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 1gxd_1_A DATA FIRST_RESID 1 DATA SEQUENCE APSPIIKFPG DVAPKTDKEL AVQYLNTFYG cPKEScNLFV LKDTLKKMQK DATA SEQUENCE FFGLPQTGDL DQNTIETMRK PRCGNPDVAN YNFFPRKPKW DKNQITYRII DATA SEQUENCE GYTPDLDPET VDDAFARAFQ VWSDVTPLRF SRIHDGEADI MINFGRWEHG DATA SEQUENCE DGYPFDGKDG LLAHAFAPGT GVGGDSHFDD DELWTLGEGQ VVRVKYGNAD DATA SEQUENCE GEYcKFPFLF NGKEYNScTD TGRSDGFLWc STTYNFEKDG KYGFcPHEAL DATA SEQUENCE FTMGGNAEGQ PcKFPFRFQG TSYDScTTEG RTDGYRWcGT TEDYDRDKKY DATA SEQUENCE GFcPETAMST VGGNSEGAPc VFPFTFLGNK YEScTSAGRS DGKMWcATTA DATA SEQUENCE NYDDDRKWGF cPDQGYSLFL VAAHAFGHAM GLEHSQDPGA LMAPIYTYTK DATA SEQUENCE NFRLSQDDIK GIQELYGASP DXXXXXXXTP TLGPVTPEIc KQDIVFDGIA DATA SEQUENCE QIRGEIFFFK DRFIWRTVTP RDKPMGPLLV ATFWPELPEK IDAVYEAPQE DATA SEQUENCE EKAVFFAGNE YWIYSASTLE RGYPKPLTSL GLPPDVQRVD AAFNWSKNKK DATA SEQUENCE TYIFAGDKFW RYNEVKKKMD PGFPKLIADA WNAIPDNLDA VVDLQGGGHS DATA SEQUENCE YFFKGAYYLK LENQSLKSVK FGSIKSDWLG c 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.607 177.584 0.037 0.000 1.274 1 A CA 0.000 52.059 52.037 0.036 0.000 0.836 1 A CB 0.000 19.017 19.000 0.027 0.000 0.831 2 P HA 0.316 nan 4.420 nan 0.000 0.277 2 P C -0.233 177.090 177.300 0.039 0.000 1.617 2 P CA 0.228 63.347 63.100 0.031 0.000 0.829 2 P CB -0.260 31.454 31.700 0.024 0.000 1.774 3 S N 3.195 118.925 115.700 0.051 0.000 4.357 3 S HA -0.071 4.398 4.470 -0.001 0.000 0.524 3 S C -1.466 173.173 174.600 0.065 0.000 1.014 3 S CA -0.575 57.666 58.200 0.068 0.000 1.149 3 S CB -0.517 62.726 63.200 0.072 0.000 0.837 3 S HN 0.309 nan 8.310 nan 0.000 0.497 4 P HA 0.182 nan 4.420 nan 0.000 0.267 4 P C -0.486 176.856 177.300 0.071 0.000 1.205 4 P CA -0.023 63.112 63.100 0.059 0.000 0.765 4 P CB 0.409 32.144 31.700 0.060 0.000 0.828 5 I N 4.488 125.082 120.570 0.040 0.000 2.378 5 I HA 0.406 4.575 4.170 -0.001 0.000 0.291 5 I C 0.599 176.715 176.117 -0.002 0.000 0.992 5 I CA -0.847 60.475 61.300 0.037 0.000 1.154 5 I CB 1.774 39.793 38.000 0.031 0.000 1.315 5 I HN 0.332 nan 8.210 nan 0.000 0.448 6 I N 5.903 126.459 120.570 -0.022 0.000 2.846 6 I HA 0.378 4.547 4.170 -0.001 0.000 0.307 6 I C -0.908 175.108 176.117 -0.167 0.000 1.053 6 I CA -0.963 60.251 61.300 -0.143 0.000 1.050 6 I CB 2.670 40.504 38.000 -0.277 0.000 1.239 6 I HN 0.550 nan 8.210 nan 0.000 0.439 7 K N 4.681 124.950 120.400 -0.218 0.000 2.235 7 K HA 0.495 4.815 4.320 -0.001 0.000 0.266 7 K C -1.387 175.037 176.600 -0.293 0.000 0.980 7 K CA -0.222 55.981 56.287 -0.140 0.000 0.849 7 K CB 1.021 33.478 32.500 -0.071 0.000 1.098 7 K HN 0.158 nan 8.250 nan 0.000 0.445 8 F N 2.913 122.678 119.950 -0.308 0.000 2.399 8 F HA 0.322 4.848 4.527 -0.001 0.000 0.334 8 F C -1.881 173.886 175.800 -0.055 0.000 1.097 8 F CA -2.511 55.207 58.000 -0.471 0.000 1.076 8 F CB 1.119 39.323 39.000 -1.328 0.000 1.162 8 F HN 0.416 nan 8.300 nan 0.000 0.495 9 P HA 0.189 nan 4.420 nan 0.000 0.262 9 P C 0.615 178.176 177.300 0.435 0.000 1.199 9 P CA 0.960 64.240 63.100 0.300 0.000 0.763 9 P CB 0.486 32.356 31.700 0.282 0.000 0.790 10 G N 2.645 111.614 108.800 0.281 0.000 2.376 10 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.208 10 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.208 10 G C 0.013 175.088 174.900 0.292 0.000 1.032 10 G CA -0.348 44.910 45.100 0.263 0.000 0.641 10 G HN 0.527 nan 8.290 nan 0.000 0.503 11 D N 0.629 121.254 120.400 0.374 0.000 2.256 11 D HA 0.503 5.142 4.640 -0.001 0.000 0.250 11 D C 0.060 176.493 176.300 0.222 0.000 1.093 11 D CA 0.108 54.309 54.000 0.336 0.000 0.882 11 D CB 1.830 42.843 40.800 0.356 0.000 1.185 11 D HN 0.588 nan 8.370 nan 0.000 0.437 12 V N 2.593 122.633 119.914 0.211 0.000 2.293 12 V HA 0.645 4.764 4.120 -0.001 0.000 0.275 12 V C -0.508 175.681 176.094 0.158 0.000 1.021 12 V CA -0.418 61.971 62.300 0.148 0.000 0.815 12 V CB 0.706 32.597 31.823 0.114 0.000 1.025 12 V HN 0.580 nan 8.190 nan 0.000 0.448 13 A N 8.035 130.930 122.820 0.124 0.000 3.218 13 A HA 0.675 4.994 4.320 -0.001 0.000 0.321 13 A C -1.204 176.435 177.584 0.092 0.000 1.012 13 A CA -0.759 51.349 52.037 0.119 0.000 0.948 13 A CB -0.133 18.934 19.000 0.113 0.000 1.050 13 A HN 0.795 nan 8.150 nan 0.000 0.492 14 P HA 0.031 nan 4.420 nan 0.000 0.196 14 P C -0.440 176.913 177.300 0.088 0.000 1.065 14 P CA 0.133 63.279 63.100 0.076 0.000 0.803 14 P CB -0.208 31.536 31.700 0.072 0.000 0.673 15 K N 0.714 121.178 120.400 0.106 0.000 5.387 15 K HA -0.109 4.210 4.320 -0.001 0.000 0.360 15 K C 0.061 176.717 176.600 0.093 0.000 0.847 15 K CA 0.615 56.978 56.287 0.126 0.000 1.065 15 K CB -1.745 30.863 32.500 0.180 0.000 1.922 15 K HN 0.620 nan 8.250 nan 0.000 0.376 16 T N 0.259 114.859 114.554 0.077 0.000 2.767 16 T HA 0.226 4.576 4.350 -0.001 0.000 0.284 16 T C 0.712 175.446 174.700 0.056 0.000 0.973 16 T CA -0.554 61.580 62.100 0.058 0.000 0.996 16 T CB 1.355 70.251 68.868 0.047 0.000 0.927 16 T HN 0.476 nan 8.240 nan 0.000 0.456 17 D N 2.443 122.870 120.400 0.044 0.000 3.910 17 D HA -0.235 4.404 4.640 -0.001 0.000 0.153 17 D C 1.372 177.703 176.300 0.052 0.000 0.802 17 D CA 1.614 55.637 54.000 0.038 0.000 1.009 17 D CB -0.494 40.327 40.800 0.034 0.000 0.453 17 D HN 0.611 nan 8.370 nan 0.000 0.422 18 K N 1.268 121.700 120.400 0.053 0.000 2.015 18 K HA -0.174 4.146 4.320 -0.001 0.000 0.216 18 K C 1.952 178.609 176.600 0.094 0.000 1.052 18 K CA 2.304 58.631 56.287 0.067 0.000 0.937 18 K CB -0.787 31.747 32.500 0.056 0.000 0.719 18 K HN 0.502 nan 8.250 nan 0.000 0.446 19 E N 0.141 120.393 120.200 0.086 0.000 2.430 19 E HA -0.339 4.010 4.350 -0.001 0.000 0.243 19 E C 1.789 178.481 176.600 0.153 0.000 1.111 19 E CA 2.524 58.984 56.400 0.100 0.000 1.097 19 E CB -0.484 29.271 29.700 0.091 0.000 0.941 19 E HN 0.413 nan 8.360 nan 0.000 0.473 20 L N -1.204 120.142 121.223 0.206 0.000 1.976 20 L HA -0.087 4.253 4.340 -0.001 0.000 0.209 20 L C 2.564 179.709 176.870 0.459 0.000 1.071 20 L CA 1.964 57.050 54.840 0.409 0.000 0.746 20 L CB -0.930 41.313 42.059 0.306 0.000 0.890 20 L HN 0.194 nan 8.230 nan 0.000 0.432 21 A N 0.282 123.260 122.820 0.264 0.000 2.023 21 A HA -0.215 4.104 4.320 -0.001 0.000 0.223 21 A C 2.221 179.932 177.584 0.211 0.000 1.180 21 A CA 2.640 54.808 52.037 0.218 0.000 0.659 21 A CB -1.349 17.721 19.000 0.116 0.000 0.817 21 A HN 0.482 nan 8.150 nan 0.000 0.466 22 V N -0.606 119.411 119.914 0.173 0.000 2.283 22 V HA -0.267 3.852 4.120 -0.001 0.000 0.243 22 V C 2.589 178.742 176.094 0.099 0.000 1.039 22 V CA 2.074 64.446 62.300 0.121 0.000 1.016 22 V CB -0.888 30.988 31.823 0.089 0.000 0.650 22 V HN 0.769 nan 8.190 nan 0.000 0.449 23 Q N -1.123 118.715 119.800 0.065 0.000 2.369 23 Q HA -0.127 4.212 4.340 -0.001 0.000 0.206 23 Q C 1.395 177.243 176.000 -0.253 0.000 0.963 23 Q CA 1.270 56.995 55.803 -0.130 0.000 0.894 23 Q CB 0.098 28.683 28.738 -0.254 0.000 0.965 23 Q HN 0.798 nan 8.270 nan 0.000 0.475 24 Y N -1.004 119.397 120.300 0.169 0.000 2.555 24 Y HA 0.208 4.757 4.550 -0.001 0.000 0.259 24 Y C 1.060 177.193 175.900 0.390 0.000 1.179 24 Y CA -0.070 58.202 58.100 0.286 0.000 1.230 24 Y CB 0.757 39.373 38.460 0.261 0.000 1.146 24 Y HN 0.065 nan 8.280 nan 0.000 0.526 25 L N -0.436 121.008 121.223 0.369 0.000 2.642 25 L HA 0.077 4.416 4.340 -0.001 0.000 0.233 25 L C 1.501 178.601 176.870 0.384 0.000 1.077 25 L CA 0.567 55.643 54.840 0.394 0.000 0.879 25 L CB 0.269 42.434 42.059 0.176 0.000 1.151 25 L HN 0.356 nan 8.230 nan 0.000 0.495 26 N N -2.809 116.016 118.700 0.208 0.000 2.325 26 N HA -0.071 4.668 4.740 -0.001 0.000 0.182 26 N C 1.291 176.817 175.510 0.026 0.000 1.088 26 N CA 0.481 53.608 53.050 0.128 0.000 0.879 26 N CB 0.213 38.742 38.487 0.070 0.000 0.983 26 N HN -0.155 nan 8.380 nan 0.000 0.471 27 T N 0.003 114.507 114.554 -0.085 0.000 2.770 27 T HA 0.014 4.363 4.350 -0.001 0.000 0.263 27 T C 0.334 174.742 174.700 -0.486 0.000 1.039 27 T CA 1.142 62.998 62.100 -0.407 0.000 1.142 27 T CB -0.195 68.192 68.868 -0.802 0.000 0.868 27 T HN 0.341 nan 8.240 nan 0.000 0.435 28 F N -1.410 118.562 119.950 0.037 0.000 2.661 28 F HA 0.422 4.949 4.527 -0.001 0.000 0.306 28 F C 0.384 175.897 175.800 -0.478 0.000 1.094 28 F CA -0.811 57.076 58.000 -0.189 0.000 1.254 28 F CB 0.173 39.023 39.000 -0.250 0.000 1.040 28 F HN 0.107 nan 8.300 nan 0.000 0.562 29 Y N -0.075 120.327 120.300 0.171 0.000 2.791 29 Y HA 0.424 4.973 4.550 -0.001 0.000 0.263 29 Y C 1.197 177.141 175.900 0.073 0.000 1.089 29 Y CA -0.826 57.341 58.100 0.110 0.000 1.253 29 Y CB 0.692 39.223 38.460 0.118 0.000 1.360 29 Y HN 0.017 nan 8.280 nan 0.000 0.569 30 G N 1.689 110.584 108.800 0.158 0.000 2.349 30 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.223 30 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.223 30 G C -0.454 174.509 174.900 0.104 0.000 0.736 30 G CA 0.290 45.453 45.100 0.105 0.000 1.073 30 G HN 0.675 nan 8.290 nan 0.000 0.308 31 c N 5.359 124.011 118.600 0.087 0.000 3.149 31 c HA 0.579 5.148 4.570 -0.001 0.000 0.383 31 c C -1.811 172.313 174.090 0.057 0.000 1.018 31 c CA -0.890 55.485 56.329 0.077 0.000 1.293 31 c CB 0.526 43.094 42.510 0.097 0.000 1.640 31 c HN 0.615 nan 8.230 nan 0.000 0.546 32 P HA 0.202 nan 4.420 nan 0.000 0.339 32 P C 1.019 178.334 177.300 0.024 0.000 1.376 32 P CA 0.265 63.380 63.100 0.024 0.000 0.797 32 P CB 0.320 32.029 31.700 0.015 0.000 1.872 33 K N -0.230 120.178 120.400 0.013 0.000 2.277 33 K HA -0.236 4.083 4.320 -0.001 0.000 0.206 33 K C 0.673 177.284 176.600 0.017 0.000 1.044 33 K CA 1.586 57.879 56.287 0.011 0.000 0.932 33 K CB -0.759 31.743 32.500 0.003 0.000 0.726 33 K HN 0.530 nan 8.250 nan 0.000 0.473 34 E N 2.020 122.237 120.200 0.028 0.000 2.343 34 E HA 0.040 4.390 4.350 -0.001 0.000 0.269 34 E C -0.805 175.823 176.600 0.046 0.000 1.047 34 E CA -0.505 55.915 56.400 0.033 0.000 0.874 34 E CB 1.164 30.896 29.700 0.052 0.000 1.033 34 E HN 0.169 nan 8.360 nan 0.000 0.409 35 S N 3.122 118.845 115.700 0.040 0.000 2.515 35 S HA 0.003 4.473 4.470 -0.001 0.000 0.285 35 S C 0.286 174.945 174.600 0.098 0.000 1.265 35 S CA -0.685 57.548 58.200 0.056 0.000 1.079 35 S CB -0.556 62.666 63.200 0.037 0.000 0.877 35 S HN 0.618 nan 8.310 nan 0.000 0.493 36 c N 5.114 123.774 118.600 0.100 0.000 2.133 36 c HA -0.130 4.439 4.570 -0.001 0.000 0.391 36 c C 1.311 175.514 174.090 0.187 0.000 1.507 36 c CA 0.516 56.915 56.329 0.116 0.000 1.498 36 c CB -1.420 41.143 42.510 0.088 0.000 2.583 36 c HN 1.020 nan 8.230 nan 0.000 0.570 37 N N 2.820 121.626 118.700 0.176 0.000 2.906 37 N HA 0.170 4.910 4.740 -0.001 0.000 0.282 37 N C 0.032 175.524 175.510 -0.030 0.000 1.293 37 N CA -0.017 53.156 53.050 0.205 0.000 1.059 37 N CB -0.268 38.285 38.487 0.110 0.000 1.388 37 N HN 0.548 nan 8.380 nan 0.000 0.533 38 L N -0.607 120.659 121.223 0.072 0.000 2.558 38 L HA 0.163 4.503 4.340 -0.001 0.000 0.225 38 L C 1.436 178.297 176.870 -0.015 0.000 1.128 38 L CA 0.327 55.163 54.840 -0.006 0.000 0.868 38 L CB -0.766 41.313 42.059 0.033 0.000 1.006 38 L HN 0.347 nan 8.230 nan 0.000 0.454 39 F N -1.803 118.153 119.950 0.010 0.000 2.014 39 F HA -0.157 4.369 4.527 -0.001 0.000 0.295 39 F C 2.227 178.032 175.800 0.008 0.000 1.145 39 F CA 1.601 59.606 58.000 0.009 0.000 1.178 39 F CB -1.439 37.566 39.000 0.009 0.000 0.972 39 F HN -0.187 nan 8.300 nan 0.000 0.476 40 V N 0.897 120.190 119.914 -1.035 0.000 3.235 40 V HA 0.244 4.364 4.120 -0.001 0.000 0.259 40 V C 0.697 176.531 176.094 -0.433 0.000 1.133 40 V CA 0.266 62.234 62.300 -0.554 0.000 1.128 40 V CB -0.146 31.355 31.823 -0.537 0.000 0.757 40 V HN 0.264 nan 8.190 nan 0.000 0.469 41 L N -0.175 120.728 121.223 -0.533 0.000 2.376 41 L HA 0.459 4.798 4.340 -0.001 0.000 0.267 41 L C 0.741 177.509 176.870 -0.169 0.000 1.035 41 L CA -0.501 54.170 54.840 -0.281 0.000 0.800 41 L CB 1.218 43.122 42.059 -0.259 0.000 1.290 41 L HN 0.052 nan 8.230 nan 0.000 0.462 42 K N -1.943 118.398 120.400 -0.098 0.000 2.481 42 K HA 0.293 4.612 4.320 -0.001 0.000 0.210 42 K C -0.293 176.286 176.600 -0.035 0.000 1.161 42 K CA -0.330 55.925 56.287 -0.054 0.000 1.023 42 K CB 0.361 32.837 32.500 -0.040 0.000 0.971 42 K HN 0.223 nan 8.250 nan 0.000 0.577 43 D N 0.883 121.262 120.400 -0.036 0.000 2.354 43 D HA 0.327 4.966 4.640 -0.001 0.000 0.247 43 D C 0.215 176.504 176.300 -0.017 0.000 1.138 43 D CA 0.715 54.704 54.000 -0.019 0.000 0.958 43 D CB 1.483 42.279 40.800 -0.007 0.000 1.144 43 D HN 0.153 nan 8.370 nan 0.000 0.458 44 T N -0.199 114.339 114.554 -0.027 0.000 14.030 44 T HA -0.214 4.136 4.350 -0.001 0.000 0.415 44 T C 1.147 175.733 174.700 -0.190 0.000 1.472 44 T CA -0.170 61.889 62.100 -0.069 0.000 2.391 44 T CB -1.074 67.777 68.868 -0.029 0.000 2.711 44 T HN 0.234 nan 8.240 nan 0.000 0.201 45 L N 2.766 123.901 121.223 -0.147 0.000 2.137 45 L HA -0.058 4.281 4.340 -0.001 0.000 0.213 45 L C 2.176 178.973 176.870 -0.121 0.000 1.085 45 L CA 2.202 56.949 54.840 -0.156 0.000 0.760 45 L CB -0.816 41.205 42.059 -0.064 0.000 0.893 45 L HN 0.431 nan 8.230 nan 0.000 0.434 46 K N -0.530 119.828 120.400 -0.071 0.000 1.978 46 K HA -0.240 4.080 4.320 -0.001 0.000 0.214 46 K C 2.043 178.640 176.600 -0.004 0.000 1.049 46 K CA 1.982 58.255 56.287 -0.024 0.000 0.939 46 K CB -0.323 32.173 32.500 -0.007 0.000 0.721 46 K HN 0.272 nan 8.250 nan 0.000 0.441 47 K N 0.466 120.866 120.400 -0.001 0.000 2.211 47 K HA -0.089 4.230 4.320 -0.001 0.000 0.204 47 K C 2.155 178.837 176.600 0.136 0.000 1.047 47 K CA 0.957 57.300 56.287 0.094 0.000 0.935 47 K CB -0.056 32.539 32.500 0.159 0.000 0.728 47 K HN 0.157 nan 8.250 nan 0.000 0.452 48 M N 1.251 120.772 119.600 -0.130 0.000 2.086 48 M HA -0.226 4.254 4.480 -0.001 0.000 0.261 48 M C 1.633 178.060 176.300 0.212 0.000 1.067 48 M CA 1.906 57.154 55.300 -0.086 0.000 1.116 48 M CB -0.276 32.068 32.600 -0.427 0.000 1.348 48 M HN 0.179 nan 8.290 nan 0.000 0.407 49 Q N -0.650 119.220 119.800 0.116 0.000 2.378 49 Q HA -0.127 4.213 4.340 -0.001 0.000 0.205 49 Q C 1.939 178.024 176.000 0.142 0.000 0.954 49 Q CA 0.744 56.635 55.803 0.147 0.000 0.901 49 Q CB -0.039 28.745 28.738 0.076 0.000 0.981 49 Q HN 0.512 nan 8.270 nan 0.000 0.483 50 K N 0.882 121.362 120.400 0.134 0.000 1.978 50 K HA -0.138 4.181 4.320 -0.001 0.000 0.214 50 K C 0.371 177.032 176.600 0.102 0.000 1.049 50 K CA 0.655 57.008 56.287 0.110 0.000 0.939 50 K CB -0.193 32.388 32.500 0.135 0.000 0.721 50 K HN -0.035 nan 8.250 nan 0.000 0.441 51 F N 0.575 120.480 119.950 -0.076 0.000 2.628 51 F HA -0.070 4.456 4.527 -0.001 0.000 0.346 51 F C 0.306 175.995 175.800 -0.185 0.000 1.188 51 F CA 1.310 59.117 58.000 -0.320 0.000 1.376 51 F CB 0.003 38.630 39.000 -0.621 0.000 1.104 51 F HN 0.249 nan 8.300 nan 0.000 0.616 52 F N 0.148 120.131 119.950 0.056 0.000 3.043 52 F HA -0.027 4.499 4.527 -0.001 0.000 0.290 52 F C 0.677 176.474 175.800 -0.005 0.000 0.844 52 F CA 0.521 58.540 58.000 0.032 0.000 1.184 52 F CB -2.161 36.894 39.000 0.091 0.000 1.246 52 F HN 0.906 nan 8.300 nan 0.000 0.536 53 G N 0.366 109.217 108.800 0.085 0.000 2.981 53 G HA2 0.050 4.010 3.960 -0.001 0.000 0.686 53 G HA3 0.050 4.010 3.960 -0.001 0.000 0.686 53 G C -0.067 174.872 174.900 0.064 0.000 1.068 53 G CA -0.585 44.545 45.100 0.051 0.000 0.806 53 G HN 1.396 nan 8.290 nan 0.000 0.568 54 L N 1.274 122.518 121.223 0.035 0.000 2.480 54 L HA 0.568 4.908 4.340 -0.001 0.000 0.243 54 L C -1.795 175.094 176.870 0.032 0.000 1.315 54 L CA -1.704 53.157 54.840 0.036 0.000 1.231 54 L CB 0.236 42.307 42.059 0.019 0.000 1.444 54 L HN 0.191 nan 8.230 nan 0.000 0.409 55 P HA 0.170 nan 4.420 nan 0.000 0.214 55 P C -0.441 176.875 177.300 0.027 0.000 1.807 55 P CA -0.093 63.023 63.100 0.028 0.000 0.921 55 P CB 0.350 32.067 31.700 0.028 0.000 1.835 56 Q N 0.740 120.555 119.800 0.025 0.000 2.301 56 Q HA 0.074 4.413 4.340 -0.001 0.000 0.262 56 Q C 1.035 177.044 176.000 0.014 0.000 1.168 56 Q CA 0.495 56.312 55.803 0.022 0.000 0.908 56 Q CB 0.212 28.962 28.738 0.020 0.000 1.348 56 Q HN 0.333 nan 8.270 nan 0.000 0.441 57 T N -1.095 113.466 114.554 0.013 0.000 2.955 57 T HA 0.439 4.788 4.350 -0.001 0.000 0.251 57 T C 0.883 175.587 174.700 0.008 0.000 1.002 57 T CA 0.438 62.543 62.100 0.009 0.000 0.970 57 T CB 0.697 69.571 68.868 0.009 0.000 1.091 57 T HN 0.719 nan 8.240 nan 0.000 0.495 58 G N 2.047 110.852 108.800 0.008 0.000 2.253 58 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.190 58 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.190 58 G C -0.388 174.515 174.900 0.004 0.000 1.274 58 G CA 0.305 45.408 45.100 0.005 0.000 1.275 58 G HN 0.294 nan 8.290 nan 0.000 0.518 59 D N 0.807 121.211 120.400 0.008 0.000 2.263 59 D HA 0.081 4.720 4.640 -0.001 0.000 0.208 59 D C 1.932 178.238 176.300 0.010 0.000 0.971 59 D CA 0.868 54.873 54.000 0.009 0.000 0.867 59 D CB -0.177 40.634 40.800 0.018 0.000 0.929 59 D HN 1.428 nan 8.370 nan 0.000 0.492 60 L N 1.070 122.299 121.223 0.010 0.000 4.060 60 L HA -0.235 4.105 4.340 -0.001 0.000 0.467 60 L C -0.277 176.597 176.870 0.007 0.000 1.157 60 L CA 0.359 55.204 54.840 0.009 0.000 0.719 60 L CB -1.242 40.822 42.059 0.009 0.000 1.606 60 L HN -0.100 nan 8.230 nan 0.000 0.822 61 D N 0.039 120.445 120.400 0.010 0.000 2.384 61 D HA -0.194 4.446 4.640 -0.001 0.000 0.222 61 D C 1.780 178.083 176.300 0.005 0.000 0.976 61 D CA 1.419 55.425 54.000 0.010 0.000 0.915 61 D CB 0.060 40.870 40.800 0.016 0.000 0.896 61 D HN 0.937 nan 8.370 nan 0.000 0.523 62 Q N -0.351 119.451 119.800 0.004 0.000 2.204 62 Q HA -0.028 4.311 4.340 -0.001 0.000 0.198 62 Q C 1.456 177.454 176.000 -0.004 0.000 0.946 62 Q CA 0.767 56.571 55.803 0.002 0.000 0.859 62 Q CB 0.118 28.858 28.738 0.004 0.000 0.946 62 Q HN -0.008 nan 8.270 nan 0.000 0.474 63 N N -0.487 118.210 118.700 -0.005 0.000 2.382 63 N HA 0.041 4.780 4.740 -0.001 0.000 0.200 63 N C 1.267 176.764 175.510 -0.020 0.000 1.122 63 N CA 0.827 53.870 53.050 -0.011 0.000 0.870 63 N CB 0.558 39.041 38.487 -0.007 0.000 1.176 63 N HN 0.155 nan 8.380 nan 0.000 0.474 64 T N 1.226 115.771 114.554 -0.014 0.000 2.851 64 T HA 0.068 4.417 4.350 -0.001 0.000 0.262 64 T C 1.881 176.557 174.700 -0.040 0.000 1.043 64 T CA 0.857 62.945 62.100 -0.019 0.000 1.140 64 T CB -0.084 68.785 68.868 0.002 0.000 0.872 64 T HN 0.401 nan 8.240 nan 0.000 0.446 65 I N -0.611 119.940 120.570 -0.031 0.000 2.800 65 I HA -0.019 4.150 4.170 -0.001 0.000 0.266 65 I C 1.812 177.883 176.117 -0.077 0.000 1.249 65 I CA 1.371 62.645 61.300 -0.044 0.000 1.458 65 I CB -0.277 37.709 38.000 -0.024 0.000 1.093 65 I HN 0.004 nan 8.210 nan 0.000 0.466 66 E N 1.103 121.259 120.200 -0.074 0.000 2.435 66 E HA -0.026 4.324 4.350 -0.001 0.000 0.195 66 E C 2.035 178.553 176.600 -0.137 0.000 1.029 66 E CA 0.881 57.227 56.400 -0.090 0.000 0.865 66 E CB -0.092 29.571 29.700 -0.063 0.000 0.833 66 E HN 0.540 nan 8.360 nan 0.000 0.510 67 T N 0.433 114.887 114.554 -0.166 0.000 3.009 67 T HA 0.068 4.417 4.350 -0.001 0.000 0.258 67 T C 1.454 175.967 174.700 -0.312 0.000 1.063 67 T CA 0.304 62.239 62.100 -0.275 0.000 1.139 67 T CB 0.110 68.778 68.868 -0.332 0.000 0.890 67 T HN 0.028 nan 8.240 nan 0.000 0.471 68 M N 1.034 120.500 119.600 -0.223 0.000 2.628 68 M HA 0.220 4.699 4.480 -0.001 0.000 0.232 68 M C 1.733 177.866 176.300 -0.277 0.000 1.128 68 M CA 0.506 55.676 55.300 -0.217 0.000 1.040 68 M CB -0.590 31.952 32.600 -0.097 0.000 1.608 68 M HN 0.089 nan 8.290 nan 0.000 0.507 69 R N 0.040 120.398 120.500 -0.238 0.000 2.362 69 R HA 0.119 4.458 4.340 -0.001 0.000 0.227 69 R C -0.113 176.082 176.300 -0.175 0.000 0.905 69 R CA 0.125 56.096 56.100 -0.216 0.000 1.067 69 R CB 0.679 30.884 30.300 -0.159 0.000 1.078 69 R HN 0.114 nan 8.270 nan 0.000 0.516 70 K N 1.659 121.942 120.400 -0.194 0.000 2.098 70 K HA 0.292 4.611 4.320 -0.001 0.000 0.258 70 K C -2.449 174.054 176.600 -0.162 0.000 0.973 70 K CA -2.077 54.112 56.287 -0.163 0.000 0.898 70 K CB 1.262 33.646 32.500 -0.194 0.000 1.057 70 K HN -0.002 nan 8.250 nan 0.000 0.447 71 P HA 0.045 nan 4.420 nan 0.000 0.271 71 P C -1.149 176.038 177.300 -0.189 0.000 1.226 71 P CA -0.021 62.962 63.100 -0.194 0.000 0.765 71 P CB 0.819 32.388 31.700 -0.218 0.000 0.835 72 R N 2.722 123.100 120.500 -0.203 0.000 2.885 72 R HA 0.616 4.955 4.340 -0.001 0.000 0.260 72 R C -0.888 175.329 176.300 -0.138 0.000 1.107 72 R CA -0.872 55.131 56.100 -0.162 0.000 0.978 72 R CB 0.047 30.232 30.300 -0.193 0.000 1.227 72 R HN 0.403 nan 8.270 nan 0.000 0.473 73 C N 0.618 119.862 119.300 -0.093 0.000 2.657 73 C HA 0.527 4.987 4.460 -0.001 0.000 0.404 73 C C 1.887 176.998 174.990 0.202 0.000 1.291 73 C CA 0.540 59.549 59.018 -0.015 0.000 2.218 73 C CB 0.223 28.061 27.740 0.164 0.000 2.687 73 C HN 0.944 nan 8.230 nan 0.000 0.634 74 G N 3.572 112.475 108.800 0.171 0.000 2.813 74 G HA2 0.023 3.982 3.960 -0.001 0.000 0.209 74 G HA3 0.023 3.982 3.960 -0.001 0.000 0.209 74 G C 0.552 175.598 174.900 0.244 0.000 1.150 74 G CA 0.016 45.285 45.100 0.281 0.000 0.785 74 G HN 0.793 nan 8.290 nan 0.000 0.535 75 N N 1.148 119.974 118.700 0.209 0.000 2.503 75 N HA 0.268 5.007 4.740 -0.001 0.000 0.267 75 N C -2.663 173.015 175.510 0.280 0.000 1.214 75 N CA -1.165 51.898 53.050 0.021 0.000 0.959 75 N CB 1.448 39.662 38.487 -0.455 0.000 1.142 75 N HN -0.036 nan 8.380 nan 0.000 0.455 76 P HA 0.194 nan 4.420 nan 0.000 0.274 76 P C -0.080 177.287 177.300 0.111 0.000 1.237 76 P CA -0.211 62.945 63.100 0.094 0.000 0.793 76 P CB 0.847 32.536 31.700 -0.018 0.000 0.977 77 D N -0.404 119.939 120.400 -0.095 0.000 2.338 77 D HA 0.018 4.657 4.640 -0.001 0.000 0.208 77 D C 0.848 177.044 176.300 -0.174 0.000 0.997 77 D CA 0.760 54.608 54.000 -0.253 0.000 0.880 77 D CB 0.026 40.180 40.800 -1.077 0.000 0.980 77 D HN 0.223 nan 8.370 nan 0.000 0.509 78 V N -2.757 117.061 119.914 -0.159 0.000 3.193 78 V HA 0.801 4.920 4.120 -0.001 0.000 0.320 78 V C 0.022 176.149 176.094 0.056 0.000 1.112 78 V CA -1.019 61.269 62.300 -0.020 0.000 1.026 78 V CB 1.234 33.060 31.823 0.004 0.000 1.128 78 V HN 0.182 nan 8.190 nan 0.000 0.452 79 A N 1.038 123.939 122.820 0.136 0.000 1.786 79 A HA -0.242 4.078 4.320 -0.001 0.000 0.237 79 A C 1.018 178.767 177.584 0.276 0.000 1.309 79 A CA 1.058 53.255 52.037 0.266 0.000 0.713 79 A CB -2.330 16.792 19.000 0.203 0.000 1.194 79 A HN 1.303 nan 8.150 nan 0.000 0.252 80 N N 0.208 119.042 118.700 0.224 0.000 2.520 80 N HA -0.124 4.615 4.740 -0.001 0.000 0.185 80 N C 0.999 176.894 175.510 0.643 0.000 1.068 80 N CA 1.218 54.370 53.050 0.170 0.000 0.911 80 N CB -0.153 38.292 38.487 -0.071 0.000 0.961 80 N HN 0.852 nan 8.380 nan 0.000 0.446 81 Y N 1.286 121.776 120.300 0.316 0.000 2.651 81 Y HA -0.085 4.464 4.550 -0.001 0.000 0.296 81 Y C 0.529 176.437 175.900 0.014 0.000 1.150 81 Y CA 0.203 58.336 58.100 0.055 0.000 1.348 81 Y CB -0.831 37.627 38.460 -0.003 0.000 0.983 81 Y HN 0.191 nan 8.280 nan 0.000 0.555 82 N N 0.910 119.805 118.700 0.326 0.000 2.429 82 N HA -0.158 4.581 4.740 -0.001 0.000 0.271 82 N C -0.483 175.190 175.510 0.272 0.000 1.272 82 N CA -0.251 52.946 53.050 0.244 0.000 0.921 82 N CB 0.042 38.604 38.487 0.124 0.000 1.128 82 N HN 0.069 nan 8.380 nan 0.000 0.481 83 F N 3.195 123.175 119.950 0.050 0.000 1.982 83 F HA -0.212 4.315 4.527 -0.001 0.000 0.431 83 F C -0.271 175.569 175.800 0.066 0.000 0.909 83 F CA 1.102 59.076 58.000 -0.043 0.000 0.934 83 F CB -0.826 38.137 39.000 -0.062 0.000 0.731 83 F HN 0.582 nan 8.300 nan 0.000 0.486 84 F N 4.716 124.323 119.950 -0.572 0.000 2.714 84 F HA 0.549 5.075 4.527 -0.001 0.000 0.313 84 F C -3.382 172.061 175.800 -0.595 0.000 1.104 84 F CA -2.819 54.882 58.000 -0.498 0.000 1.005 84 F CB 0.157 39.005 39.000 -0.255 0.000 1.268 84 F HN -0.021 nan 8.300 nan 0.000 0.449 85 P HA 0.299 nan 4.420 nan 0.000 0.269 85 P C 0.519 177.602 177.300 -0.361 0.000 1.209 85 P CA -0.374 62.395 63.100 -0.552 0.000 0.776 85 P CB 0.759 32.290 31.700 -0.282 0.000 0.876 86 R N 1.973 122.252 120.500 -0.368 0.000 2.133 86 R HA -0.170 4.169 4.340 -0.001 0.000 0.245 86 R C 1.031 177.363 176.300 0.055 0.000 1.137 86 R CA 1.576 57.585 56.100 -0.152 0.000 0.947 86 R CB -1.151 29.062 30.300 -0.143 0.000 0.865 86 R HN 0.517 nan 8.270 nan 0.000 0.437 87 K N 2.798 123.184 120.400 -0.023 0.000 2.262 87 K HA 0.127 4.447 4.320 -0.001 0.000 0.288 87 K C -2.460 174.091 176.600 -0.082 0.000 1.090 87 K CA -1.557 54.696 56.287 -0.058 0.000 0.918 87 K CB 0.930 33.383 32.500 -0.079 0.000 1.139 87 K HN -0.049 nan 8.250 nan 0.000 0.462 88 P HA 0.198 nan 4.420 nan 0.000 0.232 88 P C -1.144 175.986 177.300 -0.282 0.000 1.814 88 P CA -0.029 62.915 63.100 -0.259 0.000 1.085 88 P CB -0.038 31.433 31.700 -0.382 0.000 1.901 89 K N 1.434 121.663 120.400 -0.284 0.000 2.579 89 K HA 0.170 4.489 4.320 -0.001 0.000 0.257 89 K C -1.471 175.061 176.600 -0.114 0.000 0.950 89 K CA -0.717 55.430 56.287 -0.233 0.000 0.862 89 K CB 0.646 32.960 32.500 -0.310 0.000 1.317 89 K HN -0.029 nan 8.250 nan 0.000 0.436 90 W N 3.428 124.869 121.300 0.235 0.000 2.295 90 W HA 0.037 4.696 4.660 -0.001 0.000 0.335 90 W C 0.647 177.255 176.519 0.149 0.000 1.351 90 W CA -0.044 57.417 57.345 0.193 0.000 1.273 90 W CB 0.566 30.146 29.460 0.200 0.000 1.214 90 W HN 0.624 nan 8.180 nan 0.000 0.563 91 D N 2.498 123.105 120.400 0.344 0.000 2.324 91 D HA -0.003 4.636 4.640 -0.001 0.000 0.235 91 D C 0.118 176.527 176.300 0.182 0.000 1.095 91 D CA 0.777 54.894 54.000 0.195 0.000 0.871 91 D CB 0.139 41.015 40.800 0.127 0.000 0.906 91 D HN 0.385 nan 8.370 nan 0.000 0.522 92 K N -1.170 119.369 120.400 0.231 0.000 2.372 92 K HA 0.477 4.796 4.320 -0.001 0.000 0.251 92 K C 0.142 176.777 176.600 0.058 0.000 1.055 92 K CA -0.830 55.517 56.287 0.101 0.000 0.879 92 K CB 0.914 33.434 32.500 0.034 0.000 1.384 92 K HN -0.375 nan 8.250 nan 0.000 0.465 93 N N -0.372 118.298 118.700 -0.050 0.000 2.113 93 N HA 0.028 4.767 4.740 -0.001 0.000 0.223 93 N C -1.073 174.286 175.510 -0.251 0.000 1.310 93 N CA 0.132 53.103 53.050 -0.133 0.000 0.896 93 N CB 1.062 39.506 38.487 -0.071 0.000 1.097 93 N HN 0.437 nan 8.380 nan 0.000 0.507 94 Q N 1.102 120.768 119.800 -0.222 0.000 2.394 94 Q HA 0.478 4.818 4.340 -0.001 0.000 0.259 94 Q C -1.146 174.675 176.000 -0.299 0.000 1.021 94 Q CA -0.231 55.420 55.803 -0.253 0.000 0.805 94 Q CB 0.956 29.596 28.738 -0.162 0.000 1.226 94 Q HN 0.147 nan 8.270 nan 0.000 0.476 95 I N 3.289 123.619 120.570 -0.400 0.000 2.389 95 I HA 0.286 4.456 4.170 -0.001 0.000 0.288 95 I C 0.487 176.472 176.117 -0.221 0.000 0.999 95 I CA -0.772 60.290 61.300 -0.396 0.000 1.129 95 I CB 1.816 39.501 38.000 -0.526 0.000 1.288 95 I HN 0.541 nan 8.210 nan 0.000 0.444 96 T N 2.915 117.337 114.554 -0.220 0.000 2.849 96 T HA 0.568 4.918 4.350 -0.001 0.000 0.284 96 T C -0.654 173.979 174.700 -0.111 0.000 1.004 96 T CA -0.312 61.680 62.100 -0.179 0.000 1.021 96 T CB 1.319 70.084 68.868 -0.172 0.000 1.013 96 T HN 0.547 nan 8.240 nan 0.000 0.527 97 Y N -1.280 118.890 120.300 -0.218 0.000 2.552 97 Y HA 0.748 5.297 4.550 -0.001 0.000 0.337 97 Y C -0.911 174.918 175.900 -0.117 0.000 1.094 97 Y CA -1.550 56.446 58.100 -0.174 0.000 1.028 97 Y CB 1.601 39.911 38.460 -0.251 0.000 1.321 97 Y HN 0.985 nan 8.280 nan 0.000 0.456 98 R N 4.055 124.578 120.500 0.039 0.000 2.533 98 R HA 0.593 4.932 4.340 -0.001 0.000 0.288 98 R C -1.846 174.485 176.300 0.051 0.000 1.039 98 R CA -0.707 55.364 56.100 -0.049 0.000 0.909 98 R CB 1.383 31.642 30.300 -0.069 0.000 1.195 98 R HN 0.952 nan 8.270 nan 0.000 0.438 99 I N 7.365 127.952 120.570 0.029 0.000 2.372 99 I HA 0.025 4.195 4.170 -0.001 0.000 0.298 99 I C 1.202 177.298 176.117 -0.034 0.000 1.137 99 I CA 0.038 61.336 61.300 -0.004 0.000 1.314 99 I CB 0.592 38.573 38.000 -0.031 0.000 1.444 99 I HN 0.727 nan 8.210 nan 0.000 0.541 100 I N 4.393 124.985 120.570 0.036 0.000 2.400 100 I HA 0.064 4.233 4.170 -0.001 0.000 0.248 100 I C 1.357 177.535 176.117 0.102 0.000 1.109 100 I CA 0.515 61.861 61.300 0.078 0.000 1.425 100 I CB -0.085 37.988 38.000 0.122 0.000 1.094 100 I HN 0.556 nan 8.210 nan 0.000 0.425 101 G N -1.281 107.606 108.800 0.147 0.000 2.481 101 G HA2 0.555 4.515 3.960 -0.001 0.000 0.315 101 G HA3 0.555 4.515 3.960 -0.001 0.000 0.315 101 G C -1.588 173.455 174.900 0.239 0.000 1.231 101 G CA -0.202 45.051 45.100 0.255 0.000 0.968 101 G HN -0.115 nan 8.290 nan 0.000 0.482 102 Y N -0.869 119.511 120.300 0.133 0.000 3.072 102 Y HA 0.800 5.349 4.550 -0.001 0.000 0.314 102 Y C 0.595 175.955 175.900 -0.899 0.000 1.446 102 Y CA -0.470 57.512 58.100 -0.197 0.000 1.055 102 Y CB 2.329 40.766 38.460 -0.038 0.000 1.365 102 Y HN 0.638 nan 8.280 nan 0.000 0.657 103 T N 0.439 114.676 114.554 -0.528 0.000 3.041 103 T HA 0.339 4.688 4.350 -0.001 0.000 0.321 103 T C -2.617 171.990 174.700 -0.156 0.000 1.184 103 T CA -1.848 59.948 62.100 -0.506 0.000 1.050 103 T CB 1.447 69.883 68.868 -0.719 0.000 1.159 103 T HN 0.194 nan 8.240 nan 0.000 0.469 104 P HA 0.032 nan 4.420 nan 0.000 0.220 104 P C 0.720 178.013 177.300 -0.010 0.000 1.148 104 P CA 0.713 63.793 63.100 -0.033 0.000 0.803 104 P CB 0.151 31.834 31.700 -0.028 0.000 0.782 105 D N -0.967 119.444 120.400 0.018 0.000 2.350 105 D HA 0.002 4.641 4.640 -0.001 0.000 0.216 105 D C 0.561 176.898 176.300 0.061 0.000 0.968 105 D CA 0.928 54.957 54.000 0.048 0.000 0.894 105 D CB -0.024 40.825 40.800 0.083 0.000 0.909 105 D HN 0.242 nan 8.370 nan 0.000 0.520 106 L N 1.000 122.244 121.223 0.036 0.000 2.445 106 L HA 0.194 4.534 4.340 -0.001 0.000 0.262 106 L C -0.287 176.594 176.870 0.019 0.000 0.974 106 L CA -1.146 53.725 54.840 0.052 0.000 0.822 106 L CB 2.624 44.710 42.059 0.046 0.000 1.339 106 L HN -0.128 nan 8.230 nan 0.000 0.409 107 D N 2.886 123.304 120.400 0.031 0.000 2.424 107 D HA 0.041 4.681 4.640 -0.001 0.000 0.244 107 D C -1.989 174.295 176.300 -0.027 0.000 1.134 107 D CA -1.277 52.708 54.000 -0.026 0.000 0.881 107 D CB 1.630 42.406 40.800 -0.039 0.000 1.191 107 D HN 0.301 nan 8.370 nan 0.000 0.445 108 P HA -0.189 nan 4.420 nan 0.000 0.222 108 P C 0.957 178.308 177.300 0.085 0.000 1.142 108 P CA 1.072 64.082 63.100 -0.150 0.000 0.788 108 P CB 0.340 31.779 31.700 -0.436 0.000 0.767 109 E N -0.439 119.785 120.200 0.039 0.000 2.072 109 E HA -0.078 4.271 4.350 -0.001 0.000 0.190 109 E C 1.976 178.639 176.600 0.104 0.000 0.982 109 E CA 1.339 57.786 56.400 0.079 0.000 0.803 109 E CB -0.440 29.274 29.700 0.023 0.000 0.755 109 E HN 0.253 nan 8.360 nan 0.000 0.453 110 T N 0.975 115.584 114.554 0.092 0.000 2.746 110 T HA -0.121 4.229 4.350 -0.001 0.000 0.267 110 T C 2.099 176.827 174.700 0.047 0.000 1.039 110 T CA 0.892 63.061 62.100 0.115 0.000 1.142 110 T CB -0.201 68.773 68.868 0.176 0.000 0.866 110 T HN -0.038 nan 8.240 nan 0.000 0.444 111 V N 1.943 121.881 119.914 0.039 0.000 2.261 111 V HA -0.189 3.931 4.120 -0.001 0.000 0.246 111 V C 2.441 178.481 176.094 -0.091 0.000 1.047 111 V CA 1.809 64.042 62.300 -0.112 0.000 1.015 111 V CB -0.598 31.266 31.823 0.068 0.000 0.642 111 V HN 0.407 nan 8.190 nan 0.000 0.446 112 D N -0.075 120.458 120.400 0.221 0.000 2.126 112 D HA -0.239 4.401 4.640 -0.001 0.000 0.190 112 D C 2.018 178.472 176.300 0.257 0.000 1.001 112 D CA 1.925 56.118 54.000 0.323 0.000 0.841 112 D CB -0.443 40.562 40.800 0.342 0.000 0.949 112 D HN 0.514 nan 8.370 nan 0.000 0.446 113 D N 0.381 120.885 120.400 0.173 0.000 2.084 113 D HA -0.118 4.521 4.640 -0.001 0.000 0.196 113 D C 1.998 178.380 176.300 0.136 0.000 0.985 113 D CA 1.524 55.620 54.000 0.159 0.000 0.826 113 D CB -0.070 40.803 40.800 0.121 0.000 0.978 113 D HN 0.078 nan 8.370 nan 0.000 0.456 114 A N 0.533 123.371 122.820 0.030 0.000 1.896 114 A HA -0.248 4.071 4.320 -0.001 0.000 0.220 114 A C 2.212 179.862 177.584 0.111 0.000 1.206 114 A CA 1.847 53.886 52.037 0.003 0.000 0.647 114 A CB -1.320 17.563 19.000 -0.195 0.000 0.828 114 A HN 0.289 nan 8.150 nan 0.000 0.455 115 F N -0.182 119.824 119.950 0.094 0.000 2.010 115 F HA -0.128 4.398 4.527 -0.001 0.000 0.296 115 F C 2.967 178.855 175.800 0.146 0.000 1.146 115 F CA 0.743 58.790 58.000 0.078 0.000 1.181 115 F CB -1.408 37.648 39.000 0.093 0.000 0.965 115 F HN 0.280 nan 8.300 nan 0.000 0.480 116 A N 0.020 123.107 122.820 0.445 0.000 2.009 116 A HA -0.280 4.039 4.320 -0.001 0.000 0.222 116 A C 2.340 180.141 177.584 0.363 0.000 1.175 116 A CA 2.133 54.419 52.037 0.416 0.000 0.651 116 A CB -0.809 18.419 19.000 0.380 0.000 0.815 116 A HN 0.428 nan 8.150 nan 0.000 0.459 117 R N -1.015 119.689 120.500 0.340 0.000 2.090 117 R HA 0.028 4.367 4.340 -0.001 0.000 0.228 117 R C 2.564 179.152 176.300 0.481 0.000 1.110 117 R CA 1.004 57.331 56.100 0.378 0.000 0.973 117 R CB -0.446 30.031 30.300 0.295 0.000 0.869 117 R HN 0.534 nan 8.270 nan 0.000 0.440 118 A N 1.227 124.268 122.820 0.368 0.000 1.858 118 A HA -0.174 4.145 4.320 -0.001 0.000 0.216 118 A C 1.873 179.557 177.584 0.167 0.000 1.190 118 A CA 1.266 53.359 52.037 0.093 0.000 0.617 118 A CB -0.699 18.290 19.000 -0.018 0.000 0.827 118 A HN 0.153 nan 8.150 nan 0.000 0.443 119 F N 0.345 120.433 119.950 0.230 0.000 2.091 119 F HA -0.252 4.274 4.527 -0.001 0.000 0.299 119 F C 2.730 178.676 175.800 0.243 0.000 1.103 119 F CA 1.810 59.832 58.000 0.037 0.000 1.228 119 F CB -0.897 37.914 39.000 -0.315 0.000 0.984 119 F HN 0.327 nan 8.300 nan 0.000 0.477 120 Q N -0.282 119.767 119.800 0.415 0.000 2.152 120 Q HA -0.206 4.134 4.340 -0.001 0.000 0.206 120 Q C 2.408 178.543 176.000 0.226 0.000 0.985 120 Q CA 1.731 57.724 55.803 0.316 0.000 0.863 120 Q CB -0.592 28.302 28.738 0.261 0.000 0.904 120 Q HN 0.276 nan 8.270 nan 0.000 0.422 121 V N -0.466 119.520 119.914 0.120 0.000 2.370 121 V HA -0.284 3.835 4.120 -0.001 0.000 0.252 121 V C 1.490 177.497 176.094 -0.145 0.000 1.068 121 V CA 2.084 64.332 62.300 -0.087 0.000 1.061 121 V CB -0.520 31.099 31.823 -0.339 0.000 0.656 121 V HN 0.496 nan 8.190 nan 0.000 0.455 122 W N -1.074 120.391 121.300 0.275 0.000 2.539 122 W HA 0.002 4.662 4.660 -0.001 0.000 0.281 122 W C 2.749 179.399 176.519 0.218 0.000 1.220 122 W CA 0.580 58.079 57.345 0.257 0.000 1.332 122 W CB -0.394 29.262 29.460 0.326 0.000 1.095 122 W HN 0.003 nan 8.180 nan 0.000 0.571 123 S N 0.727 116.700 115.700 0.455 0.000 2.353 123 S HA -0.209 4.260 4.470 -0.001 0.000 0.222 123 S C 1.127 175.829 174.600 0.170 0.000 1.035 123 S CA 1.757 60.104 58.200 0.245 0.000 1.025 123 S CB -0.684 62.642 63.200 0.211 0.000 0.902 123 S HN 0.191 nan 8.310 nan 0.000 0.440 124 D N 0.825 121.323 120.400 0.164 0.000 2.362 124 D HA -0.087 4.553 4.640 -0.001 0.000 0.215 124 D C 1.318 177.682 176.300 0.107 0.000 0.978 124 D CA 0.970 55.038 54.000 0.113 0.000 0.921 124 D CB -0.192 40.665 40.800 0.095 0.000 0.895 124 D HN 0.494 nan 8.370 nan 0.000 0.494 125 V N -2.889 117.114 119.914 0.148 0.000 3.166 125 V HA 0.350 4.469 4.120 -0.001 0.000 0.332 125 V C 0.037 176.225 176.094 0.157 0.000 1.434 125 V CA 0.285 62.672 62.300 0.145 0.000 1.121 125 V CB 0.420 32.344 31.823 0.169 0.000 1.062 125 V HN 0.059 nan 8.190 nan 0.000 0.489 126 T N -3.034 111.601 114.554 0.135 0.000 2.868 126 T HA 0.573 4.923 4.350 -0.001 0.000 0.306 126 T C -2.753 171.962 174.700 0.024 0.000 1.224 126 T CA -0.907 61.252 62.100 0.098 0.000 1.012 126 T CB 1.911 70.839 68.868 0.100 0.000 1.221 126 T HN -0.025 nan 8.240 nan 0.000 0.499 127 P HA 0.185 nan 4.420 nan 0.000 0.247 127 P C 0.207 177.425 177.300 -0.137 0.000 1.225 127 P CA -0.157 62.920 63.100 -0.038 0.000 0.768 127 P CB -0.047 31.651 31.700 -0.003 0.000 1.020 128 L N 0.981 122.071 121.223 -0.222 0.000 2.426 128 L HA 0.192 4.531 4.340 -0.001 0.000 0.271 128 L C 0.939 177.468 176.870 -0.569 0.000 1.169 128 L CA 0.082 54.629 54.840 -0.489 0.000 0.836 128 L CB 0.298 41.974 42.059 -0.638 0.000 1.112 128 L HN -0.199 nan 8.230 nan 0.000 0.465 129 R N 3.441 123.503 120.500 -0.729 0.000 2.502 129 R HA 0.401 4.741 4.340 -0.001 0.000 0.298 129 R C -1.429 174.466 176.300 -0.674 0.000 1.018 129 R CA -0.690 55.078 56.100 -0.554 0.000 0.899 129 R CB 1.197 31.332 30.300 -0.275 0.000 1.181 129 R HN 0.237 nan 8.270 nan 0.000 0.444 130 F N 0.791 120.612 119.950 -0.216 0.000 2.410 130 F HA 0.463 4.989 4.527 -0.001 0.000 0.349 130 F C 0.496 176.222 175.800 -0.123 0.000 1.117 130 F CA -0.380 57.433 58.000 -0.312 0.000 1.104 130 F CB 1.648 40.191 39.000 -0.762 0.000 1.122 130 F HN 0.183 nan 8.300 nan 0.000 0.483 131 S N 3.228 118.924 115.700 -0.007 0.000 2.561 131 S HA 0.456 4.925 4.470 -0.001 0.000 0.303 131 S C -0.479 173.877 174.600 -0.407 0.000 1.110 131 S CA -0.999 57.133 58.200 -0.114 0.000 1.034 131 S CB 1.802 64.930 63.200 -0.120 0.000 1.010 131 S HN 0.629 nan 8.310 nan 0.000 0.482 132 R N 3.260 123.375 120.500 -0.642 0.000 2.438 132 R HA 0.483 4.822 4.340 -0.001 0.000 0.287 132 R C -0.402 175.544 176.300 -0.589 0.000 1.077 132 R CA -0.311 55.146 56.100 -1.072 0.000 1.034 132 R CB 0.187 29.917 30.300 -0.950 0.000 0.993 132 R HN 0.822 nan 8.270 nan 0.000 0.459 133 I N 0.784 121.030 120.570 -0.540 0.000 2.693 133 I HA 0.338 4.508 4.170 -0.001 0.000 0.303 133 I C -0.650 175.247 176.117 -0.366 0.000 1.025 133 I CA -0.932 60.174 61.300 -0.324 0.000 1.086 133 I CB 2.271 40.163 38.000 -0.180 0.000 1.268 133 I HN 0.739 nan 8.210 nan 0.000 0.440 134 H N 1.107 120.139 119.070 -0.064 0.000 2.652 134 H HA 0.393 4.949 4.556 -0.001 0.000 0.274 134 H C -1.076 174.245 175.328 -0.012 0.000 1.021 134 H CA -0.113 55.918 56.048 -0.029 0.000 1.187 134 H CB 0.416 30.172 29.762 -0.009 0.000 1.505 134 H HN 0.724 nan 8.280 nan 0.000 0.530 135 D N -0.718 119.723 120.400 0.069 0.000 2.859 135 D HA 0.449 5.088 4.640 -0.001 0.000 0.223 135 D C 0.380 176.696 176.300 0.028 0.000 1.218 135 D CA 0.454 54.486 54.000 0.055 0.000 0.850 135 D CB 1.263 42.097 40.800 0.058 0.000 1.656 135 D HN 0.301 nan 8.370 nan 0.000 0.484 136 G N 1.882 110.703 108.800 0.035 0.000 2.698 136 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.233 136 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.233 136 G C -0.514 174.403 174.900 0.028 0.000 1.352 136 G CA -0.544 44.574 45.100 0.031 0.000 0.879 136 G HN 0.568 nan 8.290 nan 0.000 0.567 137 E N 0.562 120.781 120.200 0.031 0.000 2.313 137 E HA 0.584 4.933 4.350 -0.001 0.000 0.276 137 E C 0.699 177.311 176.600 0.019 0.000 1.031 137 E CA 0.605 57.027 56.400 0.037 0.000 0.857 137 E CB 1.292 31.021 29.700 0.048 0.000 1.040 137 E HN 1.072 nan 8.360 nan 0.000 0.408 138 A N 3.222 126.055 122.820 0.021 0.000 2.389 138 A HA 0.323 4.643 4.320 -0.001 0.000 0.293 138 A C 0.591 178.187 177.584 0.021 0.000 1.186 138 A CA -0.529 51.502 52.037 -0.010 0.000 0.828 138 A CB 0.784 19.756 19.000 -0.046 0.000 1.369 138 A HN 0.599 nan 8.150 nan 0.000 0.446 139 D N -0.464 119.913 120.400 -0.037 0.000 2.264 139 D HA 0.015 4.654 4.640 -0.001 0.000 0.208 139 D C -0.069 176.287 176.300 0.094 0.000 0.966 139 D CA 1.587 55.560 54.000 -0.045 0.000 0.864 139 D CB 0.151 40.703 40.800 -0.414 0.000 0.933 139 D HN 0.401 nan 8.370 nan 0.000 0.499 140 I N 1.417 122.040 120.570 0.087 0.000 2.500 140 I HA 0.129 4.298 4.170 -0.001 0.000 0.286 140 I C -0.731 175.483 176.117 0.163 0.000 1.063 140 I CA -0.587 60.808 61.300 0.160 0.000 1.062 140 I CB 1.950 40.033 38.000 0.138 0.000 1.223 140 I HN -0.324 nan 8.210 nan 0.000 0.435 141 M N 7.056 126.765 119.600 0.180 0.000 2.063 141 M HA 0.471 4.950 4.480 -0.001 0.000 0.348 141 M C -0.292 176.127 176.300 0.198 0.000 1.180 141 M CA -0.554 54.854 55.300 0.179 0.000 1.059 141 M CB 0.634 33.356 32.600 0.204 0.000 1.544 141 M HN 0.351 nan 8.290 nan 0.000 0.447 142 I N 3.277 123.932 120.570 0.141 0.000 2.342 142 I HA 0.356 4.525 4.170 -0.001 0.000 0.291 142 I C 0.147 176.361 176.117 0.161 0.000 1.010 142 I CA -0.222 61.136 61.300 0.096 0.000 1.308 142 I CB 0.861 38.751 38.000 -0.183 0.000 1.400 142 I HN 0.724 nan 8.210 nan 0.000 0.488 143 N N 4.389 123.221 118.700 0.220 0.000 2.825 143 N HA 0.572 5.311 4.740 -0.001 0.000 0.253 143 N C -1.743 173.859 175.510 0.154 0.000 1.426 143 N CA -0.579 52.621 53.050 0.249 0.000 0.851 143 N CB 2.015 40.627 38.487 0.207 0.000 1.470 143 N HN 0.193 nan 8.380 nan 0.000 0.517 144 F N -0.012 120.059 119.950 0.202 0.000 2.522 144 F HA 0.793 5.319 4.527 -0.001 0.000 0.324 144 F C 0.871 176.764 175.800 0.155 0.000 1.077 144 F CA -0.262 57.867 58.000 0.215 0.000 0.944 144 F CB 2.268 41.389 39.000 0.203 0.000 1.175 144 F HN 0.500 nan 8.300 nan 0.000 0.468 145 G N 1.479 110.469 108.800 0.317 0.000 2.601 145 G HA2 0.616 4.575 3.960 -0.001 0.000 0.291 145 G HA3 0.616 4.575 3.960 -0.001 0.000 0.291 145 G C -1.629 173.444 174.900 0.289 0.000 1.456 145 G CA -1.107 44.137 45.100 0.239 0.000 0.804 145 G HN 0.548 nan 8.290 nan 0.000 0.499 146 R N -0.895 119.795 120.500 0.317 0.000 2.867 146 R HA 0.563 4.902 4.340 -0.001 0.000 0.227 146 R C -0.482 176.097 176.300 0.465 0.000 1.372 146 R CA -0.814 55.515 56.100 0.383 0.000 1.083 146 R CB 0.624 31.188 30.300 0.440 0.000 1.596 146 R HN 0.553 nan 8.270 nan 0.000 0.522 147 W N 1.196 122.639 121.300 0.238 0.000 2.480 147 W HA -0.005 4.655 4.660 -0.001 0.000 0.337 147 W C 0.359 176.970 176.519 0.153 0.000 1.201 147 W CA -0.015 57.449 57.345 0.198 0.000 1.309 147 W CB -0.629 28.915 29.460 0.141 0.000 1.168 147 W HN 0.701 nan 8.180 nan 0.000 0.566 148 E N 1.442 121.843 120.200 0.336 0.000 2.313 148 E HA -0.277 4.072 4.350 -0.001 0.000 0.190 148 E C 0.780 177.476 176.600 0.160 0.000 1.406 148 E CA 1.025 57.519 56.400 0.157 0.000 0.668 148 E CB -1.305 28.470 29.700 0.125 0.000 1.135 148 E HN 0.650 nan 8.360 nan 0.000 0.375 149 H N 0.678 119.764 119.070 0.027 0.000 2.551 149 H HA 0.413 4.968 4.556 -0.001 0.000 0.271 149 H C 1.470 176.806 175.328 0.012 0.000 0.984 149 H CA 0.724 56.778 56.048 0.010 0.000 1.164 149 H CB 0.973 30.697 29.762 -0.063 0.000 1.437 149 H HN 0.719 nan 8.280 nan 0.000 0.550 150 G N 1.857 110.547 108.800 -0.183 0.000 2.318 150 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.172 150 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.172 150 G C 0.264 175.120 174.900 -0.073 0.000 1.002 150 G CA 0.214 45.264 45.100 -0.083 0.000 0.697 150 G HN 0.528 nan 8.290 nan 0.000 0.483 151 D N -0.428 119.887 120.400 -0.141 0.000 2.433 151 D HA 0.430 5.069 4.640 -0.001 0.000 0.211 151 D C 1.825 178.076 176.300 -0.082 0.000 1.114 151 D CA 0.799 54.827 54.000 0.046 0.000 0.837 151 D CB -0.025 41.023 40.800 0.415 0.000 0.984 151 D HN 1.470 nan 8.370 nan 0.000 0.505 152 G N -0.178 108.490 108.800 -0.221 0.000 2.217 152 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.246 