.600 0.094 0.000 1.030 574 S CA 1.496 59.766 58.200 0.118 0.000 1.002 574 S CB -0.507 62.741 63.200 0.080 0.000 0.829 574 S HN 0.481 nan 8.310 nan 0.000 0.467 575 E N 0.939 121.204 120.200 0.108 0.000 2.106 575 E HA 0.010 4.375 4.350 0.025 0.000 0.192 575 E C 2.027 178.686 176.600 0.097 0.000 0.984 575 E CA 0.932 57.385 56.400 0.089 0.000 0.806 575 E CB -0.228 29.526 29.700 0.090 0.000 0.750 575 E HN 0.559 nan 8.360 nan 0.000 0.458 576 L N 0.446 121.767 121.223 0.162 0.000 2.046 576 L HA -0.215 4.140 4.340 0.025 0.000 0.208 576 L C 2.406 179.310 176.870 0.056 0.000 1.077 576 L CA 0.886 55.829 54.840 0.173 0.000 0.747 576 L CB -0.308 42.010 42.059 0.433 0.000 0.896 576 L HN 0.231 nan 8.230 nan 0.000 0.432 577 L N -0.655 120.603 121.223 0.059 0.000 2.056 577 L HA -0.174 4.181 4.340 0.025 0.000 0.207 577 L C 2.863 179.696 176.870 -0.062 0.000 1.078 577 L CA 1.090 55.896 54.840 -0.056 0.000 0.749 577 L CB -0.731 41.282 42.059 -0.077 0.000 0.901 577 L HN 0.230 nan 8.230 nan 0.000 0.433 578 A N -0.227 122.580 122.820 -0.022 0.000 1.933 578 A HA -0.235 4.100 4.320 0.025 0.000 0.218 578 A C 2.144 179.709 177.584 -0.031 0.000 1.175 578 A CA 1.694 53.717 52.037 -0.024 0.000 0.628 578 A CB -0.426 18.576 19.000 0.003 0.000 0.814 578 A HN 0.317 nan 8.150 nan 0.000 0.444 579 E N -1.581 118.599 120.200 -0.034 0.000 2.265 579 E HA 0.094 4.458 4.350 0.025 0.000 0.196 579 E C 1.341 177.875 176.600 -0.109 0.000 0.996 579 E CA 1.285 57.651 56.400 -0.057 0.000 0.832 579 E CB -0.116 29.526 29.700 -0.097 0.000 0.756 579 E HN 0.754 nan 8.360 nan 0.000 0.491 580 G N -1.424 107.307 108.800 -0.115 0.000 2.421 580 G HA2 -0.210 3.765 3.960 0.025 0.000 0.188 580 G HA3 -0.210 3.765 3.960 0.025 0.000 0.188 580 G C 0.030 174.922 174.900 -0.013 0.000 1.001 580 G CA -0.085 44.968 45.100 -0.077 0.000 0.693 580 G HN 0.133 nan 8.290 nan 0.000 0.479 581 V N 4.994 124.836 119.914 -0.119 0.000 2.644 581 V HA 0.460 4.594 4.120 0.025 0.000 0.305 581 V C 0.714 176.780 176.094 -0.047 0.000 1.053 581 V CA 0.986 63.251 62.300 -0.058 0.000 1.186 581 V CB 0.113 31.936 31.823 -0.001 0.000 0.895 581 V HN 0.799 nan 8.190 nan 0.000 0.490 582 H N 2.911 121.897 119.070 -0.140 0.000 2.981 582 H HA 0.606 5.177 4.556 0.025 0.000 0.327 582 H C -1.478 173.835 175.328 -0.025 0.000 1.342 582 H CA -1.290 54.555 56.048 -0.339 0.000 1.123 582 H CB 1.366 30.942 29.762 -0.311 0.000 1.851 582 H HN 0.684 nan 8.280 nan 0.000 0.531 583 W N -0.756 120.504 121.300 -0.067 0.000 3.074 583 W HA 0.653 5.328 4.660 0.025 0.000 0.332 583 W C -3.124 173.402 176.519 0.012 0.000 1.253 583 W CA -2.124 55.180 57.345 -0.069 0.000 1.180 583 W CB -0.512 28.932 29.460 -0.027 0.000 1.445 583 W HN 0.418 nan 8.180 nan 0.000 0.573 584 P HA 0.321 nan 4.420 nan 0.000 0.266 584 P C -0.151 177.272 177.300 0.206 0.000 1.215 584 P CA 0.357 63.569 63.100 0.187 0.000 0.763 584 P CB 0.482 32.278 31.700 0.158 0.000 0.806 585 A N 5.540 128.410 122.820 0.083 0.000 2.425 585 A HA 0.452 4.786 4.320 0.025 0.000 0.249 585 A C -1.096 176.529 177.584 0.069 0.000 1.084 585 A CA -0.820 51.250 52.037 0.054 0.000 0.781 585 A CB -0.842 18.144 19.000 -0.023 0.000 1.019 585 A HN 0.503 nan 8.150 nan 0.000 0.490 586 P HA 0.000 nan 4.420 nan 0.000 0.216 586 P CA 0.000 63.137 63.100 0.062 0.000 0.800 586 P CB 0.000 31.740 31.700 0.066 0.000 0.726