152 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.246 152 G C -0.349 174.273 174.900 -0.464 0.000 0.990 152 G CA -0.046 44.835 45.100 -0.365 0.000 0.627 152 G HN 0.354 nan 8.290 nan 0.000 0.522 153 Y N 1.831 122.090 120.300 -0.068 0.000 2.841 153 Y HA 0.508 5.057 4.550 -0.001 0.000 0.329 153 Y C -2.105 173.818 175.900 0.039 0.000 1.062 153 Y CA -2.458 55.636 58.100 -0.011 0.000 1.281 153 Y CB 1.123 39.558 38.460 -0.043 0.000 1.147 153 Y HN 0.032 nan 8.280 nan 0.000 0.521 154 P HA 0.043 nan 4.420 nan 0.000 0.272 154 P C -0.538 176.868 177.300 0.176 0.000 1.223 154 P CA -0.020 63.174 63.100 0.157 0.000 0.784 154 P CB 0.720 32.540 31.700 0.200 0.000 0.923 155 F N 0.863 120.925 119.950 0.187 0.000 2.408 155 F HA 0.299 4.826 4.527 -0.001 0.000 0.325 155 F C 0.695 176.284 175.800 -0.353 0.000 1.082 155 F CA -0.917 57.030 58.000 -0.089 0.000 1.032 155 F CB 0.262 39.137 39.000 -0.209 0.000 1.259 155 F HN 0.267 nan 8.300 nan 0.000 0.503 156 D N -0.253 119.989 120.400 -0.263 0.000 2.344 156 D HA 0.457 5.096 4.640 -0.001 0.000 0.239 156 D C 0.667 176.438 176.300 -0.883 0.000 1.064 156 D CA -0.621 52.983 54.000 -0.660 0.000 0.829 156 D CB 0.929 41.623 40.800 -0.176 0.000 1.129 156 D HN 0.714 nan 8.370 nan 0.000 0.506 157 G N 2.411 110.246 108.800 -1.608 0.000 2.728 157 G HA2 -0.318 3.641 3.960 -0.001 0.000 1.023 157 G HA3 -0.318 3.641 3.960 -0.001 0.000 1.023 157 G C 0.269 174.945 174.900 -0.372 0.000 1.226 157 G CA 0.457 45.136 45.100 -0.703 0.000 0.841 157 G HN 0.902 nan 8.290 nan 0.000 0.820 158 K N 0.235 120.505 120.400 -0.216 0.000 2.380 158 K HA 0.184 4.503 4.320 -0.001 0.000 0.267 158 K C 0.421 176.873 176.600 -0.247 0.000 0.990 158 K CA 0.291 56.422 56.287 -0.260 0.000 0.946 158 K CB 0.129 32.431 32.500 -0.329 0.000 0.937 158 K HN 0.673 nan 8.250 nan 0.000 0.491 159 D N 0.561 120.826 120.400 -0.226 0.000 3.841 159 D HA -0.232 4.408 4.640 -0.001 0.000 0.276 159 D C 0.721 176.900 176.300 -0.201 0.000 2.088 159 D CA 1.789 55.695 54.000 -0.157 0.000 1.152 159 D CB -1.227 39.493 40.800 -0.133 0.000 0.944 159 D HN 1.007 nan 8.370 nan 0.000 1.144 160 G N -0.783 107.925 108.800 -0.155 0.000 2.536 160 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.280 160 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.280 160 G C 0.131 174.950 174.900 -0.135 0.000 1.152 160 G CA 0.363 45.410 45.100 -0.089 0.000 0.970 160 G HN 0.798 nan 8.290 nan 0.000 0.549 161 L N 1.687 122.873 121.223 -0.063 0.000 2.455 161 L HA 0.292 4.631 4.340 -0.001 0.000 0.272 161 L C 1.822 178.468 176.870 -0.374 0.000 1.174 161 L CA -0.350 54.436 54.840 -0.090 0.000 0.869 161 L CB 0.477 42.573 42.059 0.061 0.000 1.130 161 L HN 0.486 nan 8.230 nan 0.000 0.474 162 L N 2.842 123.829 121.223 -0.393 0.000 2.298 162 L HA 0.314 4.654 4.340 -0.001 0.000 0.209 162 L C 0.878 177.490 176.870 -0.429 0.000 1.084 162 L CA 0.567 55.127 54.840 -0.467 0.000 0.816 162 L CB 0.034 41.810 42.059 -0.471 0.000 0.967 162 L HN 0.883 nan 8.230 nan 0.000 0.460 163 A N -1.105 121.444 122.820 -0.452 0.000 2.428 163 A HA 0.578 4.897 4.320 -0.001 0.000 0.304 163 A C -1.535 175.921 177.584 -0.214 0.000 1.085 163 A CA -0.442 51.310 52.037 -0.475 0.000 0.605 163 A CB 0.932 19.640 19.000 -0.487 0.000 1.393 163 A HN 0.382 nan 8.150 nan 0.000 0.541 164 H N -2.246 116.703 119.070 -0.203 0.000 3.005 164 H HA 0.729 5.285 4.556 -0.001 0.000 0.311 164 H C -1.011 174.000 175.328 -0.528 0.000 1.366 164 H CA -0.602 55.255 56.048 -0.318 0.000 1.210 164 H CB 0.923 30.544 29.762 -0.233 0.000 1.894 164 H HN 2.128 nan 8.280 nan 0.000 0.520 165 A N 1.725 124.262 122.820 -0.472 0.000 2.547 165 A HA 0.551 4.870 4.320 -0.001 0.000 0.297 165 A C -1.816 175.403 177.584 -0.608 0.000 1.056 165 A CA -0.770 50.959 52.037 -0.512 0.000 0.688 165 A CB 1.299 20.162 19.000 -0.228 0.000 1.282 165 A HN 0.376 nan 8.150 nan 0.000 0.400 166 F N 1.385 121.212 119.950 -0.205 0.000 2.389 166 F HA 0.586 5.112 4.527 -0.001 0.000 0.337 166 F C 1.176 176.899 175.800 -0.128 0.000 1.112 166 F CA 0.400 58.299 58.000 -0.169 0.000 1.192 166 F CB 1.203 40.133 39.000 -0.117 0.000 1.185 166 F HN 0.761 nan 8.300 nan 0.000 0.552 167 A N 3.074 125.907 122.820 0.021 0.000 2.313 167 A HA 0.493 4.813 4.320 -0.001 0.000 0.261 167 A C -2.422 175.047 177.584 -0.192 0.000 1.090 167 A CA -1.625 50.312 52.037 -0.167 0.000 0.807 167 A CB -0.488 18.218 19.000 -0.490 0.000 1.055 167 A HN 0.500 nan 8.150 nan 0.000 0.492 168 P HA 0.262 nan 4.420 nan 0.000 0.263 168 P C 0.546 177.483 177.300 -0.604 0.000 1.168 168 P CA 1.642 64.112 63.100 -1.049 0.000 0.759 168 P CB 0.380 31.073 31.700 -1.678 0.000 0.782 169 G N 1.413 109.931 108.800 -0.470 0.000 2.356 169 G HA2 0.286 4.245 3.960 -0.001 0.000 0.281 169 G HA3 0.286 4.245 3.960 -0.001 0.000 0.281 169 G C -1.277 173.620 174.900 -0.005 0.000 1.246 169 G CA -0.521 44.462 45.100 -0.195 0.000 0.889 169 G HN 0.354 nan 8.290 nan 0.000 0.486 170 T N 0.773 115.327 114.554 0.000 0.000 2.909 170 T HA 0.511 4.860 4.350 -0.001 0.000 0.289 170 T C 1.616 176.358 174.700 0.069 0.000 1.005 170 T CA 1.333 63.470 62.100 0.061 0.000 1.084 170 T CB 0.832 69.728 68.868 0.048 0.000 0.975 170 T HN 2.239 nan 8.240 nan 0.000 0.509 171 G N 1.959 110.813 108.800 0.092 0.000 2.879 171 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.353 171 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.353 171 G C 1.328 176.284 174.900 0.093 0.000 1.182 171 G CA 0.758 45.910 45.100 0.086 0.000 0.957 171 G HN 0.661 nan 8.290 nan 0.000 0.587 172 V N 3.333 123.268 119.914 0.034 0.000 2.867 172 V HA 0.186 4.305 4.120 -0.001 0.000 0.260 172 V C 2.274 178.382 176.094 0.024 0.000 1.099 172 V CA 1.599 63.885 62.300 -0.024 0.000 1.122 172 V CB -0.861 30.794 31.823 -0.281 0.000 0.708 172 V HN 1.169 nan 8.190 nan 0.000 0.490 173 G N -0.334 108.486 108.800 0.033 0.000 2.255 173 G HA2 0.384 4.344 3.960 -0.001 0.000 0.267 173 G HA3 0.384 4.344 3.960 -0.001 0.000 0.267 173 G C 1.100 176.122 174.900 0.204 0.000 1.177 173 G CA 0.501 45.634 45.100 0.056 0.000 1.027 173 G HN 0.962 nan 8.290 nan 0.000 0.437 174 G N 2.513 111.454 108.800 0.236 0.000 2.195 174 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.224 174 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.224 174 G C 0.198 175.263 174.900 0.275 0.000 0.990 174 G CA 0.085 45.382 45.100 0.328 0.000 0.639 174 G HN 0.727 nan 8.290 nan 0.000 0.514 175 D N 1.010 121.569 120.400 0.266 0.000 2.423 175 D HA 0.511 5.150 4.640 -0.001 0.000 0.238 175 D C 0.238 176.548 176.300 0.018 0.000 1.142 175 D CA 0.745 54.859 54.000 0.190 0.000 0.884 175 D CB 1.217 42.157 40.800 0.233 0.000 1.199 175 D HN 0.125 nan 8.370 nan 0.000 0.438 176 S N 0.958 116.674 115.700 0.026 0.000 2.596 176 S HA 0.284 4.753 4.470 -0.001 0.000 0.318 176 S C -0.694 173.829 174.600 -0.128 0.000 1.097 176 S CA -0.639 57.463 58.200 -0.164 0.000 1.080 176 S CB 0.603 63.740 63.200 -0.104 0.000 0.991 176 S HN 0.316 nan 8.310 nan 0.000 0.471 177 H N 2.128 121.016 119.070 -0.304 0.000 2.504 177 H HA 0.406 4.961 4.556 -0.001 0.000 0.322 177 H C -1.039 173.981 175.328 -0.513 0.000 1.055 177 H CA -0.650 55.261 56.048 -0.228 0.000 1.231 177 H CB 0.827 30.588 29.762 -0.002 0.000 1.417 177 H HN 0.402 nan 8.280 nan 0.000 0.472 178 F N 0.981 120.765 119.950 -0.278 0.000 2.425 178 F HA 0.098 4.624 4.527 -0.001 0.000 0.331 178 F C 0.710 176.441 175.800 -0.115 0.000 1.085 178 F CA -0.977 56.785 58.000 -0.397 0.000 1.028 178 F CB 0.925 39.328 39.000 -0.994 0.000 1.177 178 F HN 0.494 nan 8.300 nan 0.000 0.487 179 D N 1.696 122.102 120.400 0.010 0.000 2.371 179 D HA -0.015 4.625 4.640 -0.001 0.000 0.256 179 D C 0.562 177.097 176.300 0.392 0.000 1.193 179 D CA 0.327 54.237 54.000 -0.151 0.000 0.881 179 D CB 0.847 41.209 40.800 -0.730 0.000 1.143 179 D HN 0.520 nan 8.370 nan 0.000 0.473 180 D N 2.034 122.655 120.400 0.367 0.000 2.317 180 D HA -0.092 4.547 4.640 -0.001 0.000 0.211 180 D C 0.586 176.990 176.300 0.173 0.000 0.966 180 D CA 0.501 54.744 54.000 0.405 0.000 0.876 180 D CB 0.354 41.358 40.800 0.340 0.000 0.927 180 D HN 0.365 nan 8.370 nan 0.000 0.519 181 D N 0.294 120.718 120.400 0.039 0.000 2.349 181 D HA -0.011 4.628 4.640 -0.001 0.000 0.224 181 D C 0.582 176.770 176.300 -0.187 0.000 1.029 181 D CA 0.345 54.316 54.000 -0.049 0.000 0.879 181 D CB 0.220 40.982 40.800 -0.064 0.000 0.906 181 D HN 0.237 nan 8.370 nan 0.000 0.528 182 E N 0.278 120.291 120.200 -0.312 0.000 2.351 182 E HA 0.183 4.532 4.350 -0.001 0.000 0.255 182 E C -0.010 176.254 176.600 -0.561 0.000 1.188 182 E CA -0.727 55.340 56.400 -0.557 0.000 0.940 182 E CB 1.003 30.077 29.700 -1.043 0.000 1.094 182 E HN -0.035 nan 8.360 nan 0.000 0.474 183 L N 1.750 122.621 121.223 -0.586 0.000 2.297 183 L HA 0.306 4.646 4.340 -0.001 0.000 0.277 183 L C -1.423 175.200 176.870 -0.412 0.000 1.040 183 L CA -0.529 54.069 54.840 -0.403 0.000 0.867 183 L CB -0.089 41.768 42.059 -0.337 0.000 1.244 183 L HN 0.343 nan 8.230 nan 0.000 0.433 184 W N 4.524 125.797 121.300 -0.046 0.000 2.238 184 W HA 0.554 5.213 4.660 -0.001 0.000 0.321 184 W C 0.896 177.379 176.519 -0.059 0.000 1.293 184 W CA 0.244 57.571 57.345 -0.030 0.000 1.204 184 W CB 1.226 30.698 29.460 0.019 0.000 1.167 184 W HN 0.712 nan 8.180 nan 0.000 0.553 185 T N -0.539 114.139 114.554 0.206 0.000 2.754 185 T HA 0.370 4.719 4.350 -0.001 0.000 0.296 185 T C -0.143 174.605 174.700 0.079 0.000 1.205 185 T CA -0.939 61.208 62.100 0.078 0.000 1.009 185 T CB 0.848 69.699 68.868 -0.028 0.000 1.368 185 T HN 0.372 nan 8.240 nan 0.000 0.509 186 L N 1.047 122.273 121.223 0.006 0.000 2.645 186 L HA 0.353 4.692 4.340 -0.001 0.000 0.235 186 L C 1.936 178.815 176.870 0.016 0.000 1.150 186 L CA 0.896 55.743 54.840 0.012 0.000 0.911 186 L CB -1.019 40.993 42.059 -0.077 0.000 1.077 186 L HN 1.214 nan 8.230 nan 0.000 0.438 187 G N 0.480 109.241 108.800 -0.065 0.000 2.436 187 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.204 187 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.204 187 G C 0.328 174.888 174.900 -0.567 0.000 1.026 187 G CA -0.364 44.540 45.100 -0.326 0.000 0.658 187 G HN 0.481 nan 8.290 nan 0.000 0.499 188 E N 1.252 121.239 120.200 -0.353 0.000 2.989 188 E HA 0.512 4.861 4.350 -0.001 0.000 0.224 188 E C 0.716 177.243 176.600 -0.121 0.000 1.175 188 E CA -0.106 56.142 56.400 -0.253 0.000 1.300 188 E CB 0.732 30.350 29.700 -0.137 0.000 1.422 188 E HN 1.607 nan 8.360 nan 0.000 0.439 189 G N 1.719 110.434 108.800 -0.142 0.000 2.756 189 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.678 189 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.678 189 G C -0.406 174.463 174.900 -0.052 0.000 1.349 189 G CA -0.812 44.229 45.100 -0.097 0.000 0.847 189 G HN 0.476 nan 8.290 nan 0.000 0.548 190 Q N -1.100 118.665 119.800 -0.058 0.000 2.369 190 Q HA 0.387 4.727 4.340 -0.001 0.000 0.295 190 Q C 0.023 176.110 176.000 0.146 0.000 1.075 190 Q CA 0.170 55.969 55.803 -0.008 0.000 0.941 190 Q CB 0.509 29.189 28.738 -0.097 0.000 1.260 190 Q HN 0.859 nan 8.270 nan 0.000 0.417 191 V N 4.092 124.096 119.914 0.152 0.000 2.680 191 V HA 0.585 4.704 4.120 -0.001 0.000 0.309 191 V C -0.881 175.375 176.094 0.270 0.000 1.052 191 V CA -0.721 61.704 62.300 0.208 0.000 0.908 191 V CB 2.194 34.071 31.823 0.090 0.000 1.001 191 V HN 0.639 nan 8.190 nan 0.000 0.431 192 V N 4.205 124.317 119.914 0.329 0.000 2.610 192 V HA 0.439 4.559 4.120 -0.001 0.000 0.298 192 V C -0.245 175.962 176.094 0.188 0.000 1.067 192 V CA -0.751 61.700 62.300 0.252 0.000 0.894 192 V CB 1.882 33.877 31.823 0.285 0.000 1.015 192 V HN 0.863 nan 8.190 nan 0.000 0.432 193 R N 3.503 124.057 120.500 0.090 0.000 2.242 193 R HA 0.541 4.880 4.340 -0.001 0.000 0.334 193 R C -0.335 175.934 176.300 -0.051 0.000 1.071 193 R CA -0.212 55.831 56.100 -0.096 0.000 0.922 193 R CB 1.091 31.269 30.300 -0.204 0.000 1.023 193 R HN 0.586 nan 8.270 nan 0.000 0.458 194 V N 4.878 124.751 119.914 -0.068 0.000 3.032 194 V HA -0.085 4.034 4.120 -0.001 0.000 0.307 194 V C 1.137 177.190 176.094 -0.067 0.000 1.097 194 V CA 0.642 62.921 62.300 -0.034 0.000 1.191 194 V CB 1.335 33.108 31.823 -0.084 0.000 0.964 194 V HN 0.840 nan 8.190 nan 0.000 0.494 195 K N 1.881 122.274 120.400 -0.012 0.000 2.286 195 K HA 0.215 4.534 4.320 -0.001 0.000 0.203 195 K C -0.143 176.104 176.600 -0.589 0.000 1.078 195 K CA 0.940 57.065 56.287 -0.270 0.000 0.957 195 K CB 0.356 32.795 32.500 -0.101 0.000 1.018 195 K HN 0.634 nan 8.250 nan 0.000 0.484 196 Y N -1.021 119.318 120.300 0.064 0.000 3.048 196 Y HA 0.478 5.027 4.550 -0.001 0.000 0.305 196 Y C 0.955 176.789 175.900 -0.110 0.000 1.538 196 Y CA -0.247 57.850 58.100 -0.004 0.000 1.082 196 Y CB 0.522 38.962 38.460 -0.033 0.000 1.388 196 Y HN 0.345 nan 8.280 nan 0.000 0.557 197 G N 0.951 109.792 108.800 0.069 0.000 2.568 197 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.222 197 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.222 197 G C -0.089 174.660 174.900 -0.253 0.000 1.321 197 G CA 0.023 44.947 45.100 -0.294 0.000 0.893 197 G HN 1.088 nan 8.290 nan 0.000 0.569 198 N N 0.450 118.944 118.700 -0.344 0.000 2.398 198 N HA 0.489 5.229 4.740 -0.001 0.000 0.188 198 N C 0.878 176.311 175.510 -0.129 0.000 1.122 198 N CA 1.543 54.508 53.050 -0.143 0.000 0.866 198 N CB 0.532 38.999 38.487 -0.035 0.000 0.970 198 N HN 1.709 nan 8.380 nan 0.000 0.462 199 A N 0.169 122.878 122.820 -0.186 0.000 2.806 199 A HA 0.131 4.450 4.320 -0.001 0.000 0.266 199 A C 0.985 178.483 177.584 -0.144 0.000 0.926 199 A CA -0.308 51.651 52.037 -0.130 0.000 1.068 199 A CB -0.229 18.710 19.000 -0.102 0.000 1.189 199 A HN 0.208 nan 8.150 nan 0.000 0.481 200 D N 0.906 121.221 120.400 -0.143 0.000 2.220 200 D HA -0.223 4.416 4.640 -0.001 0.000 0.198 200 D C 1.453 177.653 176.300 -0.167 0.000 1.001 200 D CA 2.190 56.094 54.000 -0.161 0.000 0.875 200 D CB -0.001 40.712 40.800 -0.144 0.000 0.921 200 D HN 0.444 nan 8.370 nan 0.000 0.454 201 G N -0.530 108.184 108.800 -0.144 0.000 2.603 201 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.214 201 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.214 201 G C 0.815 175.591 174.900 -0.207 0.000 1.140 201 G CA -0.182 44.820 45.100 -0.163 0.000 0.800 201 G HN 0.198 nan 8.290 nan 0.000 0.533 202 E N -0.545 119.557 120.200 -0.162 0.000 2.391 202 E HA 0.382 4.731 4.350 -0.001 0.000 0.255 202 E C -0.890 175.602 176.600 -0.179 0.000 1.187 202 E CA -0.325 55.987 56.400 -0.146 0.000 0.941 202 E CB 0.291 29.956 29.700 -0.059 0.000 1.010 202 E HN 0.268 nan 8.360 nan 0.000 0.458 203 Y N -0.267 119.997 120.300 -0.059 0.000 2.310 203 Y HA 0.176 4.726 4.550 -0.001 0.000 0.326 203 Y C 0.331 176.149 175.900 -0.137 0.000 1.151 203 Y CA -0.710 57.351 58.100 -0.065 0.000 1.195 203 Y CB 0.849 39.289 38.460 -0.034 0.000 1.210 203 Y HN 0.374 nan 8.280 nan 0.000 0.483 204 c N 3.608 122.187 118.600 -0.035 0.000 2.611 204 c HA 0.028 4.598 4.570 -0.001 0.000 0.416 204 c C 0.660 174.499 174.090 -0.418 0.000 1.366 204 c CA -0.448 55.651 56.329 -0.383 0.000 1.761 204 c CB -0.931 41.155 42.510 -0.707 0.000 2.619 204 c HN 0.626 nan 8.230 nan 0.000 0.606 205 K N 3.879 124.053 120.400 -0.376 0.000 2.244 205 K HA 0.415 4.734 4.320 -0.001 0.000 0.263 205 K C -1.143 175.422 176.600 -0.058 0.000 1.103 205 K CA 0.091 56.294 56.287 -0.140 0.000 0.966 205 K CB -0.356 32.153 32.500 0.015 0.000 1.429 205 K HN 0.390 nan 8.250 nan 0.000 0.434 206 F N 5.176 125.264 119.950 0.230 0.000 2.404 206 F HA 0.441 4.967 4.527 -0.001 0.000 0.339 206 F C -1.397 174.506 175.800 0.171 0.000 1.105 206 F CA -2.233 55.898 58.000 0.219 0.000 1.087 206 F CB 0.710 39.791 39.000 0.134 0.000 1.143 206 F HN 0.489 nan 8.300 nan 0.000 0.491 207 P HA 0.448 nan 4.420 nan 0.000 0.279 207 P C -1.227 176.292 177.300 0.364 0.000 1.282 207 P CA -0.202 63.098 63.100 0.332 0.000 0.788 207 P CB 1.237 33.068 31.700 0.217 0.000 1.139 208 F N -2.522 117.502 119.950 0.123 0.000 2.668 208 F HA 0.614 5.140 4.527 -0.001 0.000 0.309 208 F C -1.882 173.817 175.800 -0.169 0.000 1.117 208 F CA -1.545 56.379 58.000 -0.126 0.000 0.951 208 F CB 0.759 39.725 39.000 -0.057 0.000 1.323 208 F HN 0.103 nan 8.300 nan 0.000 0.451 209 L N 3.633 124.727 121.223 -0.214 0.000 2.282 209 L HA 0.714 5.054 4.340 -0.001 0.000 0.288 209 L C -1.609 175.486 176.870 0.375 0.000 1.033 209 L CA -0.489 54.316 54.840 -0.059 0.000 0.807 209 L CB 1.222 43.124 42.059 -0.261 0.000 1.209 209 L HN 0.715 nan 8.230 nan 0.000 0.423 210 F N 5.336 125.440 119.950 0.257 0.000 2.588 210 F HA 0.372 4.898 4.527 -0.001 0.000 0.314 210 F C 0.459 176.432 175.800 0.288 0.000 1.134 210 F CA -0.876 57.320 58.000 0.327 0.000 0.961 210 F CB 1.142 40.345 39.000 0.338 0.000 1.239 210 F HN 0.618 nan 8.300 nan 0.000 0.448 211 N N 3.764 122.092 118.700 -0.620 0.000 2.708 211 N HA -0.198 4.542 4.740 -0.001 0.000 0.249 211 N C 0.791 176.192 175.510 -0.183 0.000 1.097 211 N CA 1.674 54.400 53.050 -0.539 0.000 0.710 211 N CB -1.015 36.992 38.487 -0.800 0.000 1.032 211 N HN 1.722 nan 8.380 nan 0.000 0.551 212 G N -0.336 108.422 108.800 -0.070 0.000 2.198 212 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.257 212 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.257 212 G C -0.200 174.675 174.900 -0.041 0.000 1.042 212 G CA 0.954 46.036 45.100 -0.030 0.000 0.791 212 G HN 0.722 nan 8.290 nan 0.000 0.502 213 K N 0.046 120.426 120.400 -0.034 0.000 2.535 213 K HA 0.381 4.700 4.320 -0.001 0.000 0.251 213 K C -0.454 176.014 176.600 -0.221 0.000 0.942 213 K CA -0.774 55.422 56.287 -0.152 0.000 0.798 213 K CB 1.385 33.742 32.500 -0.239 0.000 1.267 213 K HN 0.191 nan 8.250 nan 0.000 0.434 214 E N 2.745 122.784 120.200 -0.268 0.000 2.338 214 E HA 0.107 4.456 4.350 -0.001 0.000 0.272 214 E C -1.142 175.148 176.600 -0.516 0.000 1.029 214 E CA -0.112 56.131 56.400 -0.262 0.000 0.872 214 E CB 0.716 30.354 29.700 -0.103 0.000 1.015 214 E HN 0.336 nan 8.360 nan 0.000 0.417 215 Y N 1.641 121.633 120.300 -0.513 0.000 2.352 215 Y HA 0.222 4.771 4.550 -0.001 0.000 0.339 215 Y C 1.024 176.727 175.900 -0.329 0.000 0.992 215 Y CA -0.547 57.211 58.100 -0.570 0.000 1.100 215 Y CB 1.328 39.136 38.460 -1.088 0.000 1.192 215 Y HN 0.473 nan 8.280 nan 0.000 0.458 216 N N 0.730 119.364 118.700 -0.110 0.000 2.184 216 N HA 0.057 4.796 4.740 -0.001 0.000 0.206 216 N C -0.548 174.433 175.510 -0.881 0.000 1.151 216 N CA 0.167 53.116 53.050 -0.169 0.000 0.878 216 N CB 0.875 39.272 38.487 -0.150 0.000 1.014 216 N HN 0.564 nan 8.380 nan 0.000 0.512 217 S N -0.845 114.441 115.700 -0.690 0.000 2.607 217 S HA 0.386 4.856 4.470 -0.001 0.000 0.273 217 S C -0.120 174.446 174.600 -0.056 0.000 1.148 217 S CA -0.715 56.948 58.200 -0.894 0.000 0.833 217 S CB 1.241 64.192 63.200 -0.414 0.000 1.130 217 S HN 0.080 nan 8.310 nan 0.000 0.470 218 c N 1.834 120.537 118.600 0.171 0.000 2.641 218 c HA 0.605 5.174 4.570 -0.001 0.000 0.412 218 c C 1.138 175.244 174.090 0.027 0.000 1.312 218 c CA 0.355 56.812 56.329 0.214 0.000 1.838 218 c CB -0.198 42.433 42.510 0.202 0.000 2.682 218 c HN 0.964 nan 8.230 nan 0.000 0.627 219 T N 0.315 114.778 114.554 -0.151 0.000 2.864 219 T HA 0.407 4.757 4.350 -0.001 0.000 0.299 219 T C 0.037 174.654 174.700 -0.138 0.000 1.166 219 T CA -0.466 61.538 62.100 -0.160 0.000 1.007 219 T CB 1.350 70.054 68.868 -0.274 0.000 1.219 219 T HN 0.794 nan 8.240 nan 0.000 0.506 220 D N 0.892 121.324 120.400 0.052 0.000 2.395 220 D HA 0.120 4.759 4.640 -0.001 0.000 0.213 220 D C 0.721 177.179 176.300 0.262 0.000 1.110 220 D CA -0.184 53.945 54.000 0.214 0.000 0.835 220 D CB -0.041 40.872 40.800 0.189 0.000 0.965 220 D HN 0.409 nan 8.370 nan 0.000 0.505 221 T N -0.538 114.142 114.554 0.210 0.000 2.940 221 T HA 0.374 4.723 4.350 -0.001 0.000 0.309 221 T C 1.310 176.258 174.700 0.413 0.000 1.056 221 T CA 1.696 63.968 62.100 0.287 0.000 1.137 221 T CB 0.516 69.555 68.868 0.285 0.000 0.976 221 T HN 0.511 nan 8.240 nan 0.000 0.547 222 G N 5.254 114.258 108.800 0.338 0.000 4.677 222 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.215 222 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.215 222 G C 0.271 175.255 174.900 0.141 0.000 1.506 222 G CA -0.044 45.196 45.100 0.234 0.000 1.016 222 G HN 0.843 nan 8.290 nan 0.000 0.653 223 R N 1.195 121.789 120.500 0.157 0.000 2.873 223 R HA 0.394 4.734 4.340 -0.001 0.000 0.267 223 R C 1.110 177.500 176.300 0.149 0.000 1.009 223 R CA 1.056 57.245 56.100 0.148 0.000 1.152 223 R CB 0.116 30.575 30.300 0.264 0.000 1.047 223 R HN 0.522 nan 8.270 nan 0.000 0.470 224 S N -0.019 115.759 115.700 0.130 0.000 2.619 224 S HA -0.051 4.418 4.470 -0.001 0.000 0.238 224 S C 0.879 175.560 174.600 0.135 0.000 1.068 224 S CA 0.243 58.512 58.200 0.115 0.000 0.926 224 S CB 0.231 63.478 63.200 0.078 0.000 0.864 224 S HN 0.688 nan 8.310 nan 0.000 0.493 225 D N 1.749 122.253 120.400 0.173 0.000 2.269 225 D HA 0.198 4.837 4.640 -0.001 0.000 0.208 225 D C 1.481 177.949 176.300 0.278 0.000 0.963 225 D CA 1.179 55.315 54.000 0.227 0.000 0.864 225 D CB -0.630 40.327 40.800 0.262 0.000 0.936 225 D HN 0.496 nan 8.370 nan 0.000 0.505 226 G N -1.228 107.746 108.800 0.289 0.000 2.192 226 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.193 226 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.193 226 G C 0.014 175.040 174.900 0.210 0.000 0.999 226 G CA -0.309 44.908 45.100 0.195 0.000 0.659 226 G HN 0.220 nan 8.290 nan 0.000 0.503 227 F N 0.017 120.083 119.950 0.193 0.000 2.480 227 F HA 0.645 5.171 4.527 -0.001 0.000 0.319 227 F C 0.790 176.803 175.800 0.356 0.000 1.230 227 F CA -0.383 57.791 58.000 0.289 0.000 1.285 227 F CB 0.521 39.735 39.000 0.357 0.000 1.208 227 F HN -0.053 nan 8.300 nan 0.000 0.579 228 L N 2.853 124.426 121.223 0.583 0.000 2.313 228 L HA 0.337 4.677 4.340 -0.001 0.000 0.283 228 L C -0.738 176.439 176.870 0.512 0.000 1.013 228 L CA -0.932 54.153 54.840 0.409 0.000 0.816 228 L CB 0.768 42.969 42.059 0.237 0.000 1.236 228 L HN 0.564 nan 8.230 nan 0.000 0.419 229 W N 4.135 125.494 121.300 0.098 0.000 2.950 229 W HA 0.742 5.402 4.660 -0.001 0.000 0.340 229 W C -1.243 175.185 176.519 -0.152 0.000 1.139 229 W CA -1.400 55.857 57.345 -0.146 0.000 1.188 229 W CB 1.232 30.445 29.460 -0.411 0.000 1.426 229 W HN 0.757 nan 8.180 nan 0.000 0.531 230 c N 0.994 119.460 118.600 -0.225 0.000 2.898 230 c HA 0.756 5.325 4.570 -0.001 0.000 0.304 230 c C 0.423 174.088 174.090 -0.709 0.000 1.237 230 c CA -0.644 55.279 56.329 -0.677 0.000 1.529 230 c CB 1.146 43.456 42.510 -0.334 0.000 2.021 230 c HN 0.865 nan 8.230 nan 0.000 0.474 231 S N 0.907 115.637 115.700 -1.616 0.000 2.584 231 S HA 0.380 4.850 4.470 -0.001 0.000 0.273 231 S C 0.553 174.859 174.600 -0.489 0.000 1.311 231 S CA 0.229 57.938 58.200 -0.819 0.000 1.034 231 S CB 1.024 63.711 63.200 -0.856 0.000 0.939 231 S HN 0.947 nan 8.310 nan 0.000 0.513 232 T N 2.556 117.034 114.554 -0.126 0.000 3.144 232 T HA 0.297 4.646 4.350 -0.001 0.000 0.249 232 T C 0.280 174.974 174.700 -0.010 0.000 1.089 232 T CA 0.668 62.718 62.100 -0.083 0.000 0.989 232 T CB -0.751 68.094 68.868 -0.039 0.000 0.992 232 T HN 0.974 nan 8.240 nan 0.000 0.540 233 T N -3.088 111.485 114.554 0.032 0.000 2.711 233 T HA 0.348 4.697 4.350 -0.001 0.000 0.302 233 T C 0.303 175.121 174.700 0.197 0.000 1.373 233 T CA -0.803 61.364 62.100 0.113 0.000 1.000 233 T CB 0.826 69.764 68.868 0.116 0.000 1.483 233 T HN -0.137 nan 8.240 nan 0.000 0.499 234 Y N 1.695 122.080 120.300 0.140 0.000 2.089 234 Y HA 0.164 4.714 4.550 -0.001 0.000 0.282 234 Y C 1.202 177.256 175.900 0.256 0.000 1.139 234 Y CA 1.777 59.994 58.100 0.194 0.000 1.123 234 Y CB -0.318 38.217 38.460 0.125 0.000 0.980 234 Y HN 0.771 nan 8.280 nan 0.000 0.493 235 N N 0.571 119.420 118.700 0.248 0.000 2.469 235 N HA 0.045 4.784 4.740 -0.001 0.000 0.239 235 N C 0.296 175.932 175.510 0.210 0.000 1.053 235 N CA -0.236 52.928 53.050 0.189 0.000 0.937 235 N CB 0.053 38.671 38.487 0.218 0.000 1.163 235 N HN 0.264 nan 8.380 nan 0.000 0.509 236 F N 2.921 122.939 119.950 0.113 0.000 2.128 236 F HA -0.044 4.483 4.527 -0.001 0.000 0.295 236 F C 2.154 178.017 175.800 0.104 0.000 1.100 236 F CA 1.350 59.421 58.000 0.118 0.000 1.260 236 F CB -0.059 39.069 39.000 0.213 0.000 1.009 236 F HN 0.584 nan 8.300 nan 0.000 0.476 237 E N -0.155 120.135 120.200 0.151 0.000 2.273 237 E HA -0.301 4.048 4.350 -0.001 0.000 0.198 237 E C 1.904 178.474 176.600 -0.050 0.000 1.002 237 E CA 1.426 57.846 56.400 0.034 0.000 0.828 237 E CB 0.008 29.777 29.700 0.114 0.000 0.747 237 E HN 0.271 nan 8.360 nan 0.000 0.491 238 K N 0.297 120.683 120.400 -0.023 0.000 2.225 238 K HA -0.002 4.317 4.320 -0.001 0.000 0.204 238 K C 1.445 178.007 176.600 -0.064 0.000 1.047 238 K CA 1.439 57.711 56.287 -0.026 0.000 0.970 238 K CB 0.033 32.549 32.500 0.027 0.000 0.939 238 K HN 0.003 nan 8.250 nan 0.000 0.472 239 D N -0.171 120.200 120.400 -0.049 0.000 2.091 239 D HA 0.058 4.697 4.640 -0.001 0.000 0.199 239 D C 1.020 177.232 176.300 -0.147 0.000 0.980 239 D CA 1.768 55.736 54.000 -0.054 0.000 0.831 239 D CB -0.302 40.509 40.800 0.019 0.000 0.987 239 D HN 0.482 nan 8.370 nan 0.000 0.460 240 G N 0.555 109.155 108.800 -0.332 0.000 2.143 240 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.249 240 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.249 240 G C 0.049 174.870 174.900 -0.132 0.000 0.981 240 G CA 0.268 45.028 45.100 -0.566 0.000 0.665 240 G HN 0.332 nan 8.290 nan 0.000 0.528 241 K N -0.210 120.250 120.400 0.099 0.000 2.159 241 K HA 0.744 5.063 4.320 -0.001 0.000 0.266 241 K C -0.123 176.719 176.600 0.404 0.000 0.975 241 K CA -0.757 55.665 56.287 0.226 0.000 0.865 241 K CB 1.286 33.834 32.500 0.080 0.000 1.087 241 K HN 0.638 nan 8.250 nan 0.000 0.446 242 Y N -1.504 118.833 120.300 0.061 0.000 2.818 242 Y HA 0.747 5.296 4.550 -0.001 0.000 0.341 242 Y C -0.711 175.140 175.900 -0.082 0.000 1.283 242 Y CA -1.386 56.702 58.100 -0.019 0.000 1.075 242 Y CB 0.815 39.280 38.460 0.007 0.000 1.370 242 Y HN 0.627 nan 8.280 nan 0.000 0.448 243 G N -0.039 108.545 108.800 -0.361 0.000 2.608 243 G HA2 0.551 4.510 3.960 -0.001 0.000 0.291 243 G HA3 0.551 4.510 3.960 -0.001 0.000 0.291 243 G C -2.405 172.381 174.900 -0.190 0.000 1.425 243 G CA -1.093 43.759 45.100 -0.414 0.000 0.787 243 G HN 0.528 nan 8.290 nan 0.000 0.484 244 F N -0.243 119.791 119.950 0.140 0.000 2.377 244 F HA 0.492 5.018 4.527 -0.001 0.000 0.328 244 F C 0.772 176.801 175.800 0.382 0.000 1.094 244 F CA -0.378 57.832 58.000 0.349 0.000 1.093 244 F CB 1.582 40.831 39.000 0.415 0.000 1.214 244 F HN 0.321 nan 8.300 nan 0.000 0.518 245 c N 4.057 123.002 118.600 0.574 0.000 2.285 245 c HA 0.374 4.943 4.570 -0.001 0.000 0.335 245 c C -2.134 172.154 174.090 0.330 0.000 1.267 245 c CA -1.611 54.947 56.329 0.382 0.000 1.762 245 c CB 0.196 42.865 42.510 0.264 0.000 2.365 245 c HN 0.456 nan 8.230 nan 0.000 0.527 246 P HA 0.014 nan 4.420 nan 0.000 0.263 246 P C -0.323 176.850 177.300 -0.211 0.000 1.175 246 P CA 1.008 63.959 63.100 -0.248 0.000 0.761 246 P CB 0.173 31.828 31.700 -0.076 0.000 0.794 247 H N 2.531 121.255 119.070 -0.576 0.000 3.174 247 H HA -0.008 4.548 4.556 -0.001 0.000 0.307 247 H C 0.914 176.065 175.328 -0.296 0.000 1.116 247 H CA -0.259 55.606 56.048 -0.305 0.000 1.489 247 H CB 1.344 30.985 29.762 -0.201 0.000 2.104 247 H HN 0.475 nan 8.280 nan 0.000 0.414 248 E N 2.757 122.807 120.200 -0.250 0.000 2.219 248 E HA -0.140 4.209 4.350 -0.001 0.000 0.198 248 E C 1.376 177.994 176.600 0.031 0.000 0.998 248 E CA 1.252 57.605 56.400 -0.079 0.000 0.818 248 E CB -0.211 29.502 29.700 0.021 0.000 0.741 248 E HN 0.471 nan 8.360 nan 0.000 0.477 249 A N 0.677 123.638 122.820 0.236 0.000 2.167 249 A HA 0.134 4.453 4.320 -0.001 0.000 0.214 249 A C 2.193 179.784 177.584 0.011 0.000 1.151 249 A CA 0.493 52.646 52.037 0.192 0.000 0.735 249 A CB -0.213 18.969 19.000 0.303 0.000 0.802 249 A HN 0.239 nan 8.150 nan 0.000 0.467 250 L N -2.421 118.776 121.223 -0.043 0.000 2.526 250 L HA 0.360 4.699 4.340 -0.001 0.000 0.210 250 L C 0.370 177.310 176.870 0.117 0.000 1.048 250 L CA 0.268 54.990 54.840 -0.196 0.000 0.852 250 L CB 0.338 42.196 42.059 -0.334 0.000 1.128 250 L HN 0.573 nan 8.230 nan 0.000 0.482 251 F N -2.691 117.292 119.950 0.054 0.000 2.926 251 F HA 0.627 5.153 4.527 -0.001 0.000 0.321 251 F C -0.916 174.933 175.800 0.081 0.000 1.168 251 F CA -0.994 57.063 58.000 0.096 0.000 0.890 251 F CB 0.874 39.989 39.000 0.192 0.000 1.357 251 F HN -0.251 nan 8.300 nan 0.000 0.468 252 T N -0.656 114.106 114.554 0.346 0.000 2.778 252 T HA 0.709 5.059 4.350 -0.001 0.000 0.293 252 T C -1.245 173.611 174.700 0.260 0.000 1.144 252 T CA -0.842 61.368 62.100 0.183 0.000 1.010 252 T CB 1.878 70.787 68.868 0.069 0.000 1.325 252 T HN 0.642 nan 8.240 nan 0.000 0.515 253 M N 1.033 120.740 119.600 0.178 0.000 2.456 253 M HA 0.647 5.126 4.480 -0.001 0.000 0.324 253 M C 0.969 177.355 176.300 0.143 0.000 1.124 253 M CA 0.338 55.734 55.300 0.160 0.000 0.959 253 M CB 0.849 33.512 32.600 0.105 0.000 1.692 253 M HN 1.241 nan 8.290 nan 0.000 0.444 254 G N 2.095 110.945 108.800 0.083 0.000 2.602 254 G HA2 0.089 4.048 3.960 -0.001 0.000 0.306 254 G HA3 0.089 4.048 3.960 -0.001 0.000 0.306 254 G C 0.598 175.468 174.900 -0.051 0.000 1.301 254 G CA 0.251 45.381 45.100 0.050 0.000 0.974 254 G HN 1.758 nan 8.290 nan 0.000 0.547 255 G N -0.872 107.885 108.800 -0.072 0.000 2.575 255 G HA2 0.045 4.004 3.960 -0.001 0.000 0.267 255 G HA3 0.045 4.004 3.960 -0.001 0.000 0.267 255 G C 0.505 175.097 174.900 -0.513 0.000 1.264 255 G CA 1.478 46.181 45.100 -0.662 0.000 0.935 255 G HN 2.546 nan 8.290 nan 0.000 0.568 256 N N -0.336 117.945 118.700 -0.698 0.000 2.238 256 N HA 0.557 5.296 4.740 -0.001 0.000 0.235 256 N C 1.222 176.607 175.510 -0.208 0.000 1.209 256 N CA 1.274 54.151 53.050 -0.289 0.000 0.879 256 N CB 0.628 39.029 38.487 -0.144 0.000 1.136 256 N HN 1.230 nan 8.380 nan 0.000 0.517 257 A N 0.667 123.339 122.820 -0.246 0.000 2.251 257 A HA 0.139 4.458 4.320 -0.001 0.000 0.209 257 A C 0.524 178.061 177.584 -0.079 0.000 1.187 257 A CA -0.059 51.897 52.037 -0.135 0.000 0.823 257 A CB -0.497 18.422 19.000 -0.134 0.000 0.846 257 A HN 0.361 nan 8.150 nan 0.000 0.486 258 E N -2.547 117.607 120.200 -0.077 0.000 2.586 258 E HA -0.287 4.062 4.350 -0.001 0.000 0.259 258 E C 0.966 177.549 176.600 -0.028 0.000 1.107 258 E CA 0.495 56.865 56.400 -0.050 0.000 0.754 258 E CB -1.945 27.725 29.700 -0.051 0.000 1.335 258 E HN 1.491 nan 8.360 nan 0.000 0.411 259 G N -0.676 108.129 108.800 0.009 0.000 2.241 259 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.244 259 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.244 259 G C 0.311 175.276 174.900 0.110 0.000 0.998 259 G CA 0.290 45.438 45.100 0.080 0.000 0.621 259 G HN 0.198 nan 8.290 nan 0.000 0.519 260 Q N 1.382 121.206 119.800 0.041 0.000 2.379 260 Q HA 0.204 4.543 4.340 -0.001 0.000 0.320 260 Q C -2.116 173.905 176.000 0.036 0.000 1.153 260 Q CA -0.186 55.638 55.803 0.035 0.000 0.993 260 Q CB 0.084 28.818 28.738 -0.007 0.000 1.265 260 Q HN 0.397 nan 8.270 nan 0.000 0.423 261 P HA 0.146 nan 4.420 nan 0.000 0.277 261 P C -0.372 176.846 177.300 -0.136 0.000 1.240 261 P CA -0.546 62.536 63.100 -0.029 0.000 0.798 261 P CB 0.614 32.297 31.700 -0.027 0.000 0.979 262 c N 2.136 120.596 118.600 -0.233 0.000 2.665 262 c HA 0.121 4.691 4.570 -0.001 0.000 0.416 262 c C 1.028 174.733 174.090 -0.641 0.000 1.305 262 c CA 0.548 56.603 56.329 -0.456 0.000 1.903 262 c CB -1.268 40.862 42.510 -0.633 0.000 2.704 262 c HN 0.484 nan 8.230 nan 0.000 0.629 263 K N 1.683 121.781 120.400 -0.504 0.000 2.235 263 K HA 0.604 4.923 4.320 -0.001 0.000 0.266 263 K C -1.390 175.051 176.600 -0.264 0.000 0.980 263 K CA -0.042 56.059 56.287 -0.310 0.000 0.849 263 K CB 0.312 32.782 32.500 -0.050 0.000 1.098 263 K HN 0.408 nan 8.250 nan 0.000 0.445 264 F N 4.636 124.660 119.950 0.123 0.000 2.493 264 F HA 0.460 4.986 4.527 -0.001 0.000 0.329 264 F C -1.783 174.051 175.800 0.057 0.000 1.126 264 F CA -2.406 55.649 58.000 0.093 0.000 0.937 264 F CB 1.138 40.171 39.000 0.055 0.000 1.146 264 F HN 0.502 nan 8.300 nan 0.000 0.442 265 P HA 0.555 nan 4.420 nan 0.000 0.281 265 P C -1.361 176.101 177.300 0.270 0.000 1.281 265 P CA -0.563 62.676 63.100 0.231 0.000 0.811 265 P CB 0.844 32.578 31.700 0.056 0.000 1.154 266 F N -1.869 118.230 119.950 0.249 0.000 2.539 266 F HA 0.636 5.162 4.527 -0.001 0.000 0.318 266 F C -0.306 175.667 175.800 0.289 0.000 1.135 266 F CA -1.657 56.475 58.000 0.221 0.000 0.915 266 F CB 1.359 40.466 39.000 0.180 0.000 1.176 266 F HN 0.154 nan 8.300 nan 0.000 0.440 267 R N 4.007 124.804 120.500 0.494 0.000 2.340 267 R HA 0.516 4.855 4.340 -0.001 0.000 0.300 267 R C -1.970 174.775 176.300 0.741 0.000 1.069 267 R CA -0.239 56.117 56.100 0.427 0.000 0.984 267 R CB 0.567 31.028 30.300 0.269 0.000 1.003 267 R HN 0.754 nan 8.270 nan 0.000 0.459 268 F N 5.315 125.586 119.950 0.534 0.000 2.771 268 F HA 0.255 4.781 4.527 -0.001 0.000 0.365 268 F C -1.014 175.042 175.800 0.428 0.000 1.169 268 F CA -0.656 57.709 58.000 0.607 0.000 1.093 268 F CB 0.902 40.366 39.000 0.772 0.000 1.363 268 F HN 0.707 nan 8.300 nan 0.000 0.496 269 Q N 4.213 124.039 119.800 0.044 0.000 2.464 269 Q HA -0.174 4.165 4.340 -0.001 0.000 0.304 269 Q C 1.041 177.002 176.000 -0.064 0.000 1.401 269 Q CA 1.262 56.974 55.803 -0.151 0.000 0.806 269 Q CB -1.640 26.772 28.738 -0.544 0.000 1.134 269 Q HN 1.592 nan 8.270 nan 0.000 0.411 270 G N -1.308 107.501 108.800 0.015 0.000 2.179 270 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.260 270 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.260 270 G C 0.181 175.061 174.900 -0.033 0.000 0.977 270 G CA 0.595 45.692 45.100 -0.006 0.000 0.641 270 G HN 0.444 nan 8.290 nan 0.000 0.533 271 T N 0.473 115.010 114.554 -0.028 0.000 2.893 271 T HA 0.621 4.970 4.350 -0.001 0.000 0.293 271 T C -0.325 174.245 174.700 -0.216 0.000 1.027 271 T CA -0.016 61.976 62.100 -0.180 0.000 0.988 271 T CB 1.873 70.553 68.868 -0.314 0.000 1.043 271 T HN 0.185 nan 8.240 nan 0.000 0.461 272 S N 2.236 117.738 115.700 -0.330 0.000 2.438 272 S HA 0.497 4.966 4.470 -0.001 0.000 0.316 272 S C -0.986 173.278 174.600 -0.559 0.000 1.084 272 S CA -0.579 57.441 58.200 -0.300 0.000 1.107 272 S CB 0.069 63.181 63.200 -0.148 0.000 0.981 272 S HN 0.491 nan 8.310 nan 0.000 0.466 273 Y N 1.570 121.486 120.300 -0.640 0.000 2.310 273 Y HA 0.263 4.813 4.550 -0.001 0.000 0.326 273 Y C 1.441 177.040 175.900 -0.501 0.000 1.151 273 Y CA -0.386 57.291 58.100 -0.704 0.000 1.195 273 Y CB 0.727 38.493 38.460 -1.157 0.000 1.210 273 Y HN 0.615 nan 8.280 nan 0.000 0.483 274 D N -0.214 120.020 120.400 -0.277 0.000 2.469 274 D HA 0.067 4.706 4.640 -0.001 0.000 0.213 274 D C -0.200 175.494 176.300 -1.011 0.000 1.135 274 D CA 0.372 54.112 54.000 -0.433 0.000 0.834 274 D CB 0.644 41.252 40.800 -0.320 0.000 1.009 274 D HN 0.549 nan 8.370 nan 0.000 0.507 275 S N -1.073 114.293 115.700 -0.557 0.000 2.705 275 S HA 0.423 4.892 4.470 -0.001 0.000 0.280 275 S C -0.197 174.417 174.600 0.023 0.000 1.174 275 S CA -0.738 57.185 58.200 -0.460 0.000 0.823 275 S CB 1.346 64.384 63.200 -0.270 0.000 1.162 275 S HN 0.091 nan 8.310 nan 0.000 0.487 276 c N 2.136 120.787 118.600 0.084 0.000 2.700 276 c HA 0.745 5.314 4.570 -0.001 0.000 0.397 276 c C 1.062 175.082 174.090 -0.117 0.000 1.301 276 c CA -0.204 56.124 56.329 -0.001 0.000 2.219 276 c CB -0.295 42.216 42.510 0.002 0.000 2.699 276 c HN 0.976 nan 8.230 nan 0.000 0.669 277 T N -1.076 113.260 114.554 -0.363 0.000 2.831 277 T HA 0.584 4.934 4.350 -0.001 0.000 0.287 277 T C 0.434 175.058 174.700 -0.126 0.000 1.070 277 T CA -0.210 61.750 62.100 -0.233 0.000 1.010 277 T CB 1.366 70.025 68.868 -0.350 0.000 1.264 277 T HN 0.691 nan 8.240 nan 0.000 0.532 278 T N -3.097 111.526 114.554 0.115 0.000 3.084 278 T HA 0.289 4.638 4.350 -0.001 0.000 0.270 278 T C 0.289 175.212 174.700 0.372 0.000 1.008 278 T CA -0.358 61.932 62.100 0.317 0.000 0.900 278 T CB -0.088 68.938 68.868 0.262 0.000 1.084 278 T HN 0.575 nan 8.240 nan 0.000 0.538 279 E N 1.726 122.116 120.200 0.316 0.000 2.585 279 E HA 0.369 4.718 4.350 -0.001 0.000 0.252 279 E C 1.449 178.366 176.600 0.527 0.000 0.981 279 E CA 1.515 58.149 56.400 0.390 0.000 0.943 279 E CB -0.560 29.367 29.700 0.378 0.000 0.923 279 E HN 0.498 nan 8.360 nan 0.000 0.486 280 G N 4.338 113.361 108.800 0.371 0.000 2.195 280 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.246 280 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.246 280 G C 0.120 175.100 174.900 0.133 0.000 0.984 280 G CA 0.234 45.490 45.100 0.261 0.000 0.633 280 G HN 0.533 nan 8.290 nan 0.000 0.525 281 R N -0.250 120.360 120.500 0.183 0.000 2.711 281 R HA 0.643 4.982 4.340 -0.001 0.000 0.284 281 R C 0.954 177.344 176.300 0.148 0.000 0.968 281 R CA 0.011 56.200 56.100 0.148 0.000 0.924 281 R CB 1.395 31.825 30.300 0.217 0.000 1.162 281 R HN 0.282 nan 8.270 nan 0.000 0.465 282 T N -3.798 110.824 114.554 0.113 0.000 3.003 282 T HA 0.007 4.356 4.350 -0.001 0.000 0.261 282 T C 0.478 175.220 174.700 0.069 0.000 1.003 282 T CA -0.141 62.017 62.100 0.098 0.000 0.917 282 T CB 0.015 68.934 68.868 0.086 0.000 1.084 282 T HN 0.586 nan 8.240 nan 0.000 0.522 283 D N 1.712 122.131 120.400 0.032 0.000 2.328 283 D HA 0.303 4.943 4.640 -0.001 0.000 0.226 283 D C 1.630 177.787 176.300 -0.238 0.000 1.066 283 D CA 0.320 54.247 54.000 -0.121 0.000 0.861 283 D CB -0.832 39.844 40.800 -0.206 0.000 0.912 283 D HN 0.477 nan 8.370 nan 0.000 0.521 284 G N 0.020 108.829 108.800 0.015 0.000 2.225 284 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.267 284 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.267 284 G C -0.639 174.405 174.900 0.239 0.000 1.024 284 G CA -0.095 45.103 45.100 0.163 0.000 0.784 284 G HN 0.326 nan 8.290 nan 0.000 0.507 285 Y N 0.849 121.320 120.300 0.285 0.000 2.367 285 Y HA 0.440 4.989 4.550 -0.001 0.000 0.342 285 Y C 1.403 177.515 175.900 0.353 0.000 0.979 285 Y CA -1.639 56.598 58.100 0.229 0.000 1.161 285 Y CB 0.730 39.276 38.460 0.144 0.000 1.155 285 Y HN 0.160 nan 8.280 nan 0.000 0.503 286 R N 4.573 125.335 120.500 0.436 0.000 2.522 286 R HA 0.041 4.380 4.340 -0.001 0.000 0.284 286 R C -0.190 176.357 176.300 0.413 0.000 1.032 286 R CA 0.226 56.513 56.100 0.312 0.000 1.049 286 R CB 0.524 30.921 30.300 0.162 0.000 0.956 286 R HN 0.810 nan 8.270 nan 0.000 0.422 287 W N 2.059 123.396 121.300 0.061 0.000 3.055 287 W HA 0.600 5.259 4.660 -0.001 0.000 0.340 287 W C -0.991 175.410 176.519 -0.197 0.000 1.180 287 W CA -1.291 55.953 57.345 -0.168 0.000 1.077 287 W CB 0.641 29.846 29.460 -0.426 0.000 1.479 287 W HN 0.750 nan 8.180 nan 0.000 0.593 288 c N -0.683 117.785 118.600 -0.219 0.000 3.253 288 c HA 0.719 5.288 4.570 -0.001 0.000 0.342 288 c C 0.266 173.934 174.090 -0.702 0.000 1.306 288 c CA -0.159 55.745 56.329 -0.708 0.000 1.207 288 c CB 1.081 43.480 42.510 -0.185 0.000 1.479 288 c HN 1.223 nan 8.230 nan 0.000 0.469 289 G N 0.521 108.392 108.800 -1.549 0.000 2.483 289 G HA2 0.483 4.442 3.960 -0.001 0.000 0.248 289 G HA3 0.483 4.442 3.960 -0.001 0.000 0.248 289 G C 0.439 175.170 174.900 -0.282 0.000 1.248 289 G CA 0.570 45.229 45.100 -0.735 0.000 0.838 289 G HN 1.228 nan 8.290 nan 0.000 0.566 290 T N -0.387 114.110 114.554 -0.096 0.000 3.040 290 T HA 0.305 4.655 4.350 -0.001 0.000 0.266 290 T C 0.759 175.443 174.700 -0.027 0.000 1.005 290 T CA 0.413 62.466 62.100 -0.079 0.000 0.906 290 T CB 0.052 68.887 68.868 -0.054 0.000 1.082 290 T HN 0.543 nan 8.240 nan 0.000 0.531 291 T N 0.703 115.271 114.554 0.024 0.000 2.901 291 T HA 0.317 4.666 4.350 -0.001 0.000 0.293 291 T C 0.509 175.282 174.700 0.121 0.000 1.084 291 T CA -0.587 61.548 62.100 0.058 0.000 1.008 291 T CB 1.873 70.777 68.868 0.060 0.000 1.170 291 T HN 0.308 nan 8.240 nan 0.000 0.509 292 E N 0.851 121.126 120.200 0.124 0.000 2.516 292 E HA 0.058 4.407 4.350 -0.001 0.000 0.199 292 E C 0.045 176.783 176.600 0.229 0.000 1.069 292 E CA 0.366 56.872 56.400 0.177 0.000 0.876 292 E CB 0.275 30.052 29.700 0.128 0.000 0.843 292 E HN 0.312 nan 8.360 nan 0.000 0.530 293 D N -0.112 120.419 120.400 0.218 0.000 2.429 293 D HA -0.020 4.619 4.640 -0.001 0.000 0.255 293 D C -0.371 176.076 176.300 0.245 0.000 1.257 293 D CA -0.722 53.420 54.000 0.237 0.000 0.890 293 D CB 0.075 40.961 40.800 0.145 0.000 1.267 293 D HN 0.088 nan 8.370 nan 0.000 0.521 294 Y N 2.988 123.448 120.300 0.266 0.000 2.181 294 Y HA -0.275 4.274 4.550 -0.001 0.000 0.284 294 Y C 1.351 177.359 175.900 0.181 0.000 1.179 294 Y CA 2.006 60.216 58.100 0.183 0.000 1.179 294 Y CB 0.251 38.823 38.460 0.186 0.000 0.973 294 Y HN 0.275 nan 8.280 nan 0.000 0.519 295 D N -0.216 120.203 120.400 0.032 0.000 2.084 295 D HA -0.176 4.464 4.640 -0.001 0.000 0.196 295 D C 2.302 178.530 176.300 -0.121 0.000 0.985 295 D CA 1.436 55.393 54.000 -0.072 0.000 0.826 295 D CB -0.413 40.475 40.800 0.147 0.000 0.978 295 D HN 0.389 nan 8.370 nan 0.000 0.456 296 R N 0.737 121.222 120.500 -0.025 0.000 2.088 296 R HA -0.132 4.207 4.340 -0.001 0.000 0.232 296 R C 1.368 177.635 176.300 -0.055 0.000 1.136 296 R CA 1.857 57.946 56.100 -0.019 0.000 0.926 296 R CB 0.024 30.337 30.300 0.023 0.000 0.837 296 R HN 0.100 nan 8.270 nan 0.000 0.429 297 D N 0.201 120.572 120.400 -0.048 0.000 2.289 297 D HA -0.031 4.608 4.640 -0.001 0.000 0.207 297 D C 0.029 176.274 176.300 -0.090 0.000 0.966 297 D CA 0.380 54.353 54.000 -0.043 0.000 0.868 297 D CB 0.091 40.892 40.800 0.001 0.000 0.943 297 D HN 0.194 nan 8.370 nan 0.000 0.514 298 K N 0.071 120.330 120.400 -0.234 0.000 3.148 298 K HA -0.205 4.114 4.320 -0.001 0.000 0.267 298 K C -0.326 176.276 176.600 0.004 0.000 0.996 298 K CA 0.442 56.523 56.287 -0.345 0.000 0.737 298 K CB -1.050 31.296 32.500 -0.257 0.000 1.308 298 K HN -0.007 nan 8.250 nan 0.000 0.470 299 K N 1.330 121.804 120.400 0.123 0.000 2.323 299 K HA 0.537 4.857 4.320 -0.001 0.000 0.259 299 K C -0.961 175.809 176.600 0.283 0.000 0.947 299 K CA -0.789 55.597 56.287 0.165 0.000 0.819 299 K CB 0.883 33.420 32.500 0.063 0.000 1.109 299 K HN 0.249 nan 8.250 nan 0.000 0.429 300 Y N -0.532 119.768 120.300 -0.000 0.000 2.656 300 Y HA 0.795 5.344 4.550 -0.001 0.000 0.334 300 Y C -0.667 175.139 175.900 -0.157 0.000 1.179 300 Y CA -1.267 56.774 58.100 -0.098 0.000 1.050 300 Y CB 1.114 39.471 38.460 -0.171 0.000 1.308 300 Y HN 0.558 nan 8.280 nan 0.000 0.456 301 G N 1.032 109.663 108.800 -0.281 0.000 2.684 301 G HA2 0.604 4.563 3.960 -0.001 0.000 0.290 301 G HA3 0.604 4.563 3.960 -0.001 0.000 0.290 301 G C -2.331 172.440 174.900 -0.216 0.000 1.425 301 G CA -1.019 43.888 45.100 -0.322 0.000 0.822 301 G HN 0.526 nan 8.290 nan 0.000 0.482 302 F N -0.778 119.191 119.950 0.032 0.000 2.408 302 F HA 0.513 5.040 4.527 -0.001 0.000 0.325 302 F C 0.581 176.386 175.800 0.010 0.000 1.082 302 F CA -0.494 57.542 58.000 0.059 0.000 1.032 302 F CB 2.031 41.018 39.000 -0.022 0.000 1.259 302 F HN 0.386 nan 8.300 nan 0.000 0.503 303 c N 2.750 121.483 118.600 0.222 0.000 2.955 303 c HA 0.256 4.825 4.570 -0.001 0.000 0.262 303 c C -1.553 172.559 174.090 0.036 0.000 1.279 303 c CA -1.027 55.347 56.329 0.076 0.000 1.615 303 c CB -0.514 42.023 42.510 0.045 0.000 1.755 303 c HN 0.558 nan 8.230 nan 0.000 0.452 304 P HA -0.052 nan 4.420 nan 0.000 0.226 304 P C 0.314 177.574 177.300 -0.065 0.000 1.153 304 P CA 1.468 64.523 63.100 -0.075 0.000 0.777 304 P CB 0.486 32.120 31.700 -0.110 0.000 0.794 305 E N -2.594 117.572 120.200 -0.057 0.000 2.392 305 E HA 0.283 4.632 4.350 -0.001 0.000 0.281 305 E C -1.495 175.059 176.600 -0.076 0.000 1.088 305 E CA -0.530 55.842 56.400 -0.048 0.000 0.850 305 E CB 1.030 30.719 29.700 -0.018 0.000 1.267 305 E HN -0.346 nan 8.360 nan 0.000 0.438 306 T N 1.349 115.864 114.554 -0.065 0.000 2.890 306 T HA 0.602 4.951 4.350 -0.001 0.000 0.295 306 T C -0.555 174.151 174.700 0.010 0.000 0.993 306 T CA -0.339 61.698 62.100 -0.104 0.000 0.979 306 T CB 1.308 70.057 68.868 -0.198 0.000 0.967 306 T HN 0.548 nan 8.240 nan 0.000 0.441 307 A N 4.793 127.673 122.820 0.100 0.000 2.371 307 A HA 0.868 5.188 4.320 -0.001 0.000 0.257 307 A C 0.100 177.771 177.584 0.145 0.000 1.089 307 A CA -0.568 51.551 52.037 0.136 0.000 0.794 307 A CB 0.083 19.184 19.000 0.169 0.000 1.029 307 A HN 0.917 nan 8.150 nan 0.000 0.488 308 M N 0.900 120.542 119.600 0.069 0.000 2.365 308 M HA 0.328 4.808 4.480 -0.001 0.000 0.288 308 M C -0.330 175.955 176.300 -0.025 0.000 1.152 308 M CA -0.601 54.721 55.300 0.036 0.000 0.948 308 M CB 1.592 34.213 32.600 0.034 0.000 1.729 308 M HN 0.342 nan 8.290 nan 0.000 0.487 309 S N 0.375 116.058 115.700 -0.029 0.000 2.395 309 S HA 0.033 4.502 4.470 -0.001 0.000 0.225 309 S C 0.773 175.341 174.600 -0.052 0.000 1.027 309 S CA 0.948 59.117 58.200 -0.052 0.000 0.965 309 S CB 0.087 63.270 63.200 -0.028 0.000 0.812 309 S HN 0.812 nan 8.310 nan 0.000 0.482 310 T N 1.523 116.052 114.554 -0.043 0.000 2.932 310 T HA 0.650 5.000 4.350 -0.001 0.000 0.289 310 T C -0.961 173.718 174.700 -0.034 0.000 1.039 310 T CA -0.445 61.632 62.100 -0.039 0.000 1.024 310 T CB 1.737 70.566 68.868 -0.065 0.000 1.090 310 T HN -0.116 nan 8.240 nan 0.000 0.496 311 V N 2.013 121.929 119.914 0.003 0.000 2.735 311 V HA 0.815 4.934 4.120 -0.001 0.000 0.310 311 V C 0.838 176.977 176.094 0.075 0.000 1.061 311 V CA 0.167 62.468 62.300 0.001 0.000 0.913 311 V CB 1.160 32.961 31.823 -0.037 0.000 1.005 311 V HN 1.285 nan 8.190 nan 0.000 0.428 312 G N 2.882 111.686 108.800 0.006 0.000 2.569 312 G HA2 0.283 4.242 3.960 -0.001 0.000 0.259 312 G HA3 0.283 4.242 3.960 -0.001 0.000 0.259 312 G C 0.785 175.576 174.900 -0.181 0.000 1.263 312 G CA 0.061 45.186 45.100 0.042 0.000 0.928 312 G HN 2.516 nan 8.290 nan 0.000 0.572 313 G N -0.584 107.986 108.800 -0.383 0.000 2.578 313 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.275 313 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.275 313 G C 0.697 175.111 174.900 -0.811 0.000 1.271 313 G CA 1.336 45.499 45.100 -1.560 0.000 0.941 313 G HN 2.513 nan 8.290 nan 0.000 0.564 314 N N -1.928 116.216 118.700 -0.927 0.000 2.238 314 N HA 0.342 5.082 4.740 -0.001 0.000 0.235 314 N C 0.821 176.162 175.510 -0.281 0.000 1.209 314 N CA 0.381 53.199 53.050 -0.386 0.000 0.879 314 N CB 0.909 39.291 38.487 -0.174 0.000 1.136 314 N HN 0.323 nan 8.380 nan 0.000 0.517 315 S N 0.841 116.348 115.700 -0.321 0.000 2.582 315 S HA 0.098 4.568 4.470 -0.001 0.000 0.234 315 S C 0.115 174.639 174.600 -0.127 0.000 0.961 315 S CA -0.349 57.739 58.200 -0.186 0.000 0.953 315 S CB -0.075 63.020 63.200 -0.175 0.000 0.800 315 S HN 0.375 nan 8.310 nan 0.000 0.471 316 E N 0.199 120.326 120.200 -0.122 0.000 2.604 316 E HA -0.295 4.054 4.350 -0.001 0.000 0.255 316 E C 0.982 177.561 176.600 -0.034 0.000 1.164 316 E CA 0.562 56.922 56.400 -0.068 0.000 0.737 316 E CB -1.384 28.290 29.700 -0.044 0.000 1.317 316 E HN 0.750 nan 8.360 nan 0.000 0.417 317 G N -1.789 106.976 108.800 -0.058 0.000 2.218 317 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.216 317 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.216 317 G C 0.452 175.329 174.900 -0.037 0.000 0.994 317 G CA -0.063 45.020 45.100 -0.027 0.000 0.637 317 G HN 1.052 nan 8.290 nan 0.000 0.505 318 A N 1.622 124.410 122.820 -0.052 0.000 2.598 318 A HA 0.473 4.792 4.320 -0.001 0.000 0.239 318 A C -1.085 176.464 177.584 -0.058 0.000 1.032 318 A CA 0.760 52.764 52.037 -0.055 0.000 0.760 318 A CB -0.208 18.755 19.000 -0.061 0.000 0.946 318 A HN 0.295 nan 8.150 nan 0.000 0.512 319 P HA 0.159 nan 4.420 nan 0.000 0.270 319 P C -0.021 177.230 177.300 -0.081 0.000 1.223 319 P CA -0.471 62.606 63.100 -0.038 0.000 0.785 319 P CB 0.356 32.054 31.700 -0.004 0.000 0.923 320 c N 0.761 119.297 118.600 -0.107 0.000 2.705 320 c HA 0.308 4.878 4.570 -0.001 0.000 0.365 320 c C 0.395 174.279 174.090 -0.344 0.000 1.353 320 c CA 0.073 56.229 56.329 -0.288 0.000 2.339 320 c CB -0.174 42.103 42.510 -0.387 0.000 2.576 320 c HN 0.264 nan 8.230 nan 0.000 0.716 321 V N 1.340 120.931 119.914 -0.539 0.000 2.623 321 V HA 0.539 4.658 4.120 -0.001 0.000 0.304 321 V C -0.965 174.882 176.094 -0.412 0.000 1.054 321 V CA -0.219 61.897 62.300 -0.307 0.000 0.882 321 V CB 1.236 33.001 31.823 -0.097 0.000 1.002 321 V HN 0.664 nan 8.190 nan 0.000 0.424 322 F N 4.849 124.893 119.950 0.156 0.000 2.551 322 F HA 0.754 5.280 4.527 -0.001 0.000 0.316 322 F C -1.644 174.205 175.800 0.082 0.000 1.089 322 F CA -1.914 56.163 58.000 0.129 0.000 0.915 322 F CB 1.662 40.699 39.000 0.062 0.000 1.186 322 F HN 0.361 nan 8.300 nan 0.000 0.456 323 P HA 0.474 nan 4.420 nan 0.000 0.278 323 P C -1.379 176.069 177.300 0.246 0.000 1.266 323 P CA -0.272 62.967 63.100 0.231 0.000 0.807 323 P CB 1.269 33.029 31.700 0.100 0.000 1.094 324 F N -1.945 118.127 119.950 0.205 0.000 2.578 324 F HA 0.598 5.124 4.527 -0.001 0.000 0.311 324 F C -0.526 175.452 175.800 0.297 0.000 1.094 324 F CA -0.986 57.123 58.000 0.182 0.000 0.923 324 F CB 1.021 40.077 39.000 0.093 0.000 1.230 324 F HN 0.322 nan 8.300 nan 0.000 0.450 325 T N 0.873 115.752 114.554 0.542 0.000 2.875 325 T HA 0.704 5.054 4.350 -0.001 0.000 0.284 325 T C -1.265 173.886 174.700 0.752 0.000 0.995 325 T CA -0.446 61.955 62.100 0.502 0.000 1.060 325 T CB 1.572 70.619 68.868 0.298 0.000 0.967 325 T HN 0.856 nan 8.240 nan 0.000 0.476 326 F N 3.948 124.233 119.950 0.557 0.000 2.605 326 F HA 0.457 4.983 4.527 -0.001 0.000 0.320 326 F C 0.164 176.185 175.800 0.369 0.000 1.159 326 F CA -1.551 56.740 58.000 0.485 0.000 0.999 326 F CB 0.905 40.213 39.000 0.514 0.000 1.258 326 F HN 0.665 nan 8.300 nan 0.000 0.464 327 L N 5.722 126.639 121.223 -0.509 0.000 4.367 327 L HA -0.302 4.037 4.340 -0.001 0.000 0.424 327 L C 1.063 177.873 176.870 -0.100 0.000 1.152 327 L CA 1.191 55.770 54.840 -0.435 0.000 0.974 327 L CB -1.824 39.821 42.059 -0.690 0.000 2.012 327 L HN 1.420 nan 8.230 nan 0.000 0.922 328 G N -1.242 107.573 108.800 0.024 0.000 2.179 328 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.220 328 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.220 328 G C 0.000 174.935 174.900 0.058 0.000 0.990 328 G CA 0.190 45.317 45.100 0.044 0.000 0.646 328 G HN 0.467 nan 8.290 nan 0.000 0.517 329 N N 0.577 119.345 118.700 0.114 0.000 2.269 329 N HA 0.511 5.250 4.740 -0.001 0.000 0.304 329 N C -0.351 175.129 175.510 -0.049 0.000 1.072 329 N CA -0.649 52.383 53.050 -0.031 0.000 0.802 329 N CB 1.814 40.200 38.487 -0.169 0.000 1.348 329 N HN 0.597 nan 8.380 nan 0.000 0.484 330 K N 0.310 120.604 120.400 -0.177 0.000 2.174 330 K HA 0.430 4.749 4.320 -0.001 0.000 0.275 330 K C -1.318 175.007 176.600 -0.458 0.000 1.015 330 K CA -0.247 55.953 56.287 -0.145 0.000 0.933 330 K CB 0.592 33.053 32.500 -0.064 0.000 1.025 330 K HN 0.413 nan 8.250 nan 0.000 0.463 331 Y N 1.011 121.046 120.300 -0.442 0.000 2.391 331 Y HA 0.212 4.761 4.550 -0.001 0.000 0.341 331 Y C -0.457 175.191 175.900 -0.420 0.000 0.965 331 Y CA -0.957 56.812 58.100 -0.551 0.000 1.067 331 Y CB 2.296 40.175 38.460 -0.968 0.000 1.199 331 Y HN 0.740 nan 8.280 nan 0.000 0.450 332 E N 0.300 120.425 120.200 -0.124 0.000 2.548 332 E HA 0.240 4.589 4.350 -0.001 0.000 0.206 332 E C -0.221 176.073 176.600 -0.510 0.000 1.005 332 E CA -0.315 56.020 56.400 -0.108 0.000 0.951 332 E CB 1.006 30.623 29.700 -0.138 0.000 1.035 332 E HN 0.297 nan 8.360 nan 0.000 0.470 333 S N -0.768 114.742 115.700 -0.317 0.000 2.570 333 S HA 0.359 4.828 4.470 -0.001 0.000 0.270 333 S C -0.353 174.278 174.600 0.053 0.000 1.149 333 S CA -0.964 56.993 58.200 -0.405 0.000 0.837 333 S CB 0.646 63.681 63.200 -0.274 0.000 1.124 333 S HN 0.177 nan 8.310 nan 0.000 0.465 334 c N 2.589 121.255 118.600 0.109 0.000 2.550 334 c HA 0.501 5.070 4.570 -0.001 0.000 0.406 334 c C 1.243 175.274 174.090 -0.098 0.000 1.366 334 c CA 0.245 56.614 56.329 0.067 0.000 1.712 334 c CB -0.695 41.833 42.510 0.030 0.000 2.613 334 c HN 0.888 nan 8.230 nan 0.000 0.608 335 T N 0.067 114.422 114.554 -0.331 0.000 2.831 335 T HA 0.449 4.799 4.350 -0.001 0.000 0.287 335 T C 0.444 174.958 174.700 -0.310 0.000 1.070 335 T CA -0.132 61.776 62.100 -0.321 0.000 1.010 335 T CB 1.709 70.278 68.868 -0.498 0.000 1.264 335 T HN 0.667 nan 8.240 nan 0.000 0.532 336 S N 0.188 115.842 115.700 -0.076 0.000 2.650 336 S HA 0.535 5.005 4.470 -0.001 0.000 0.240 336 S C 0.596 175.332 174.600 0.227 0.000 1.007 336 S CA 0.131 58.398 58.200 0.112 0.000 0.984 336 S CB -0.672 62.585 63.200 0.095 0.000 0.910 336 S HN 0.990 nan 8.310 nan 0.000 0.509 337 A N 0.335 123.259 122.820 0.172 0.000 2.565 337 A HA 0.471 4.791 4.320 -0.001 0.000 0.237 337 A C 1.612 179.441 177.584 0.408 0.000 1.053 337 A CA 0.671 52.883 52.037 0.292 0.000 0.755 337 A CB -0.915 18.203 19.000 0.196 0.000 0.980 337 A HN 1.472 nan 8.150 nan 0.000 0.506 338 G N 1.797 110.845 108.800 0.414 0.000 2.234 338 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.260 338 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.260 338 G C 0.480 175.504 174.900 0.207 0.000 0.987 338 G CA 0.721 46.025 45.100 0.341 0.000 0.625 338 G HN 0.915 nan 8.290 nan 0.000 0.532 339 R N 0.256 120.852 120.500 0.159 0.000 2.532 339 R HA 0.573 4.912 4.340 -0.001 0.000 0.295 339 R C 1.276 177.629 176.300 0.087 0.000 0.968 339 R CA 0.239 56.384 56.100 0.074 0.000 0.916 339 R CB 1.495 31.807 30.300 0.021 0.000 1.124 339 R HN 0.351 nan 8.270 nan 0.000 0.463 340 S N 0.087 115.827 115.700 0.067 0.000 2.512 340 S HA -0.053 4.416 4.470 -0.001 0.000 0.216 340 S C 0.653 175.281 174.600 0.046 0.000 1.006 340 S CA 0.238 58.473 58.200 0.058 0.000 0.915 340 S CB 0.239 63.470 63.200 0.052 0.000 0.824 340 S HN 0.698 nan 8.310 nan 0.000 0.497 341 D N 0.197 120.625 120.400 0.045 0.000 2.342 341 D HA 0.345 4.984 4.640 -0.001 0.000 0.221 341 D C 1.495 177.816 176.300 0.035 0.000 1.101 341 D CA 0.509 54.527 54.000 0.030 0.000 0.837 341 D CB -0.395 40.422 40.800 0.028 0.000 0.938 341 D HN 0.476 nan 8.370 nan 0.000 0.508 342 G N 0.244 109.075 108.800 0.053 0.000 2.302 342 G HA2 -0.417 3.542 3.960 -0.001 0.000 0.263 342 G HA3 -0.417 3.542 3.960 -0.001 0.000 0.263 342 G C 0.461 175.408 174.900 0.079 0.000 0.995 342 G CA 0.474 45.608 45.100 0.057 0.000 0.622 342 G HN 0.486 nan 8.290 nan 0.000 0.538 343 K N 0.641 121.101 120.400 0.100 0.000 2.559 343 K HA 0.316 4.636 4.320 -0.001 0.000 0.279 343 K C 0.942 177.679 176.600 0.228 0.000 0.967 343 K CA 0.701 57.090 56.287 0.169 0.000 1.000 343 K CB 0.175 32.835 32.500 0.266 0.000 0.890 343 K HN 0.215 nan 8.250 nan 0.000 0.501 344 M N 4.424 124.167 119.600 0.238 0.000 2.149 344 M HA 0.316 4.795 4.480 -0.001 0.000 0.342 344 M C -0.694 175.734 176.300 0.214 0.000 1.068 344 M CA -0.490 54.909 55.300 0.165 0.000 0.991 344 M CB 0.835 33.479 32.600 0.073 0.000 1.596 344 M HN 0.698 nan 8.290 nan 0.000 0.439 345 W N 3.452 124.662 121.300 -0.149 0.000 3.021 345 W HA 0.798 5.457 4.660 -0.001 0.000 0.337 345 W C -1.173 175.247 176.519 -0.165 0.000 1.171 345 W CA -1.192 55.993 57.345 -0.266 0.000 1.060 345 W CB 0.685 29.768 29.460 -0.628 0.000 1.472 345 W HN 0.888 nan 8.180 nan 0.000 0.594 346 c N -0.522 117.970 118.600 -0.180 0.000 3.332 346 c HA 0.896 5.465 4.570 -0.001 0.000 0.329 346 c C -0.296 173.485 174.090 -0.515 0.000 1.434 346 c CA -0.565 55.439 56.329 -0.542 0.000 1.314 346 c CB 1.076 43.478 42.510 -0.180 0.000 1.664 346 c HN 1.122 nan 8.230 nan 0.000 0.457 347 A N 0.434 122.555 122.820 -1.164 0.000 2.312 347 A HA 0.734 5.053 4.320 -0.001 0.000 0.328 347 A C 0.846 178.254 177.584 -0.294 0.000 1.158 347 A CA 0.348 52.039 52.037 -0.577 0.000 0.821 347 A CB 0.649 19.180 19.000 -0.781 0.000 1.170 347 A HN 1.731 nan 8.150 nan 0.000 0.490 348 T N -1.626 112.871 114.554 -0.096 0.000 3.122 348 T HA 0.335 4.684 4.350 -0.001 0.000 0.250 348 T C 0.503 175.176 174.700 -0.045 0.000 1.067 348 T CA 0.569 62.617 62.100 -0.087 0.000 0.966 348 T CB -0.710 68.116 68.868 -0.069 0.000 1.002 348 T HN 1.232 nan 8.240 nan 0.000 0.542 349 T N -2.050 112.495 114.554 -0.015 0.000 2.868 349 T HA 0.674 5.023 4.350 -0.001 0.000 0.306 349 T C 1.039 175.790 174.700 0.085 0.000 1.224 349 T CA -0.194 61.923 62.100 0.029 0.000 1.012 349 T CB 1.373 70.263 68.868 0.036 0.000 1.221 349 T HN -0.024 nan 8.240 nan 0.000 0.499 350 A N 1.667 124.553 122.820 0.111 0.000 2.225 350 A HA 0.156 4.476 4.320 -0.001 0.000 0.215 350 A C 1.013 178.748 177.584 0.251 0.000 1.164 350 A CA 0.840 52.985 52.037 0.180 0.000 0.710 350 A CB -0.783 18.300 19.000 0.137 0.000 0.780 350 A HN 0.826 nan 8.150 nan 0.000 0.473 351 N N -1.645 117.189 118.700 0.223 0.000 2.629 351 N HA 0.103 4.842 4.740 -0.001 0.000 0.277 351 N C -0.273 175.397 175.510 0.267 0.000 1.188 351 N CA -0.502 52.708 53.050 0.267 0.000 0.835 351 N CB 0.567 39.162 38.487 0.179 0.000 1.420 351 N HN 0.142 nan 8.380 nan 0.000 0.542 352 Y N 3.575 124.039 120.300 0.273 0.000 2.200 352 Y HA -0.105 4.444 4.550 -0.001 0.000 0.290 352 Y C 1.199 177.210 175.900 0.186 0.000 1.137 352 Y CA 1.801 60.054 58.100 0.255 0.000 1.163 352 Y CB 0.280 38.995 38.460 0.426 0.000 0.988 352 Y HN 0.487 nan 8.280 nan 0.000 0.518 353 D N 0.338 120.966 120.400 0.380 0.000 2.133 353 D HA -0.217 4.423 4.640 -0.001 0.000 0.192 353 D C 1.619 177.937 176.300 0.031 0.000 1.001 353 D CA 1.992 56.106 54.000 0.189 0.000 0.844 353 D CB -0.344 40.546 40.800 0.149 0.000 0.944 353 D HN 0.483 nan 8.370 nan 0.000 0.447 354 D N -0.239 120.182 120.400 0.035 0.000 2.213 354 D HA -0.046 4.593 4.640 -0.001 0.000 0.205 354 D C 1.083 177.351 176.300 -0.053 0.000 0.961 354 D CA 0.741 54.739 54.000 -0.003 0.000 0.853 354 D CB 0.000 40.816 40.800 0.026 0.000 0.967 354 D HN 0.241 nan 8.370 nan 0.000 0.496 355 D N 0.001 120.349 120.400 -0.086 0.000 2.423 355 D HA 0.038 4.677 4.640 -0.001 0.000 0.212 355 D C 0.318 176.479 176.300 -0.231 0.000 1.060 355 D CA 0.009 53.942 54.000 -0.111 0.000 0.872 355 D CB 0.577 41.349 40.800 -0.048 0.000 1.012 355 D HN -0.040 nan 8.370 nan 0.000 0.503 356 R N 1.176 121.351 120.500 -0.541 0.000 3.333 356 R HA -0.140 4.200 4.340 -0.001 0.000 0.256 356 R C -0.633 175.510 176.300 -0.260 0.000 1.010 356 R CA 0.636 56.198 56.100 -0.898 0.000 0.680 356 R CB -2.101 27.909 30.300 -0.484 0.000 1.102 356 R HN 0.165 nan 8.270 nan 0.000 0.440 357 K N 1.119 121.467 120.400 -0.086 0.000 2.394 357 K HA 0.435 4.754 4.320 -0.001 0.000 0.260 357 K C 0.466 177.246 176.600 0.300 0.000 0.967 357 K CA -0.319 56.028 56.287 0.100 0.000 0.855 357 K CB 1.829 34.332 32.500 0.004 0.000 1.101 357 K HN 0.329 nan 8.250 nan 0.000 0.433 358 W N 0.565 121.915 121.300 0.082 0.000 3.003 358 W HA 0.793 5.453 4.660 -0.001 0.000 0.362 358 W C -0.909 175.581 176.519 -0.048 0.000 1.213 358 W CA -1.152 56.240 57.345 0.078 0.000 1.157 358 W CB 0.883 30.449 29.460 0.176 0.000 1.493 358 W HN 0.560 nan 8.180 nan 0.000 0.589 359 G N -0.234 108.488 108.800 -0.131 0.000 2.606 359 G HA2 0.643 4.602 3.960 -0.001 0.000 0.300 359 G HA3 0.643 4.602 3.960 -0.001 0.000 0.300 359 G C -2.699 172.086 174.900 -0.191 0.000 1.360 359 G CA -1.033 43.807 45.100 -0.432 0.000 0.783 359 G HN 0.290 nan 8.290 nan 0.000 0.484 360 F N 0.075 120.005 119.950 -0.034 0.000 2.450 360 F HA 0.478 5.004 4.527 -0.001 0.000 0.332 360 F C 0.743 176.541 175.800 -0.003 0.000 1.093 360 F CA -0.508 57.526 58.000 0.057 0.000 1.003 360 F CB 1.761 40.766 39.000 0.009 0.000 1.151 360 F HN 0.361 nan 8.300 nan 0.000 0.474 361 c N 4.404 123.115 118.600 0.186 0.000 2.585 361 c HA 0.307 4.876 4.570 -0.001 0.000 0.406 361 c C -2.051 172.073 174.090 0.056 0.000 1.312 361 c CA -1.235 55.143 56.329 0.082 0.000 1.924 361 c CB -0.258 42.292 42.510 0.067 0.000 2.578 361 c HN 0.446 nan 8.230 nan 0.000 0.580 362 P HA 0.150 nan 4.420 nan 0.000 0.271 362 P C -0.236 177.006 177.300 -0.097 0.000 1.226 362 P CA 0.255 63.310 63.100 -0.074 0.000 0.765 362 P CB 0.574 32.206 31.700 -0.114 0.000 0.835 363 D N 2.514 122.834 120.400 -0.133 0.000 2.312 363 D HA 0.020 4.659 4.640 -0.001 0.000 0.290 363 D C 1.054 177.241 176.300 -0.188 0.000 1.170 363 D CA 0.391 54.303 54.000 -0.146 0.000 1.085 363 D CB -0.345 40.355 40.800 -0.167 0.000 1.154 363 D HN 0.071 nan 8.370 nan 0.000 0.535 364 Q N -0.895 118.772 119.800 -0.223 0.000 2.331 364 Q HA 0.277 4.617 4.340 -0.001 0.000 0.203 364 Q C 0.845 176.646 176.000 -0.331 0.000 0.944 364 Q CA 1.068 56.730 55.803 -0.234 0.000 0.892 364 Q CB -0.195 28.422 28.738 -0.202 0.000 0.983 364 Q HN 0.739 nan 8.270 nan 0.000 0.482 365 G N -0.959 107.531 108.800 -0.515 0.000 2.642 365 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.231 365 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.231 365 G C -1.111 173.209 174.900 -0.967 0.000 1.338 365 G CA -0.203 44.458 45.100 -0.731 0.000 0.883 365 G HN 0.137 nan 8.290 nan 0.000 0.570 366 Y N -0.248 119.859 120.300 -0.321 0.000 2.442 366 Y HA 0.650 5.200 4.550 -0.001 0.000 0.344 366 Y C 0.681 176.625 175.900 0.073 0.000 0.976 366 Y CA -0.522 57.375 58.100 -0.338 0.000 1.040 366 Y CB 2.181 40.221 38.460 -0.701 0.000 1.228 366 Y HN 0.889 nan 8.280 nan 0.000 0.451 367 S N 3.408 119.318 115.700 0.350 0.000 2.465 367 S HA 0.064 4.533 4.470 -0.001 0.000 0.280 367 S C 1.088 175.869 174.600 0.302 0.000 1.232 367 S CA -0.514 57.888 58.200 0.337 0.000 1.066 367 S CB 0.144 63.590 63.200 0.410 0.000 0.929 367 S HN 0.741 nan 8.310 nan 0.000 0.494 368 L N 6.721 128.059 121.223 0.191 0.000 2.042 368 L HA 0.034 4.373 4.340 -0.001 0.000 0.210 368 L C 1.784 178.584 176.870 -0.115 0.000 1.076 368 L CA 1.897 56.638 54.840 -0.164 0.000 0.749 368 L CB -1.134 40.702 42.059 -0.373 0.000 0.893 368 L HN 0.881 nan 8.230 nan 0.000 0.432 369 F N -0.120 119.764 119.950 -0.110 0.000 2.015 369 F HA -0.318 4.208 4.527 -0.001 0.000 0.297 369 F C 2.158 177.883 175.800 -0.126 0.000 1.141 369 F CA 2.266 60.206 58.000 -0.100 0.000 1.192 369 F CB -0.819 38.158 39.000 -0.039 0.000 0.957 369 F HN 0.033 nan 8.300 nan 0.000 0.491 370 L N -0.507 120.531 121.223 -0.308 0.000 2.017 370 L HA -0.231 4.108 4.340 -0.001 0.000 0.208 370 L C 2.423 179.133 176.870 -0.266 0.000 1.073 370 L CA 1.323 55.872 54.840 -0.485 0.000 0.745 370 L CB -1.017 40.978 42.059 -0.106 0.000 0.894 370 L HN 0.082 nan 8.230 nan 0.000 0.432 371 V N 0.244 120.141 119.914 -0.029 0.000 2.332 371 V HA -0.313 3.806 4.120 -0.001 0.000 0.248 371 V C 2.728 178.789 176.094 -0.056 0.000 1.055 371 V CA 1.886 64.194 62.300 0.013 0.000 1.038 371 V CB -0.927 30.989 31.823 0.155 0.000 0.651 371 V HN 0.502 nan 8.190 nan 0.000 0.450 372 A N -0.347 122.386 122.820 -0.146 0.000 1.969 372 A HA 0.005 4.325 4.320 -0.001 0.000 0.218 372 A C 2.389 179.573 177.584 -0.667 0.000 1.169 372 A CA 1.730 53.523 52.037 -0.408 0.000 0.635 372 A CB -0.603 18.117 19.000 -0.466 0.000 0.810 372 A HN 0.550 nan 8.150 nan 0.000 0.445 373 A N -0.137 122.406 122.820 -0.462 0.000 1.834 373 A HA -0.228 4.091 4.320 -0.001 0.000 0.216 373 A C 1.974 179.594 177.584 0.060 0.000 1.203 373 A CA 2.143 53.981 52.037 -0.332 0.000 0.621 373 A CB -1.374 17.201 19.000 -0.709 0.000 0.841 373 A HN 0.824 nan 8.150 nan 0.000 0.446 374 H N -0.275 118.750 119.070 -0.075 0.000 2.267 374 H HA -0.195 4.360 4.556 -0.001 0.000 0.291 374 H C 2.178 177.564 175.328 0.097 0.000 1.094 374 H CA 2.934 59.027 56.048 0.074 0.000 1.227 374 H CB -0.365 29.425 29.762 0.047 0.000 1.351 374 H HN 0.447 nan 8.280 nan 0.000 0.483 375 A N 0.518 123.524 122.820 0.310 0.000 1.881 375 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 375 A C 2.275 179.945 177.584 0.142 0.000 1.215 375 A CA 2.084 54.217 52.037 0.160 0.000 0.648 375 A CB -1.342 17.477 19.000 -0.302 0.000 0.832 375 A HN 0.550 nan 8.150 nan 0.000 0.455 376 F N 0.311 120.294 119.950 0.055 0.000 2.154 376 F HA -0.116 4.411 4.527 -0.001 0.000 0.301 376 F C 2.687 178.444 175.800 -0.072 0.000 1.087 376 F CA 0.537 58.537 58.000 -0.001 0.000 1.274 376 F CB -1.542 37.410 39.000 -0.080 0.000 1.009 376 F HN 0.275 nan 8.300 nan 0.000 0.485 377 G N -0.811 108.047 108.800 0.096 0.000 2.459 377 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.217 377 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.217 377 G C 1.658 176.360 174.900 -0.330 0.000 1.183 377 G CA 1.106 45.876 45.100 -0.551 0.000 0.776 377 G HN 0.343 nan 8.290 nan 0.000 0.552 378 H N 0.903 119.845 119.070 -0.214 0.000 2.325 378 H HA -0.158 4.397 4.556 -0.001 0.000 0.293 378 H C 2.898 178.120 175.328 -0.176 0.000 1.106 378 H CA 1.665 57.569 56.048 -0.241 0.000 1.247 378 H CB -0.535 29.095 29.762 -0.220 0.000 1.359 378 H HN 0.393 nan 8.280 nan 0.000 0.488 379 A N -0.063 122.814 122.820 0.095 0.000 2.168 379 A HA -0.083 4.236 4.320 -0.001 0.000 0.215 379 A C 2.131 179.863 177.584 0.246 0.000 1.152 379 A CA 0.960 53.097 52.037 0.166 0.000 0.716 379 A CB -0.213 18.956 19.000 0.281 0.000 0.794 379 A HN 0.193 nan 8.150 nan 0.000 0.465 380 M N -1.526 118.136 119.600 0.104 0.000 2.495 380 M HA 0.258 4.737 4.480 -0.001 0.000 0.237 380 M C 1.322 177.653 176.300 0.052 0.000 1.131 380 M CA 0.501 55.928 55.300 0.212 0.000 1.032 380 M CB 0.216 32.809 32.600 -0.012 0.000 1.513 380 M HN 0.650 nan 8.290 nan 0.000 0.488 381 G N -0.548 108.162 108.800 -0.151 0.000 2.253 381 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.209 381 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.209 381 G C 0.191 174.911 174.900 -0.300 0.000 0.997 381 G CA -0.234 44.704 45.100 -0.269 0.000 0.640 381 G HN 0.353 nan 8.290 nan 0.000 0.496 382 L N 0.752 121.804 121.223 -0.285 0.000 2.482 382 L HA 0.534 4.874 4.340 -0.001 0.000 0.273 382 L C 0.704 177.368 176.870 -0.343 0.000 1.228 382 L CA 0.328 54.978 54.840 -0.317 0.000 0.827 382 L CB 0.875 42.707 42.059 -0.378 0.000 1.099 382 L HN 0.400 nan 8.230 nan 0.000 0.494 383 E N -0.540 119.487 120.200 -0.288 0.000 2.336 383 E HA 0.258 4.607 4.350 -0.001 0.000 0.267 383 E C -1.041 175.482 176.600 -0.130 0.000 0.906 383 E CA -0.651 55.612 56.400 -0.228 0.000 0.781 383 E CB 1.033 30.633 29.700 -0.166 0.000 1.261 383 E HN 0.405 nan 8.360 nan 0.000 0.436 384 H N 0.906 119.967 119.070 -0.014 0.000 3.157 384 H HA 0.079 4.635 4.556 -0.001 0.000 0.299 384 H C -0.036 175.359 175.328 0.112 0.000 0.961 384 H CA 0.374 56.472 56.048 0.083 0.000 1.428 384 H CB 0.666 30.560 29.762 0.221 0.000 1.459 384 H HN 0.296 nan 8.280 nan 0.000 0.566 385 S N 2.614 118.422 115.700 0.179 0.000 2.652 385 S HA 0.033 4.503 4.470 -0.001 0.000 0.270 385 S C 0.829 175.331 174.600 -0.162 0.000 1.243 385 S CA -0.654 57.557 58.200 0.018 0.000 0.999 385 S CB 1.683 64.889 63.200 0.010 0.000 0.973 385 S HN 0.834 nan 8.310 nan 0.000 0.544 386 Q N 0.437 120.035 119.800 -0.337 0.000 2.179 386 Q HA 0.209 4.548 4.340 -0.001 0.000 0.213 386 Q C -1.071 174.736 176.000 -0.322 0.000 0.833 386 Q CA -0.106 55.322 55.803 -0.626 0.000 0.990 386 Q CB 0.395 28.702 28.738 -0.718 0.000 1.132 386 Q HN 0.677 nan 8.270 nan 0.000 0.493 387 D N 0.153 120.454 120.400 -0.165 0.000 2.412 387 D HA 0.157 4.796 4.640 -0.001 0.000 0.224 387 D C -1.907 174.385 176.300 -0.013 0.000 1.093 387 D CA -2.346 51.601 54.000 -0.088 0.000 0.850 387 D CB 1.617 42.390 40.800 -0.044 0.000 1.046 387 D HN -0.058 nan 8.370 nan 0.000 0.507 388 P HA -0.128 nan 4.420 nan 0.000 0.219 388 P C 1.086 178.494 177.300 0.181 0.000 1.151 388 P CA 1.196 64.341 63.100 0.076 0.000 0.850 388 P CB 0.300 32.027 31.700 0.044 0.000 0.784 389 G N -1.849 107.119 108.800 0.280 0.000 3.042 389 G HA2 0.280 4.239 3.960 -0.001 0.000 0.212 389 G HA3 0.280 4.239 3.960 -0.001 0.000 0.212 389 G C 0.376 175.372 174.900 0.160 0.000 1.166 389 G CA 0.267 45.550 45.100 0.304 0.000 0.767 389 G HN 0.432 nan 8.290 nan 0.000 0.546 390 A N 0.426 123.323 122.820 0.128 0.000 2.362 390 A HA 0.521 4.841 4.320 -0.001 0.000 0.276 390 A C 1.336 179.009 177.584 0.150 0.000 1.153 390 A CA -0.564 51.545 52.037 0.120 0.000 0.813 390 A CB 0.771 19.821 19.000 0.083 0.000 1.081 390 A HN 0.288 nan 8.150 nan 0.000 0.507 391 L N 3.218 124.560 121.223 0.198 0.000 2.013 391 L HA -0.148 4.192 4.340 -0.001 0.000 0.212 391 L C 1.743 178.746 176.870 0.222 0.000 1.073 391 L CA 1.981 56.959 54.840 0.230 0.000 0.753 391 L CB -0.412 41.819 42.059 0.288 0.000 0.890 391 L HN 0.693 nan 8.230 nan 0.000 0.432 392 M N 0.519 120.217 119.600 0.163 0.000 2.766 392 M HA 0.163 4.642 4.480 -0.001 0.000 0.208 392 M C 0.572 176.967 176.300 0.158 0.000 1.152 392 M CA 0.296 55.611 55.300 0.024 0.000 1.013 392 M CB -2.164 30.393 32.600 -0.071 0.000 1.813 392 M HN 0.345 nan 8.290 nan 0.000 0.478 393 A N 1.783 124.732 122.820 0.215 0.000 2.331 393 A HA 0.485 4.805 4.320 -0.001 0.000 0.283 393 A C -1.133 176.585 177.584 0.223 0.000 1.142 393 A CA -1.210 50.935 52.037 0.179 0.000 0.812 393 A CB 0.317 19.394 19.000 0.128 0.000 1.074 393 A HN 0.190 nan 8.150 nan 0.000 0.497 394 P HA -0.118 nan 4.420 nan 0.000 0.214 394 P C 0.595 177.885 177.300 -0.017 0.000 1.163 394 P CA 1.021 64.049 63.100 -0.120 0.000 0.883 394 P CB -0.100 31.477 31.700 -0.205 0.000 0.788 395 I N -0.303 120.302 120.570 0.058 0.000 2.752 395 I HA -0.077 4.092 4.170 -0.001 0.000 0.287 395 I C 0.960 177.071 176.117 -0.009 0.000 1.188 395 I CA -0.233 61.048 61.300 -0.031 0.000 1.427 395 I CB -0.159 37.790 38.000 -0.084 0.000 1.365 395 I HN -0.052 nan 8.210 nan 0.000 0.585 396 Y N 5.714 125.922 120.300 -0.152 0.000 2.319 396 Y HA 0.223 4.773 4.550 -0.001 0.000 0.328 396 Y C -0.229 175.629 175.900 -0.070 0.000 1.133 396 Y CA -0.104 57.920 58.100 -0.127 0.000 1.265 396 Y CB 0.845 39.190 38.460 -0.191 0.000 1.218 396 Y HN 0.468 nan 8.280 nan 0.000 0.508 397 T N 7.200 121.260 114.554 -0.823 0.000 3.170 397 T HA 0.100 4.450 4.350 -0.001 0.000 0.315 397 T C -1.857 172.425 174.700 -0.696 0.000 0.967 397 T CA -0.506 61.209 62.100 -0.641 0.000 1.024 397 T CB -0.041 68.625 68.868 -0.337 0.000 1.018 397 T HN 0.500 nan 8.240 nan 0.000 0.449 398 Y N 4.074 123.961 120.300 -0.689 0.000 2.436 398 Y HA 0.476 5.025 4.550 -0.001 0.000 0.343 398 Y C 0.473 176.264 175.900 -0.182 0.000 1.008 398 Y CA -0.494 57.388 58.100 -0.363 0.000 1.241 398 Y CB 0.514 38.895 38.460 -0.131 0.000 1.153 398 Y HN 0.597 nan 8.280 nan 0.000 0.521 399 T N 3.929 117.978 114.554 -0.842 0.000 2.815 399 T HA 0.270 4.619 4.350 -0.001 0.000 0.289 399 T C 0.689 174.921 174.700 -0.780 0.000 1.000 399 T CA -0.908 60.782 62.100 -0.683 0.000 0.958 399 T CB 1.484 70.204 68.868 -0.247 0.000 0.944 399 T HN 0.876 nan 8.240 nan 0.000 0.442 400 K N 3.776 123.742 120.400 -0.724 0.000 2.009 400 K HA -0.076 4.243 4.320 -0.001 0.000 0.210 400 K C 0.377 176.930 176.600 -0.077 0.000 1.049 400 K CA 1.526 57.641 56.287 -0.287 0.000 0.929 400 K CB -0.115 32.353 32.500 -0.053 0.000 0.714 400 K HN 0.753 nan 8.250 nan 0.000 0.440 401 N N 0.961 119.616 118.700 -0.076 0.000 3.083 401 N HA 0.095 4.834 4.740 -0.001 0.000 0.260 401 N C -1.168 174.343 175.510 0.002 0.000 1.163 401 N CA -0.469 52.571 53.050 -0.017 0.000 1.060 401 N CB 0.300 38.764 38.487 -0.038 0.000 1.345 401 N HN 0.114 nan 8.380 nan 0.000 0.515 402 F N 1.914 121.841 119.950 -0.038 0.000 2.495 402 F HA 0.305 4.831 4.527 -0.001 0.000 0.365 402 F C 0.120 175.918 175.800 -0.003 0.000 1.090 402 F CA -0.486 57.503 58.000 -0.017 0.000 1.235 402 F CB 0.459 39.513 39.000 0.091 0.000 1.119 402 F HN 0.160 nan 8.300 nan 0.000 0.562 403 R N 6.552 126.395 120.500 -1.096 0.000 2.628 403 R HA 0.432 4.772 4.340 -0.001 0.000 0.288 403 R C -1.068 174.550 176.300 -1.137 0.000 0.980 403 R CA -1.177 54.316 56.100 -1.011 0.000 0.891 403 R CB 1.967 32.014 30.300 -0.421 0.000 1.188 403 R HN 0.706 nan 8.270 nan 0.000 0.450 404 L N 1.581 122.288 121.223 -0.860 0.000 2.506 404 L HA 0.033 4.372 4.340 -0.001 0.000 0.281 404 L C 0.643 177.397 176.870 -0.194 0.000 1.228 404 L CA 0.540 55.151 54.840 -0.383 0.000 0.850 404 L CB 0.981 42.917 42.059 -0.206 0.000 1.110 404 L HN 0.649 nan 8.230 nan 0.000 0.496 405 S N 1.529 117.204 115.700 -0.042 0.000 2.578 405 S HA 0.112 4.581 4.470 -0.001 0.000 0.283 405 S C 0.588 175.213 174.600 0.042 0.000 1.195 405 S CA -0.665 57.541 58.200 0.009 0.000 1.050 405 S CB 1.808 65.046 63.200 0.062 0.000 1.012 405 S HN 0.650 nan 8.310 nan 0.000 0.511 406 Q N 2.938 122.761 119.800 0.038 0.000 2.047 406 Q HA -0.238 4.101 4.340 -0.001 0.000 0.211 406 Q C 1.364 177.401 176.000 0.062 0.000 1.005 406 Q CA 3.052 58.883 55.803 0.047 0.000 0.866 406 Q CB -1.049 27.713 28.738 0.039 0.000 0.938 406 Q HN 0.967 nan 8.270 nan 0.000 0.414 407 D N -0.537 119.897 120.400 0.057 0.000 2.191 407 D HA -0.221 4.418 4.640 -0.001 0.000 0.190 407 D C 1.182 177.532 176.300 0.084 0.000 1.007 407 D CA 1.939 55.971 54.000 0.054 0.000 0.865 407 D CB -0.306 40.521 40.800 0.045 0.000 0.929 407 D HN 0.488 nan 8.370 nan 0.000 0.447 408 D N -0.010 120.467 120.400 0.128 0.000 2.075 408 D HA -0.124 4.515 4.640 -0.001 0.000 0.196 408 D C 2.409 178.852 176.300 0.238 0.000 0.985 408 D CA 0.643 54.779 54.000 0.227 0.000 0.834 408 D CB -0.495 40.489 40.800 0.307 0.000 0.987 408 D HN 0.292 nan 8.370 nan 0.000 0.452 409 I N 1.264 121.953 120.570 0.198 0.000 2.147 409 I HA -0.331 3.838 4.170 -0.001 0.000 0.245 409 I C 2.379 178.579 176.117 0.138 0.000 1.059 409 I CA 1.371 62.778 61.300 0.179 0.000 1.320 409 I CB -0.904 37.161 38.000 0.110 0.000 1.021 409 I HN 0.076 nan 8.210 nan 0.000 0.415 410 K N 0.927 121.385 120.400 0.096 0.000 1.971 410 K HA -0.177 4.142 4.320 -0.001 0.000 0.221 410 K C 2.237 178.869 176.600 0.053 0.000 1.050 410 K CA 2.012 58.336 56.287 0.061 0.000 0.967 410 K CB -0.674 31.850 32.500 0.040 0.000 0.733 410 K HN 0.384 nan 8.250 nan 0.000 0.445 411 G N 1.232 110.059 108.800 0.045 0.000 2.513 411 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.219 411 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.219 411 G C 1.478 176.378 174.900 0.001 0.000 1.160 411 G CA 1.380 46.483 45.100 0.004 0.000 0.767 411 G HN 0.390 nan 8.290 nan 0.000 0.571 412 I N 0.164 120.772 120.570 0.062 0.000 2.286 412 I HA -0.042 4.127 4.170 -0.001 0.000 0.245 412 I C 2.822 179.042 176.117 0.171 0.000 1.104 412 I CA 1.292 62.651 61.300 0.098 0.000 1.397 412 I CB -0.191 37.900 38.000 0.152 0.000 1.072 412 I HN 0.226 nan 8.210 nan 0.000 0.417 413 Q N -0.194 119.693 119.800 0.146 0.000 2.224 413 Q HA -0.229 4.110 4.340 -0.001 0.000 0.203 413 Q C 2.091 178.124 176.000 0.055 0.000 0.970 413 Q CA 1.318 57.196 55.803 0.126 0.000 0.865 413 Q CB -0.203 28.598 28.738 0.105 0.000 0.922 413 Q HN 0.591 nan 8.270 nan 0.000 0.445 414 E N 0.580 120.789 120.200 0.014 0.000 2.160 414 E HA -0.187 4.162 4.350 -0.001 0.000 0.195 414 E C 1.736 178.274 176.600 -0.104 0.000 0.991 414 E CA 0.781 57.159 56.400 -0.036 0.000 0.810 414 E CB 0.140 29.814 29.700 -0.043 0.000 0.742 414 E HN 0.311 nan 8.360 nan 0.000 0.466 415 L N -0.920 120.199 121.223 -0.174 0.000 2.253 415 L HA 0.035 4.374 4.340 -0.001 0.000 0.205 415 L C 0.478 177.010 176.870 -0.565 0.000 1.078 415 L CA 0.343 54.920 54.840 -0.439 0.000 0.805 415 L CB 0.097 41.756 42.059 -0.667 0.000 0.963 415 L HN 0.026 nan 8.230 nan 0.000 0.459 416 Y N -1.151 119.152 120.300 0.006 0.000 2.675 416 Y HA 0.594 5.143 4.550 -0.001 0.000 0.328 416 Y C 1.073 176.985 175.900 0.021 0.000 1.092 416 Y CA -0.921 57.190 58.100 0.019 0.000 1.190 416 Y CB -0.083 38.396 38.460 0.032 0.000 1.350 416 Y HN -0.148 nan 8.280 nan 0.000 0.525 417 G N -0.298 108.621 108.800 0.199 0.000 2.418 417 G HA2 0.359 4.319 3.960 -0.001 0.000 0.276 417 G HA3 0.359 4.319 3.960 -0.001 0.000 0.276 417 G C 0.385 175.352 174.900 0.112 0.000 1.442 417 G CA 0.275 45.442 45.100 0.113 0.000 1.066 417 G HN 0.809 nan 8.290 nan 0.000 0.553 418 A N -2.484 120.384 122.820 0.081 0.000 2.008 418 A HA 0.627 4.946 4.320 -0.001 0.000 0.201 418 A C 0.707 178.332 177.584 0.069 0.000 1.794 418 A CA 1.034 53.119 52.037 0.080 0.000 0.952 418 A CB 0.425 19.463 19.000 0.064 0.000 1.147 418 A HN 0.922 nan 8.150 nan 0.000 0.589 419 S N 1.280 117.010 115.700 0.051 0.000 2.392 419 S HA 0.486 4.955 4.470 -0.001 0.000 0.246 419 S C -2.942 171.676 174.600 0.029 0.000 0.999 419 S CA -1.059 57.165 58.200 0.041 0.000 1.059 419 S CB 1.186 64.411 63.200 0.042 0.000 1.194 419 S HN 0.369 nan 8.310 nan 0.000 0.421 420 P HA 0.530 nan 4.420 nan 0.000 0.274 420 P C -0.490 176.818 177.300 0.014 0.000 1.256 420 P CA -0.097 63.012 63.100 0.015 0.000 0.795 420 P CB 0.310 32.014 31.700 0.007 0.000 1.038 430 P HA 0.652 nan 4.420 nan 0.000 0.271 430 P C -0.391 176.925 177.300 0.026 0.000 1.238 430 P CA -0.248 62.866 63.100 0.023 0.000 0.794 430 P CB 0.450 32.164 31.700 0.024 0.000 0.959 431 T N -1.086 113.482 114.554 0.024 0.000 2.731 431 T HA 0.264 4.613 4.350 -0.001 0.000 0.300 431 T C 1.034 175.747 174.700 0.021 0.000 1.283 431 T CA -0.747 61.369 62.100 0.026 0.000 1.005 431 T CB 0.634 69.516 68.868 0.024 0.000 1.420 431 T HN 0.162 nan 8.240 nan 0.000 0.503 432 L N 0.328 121.563 121.223 0.021 0.000 2.131 432 L HA 0.293 4.632 4.340 -0.001 0.000 0.206 432 L C 1.901 178.776 176.870 0.009 0.000 1.087 432 L CA 1.399 56.244 54.840 0.009 0.000 0.767 432 L CB -0.842 41.223 42.059 0.010 0.000 0.917 432 L HN 1.067 nan 8.230 nan 0.000 0.441 433 G N -0.717 108.094 108.800 0.018 0.000 2.680 433 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.222 433 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.222 433 G C -2.253 172.665 174.900 0.031 0.000 1.460 433 G CA -0.370 44.743 45.100 0.022 0.000 1.275 433 G HN 0.216 nan 8.290 nan 0.000 0.506 434 P HA 0.704 nan 4.420 nan 0.000 0.276 434 P C -0.305 177.036 177.300 0.070 0.000 1.244 434 P CA -0.519 62.616 63.100 0.058 0.000 0.801 434 P CB 1.567 33.312 31.700 0.076 0.000 1.006 435 V N -0.949 119.011 119.914 0.076 0.000 3.181 435 V HA 0.433 4.552 4.120 -0.001 0.000 0.314 435 V C 0.025 176.173 176.094 0.090 0.000 1.173 435 V CA -0.853 61.491 62.300 0.072 0.000 1.052 435 V CB 1.450 33.293 31.823 0.034 0.000 1.123 435 V HN 0.503 nan 8.190 nan 0.000 0.454 436 T N 2.904 117.470 114.554 0.020 0.000 2.752 436 T HA 0.310 4.660 4.350 -0.001 0.000 0.295 436 T C -2.277 172.363 174.700 -0.100 0.000 0.923 436 T CA -0.352 61.656 62.100 -0.154 0.000 1.112 436 T CB 0.198 68.853 68.868 -0.355 0.000 0.884 436 T HN 0.500 nan 8.240 nan 0.000 0.525 437 P HA 0.159 nan 4.420 nan 0.000 0.266 437 P C -0.220 177.160 177.300 0.134 0.000 1.195 437 P CA -0.222 62.948 63.100 0.116 0.000 0.768 437 P CB 0.549 32.443 31.700 0.322 0.000 0.838 438 E N 2.986 123.210 120.200 0.040 0.000 2.151 438 E HA 0.154 4.503 4.350 -0.001 0.000 0.275 438 E C 1.123 177.687 176.600 -0.059 0.000 0.936 438 E CA -0.681 55.734 56.400 0.025 0.000 0.777 438 E CB 0.431 30.122 29.700 -0.016 0.000 1.108 438 E HN 0.182 nan 8.360 nan 0.000 0.401 439 I N 2.859 123.406 120.570 -0.038 0.000 4.454 439 I HA -0.540 3.629 4.170 -0.001 0.000 0.102 439 I C 1.576 177.545 176.117 -0.248 0.000 0.675 439 I CA 1.771 62.942 61.300 -0.215 0.000 0.697 439 I CB -1.176 36.771 38.000 -0.089 0.000 0.581 439 I HN 0.766 nan 8.210 nan 0.000 0.219 440 c N -1.428 117.084 118.600 -0.146 0.000 2.378 440 c HA 0.093 4.662 4.570 -0.001 0.000 0.389 440 c C 2.403 176.436 174.090 -0.095 0.000 1.394 440 c CA -0.172 56.084 56.329 -0.122 0.000 2.275 440 c CB -0.194 42.267 42.510 -0.082 0.000 2.567 440 c HN 0.472 nan 8.230 nan 0.000 0.556 441 K N 0.634 120.992 120.400 -0.071 0.000 2.209 441 K HA -0.297 4.022 4.320 -0.001 0.000 0.220 441 K C 0.966 177.530 176.600 -0.059 0.000 1.002 441 K CA 1.829 58.084 56.287 -0.054 0.000 0.947 441 K CB -0.306 32.167 32.500 -0.045 0.000 0.891 441 K HN 0.588 nan 8.250 nan 0.000 0.476 442 Q N 0.411 120.164 119.800 -0.078 0.000 2.359 442 Q HA 0.131 4.470 4.340 -0.001 0.000 0.275 442 Q C -1.377 174.555 176.000 -0.113 0.000 1.082 442 Q CA -0.632 55.124 55.803 -0.079 0.000 0.849 442 Q CB 1.754 30.452 28.738 -0.066 0.000 1.377 442 Q HN 0.065 nan 8.270 nan 0.000 0.452 443 D N 1.229 121.569 120.400 -0.101 0.000 2.455 443 D HA 0.237 4.877 4.640 -0.001 0.000 0.241 443 D C -0.813 175.375 176.300 -0.187 0.000 1.138 443 D CA 0.716 54.640 54.000 -0.127 0.000 0.877 443 D CB 0.565 41.309 40.800 -0.094 0.000 1.187 443 D HN 0.249 nan 8.370 nan 0.000 0.451 444 I N 2.374 122.776 120.570 -0.279 0.000 2.512 444 I HA 0.181 4.351 4.170 -0.001 0.000 0.287 444 I C -1.313 174.512 176.117 -0.486 0.000 1.069 444 I CA -0.904 60.135 61.300 -0.436 0.000 1.056 444 I CB 1.733 39.318 38.000 -0.691 0.000 1.229 444 I HN 0.158 nan 8.210 nan 0.000 0.429 445 V N 8.441 128.165 119.914 -0.317 0.000 2.304 445 V HA 0.436 4.555 4.120 -0.001 0.000 0.269 445 V C -0.488 175.519 176.094 -0.144 0.000 1.036 445 V CA -0.149 62.037 62.300 -0.189 0.000 0.840 445 V CB 0.055 31.832 31.823 -0.077 0.000 1.036 445 V HN 0.499 nan 8.190 nan 0.000 0.466 446 F N 4.389 124.349 119.950 0.018 0.000 2.545 446 F HA 0.200 4.726 4.527 -0.001 0.000 0.348 446 F C 1.702 177.547 175.800 0.075 0.000 1.163 446 F CA 0.321 58.364 58.000 0.071 0.000 1.331 446 F CB 0.428 39.454 39.000 0.044 0.000 1.138 446 F HN 0.544 nan 8.300 nan 0.000 0.602 447 D N 0.796 121.417 120.400 0.369 0.000 2.289 447 D HA 0.134 4.773 4.640 -0.001 0.000 0.207 447 D C 0.684 177.072 176.300 0.147 0.000 0.966 447 D CA 0.838 54.977 54.000 0.232 0.000 0.868 447 D CB 0.442 41.391 40.800 0.249 0.000 0.943 447 D HN 0.607 nan 8.370 nan 0.000 0.514 448 G N 0.651 109.562 108.800 0.184 0.000 2.657 448 G HA2 0.377 4.336 3.960 -0.001 0.000 0.303 448 G HA3 0.377 4.336 3.960 -0.001 0.000 0.303 448 G C -1.125 173.775 174.900 0.000 0.000 1.457 448 G CA -0.619 44.479 45.100 -0.003 0.000 0.982 448 G HN -0.087 nan 8.290 nan 0.000 0.583 449 I N 0.921 121.304 120.570 -0.311 0.000 2.460 449 I HA 0.830 4.999 4.170 -0.001 0.000 0.298 449 I C 0.347 176.272 176.117 -0.320 0.000 0.989 449 I CA -0.860 60.095 61.300 -0.575 0.000 1.173 449 I CB 1.673 38.916 38.000 -1.263 0.000 1.338 449 I HN 0.849 nan 8.210 nan 0.000 0.456 450 A N 4.719 127.438 122.820 -0.169 0.000 2.605 450 A HA 0.584 4.903 4.320 -0.001 0.000 0.294 450 A C -1.517 176.102 177.584 0.058 0.000 1.062 450 A CA -0.750 51.259 52.037 -0.047 0.000 0.682 450 A CB 1.561 20.522 19.000 -0.066 0.000 1.278 450 A HN 0.658 nan 8.150 nan 0.000 0.410 451 Q N 1.956 121.800 119.800 0.073 0.000 2.490 451 Q HA 0.543 4.883 4.340 -0.001 0.000 0.226 451 Q C 0.206 176.249 176.000 0.073 0.000 1.132 451 Q CA -0.329 55.546 55.803 0.119 0.000 0.928 451 Q CB 0.200 29.017 28.738 0.133 0.000 1.299 451 Q HN 0.568 nan 8.270 nan 0.000 0.528 452 I N 0.353 120.950 120.570 0.045 0.000 2.296 452 I HA -0.031 4.139 4.170 -0.001 0.000 0.242 452 I C 1.605 177.731 176.117 0.016 0.000 1.087 452 I CA 1.047 62.301 61.300 -0.077 0.000 1.393 452 I CB -0.044 37.712 38.000 -0.407 0.000 1.093 452 I HN 0.617 nan 8.210 nan 0.000 0.421 453 R N -0.154 120.396 120.500 0.084 0.000 3.069 453 R HA 0.252 4.592 4.340 -0.001 0.000 0.141 453 R C 1.569 177.935 176.300 0.109 0.000 1.845 453 R CA 1.191 57.347 56.100 0.093 0.000 1.419 453 R CB -0.540 29.815 30.300 0.092 0.000 1.346 453 R HN 0.139 nan 8.270 nan 0.000 0.467 454 G N 0.268 109.148 108.800 0.133 0.000 2.649 454 G HA2 0.195 4.154 3.960 -0.001 0.000 0.199 454 G HA3 0.195 4.154 3.960 -0.001 0.000 0.199 454 G C -0.475 174.509 174.900 0.139 0.000 1.085 454 G CA -0.258 44.909 45.100 0.111 0.000 0.804 454 G HN 0.175 nan 8.290 nan 0.000 0.671 455 E N 0.839 121.164 120.200 0.208 0.000 2.374 455 E HA 0.251 4.600 4.350 -0.001 0.000 0.260 455 E C -0.360 176.445 176.600 0.342 0.000 1.101 455 E CA -0.205 56.331 56.400 0.228 0.000 0.907 455 E CB 1.723 31.550 29.700 0.212 0.000 1.014 455 E HN 0.013 nan 8.360 nan 0.000 0.427 456 I N 2.860 123.587 120.570 0.262 0.000 2.442 456 I HA 0.185 4.355 4.170 -0.001 0.000 0.279 456 I C -0.247 176.066 176.117 0.326 0.000 1.081 456 I CA -0.686 60.791 61.300 0.295 0.000 1.197 456 I CB -0.970 37.176 38.000 0.243 0.000 1.394 456 I HN 0.214 nan 8.210 nan 0.000 0.488 457 F N 4.916 124.922 119.950 0.093 0.000 2.518 457 F HA 0.263 4.789 4.527 -0.001 0.000 0.359 457 F C 0.296 176.080 175.800 -0.028 0.000 1.118 457 F CA 0.224 58.269 58.000 0.076 0.000 1.287 457 F CB 0.201 39.221 39.000 0.033 0.000 1.132 457 F HN 0.143 nan 8.300 nan 0.000 0.587 458 F N 2.805 122.740 119.950 -0.024 0.000 2.467 458 F HA 0.507 5.033 4.527 -0.001 0.000 0.336 458 F C -0.383 175.485 175.800 0.114 0.000 1.123 458 F CA -0.923 56.978 58.000 -0.165 0.000 0.964 458 F CB 0.996 39.683 39.000 -0.523 0.000 1.136 458 F HN 0.162 nan 8.300 nan 0.000 0.447 459 F N 2.261 122.446 119.950 0.391 0.000 2.518 459 F HA 0.711 5.237 4.527 -0.001 0.000 0.338 459 F C 0.405 176.608 175.800 0.671 0.000 1.065 459 F CA -0.488 57.816 58.000 0.506 0.000 1.012 459 F CB 1.394 40.575 39.000 0.300 0.000 1.297 459 F HN 0.323 nan 8.300 nan 0.000 0.489 460 K N -0.317 120.527 120.400 0.741 0.000 1.898 460 K HA 0.222 4.542 4.320 -0.001 0.000 0.251 460 K C 0.241 177.079 176.600 0.396 0.000 0.625 460 K CA -0.230 56.404 56.287 0.578 0.000 0.463 460 K CB -0.451 32.493 32.500 0.740 0.000 1.666 460 K HN 0.367 nan 8.250 nan 0.000 0.513 461 D N 0.703 121.305 120.400 0.337 0.000 2.083 461 D HA -0.010 4.629 4.640 -0.001 0.000 0.199 461 D C 0.555 176.917 176.300 0.104 0.000 0.980 461 D CA 1.274 55.396 54.000 0.204 0.000 0.851 461 D CB 0.179 41.092 40.800 0.188 0.000 0.997 461 D HN 0.270 nan 8.370 nan 0.000 0.449 462 R N -0.697 119.788 120.500 -0.025 0.000 2.629 462 R HA 0.269 4.608 4.340 -0.001 0.000 0.386 462 R C -0.610 175.244 176.300 -0.743 0.000 1.071 462 R CA -0.216 55.645 56.100 -0.399 0.000 1.104 462 R CB 0.622 30.545 30.300 -0.629 0.000 1.370 462 R HN 0.073 nan 8.270 nan 0.000 0.574 463 F N 1.056 121.009 119.950 0.006 0.000 2.588 463 F HA 0.473 4.999 4.527 -0.001 0.000 0.310 463 F C -0.272 175.388 175.800 -0.234 0.000 1.082 463 F CA -1.628 56.236 58.000 -0.227 0.000 0.929 463 F CB 1.610 40.301 39.000 -0.515 0.000 1.254 463 F HN -0.163 nan 8.300 nan 0.000 0.455 464 I N -0.606 119.860 120.570 -0.174 0.000 2.498 464 I HA 0.547 4.716 4.170 -0.001 0.000 0.290 464 I C -1.617 174.364 176.117 -0.226 0.000 1.032 464 I CA -1.090 60.118 61.300 -0.153 0.000 1.073 464 I CB 1.524 39.417 38.000 -0.178 0.000 1.251 464 I HN 0.448 nan 8.210 nan 0.000 0.426 465 W N 5.202 126.495 121.300 -0.012 0.000 2.551 465 W HA 0.731 5.390 4.660 -0.001 0.000 0.330 465 W C -0.227 176.212 176.519 -0.132 0.000 1.063 465 W CA -0.639 56.655 57.345 -0.085 0.000 1.222 465 W CB 2.293 31.673 29.460 -0.134 0.000 1.349 465 W HN 0.667 nan 8.180 nan 0.000 0.536 466 R N 0.340 120.822 120.500 -0.030 0.000 2.734 466 R HA 0.810 5.149 4.340 -0.001 0.000 0.271 466 R C -1.076 175.168 176.300 -0.093 0.000 1.021 466 R CA -0.773 55.242 56.100 -0.141 0.000 0.893 466 R CB 1.893 31.684 30.300 -0.847 0.000 1.244 466 R HN 0.270 nan 8.270 nan 0.000 0.464 467 T N -0.737 113.806 114.554 -0.017 0.000 2.786 467 T HA 0.402 4.752 4.350 -0.001 0.000 0.316 467 T C 0.048 174.767 174.700 0.033 0.000 1.503 467 T CA -0.425 61.673 62.100 -0.003 0.000 1.019 467 T CB 1.494 70.369 68.868 0.011 0.000 1.415 467 T HN 0.329 nan 8.240 nan 0.000 0.496 468 V N 1.931 121.854 119.914 0.016 0.000 2.388 468 V HA 0.106 4.225 4.120 -0.001 0.000 0.217 468 V C 2.818 178.916 176.094 0.007 0.000 1.085 468 V CA 1.861 64.177 62.300 0.027 0.000 1.092 468 V CB -1.132 30.701 31.823 0.017 0.000 0.695 468 V HN 1.080 nan 8.190 nan 0.000 0.482 469 T N -2.225 112.319 114.554 -0.016 0.000 3.010 469 T HA 0.157 4.507 4.350 -0.001 0.000 0.252 469 T C -1.466 173.191 174.700 -0.073 0.000 1.047 469 T CA -0.077 61.993 62.100 -0.051 0.000 1.140 469 T CB -1.386 67.457 68.868 -0.043 0.000 0.885 469 T HN 0.375 nan 8.240 nan 0.000 0.464 470 P HA 0.150 nan 4.420 nan 0.000 0.255 470 P C 0.519 177.778 177.300 -0.070 0.000 1.173 470 P CA 0.102 63.169 63.100 -0.055 0.000 0.780 470 P CB 0.495 32.172 31.700 -0.037 0.000 0.758 471 R N 3.221 123.662 120.500 -0.098 0.000 2.173 471 R HA -0.043 4.296 4.340 -0.001 0.000 0.208 471 R C 1.623 177.885 176.300 -0.065 0.000 1.035 471 R CA 0.581 56.615 56.100 -0.109 0.000 1.004 471 R CB -0.778 29.421 30.300 -0.169 0.000 0.917 471 R HN 0.311 nan 8.270 nan 0.000 0.462 472 D N 1.052 121.418 120.400 -0.057 0.000 2.126 472 D HA -0.222 4.417 4.640 -0.001 0.000 0.190 472 D C -0.069 176.205 176.300 -0.044 0.000 1.001 472 D CA 1.328 55.303 54.000 -0.042 0.000 0.841 472 D CB 0.243 41.022 40.800 -0.035 0.000 0.949 472 D HN 0.247 nan 8.370 nan 0.000 0.446 473 K N 0.059 120.428 120.400 -0.051 0.000 2.578 473 K HA 0.222 4.541 4.320 -0.001 0.000 0.263 473 K C -2.634 173.929 176.600 -0.061 0.000 0.973 473 K CA -1.175 55.075 56.287 -0.061 0.000 0.909 473 K CB 2.504 34.979 32.500 -0.041 0.000 1.326 473 K HN -0.081 nan 8.250 nan 0.000 0.440 474 P HA 0.172 nan 4.420 nan 0.000 0.293 474 P C -0.563 176.733 177.300 -0.007 0.000 1.298 474 P CA -0.523 62.532 63.100 -0.074 0.000 0.757 474 P CB 0.765 32.350 31.700 -0.191 0.000 1.262 475 M N -1.915 117.697 119.600 0.020 0.000 2.849 475 M HA 0.574 5.054 4.480 -0.001 0.000 0.299 475 M C 0.111 176.456 176.300 0.075 0.000 1.223 475 M CA 0.392 55.709 55.300 0.027 0.000 0.856 475 M CB 1.654 34.240 32.600 -0.023 0.000 1.680 475 M HN 0.805 nan 8.290 nan 0.000 0.506 476 G N 0.937 109.733 108.800 -0.008 0.000 2.422 476 G HA2 0.015 3.974 3.960 -0.001 0.000 0.607 476 G HA3 0.015 3.974 3.960 -0.001 0.000 0.607 476 G C -3.259 171.570 174.900 -0.118 0.000 1.270 476 G CA -1.220 43.787 45.100 -0.156 0.000 0.992 476 G HN 0.557 nan 8.290 nan 0.000 0.499 477 P HA 0.737 nan 4.420 nan 0.000 0.279 477 P C -0.414 176.696 177.300 -0.316 0.000 1.252 477 P CA -0.556 62.121 63.100 -0.705 0.000 0.811 477 P CB 0.889 32.047 31.700 -0.902 0.000 1.035 478 L N 0.938 122.021 121.223 -0.234 0.000 2.422 478 L HA 0.411 4.750 4.340 -0.001 0.000 0.264 478 L C -0.166 176.696 176.870 -0.014 0.000 0.984 478 L CA -1.124 53.670 54.840 -0.075 0.000 0.819 478 L CB 1.849 43.834 42.059 -0.123 0.000 1.330 478 L HN 0.222 nan 8.230 nan 0.000 0.410 479 L N 2.643 123.803 121.223 -0.106 0.000 2.513 479 L HA -0.014 4.325 4.340 -0.001 0.000 0.272 479 L C 1.581 178.316 176.870 -0.225 0.000 1.187 479 L CA -0.163 54.493 54.840 -0.307 0.000 0.895 479 L CB 1.112 42.989 42.059 -0.304 0.000 1.147 479 L HN 0.623 nan 8.230 nan 0.000 0.483 480 V N 1.594 121.417 119.914 -0.151 0.000 2.469 480 V HA -0.275 3.844 4.120 -0.001 0.000 0.251 480 V C 2.148 178.275 176.094 0.054 0.000 1.064 480 V CA 1.789 64.161 62.300 0.120 0.000 1.066 480 V CB -0.895 31.090 31.823 0.269 0.000 0.667 480 V HN 0.923 nan 8.190 nan 0.000 0.461 481 A N -0.030 122.720 122.820 -0.117 0.000 2.225 481 A HA -0.088 4.231 4.320 -0.001 0.000 0.215 481 A C 2.186 179.600 177.584 -0.283 0.000 1.164 481 A CA 1.903 53.838 52.037 -0.170 0.000 0.710 481 A CB -1.240 17.621 19.000 -0.231 0.000 0.780 481 A HN 0.617 nan 8.150 nan 0.000 0.473 482 T N -0.367 113.928 114.554 -0.431 0.000 2.652 482 T HA -0.155 4.194 4.350 -0.001 0.000 0.267 482 T C 1.261 175.471 174.700 -0.816 0.000 1.039 482 T CA 2.105 63.781 62.100 -0.707 0.000 1.153 482 T CB -0.372 67.835 68.868 -1.101 0.000 0.863 482 T HN 0.578 nan 8.240 nan 0.000 0.428 483 F N -1.426 118.173 119.950 -0.584 0.000 2.505 483 F HA 0.295 4.822 4.527 -0.001 0.000 0.289 483 F C 0.523 175.635 175.800 -1.147 0.000 1.101 483 F CA -0.581 56.800 58.000 -1.030 0.000 1.446 483 F CB 0.378 38.308 39.000 -1.784 0.000 1.123 483 F HN 0.159 nan 8.300 nan 0.000 0.564 484 W N 1.223 122.391 121.300 -0.220 0.000 2.521 484 W HA 0.325 4.984 4.660 -0.001 0.000 0.310 484 W C -2.491 173.892 176.519 -0.226 0.000 1.000 484 W CA -1.912 55.143 57.345 -0.483 0.000 1.353 484 W CB 0.620 29.498 29.460 -0.970 0.000 1.276 484 W HN -0.155 nan 8.180 nan 0.000 0.417 485 P HA -0.100 nan 4.420 nan 0.000 0.215 485 P C 0.947 178.246 177.300 -0.001 0.000 1.160 485 P CA 1.746 64.848 63.100 0.003 0.000 0.869 485 P CB 0.556 32.331 31.700 0.123 0.000 0.782 486 E N -0.752 119.518 120.200 0.116 0.000 2.527 486 E HA -0.042 4.307 4.350 -0.001 0.000 0.204 486 E C 0.030 176.443 176.600 -0.311 0.000 1.132 486 E CA 0.314 56.736 56.400 0.037 0.000 0.905 486 E CB -0.897 28.916 29.700 0.188 0.000 0.875 486 E HN 0.107 nan 8.360 nan 0.000 0.548 487 L N 1.241 122.245 121.223 -0.366 0.000 2.292 487 L HA 0.322 4.661 4.340 -0.001 0.000 0.284 487 L C -2.140 174.464 176.870 -0.443 0.000 1.065 487 L CA -2.662 51.772 54.840 -0.676 0.000 0.806 487 L CB 0.672 42.459 42.059 -0.453 0.000 1.175 487 L HN -0.119 nan 8.230 nan 0.000 0.431 488 P HA 0.076 nan 4.420 nan 0.000 0.271 488 P C -0.108 177.111 177.300 -0.135 0.000 1.244 488 P CA -0.160 62.803 63.100 -0.230 0.000 0.793 488 P CB 0.413 32.015 31.700 -0.163 0.000 0.984 489 E N 0.998 121.152 120.200 -0.076 0.000 2.485 489 E HA -0.052 4.297 4.350 -0.001 0.000 0.194 489 E C 0.202 176.805 176.600 0.006 0.000 1.098 489 E CA 0.512 56.880 56.400 -0.052 0.000 0.878 489 E CB -0.173 29.492 29.700 -0.058 0.000 0.939 489 E HN 0.299 nan 8.360 nan 0.000 0.503 490 K N 0.803 121.217 120.400 0.023 0.000 2.713 490 K HA 0.133 4.452 4.320 -0.001 0.000 0.304 490 K C -0.711 175.931 176.600 0.070 0.000 1.240 490 K CA -0.510 55.822 56.287 0.075 0.000 1.080 490 K CB -0.853 31.693 32.500 0.077 0.000 1.387 490 K HN 0.028 nan 8.250 nan 0.000 0.527 491 I N -0.748 119.870 120.570 0.080 0.000 2.970 491 I HA 0.528 4.697 4.170 -0.001 0.000 0.310 491 I C 0.037 176.191 176.117 0.062 0.000 1.010 491 I CA 0.079 61.407 61.300 0.047 0.000 1.228 491 I CB 0.728 38.714 38.000 -0.022 0.000 1.433 491 I HN 0.384 nan 8.210 nan 0.000 0.573 492 D N 1.792 122.232 120.400 0.066 0.000 3.012 492 D HA 0.383 5.022 4.640 -0.001 0.000 0.230 492 D C 0.170 176.480 176.300 0.017 0.000 1.477 492 D CA 0.364 54.404 54.000 0.066 0.000 1.329 492 D CB -0.575 40.285 40.800 0.101 0.000 0.951 492 D HN 0.738 nan 8.370 nan 0.000 0.224 493 A N 0.595 123.445 122.820 0.050 0.000 2.279 493 A HA 0.614 4.934 4.320 -0.001 0.000 0.303 493 A C -0.428 177.184 177.584 0.047 0.000 1.108 493 A CA -0.379 51.662 52.037 0.006 0.000 0.830 493 A CB 1.302 20.251 19.000 -0.084 0.000 1.106 493 A HN 0.242 nan 8.150 nan 0.000 0.493 494 V N 1.746 121.634 119.914 -0.044 0.000 2.950 494 V HA 0.743 4.862 4.120 -0.001 0.000 0.295 494 V C -1.618 174.406 176.094 -0.117 0.000 1.297 494 V CA -0.435 61.720 62.300 -0.240 0.000 0.962 494 V CB 1.475 32.814 31.823 -0.808 0.000 1.081 494 V HN 1.761 nan 8.190 nan 0.000 0.432 495 Y N 2.710 122.862 120.300 -0.247 0.000 2.705 495 Y HA 0.870 5.419 4.550 -0.001 0.000 0.332 495 Y C -1.284 174.521 175.900 -0.158 0.000 1.221 495 Y CA -0.717 57.300 58.100 -0.137 0.000 1.059 495 Y CB 1.603 40.081 38.460 0.031 0.000 1.298 495 Y HN 0.834 nan 8.280 nan 0.000 0.459 496 E N 2.022 122.288 120.200 0.109 0.000 2.246 496 E HA 0.595 4.944 4.350 -0.001 0.000 0.266 496 E C -1.522 175.222 176.600 0.241 0.000 0.880 496 E CA -0.956 55.459 56.400 0.024 0.000 0.762 496 E CB 2.039 31.734 29.700 -0.008 0.000 1.180 496 E HN 1.105 nan 8.360 nan 0.000 0.416 497 A N 5.904 128.850 122.820 0.210 0.000 2.438 497 A HA 0.344 4.664 4.320 -0.001 0.000 0.280 497 A C -1.883 175.789 177.584 0.146 0.000 1.160 497 A CA -1.166 51.016 52.037 0.241 0.000 0.821 497 A CB 0.140 19.273 19.000 0.221 0.000 1.101 497 A HN 0.495 nan 8.150 nan 0.000 0.515 498 P HA -0.096 nan 4.420 nan 0.000 0.239 498 P C 0.954 178.307 177.300 0.088 0.000 1.184 498 P CA 0.888 64.052 63.100 0.107 0.000 0.760 498 P CB 0.307 32.073 31.700 0.111 0.000 0.884 499 Q N -0.228 119.624 119.800 0.088 0.000 2.376 499 Q HA -0.008 4.332 4.340 -0.001 0.000 0.206 499 Q C 1.217 177.253 176.000 0.060 0.000 0.921 499 Q CA 0.976 56.819 55.803 0.067 0.000 0.911 499 Q CB 0.286 29.060 28.738 0.060 0.000 1.032 499 Q HN 0.506 nan 8.270 nan 0.000 0.510 500 E N -0.489 119.752 120.200 0.068 0.000 2.712 500 E HA 0.040 4.389 4.350 -0.001 0.000 0.221 500 E C -0.458 176.179 176.600 0.062 0.000 0.943 500 E CA 0.001 56.436 56.400 0.059 0.000 1.259 500 E CB 0.481 30.215 29.700 0.056 0.000 1.167 500 E HN -0.110 nan 8.360 nan 0.000 0.569 501 E N 1.299 121.541 120.200 0.070 0.000 2.271 501 E HA -0.160 4.190 4.350 -0.001 0.000 0.223 501 E C -0.902 175.739 176.600 0.069 0.000 1.223 501 E CA 0.730 57.172 56.400 0.070 0.000 0.704 501 E CB -1.725 28.014 29.700 0.065 0.000 1.194 501 E HN 0.453 nan 8.360 nan 0.000 0.375 502 K N -0.117 120.317 120.400 0.056 0.000 2.358 502 K HA 0.603 4.923 4.320 -0.001 0.000 0.260 502 K C 0.029 176.622 176.600 -0.012 0.000 0.956 502 K CA -0.342 55.970 56.287 0.041 0.000 0.834 502 K CB 1.847 34.357 32.500 0.018 0.000 1.102 502 K HN 0.174 nan 8.250 nan 0.000 0.431 503 A N 3.363 126.217 122.820 0.056 0.000 2.444 503 A HA 0.228 4.547 4.320 -0.001 0.000 0.287 503 A C 0.042 177.593 177.584 -0.055 0.000 1.195 503 A CA -0.371 51.665 52.037 -0.000 0.000 0.858 503 A CB -0.086 19.072 19.000 0.263 0.000 1.117 503 A HN 0.452 nan 8.150 nan 0.000 0.521 504 V N 3.796 123.440 119.914 -0.449 0.000 2.407 504 V HA 0.443 4.562 4.120 -0.001 0.000 0.278 504 V C -0.697 175.056 176.094 -0.568 0.000 1.037 504 V CA -0.091 61.901 62.300 -0.514 0.000 0.900 504 V CB 0.612 31.864 31.823 -0.952 0.000 0.983 504 V HN 0.658 nan 8.190 nan 0.000 0.459 505 F N 4.524 124.266 119.950 -0.345 0.000 2.493 505 F HA 0.639 5.165 4.527 -0.001 0.000 0.329 505 F C -0.264 175.459 175.800 -0.128 0.000 1.126 505 F CA -0.780 57.087 58.000 -0.223 0.000 0.937 505 F CB 1.430 40.290 39.000 -0.233 0.000 1.146 505 F HN 0.275 nan 8.300 nan 0.000 0.442 506 F N 2.156 122.186 119.950 0.133 0.000 2.422 506 F HA 0.772 5.298 4.527 -0.001 0.000 0.333 506 F C 0.095 176.013 175.800 0.197 0.000 1.095 506 F CA -0.748 57.359 58.000 0.178 0.000 1.038 506 F CB 1.796 40.833 39.000 0.062 0.000 1.156 506 F HN 0.526 nan 8.300 nan 0.000 0.483 507 A N 2.229 125.310 122.820 0.436 0.000 2.534 507 A HA 0.562 4.881 4.320 -0.001 0.000 0.300 507 A C -0.010 177.768 177.584 0.324 0.000 1.054 507 A CA -0.221 52.022 52.037 0.343 0.000 0.858 507 A CB 0.263 19.441 19.000 0.296 0.000 1.333 507 A HN 1.635 nan 8.150 nan 0.000 0.391 508 G N 2.667 111.594 108.800 0.212 0.000 2.591 508 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.298 508 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.298 508 G C 0.528 175.507 174.900 0.132 0.000 1.195 508 G CA 0.721 45.918 45.100 0.161 0.000 0.989 508 G HN 1.304 nan 8.290 nan 0.000 0.551 509 N N 2.523 121.286 118.700 0.105 0.000 2.353 509 N HA 0.182 4.921 4.740 -0.001 0.000 0.185 509 N C 0.773 176.309 175.510 0.043 0.000 1.098 509 N CA 1.280 54.365 53.050 0.058 0.000 0.872 509 N CB 0.518 39.027 38.487 0.036 0.000 0.970 509 N HN 0.801 nan 8.380 nan 0.000 0.467 510 E N -0.158 120.077 120.200 0.059 0.000 2.334 510 E HA 0.455 4.804 4.350 -0.001 0.000 0.256 510 E C -1.125 175.509 176.600 0.057 0.000 0.958 510 E CA -0.971 55.400 56.400 -0.049 0.000 0.821 510 E CB 1.561 31.049 29.700 -0.354 0.000 1.269 510 E HN 0.123 nan 8.360 nan 0.000 0.413 511 Y N -1.877 118.172 120.300 -0.419 0.000 2.513 511 Y HA 0.507 5.056 4.550 -0.001 0.000 0.340 511 Y C -1.876 173.736 175.900 -0.480 0.000 1.055 511 Y CA -1.586 56.302 58.100 -0.353 0.000 1.020 511 Y CB 0.918 39.018 38.460 -0.600 0.000 1.301 511 Y HN 0.497 nan 8.280 nan 0.000 0.453 512 W N 4.447 125.508 121.300 -0.398 0.000 2.627 512 W HA 0.722 5.381 4.660 -0.001 0.000 0.339 512 W C -1.128 175.089 176.519 -0.504 0.000 1.058 512 W CA -1.067 55.998 57.345 -0.466 0.000 1.223 512 W CB 2.445 31.706 29.460 -0.331 0.000 1.389 512 W HN 0.524 nan 8.180 nan 0.000 0.541 513 I N 3.418 123.748 120.570 -0.400 0.000 2.583 513 I HA 0.118 4.287 4.170 -0.001 0.000 0.276 513 I C -0.789 175.229 176.117 -0.165 0.000 1.089 513 I CA -0.726 60.369 61.300 -0.343 0.000 1.103 513 I CB 0.561 38.150 38.000 -0.684 0.000 1.209 513 I HN 0.203 nan 8.210 nan 0.000 0.484 514 Y N 3.038 123.361 120.300 0.039 0.000 2.314 514 Y HA 0.393 4.943 4.550 -0.001 0.000 0.334 514 Y C 0.958 176.918 175.900 0.100 0.000 1.266 514 Y CA 0.358 58.526 58.100 0.112 0.000 1.391 514 Y CB 1.261 39.851 38.460 0.215 0.000 1.306 514 Y HN 0.477 nan 8.280 nan 0.000 0.558 515 S N 1.027 116.902 115.700 0.292 0.000 2.626 515 S HA 0.518 4.988 4.470 -0.001 0.000 0.275 515 S C -0.559 174.152 174.600 0.184 0.000 1.175 515 S CA -0.176 58.139 58.200 0.191 0.000 0.982 515 S CB 0.534 63.805 63.200 0.118 0.000 1.093 515 S HN 1.514 nan 8.310 nan 0.000 0.472 516 A N 3.060 125.974 122.820 0.157 0.000 2.791 516 A HA -0.052 4.268 4.320 -0.001 0.000 0.292 516 A C 1.006 178.671 177.584 0.136 0.000 1.487 516 A CA 1.292 53.400 52.037 0.119 0.000 0.760 516 A CB -2.625 16.425 19.000 0.085 0.000 1.031 516 A HN 2.165 nan 8.150 nan 0.000 0.503 517 S N -2.659 113.149 115.700 0.179 0.000 3.261 517 S HA -0.199 4.271 4.470 -0.001 0.000 0.287 517 S C 0.493 175.250 174.600 0.261 0.000 1.281 517 S CA 2.292 60.583 58.200 0.151 0.000 1.053 517 S CB -1.806 61.427 63.200 0.055 0.000 1.251 517 S HN 2.554 nan 8.310 nan 0.000 0.659 518 T N 0.244 115.009 114.554 0.352 0.000 2.952 518 T HA 0.646 4.996 4.350 -0.001 0.000 0.305 518 T C -0.216 174.645 174.700 0.267 0.000 1.064 518 T CA -1.037 61.257 62.100 0.324 0.000 1.008 518 T CB 1.754 70.723 68.868 0.168 0.000 1.078 518 T HN 0.511 nan 8.240 nan 0.000 0.459 519 L N 0.106 121.372 121.223 0.072 0.000 2.417 519 L HA 0.644 4.983 4.340 -0.001 0.000 0.268 519 L C 0.037 176.890 176.870 -0.029 0.000 1.158 519 L CA -0.760 53.974 54.840 -0.178 0.000 0.819 519 L CB 0.279 42.110 42.059 -0.380 0.000 1.112 519 L HN 0.612 nan 8.230 nan 0.000 0.458 520 E N 1.464 121.678 120.200 0.023 0.000 2.349 520 E HA 0.240 4.589 4.350 -0.001 0.000 0.262 520 E C -0.508 176.021 176.600 -0.118 0.000 1.088 520 E CA -0.790 55.621 56.400 0.018 0.000 0.899 520 E CB 0.967 30.747 29.700 0.132 0.000 1.044 520 E HN 0.489 nan 8.360 nan 0.000 0.420 521 R N 0.587 120.951 120.500 -0.226 0.000 2.538 521 R HA 0.025 4.364 4.340 -0.001 0.000 0.282 521 R C 0.796 176.831 176.300 -0.442 0.000 1.009 521 R CA 1.411 57.302 56.100 -0.348 0.000 1.063 521 R CB -0.112 29.888 30.300 -0.501 0.000 0.945 521 R HN 0.817 nan 8.270 nan 0.000 0.414 522 G N 2.886 111.440 108.800 -0.410 0.000 2.475 522 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.209 522 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.209 522 G C -0.626 173.956 174.900 -0.529 0.000 1.127 522 G CA -0.022 44.781 45.100 -0.495 0.000 0.681 522 G HN 0.572 nan 8.290 nan 0.000 0.517 523 Y N 2.732 122.837 120.300 -0.325 0.000 2.379 523 Y HA 0.501 5.050 4.550 -0.001 0.000 0.337 523 Y C -1.854 173.753 175.900 -0.489 0.000 1.238 523 Y CA -1.697 56.106 58.100 -0.495 0.000 1.405 523 Y CB 0.182 38.308 38.460 -0.556 0.000 1.310 523 Y HN 0.080 nan 8.280 nan 0.000 0.569 524 P HA 0.257 nan 4.420 nan 0.000 0.291 524 P C -0.986 175.933 177.300 -0.635 0.000 1.340 524 P CA -0.726 61.798 63.100 -0.959 0.000 0.799 524 P CB 0.647 31.055 31.700 -2.153 0.000 0.917 525 K N 4.586 124.724 120.400 -0.437 0.000 2.107 525 K HA 0.416 4.735 4.320 -0.001 0.000 0.251 525 K C -2.264 174.337 176.600 0.002 0.000 1.012 525 K CA -1.877 54.316 56.287 -0.157 0.000 0.920 525 K CB -0.189 32.337 32.500 0.044 0.000 1.033 525 K HN 0.250 nan 8.250 nan 0.000 0.478 526 P HA 0.030 nan 4.420 nan 0.000 0.275 526 P C 0.318 177.661 177.300 0.070 0.000 1.270 526 P CA -0.147 62.980 63.100 0.043 0.000 0.791 526 P CB 0.408 32.105 31.700 -0.004 0.000 1.089 527 L N -0.910 120.277 121.223 -0.060 0.000 2.492 527 L HA -0.040 4.300 4.340 -0.001 0.000 0.223 527 L C 1.926 178.677 176.870 -0.199 0.000 1.132 527 L CA 0.848 55.549 54.840 -0.233 0.000 0.850 527 L CB -1.104 40.824 42.059 -0.217 0.000 0.966 527 L HN 0.382 nan 8.230 nan 0.000 0.454 528 T N -0.703 113.790 114.554 -0.101 0.000 2.595 528 T HA -0.226 4.123 4.350 -0.001 0.000 0.264 528 T C 2.056 176.727 174.700 -0.048 0.000 1.058 528 T CA 2.036 64.092 62.100 -0.073 0.000 1.166 528 T CB -0.204 68.643 68.868 -0.035 0.000 0.863 528 T HN 0.179 nan 8.240 nan 0.000 0.415 529 S N 0.681 116.380 115.700 -0.001 0.000 2.500 529 S HA -0.012 4.458 4.470 -0.001 0.000 0.239 529 S C 1.782 176.418 174.600 0.059 0.000 0.989 529 S CA 0.239 58.467 58.200 0.047 0.000 0.951 529 S CB -0.450 62.799 63.200 0.082 0.000 0.759 529 S HN 0.307 nan 8.310 nan 0.000 0.523 530 L N 0.534 121.713 121.223 -0.073 0.000 1.988 530 L HA 0.225 4.565 4.340 -0.001 0.000 0.207 530 L C 1.646 178.444 176.870 -0.121 0.000 1.071 530 L CA 2.526 57.212 54.840 -0.257 0.000 0.744 530 L CB -0.681 40.911 42.059 -0.777 0.000 0.893 530 L HN 0.357 nan 8.230 nan 0.000 0.433 531 G N -2.168 106.541 108.800 -0.151 0.000 3.847 531 G HA2 0.030 3.989 3.960 -0.001 0.000 0.189 531 G HA3 0.030 3.989 3.960 -0.001 0.000 0.189 531 G C 0.030 174.854 174.900 -0.126 0.000 0.907 531 G CA -0.001 45.080 45.100 -0.033 0.000 0.893 531 G HN 0.255 nan 8.290 nan 0.000 0.379 532 L N 2.058 123.082 121.223 -0.332 0.000 2.473 532 L HA 0.395 4.734 4.340 -0.001 0.000 0.268 532 L C -1.873 174.844 176.870 -0.256 0.000 1.215 532 L CA -1.709 52.830 54.840 -0.501 0.000 0.823 532 L CB -0.060 41.441 42.059 -0.931 0.000 1.099 532 L HN -0.007 nan 8.230 nan 0.000 0.483 533 P HA 0.100 nan 4.420 nan 0.000 0.274 533 P C -2.164 175.088 177.300 -0.080 0.000 1.264 533 P CA -1.095 61.983 63.100 -0.037 0.000 0.795 533 P CB -0.281 31.469 31.700 0.083 0.000 1.064 534 P HA -0.143 nan 4.420 nan 0.000 0.234 534 P C 0.394 177.677 177.300 -0.029 0.000 1.162 534 P CA 0.984 64.067 63.100 -0.029 0.000 0.759 534 P CB -0.717 30.982 31.700 -0.001 0.000 0.813 535 D N -0.948 119.431 120.400 -0.035 0.000 2.354 535 D HA -0.159 4.480 4.640 -0.001 0.000 0.216 535 D C 1.453 177.714 176.300 -0.064 0.000 0.970 535 D CA 0.613 54.604 54.000 -0.015 0.000 0.905 535 D CB -1.252 39.558 40.800 0.016 0.000 0.903 535 D HN 0.164 nan 8.370 nan 0.000 0.508 536 V N -2.015 117.833 119.914 -0.110 0.000 3.171 536 V HA -0.370 3.749 4.120 -0.001 0.000 0.273 536 V C 1.871 177.945 176.094 -0.034 0.000 1.187 536 V CA 1.568 63.804 62.300 -0.106 0.000 1.191 536 V CB -1.392 30.371 31.823 -0.100 0.000 0.808 536 V HN 0.234 nan 8.190 nan 0.000 0.549 537 Q N 1.500 121.295 119.800 -0.008 0.000 2.082 537 Q HA -0.172 4.167 4.340 -0.001 0.000 0.211 537 Q C 1.279 177.302 176.000 0.038 0.000 1.002 537 Q CA 2.515 58.332 55.803 0.023 0.000 0.868 537 Q CB -0.112 28.647 28.738 0.034 0.000 0.931 537 Q HN 0.991 nan 8.270 nan 0.000 0.414 538 R N -2.444 118.077 120.500 0.034 0.000 2.728 538 R HA 0.610 4.949 4.340 -0.001 0.000 0.274 538 R C -1.544 174.776 176.300 0.034 0.000 1.030 538 R CA -0.703 55.430 56.100 0.054 0.000 0.876 538 R CB 1.089 31.430 30.300 0.069 0.000 1.259 538 R HN -0.088 nan 8.270 nan 0.000 0.468 539 V N 0.140 120.079 119.914 0.043 0.000 3.158 539 V HA 0.335 4.455 4.120 -0.001 0.000 0.315 539 V C -0.412 175.712 176.094 0.049 0.000 1.148 539 V CA -0.468 61.834 62.300 0.003 0.000 1.042 539 V CB 2.082 33.836 31.823 -0.116 0.000 1.101 539 V HN 0.930 nan 8.190 nan 0.000 0.448 540 D N 0.034 120.476 120.400 0.070 0.000 2.753 540 D HA 0.517 5.156 4.640 -0.001 0.000 0.291 540 D C 0.152 176.512 176.300 0.100 0.000 1.075 540 D CA 1.056 55.119 54.000 0.105 0.000 0.946 540 D CB 1.642 42.535 40.800 0.155 0.000 1.376 540 D HN 0.666 nan 8.370 nan 0.000 0.482 541 A N -0.013 122.892 122.820 0.142 0.000 2.601 541 A HA 0.760 5.079 4.320 -0.001 0.000 0.291 541 A C -1.743 175.979 177.584 0.230 0.000 1.075 541 A CA 0.039 52.174 52.037 0.164 0.000 0.671 541 A CB 1.604 20.712 19.000 0.179 0.000 1.277 541 A HN 0.188 nan 8.150 nan 0.000 0.417 542 A N -0.129 122.826 122.820 0.225 0.000 2.608 542 A HA 0.999 5.318 4.320 -0.001 0.000 0.292 542 A C -0.985 176.818 177.584 0.366 0.000 1.066 542 A CA 0.134 52.313 52.037 0.236 0.000 0.676 542 A CB 0.766 19.716 19.000 -0.084 0.000 1.277 542 A HN 2.492 nan 8.150 nan 0.000 0.413 543 F N -0.504 119.405 119.950 -0.068 0.000 3.332 543 F HA 0.673 5.199 4.527 -0.001 0.000 0.327 543 F C -1.116 174.611 175.800 -0.122 0.000 1.128 543 F CA -0.720 57.237 58.000 -0.072 0.000 0.854 543 F CB 0.446 39.460 39.000 0.023 0.000 1.500 543 F HN 0.875 nan 8.300 nan 0.000 0.485 544 N N -0.857 117.674 118.700 -0.281 0.000 2.362 544 N HA 0.546 5.285 4.740 -0.001 0.000 0.299 544 N C -1.922 173.548 175.510 -0.066 0.000 1.170 544 N CA -0.733 52.154 53.050 -0.271 0.000 0.825 544 N CB 1.762 40.246 38.487 -0.005 0.000 1.299 544 N HN 0.689 nan 8.380 nan 0.000 0.502 545 W N 0.553 121.796 121.300 -0.094 0.000 2.251 545 W HA 0.306 4.966 4.660 -0.001 0.000 0.329 545 W C 0.679 177.299 176.519 0.169 0.000 1.234 545 W CA -0.347 57.092 57.345 0.158 0.000 1.228 545 W CB 1.371 30.954 29.460 0.205 0.000 1.135 545 W HN 0.623 nan 8.180 nan 0.000 0.576 546 S N 1.933 117.741 115.700 0.180 0.000 2.593 546 S HA -0.006 4.463 4.470 -0.001 0.000 0.217 546 S C 1.336 176.057 174.600 0.201 0.000 0.966 546 S CA 0.332 58.611 58.200 0.132 0.000 0.914 546 S CB 0.080 63.284 63.200 0.007 0.000 0.776 546 S HN 0.546 nan 8.310 nan 0.000 0.523 547 K N 0.542 121.202 120.400 0.434 0.000 2.705 547 K HA 0.131 4.450 4.320 -0.001 0.000 0.197 547 K C 1.209 178.075 176.600 0.443 0.000 1.624 547 K CA 0.391 56.940 56.287 0.437 0.000 1.197 547 K CB -0.142 32.634 32.500 0.459 0.000 1.603 547 K HN 0.184 nan 8.250 nan 0.000 0.597 548 N N 1.566 120.647 118.700 0.634 0.000 2.395 548 N HA -0.026 4.713 4.740 -0.001 0.000 0.175 548 N C -0.440 175.157 175.510 0.145 0.000 1.029 548 N CA 1.069 54.200 53.050 0.135 0.000 0.897 548 N CB 0.175 38.392 38.487 -0.449 0.000 0.991 548 N HN 0.109 nan 8.380 nan 0.000 0.441 549 K N -0.556 120.018 120.400 0.290 0.000 3.125 549 K HA -0.181 4.138 4.320 -0.001 0.000 0.268 549 K C -0.833 175.807 176.600 0.066 0.000 1.078 549 K CA 0.647 57.037 56.287 0.172 0.000 0.775 549 K CB -1.099 31.471 32.500 0.117 0.000 1.253 549 K HN 0.367 nan 8.250 nan 0.000 0.486 550 K N -0.595 119.834 120.400 0.048 0.000 2.349 550 K HA 0.466 4.786 4.320 -0.001 0.000 0.243 550 K C -0.181 176.288 176.600 -0.219 0.000 1.058 550 K CA -0.902 55.309 56.287 -0.126 0.000 0.871 550 K CB 1.769 34.109 32.500 -0.267 0.000 1.337 550 K HN -0.093 nan 8.250 nan 0.000 0.469 551 T N 1.034 115.372 114.554 -0.360 0.000 2.824 551 T HA 0.427 4.777 4.350 -0.001 0.000 0.280 551 T C -1.389 172.950 174.700 -0.602 0.000 0.995 551 T CA -0.335 61.484 62.100 -0.468 0.000 1.009 551 T CB 0.231 68.888 68.868 -0.353 0.000 0.955 551 T HN 0.251 nan 8.240 nan 0.000 0.452 552 Y N 2.665 122.691 120.300 -0.456 0.000 2.376 552 Y HA 0.472 5.022 4.550 -0.001 0.000 0.326 552 Y C 0.131 175.791 175.900 -0.400 0.000 0.970 552 Y CA -0.839 57.070 58.100 -0.318 0.000 1.248 552 Y CB 0.735 39.163 38.460 -0.052 0.000 1.117 552 Y HN 0.492 nan 8.280 nan 0.000 0.476 553 I N 5.301 125.741 120.570 -0.218 0.000 2.269 553 I HA 0.186 4.355 4.170 -0.001 0.000 0.293 553 I C -0.850 175.277 176.117 0.017 0.000 1.106 553 I CA -0.326 60.873 61.300 -0.169 0.000 1.248 553 I CB -0.070 37.783 38.000 -0.244 0.000 1.444 553 I HN 0.374 nan 8.210 nan 0.000 0.497 554 F N 5.150 125.295 119.950 0.324 0.000 2.438 554 F HA 0.548 5.075 4.527 -0.001 0.000 0.356 554 F C 0.701 176.670 175.800 0.281 0.000 1.099 554 F CA -0.398 57.825 58.000 0.372 0.000 1.185 554 F CB 1.001 40.186 39.000 0.308 0.000 1.115 554 F HN 0.458 nan 8.300 nan 0.000 0.526 555 A N 3.123 126.268 122.820 0.542 0.000 2.611 555 A HA 0.669 4.988 4.320 -0.001 0.000 0.282 555 A C 0.121 177.951 177.584 0.409 0.000 1.114 555 A CA -0.046 52.243 52.037 0.421 0.000 0.800 555 A CB 0.333 19.557 19.000 0.373 0.000 1.325 555 A HN 1.496 nan 8.150 nan 0.000 0.411 556 G N 2.754 111.722 108.800 0.280 0.000 2.499 556 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.232 556 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.232 556 G C 0.272 175.291 174.900 0.199 0.000 1.251 556 G CA 0.973 46.202 45.100 0.215 0.000 0.917 556 G HN 1.444 nan 8.290 nan 0.000 0.580 557 D N 0.893 121.387 120.400 0.156 0.000 2.347 557 D HA 0.118 4.757 4.640 -0.001 0.000 0.213 557 D C 1.025 177.430 176.300 0.174 0.000 0.985 557 D CA 1.495 55.580 54.000 0.142 0.000 0.879 557 D CB -0.070 40.789 40.800 0.099 0.000 0.919 557 D HN 0.887 nan 8.370 nan 0.000 0.526 558 K N 0.626 121.113 120.400 0.145 0.000 2.270 558 K HA 0.457 4.777 4.320 -0.001 0.000 0.255 558 K C -0.555 176.106 176.600 0.102 0.000 0.936 558 K CA -1.038 55.278 56.287 0.049 0.000 0.809 558 K CB 1.704 34.042 32.500 -0.271 0.000 1.131 558 K HN 0.022 nan 8.250 nan 0.000 0.427 559 F N -0.125 119.864 119.950 0.066 0.000 2.411 559 F HA 0.655 5.181 4.527 -0.001 0.000 0.324 559 F C -0.432 175.307 175.800 -0.101 0.000 1.086 559 F CA -0.982 57.133 58.000 0.190 0.000 1.028 559 F CB 0.737 40.028 39.000 0.485 0.000 1.284 559 F HN 0.502 nan 8.300 nan 0.000 0.501 560 W N 0.640 121.819 121.300 -0.202 0.000 3.021 560 W HA 0.614 5.273 4.660 -0.001 0.000 0.337 560 W C -0.573 175.569 176.519 -0.628 0.000 1.171 560 W CA -0.760 56.308 57.345 -0.462 0.000 1.060 560 W CB 2.131 31.417 29.460 -0.291 0.000 1.472 560 W HN 0.365 nan 8.180 nan 0.000 0.594 561 R N 0.891 121.081 120.500 -0.517 0.000 2.698 561 R HA 0.417 4.756 4.340 -0.001 0.000 0.275 561 R C -2.108 174.031 176.300 -0.268 0.000 1.001 561 R CA -0.778 54.894 56.100 -0.713 0.000 0.896 561 R CB 2.437 31.932 30.300 -1.342 0.000 1.218 561 R HN 0.472 nan 8.270 nan 0.000 0.462 562 Y N 0.884 120.923 120.300 -0.436 0.000 2.544 562 Y HA 0.336 4.885 4.550 -0.001 0.000 0.342 562 Y C -1.104 174.662 175.900 -0.223 0.000 1.062 562 Y CA -1.350 56.597 58.100 -0.254 0.000 1.023 562 Y CB 1.768 40.116 38.460 -0.188 0.000 1.308 562 Y HN 0.543 nan 8.280 nan 0.000 0.457 563 N N 3.984 122.337 118.700 -0.578 0.000 2.602 563 N HA 0.167 4.906 4.740 -0.001 0.000 0.238 563 N C 0.105 175.366 175.510 -0.415 0.000 1.084 563 N CA -0.300 52.500 53.050 -0.417 0.000 0.952 563 N CB 0.722 39.011 38.487 -0.331 0.000 1.244 563 N HN 0.457 nan 8.380 nan 0.000 0.512 564 E N 0.531 120.602 120.200 -0.214 0.000 2.511 564 E HA -0.036 4.314 4.350 -0.001 0.000 0.196 564 E C 1.186 177.750 176.600 -0.060 0.000 1.066 564 E CA 0.315 56.669 56.400 -0.076 0.000 0.871 564 E CB 0.218 29.937 29.700 0.032 0.000 0.863 564 E HN 0.543 nan 8.360 nan 0.000 0.520 565 V N -3.441 116.416 119.914 -0.096 0.000 3.605 565 V HA 0.347 4.467 4.120 -0.001 0.000 0.284 565 V C 0.506 176.556 176.094 -0.074 0.000 1.386 565 V CA -0.045 62.218 62.300 -0.061 0.000 1.053 565 V CB 0.188 31.980 31.823 -0.051 0.000 0.857 565 V HN -0.118 nan 8.190 nan 0.000 0.436 566 K N -0.380 119.948 120.400 -0.119 0.000 2.533 566 K HA 0.428 4.747 4.320 -0.001 0.000 0.284 566 K C -0.251 176.249 176.600 -0.167 0.000 1.025 566 K CA -0.563 55.657 56.287 -0.112 0.000 0.900 566 K CB 2.451 34.891 32.500 -0.099 0.000 1.519 566 K HN -0.164 nan 8.250 nan 0.000 0.432 567 K N 1.205 121.532 120.400 -0.121 0.000 2.314 567 K HA 0.071 4.391 4.320 -0.001 0.000 0.198 567 K C 0.023 176.540 176.600 -0.139 0.000 1.045 567 K CA 0.776 56.990 56.287 -0.121 0.000 0.988 567 K CB 0.318 32.793 32.500 -0.042 0.000 0.783 567 K HN 0.315 nan 8.250 nan 0.000 0.484 568 K N 0.396 120.727 120.400 -0.115 0.000 2.244 568 K HA 0.022 4.341 4.320 -0.001 0.000 0.242 568 K C 0.119 176.655 176.600 -0.106 0.000 1.082 568 K CA 0.019 56.257 56.287 -0.081 0.000 0.841 568 K CB 0.138 32.604 32.500 -0.058 0.000 1.129 568 K HN -0.057 nan 8.250 nan 0.000 0.516 569 M N 0.190 119.766 119.600 -0.039 0.000 2.550 569 M HA 0.242 4.721 4.480 -0.001 0.000 0.292 569 M C -1.896 174.425 176.300 0.035 0.000 1.221 569 M CA -0.434 54.866 55.300 0.001 0.000 0.873 569 M CB 2.280 34.921 32.600 0.068 0.000 1.727 569 M HN 0.405 nan 8.290 nan 0.000 0.459 570 D N 3.953 124.401 120.400 0.080 0.000 2.345 570 D HA 0.397 5.036 4.640 -0.001 0.000 0.247 570 D C -2.361 174.059 176.300 0.200 0.000 1.108 570 D CA -0.378 53.721 54.000 0.164 0.000 0.894 570 D CB 0.578 41.558 40.800 0.301 0.000 1.203 570 D HN 0.385 nan 8.370 nan 0.000 0.430 571 P HA 0.075 nan 4.420 nan 0.000 0.264 571 P C 0.180 177.462 177.300 -0.030 0.000 1.179 571 P CA 0.061 63.171 63.100 0.017 0.000 0.763 571 P CB 0.352 32.031 31.700 -0.036 0.000 0.806 572 G N 2.492 111.276 108.800 -0.028 0.000 2.088 572 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.236 572 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.236 572 G C -0.431 174.341 174.900 -0.214 0.000 0.582 572 G CA -0.075 44.982 45.100 -0.073 0.000 1.030 572 G HN 0.282 nan 8.290 nan 0.000 0.395 573 F N 1.705 121.600 119.950 -0.092 0.000 2.432 573 F HA 0.553 5.079 4.527 -0.001 0.000 0.329 573 F C -1.607 174.110 175.800 -0.139 0.000 1.076 573 F CA -2.364 55.488 58.000 -0.248 0.000 1.018 573 F CB 2.054 40.883 39.000 -0.285 0.000 1.201 573 F HN 0.105 nan 8.300 nan 0.000 0.489 574 P HA 0.240 nan 4.420 nan 0.000 0.293 574 P C -1.618 175.441 177.300 -0.402 0.000 1.313 574 P CA -0.747 62.010 63.100 -0.571 0.000 0.787 574 P CB 0.729 31.953 31.700 -0.793 0.000 0.910 575 K N 3.522 123.661 120.400 -0.435 0.000 2.203 575 K HA 0.514 4.834 4.320 -0.001 0.000 0.251 575 K C -0.567 175.949 176.600 -0.140 0.000 0.944 575 K CA -0.955 55.169 56.287 -0.273 0.000 0.829 575 K CB 1.077 33.400 32.500 -0.294 0.000 1.125 575 K HN 0.163 nan 8.250 nan 0.000 0.430 576 L N 2.353 123.592 121.223 0.027 0.000 2.475 576 L HA 0.143 4.482 4.340 -0.001 0.000 0.250 576 L C 1.678 178.814 176.870 0.443 0.000 1.224 576 L CA -0.340 54.611 54.840 0.184 0.000 0.821 576 L CB 0.213 42.334 42.059 0.105 0.000 1.141 576 L HN 0.671 nan 8.230 nan 0.000 0.494 577 I N 0.723 121.539 120.570 0.410 0.000 3.164 577 I HA -0.211 3.958 4.170 -0.001 0.000 0.278 577 I C 2.135 178.348 176.117 0.160 0.000 1.320 577 I CA 0.680 62.154 61.300 0.290 0.000 1.422 577 I CB -0.666 37.473 38.000 0.231 0.000 1.066 577 I HN 0.762 nan 8.210 nan 0.000 0.503 578 A N 0.566 123.476 122.820 0.151 0.000 2.234 578 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 578 A C 1.595 179.212 177.584 0.055 0.000 1.167 578 A CA 1.636 53.721 52.037 0.080 0.000 0.698 578 A CB -0.371 18.665 19.000 0.060 0.000 0.779 578 A HN 0.392 nan 8.150 nan 0.000 0.475 579 D N -1.183 119.257 120.400 0.067 0.000 3.013 579 D HA 0.328 4.967 4.640 -0.001 0.000 0.256 579 D C 2.234 178.502 176.300 -0.055 0.000 1.573 579 D CA 1.049 55.059 54.000 0.016 0.000 1.197 579 D CB -0.729 40.098 40.800 0.046 0.000 1.041 579 D HN 0.219 nan 8.370 nan 0.000 0.304 580 A N 0.483 123.203 122.820 -0.166 0.000 1.861 580 A HA 0.050 4.369 4.320 -0.001 0.000 0.212 580 A C 0.607 178.036 177.584 -0.259 0.000 1.199 580 A CA 0.247 52.099 52.037 -0.308 0.000 0.613 580 A CB -0.903 17.770 19.000 -0.545 0.000 0.846 580 A HN 0.261 nan 8.150 nan 0.000 0.446 581 W N 0.500 121.689 121.300 -0.185 0.000 2.158 581 W HA 0.299 4.959 4.660 -0.001 0.000 0.339 581 W C 0.830 177.251 176.519 -0.163 0.000 1.294 581 W CA -0.333 56.889 57.345 -0.205 0.000 1.231 581 W CB 0.468 29.754 29.460 -0.289 0.000 1.143 581 W HN 0.416 nan 8.180 nan 0.000 0.571 582 N N 1.091 119.867 118.700 0.127 0.000 2.528 582 N HA 0.139 4.878 4.740 -0.001 0.000 0.208 582 N C 1.716 177.190 175.510 -0.061 0.000 1.218 582 N CA 0.194 53.253 53.050 0.015 0.000 1.112 582 N CB -0.484 38.011 38.487 0.013 0.000 1.423 582 N HN 0.432 nan 8.380 nan 0.000 0.497 583 A N 0.892 123.649 122.820 -0.105 0.000 1.978 583 A HA -0.014 4.305 4.320 -0.001 0.000 0.220 583 A C 0.517 177.987 177.584 -0.190 0.000 1.170 583 A CA 0.835 52.795 52.037 -0.128 0.000 0.636 583 A CB -1.134 17.792 19.000 -0.123 0.000 0.810 583 A HN 0.366 nan 8.150 nan 0.000 0.448 584 I N 1.592 121.955 120.570 -0.345 0.000 3.298 584 I HA -0.086 4.084 4.170 -0.001 0.000 0.327 584 I C -1.963 174.003 176.117 -0.252 0.000 1.247 584 I CA -0.301 60.702 61.300 -0.495 0.000 1.416 584 I CB -0.224 37.269 38.000 -0.845 0.000 1.360 584 I HN 0.172 nan 8.210 nan 0.000 0.507 585 P HA 0.095 nan 4.420 nan 0.000 0.274 585 P C -0.956 176.319 177.300 -0.042 0.000 1.256 585 P CA -0.544 62.514 63.100 -0.070 0.000 0.795 585 P CB 0.419 32.107 31.700 -0.020 0.000 1.038 586 D N 1.324 121.729 120.400 0.009 0.000 2.425 586 D HA -0.009 4.630 4.640 -0.001 0.000 0.247 586 D C -0.198 176.132 176.300 0.050 0.000 1.147 586 D CA 0.167 54.194 54.000 0.045 0.000 0.879 586 D CB -0.297 40.537 40.800 0.057 0.000 1.179 586 D HN 0.321 nan 8.370 nan 0.000 0.456 587 N N 1.445 120.194 118.700 0.082 0.000 2.527 587 N HA -0.176 4.563 4.740 -0.001 0.000 0.293 587 N C -0.656 174.887 175.510 0.055 0.000 1.283 587 N CA 0.489 53.596 53.050 0.095 0.000 0.702 587 N CB -0.748 37.800 38.487 0.100 0.000 0.937 587 N HN 0.502 nan 8.380 nan 0.000 0.536 588 L N 1.661 122.898 121.223 0.024 0.000 2.326 588 L HA 0.201 4.540 4.340 -0.001 0.000 0.278 588 L C 1.477 178.378 176.870 0.051 0.000 1.092 588 L CA -0.795 54.053 54.840 0.014 0.000 0.810 588 L CB 0.752 42.784 42.059 -0.044 0.000 1.153 588 L HN 0.231 nan 8.230 nan 0.000 0.439 589 D N 2.071 122.512 120.400 0.069 0.000 2.182 589 D HA -0.034 4.605 4.640 -0.001 0.000 0.201 589 D C 0.621 176.946 176.300 0.041 0.000 0.986 589 D CA 1.137 55.178 54.000 0.067 0.000 0.847 589 D CB 0.286 41.131 40.800 0.075 0.000 0.942 589 D HN 0.609 nan 8.370 nan 0.000 0.467 590 A N -0.839 122.012 122.820 0.053 0.000 2.586 590 A HA 0.572 4.891 4.320 -0.001 0.000 0.290 590 A C -1.673 175.910 177.584 -0.003 0.000 1.086 590 A CA -0.664 51.356 52.037 -0.028 0.000 0.665 590 A CB 1.578 20.421 19.000 -0.262 0.000 1.279 590 A HN -0.101 nan 8.150 nan 0.000 0.423 591 V N -0.035 119.786 119.914 -0.154 0.000 2.777 591 V HA 0.675 4.794 4.120 -0.001 0.000 0.306 591 V C -0.901 174.991 176.094 -0.338 0.000 1.112 591 V CA -0.576 61.427 62.300 -0.496 0.000 0.917 591 V CB 1.542 32.759 31.823 -1.009 0.000 1.018 591 V HN 0.955 nan 8.190 nan 0.000 0.426 592 V N 2.532 122.286 119.914 -0.266 0.000 2.760 592 V HA 0.612 4.731 4.120 -0.001 0.000 0.309 592 V C -1.423 174.710 176.094 0.064 0.000 1.077 592 V CA -0.561 61.724 62.300 -0.025 0.000 0.910 592 V CB 2.470 34.332 31.823 0.064 0.000 1.008 592 V HN 0.938 nan 8.190 nan 0.000 0.424 593 D N 3.666 124.156 120.400 0.150 0.000 2.408 593 D HA 0.670 5.309 4.640 -0.001 0.000 0.243 593 D C -0.401 176.025 176.300 0.209 0.000 1.075 593 D CA -0.195 53.912 54.000 0.179 0.000 0.832 593 D CB 1.789 42.703 40.800 0.190 0.000 1.162 593 D HN 0.313 nan 8.370 nan 0.000 0.515 594 L N 0.667 122.032 121.223 0.236 0.000 2.416 594 L HA 0.423 4.763 4.340 -0.001 0.000 0.263 594 L C 0.795 177.752 176.870 0.144 0.000 1.065 594 L CA -1.118 53.834 54.840 0.187 0.000 0.798 594 L CB 0.743 42.907 42.059 0.173 0.000 1.267 594 L HN 0.283 nan 8.230 nan 0.000 0.467 595 Q N 0.712 120.578 119.800 0.110 0.000 2.263 595 Q HA 0.266 4.605 4.340 -0.001 0.000 0.289 595 Q C 0.432 176.488 176.000 0.092 0.000 1.061 595 Q CA 0.839 56.696 55.803 0.091 0.000 0.927 595 Q CB 0.373 29.153 28.738 0.071 0.000 1.154 595 Q HN 0.763 nan 8.270 nan 0.000 0.378 596 G N 3.015 111.864 108.800 0.082 0.000 2.598 596 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.269 596 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.269 596 G C 0.709 175.661 174.900 0.087 0.000 1.289 596 G CA 0.050 45.193 45.100 0.072 0.000 0.926 596 G HN 1.773 nan 8.290 nan 0.000 0.567 597 G N -1.821 107.026 108.800 0.079 0.000 4.148 597 G HA2 0.270 4.230 3.960 -0.001 0.000 0.221 597 G HA3 0.270 4.230 3.960 -0.001 0.000 0.221 597 G C 1.801 176.494 174.900 -0.344 0.000 1.373 597 G CA 2.176 47.324 45.100 0.080 0.000 0.940 597 G HN 3.178 nan 8.290 nan 0.000 0.610 598 G N -1.155 107.507 108.800 -0.229 0.000 2.141 598 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.231 598 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.231 598 G C -0.004 174.656 174.900 -0.400 0.000 0.984 598 G CA 1.117 46.045 45.100 -0.287 0.000 0.660 598 G HN 1.730 nan 8.290 nan 0.000 0.525 599 H N 0.671 119.675 119.070 -0.110 0.000 2.473 599 H HA 0.632 5.187 4.556 -0.001 0.000 0.327 599 H C 0.427 175.593 175.328 -0.270 0.000 1.105 599 H CA 0.073 55.976 56.048 -0.243 0.000 1.280 599 H CB 1.629 31.176 29.762 -0.358 0.000 1.450 599 H HN 0.350 nan 8.280 nan 0.000 0.492 600 S N 2.413 117.962 115.700 -0.251 0.000 2.622 600 S HA 0.301 4.770 4.470 -0.001 0.000 0.283 600 S C -0.939 173.394 174.600 -0.444 0.000 1.197 600 S CA -1.008 56.991 58.200 -0.334 0.000 1.146 600 S CB -0.410 62.511 63.200 -0.466 0.000 1.007 600 S HN 0.435 nan 8.310 nan 0.000 0.478 601 Y N 2.197 122.348 120.300 -0.248 0.000 2.526 601 Y HA 0.366 4.915 4.550 -0.001 0.000 0.330 601 Y C 0.079 175.576 175.900 -0.672 0.000 1.156 601 Y CA -0.309 57.603 58.100 -0.314 0.000 1.419 601 Y CB 0.219 38.537 38.460 -0.237 0.000 1.250 601 Y HN 0.583 nan 8.280 nan 0.000 0.540 602 F N 3.161 122.833 119.950 -0.464 0.000 2.469 602 F HA 0.522 5.048 4.527 -0.001 0.000 0.332 602 F C -0.823 174.659 175.800 -0.529 0.000 1.103 602 F CA -1.061 56.661 58.000 -0.464 0.000 0.979 602 F CB 0.905 39.616 39.000 -0.481 0.000 1.137 602 F HN 0.203 nan 8.300 nan 0.000 0.463 603 F N 2.264 122.168 119.950 -0.077 0.000 2.495 603 F HA 0.683 5.209 4.527 -0.001 0.000 0.327 603 F C -0.350 175.430 175.800 -0.035 0.000 1.103 603 F CA -0.932 57.027 58.000 -0.068 0.000 0.949 603 F CB 2.066 40.959 39.000 -0.178 0.000 1.142 603 F HN 0.389 nan 8.300 nan 0.000 0.457 604 K N 0.700 121.186 120.400 0.143 0.000 2.607 604 K HA 0.757 5.076 4.320 -0.001 0.000 0.287 604 K C 0.109 176.704 176.600 -0.009 0.000 0.996 604 K CA -0.570 55.760 56.287 0.071 0.000 0.876 604 K CB 1.408 33.944 32.500 0.060 0.000 1.496 604 K HN 0.917 nan 8.250 nan 0.000 0.415 605 G N 0.913 109.671 108.800 -0.070 0.000 2.632 605 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.322 605 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.322 605 G C 0.721 175.457 174.900 -0.273 0.000 1.326 605 G CA 0.949 45.917 45.100 -0.221 0.000 0.986 605 G HN 1.453 nan 8.290 nan 0.000 0.541 606 A N -0.641 121.849 122.820 -0.550 0.000 2.387 606 A HA 0.657 4.977 4.320 -0.001 0.000 0.234 606 A C 0.240 177.688 177.584 -0.226 0.000 1.253 606 A CA 1.360 53.194 52.037 -0.339 0.000 0.894 606 A CB -0.080 18.758 19.000 -0.269 0.000 0.963 606 A HN 1.547 nan 8.150 nan 0.000 0.508 607 Y N -2.974 117.320 120.300 -0.010 0.000 2.588 607 Y HA 0.662 5.211 4.550 -0.001 0.000 0.343 607 Y C -0.475 175.292 175.900 -0.222 0.000 1.065 607 Y CA -2.817 55.173 58.100 -0.184 0.000 1.038 607 Y CB 0.132 38.291 38.460 -0.502 0.000 1.297 607 Y HN 0.231 nan 8.280 nan 0.000 0.467 608 Y N 0.455 120.620 120.300 -0.225 0.000 2.618 608 Y HA 0.885 5.434 4.550 -0.001 0.000 0.326 608 Y C -1.585 174.122 175.900 -0.321 0.000 1.168 608 Y CA -2.208 55.665 58.100 -0.377 0.000 1.269 608 Y CB 1.240 39.312 38.460 -0.647 0.000 1.388 608 Y HN 0.680 nan 8.280 nan 0.000 0.528 609 L N 2.305 123.485 121.223 -0.073 0.000 2.504 609 L HA 0.390 4.729 4.340 -0.001 0.000 0.265 609 L C -0.718 176.188 176.870 0.059 0.000 0.975 609 L CA -0.720 54.096 54.840 -0.038 0.000 0.864 609 L CB 1.409 43.454 42.059 -0.023 0.000 1.212 609 L HN 0.796 nan 8.230 nan 0.000 0.416 610 K N 4.815 125.257 120.400 0.070 0.000 2.379 610 K HA 0.305 4.624 4.320 -0.001 0.000 0.284 610 K C -1.265 175.276 176.600 -0.099 0.000 1.044 610 K CA -0.295 55.937 56.287 -0.092 0.000 0.974 610 K CB 0.597 33.054 32.500 -0.071 0.000 0.962 610 K HN 0.491 nan 8.250 nan 0.000 0.474 611 L N 3.642 124.783 121.223 -0.136 0.000 2.334 611 L HA 0.363 4.703 4.340 -0.001 0.000 0.276 611 L C -0.843 175.984 176.870 -0.072 0.000 1.014 611 L CA -0.510 54.295 54.840 -0.059 0.000 0.815 611 L CB 1.622 43.710 42.059 0.049 0.000 1.268 611 L HN 0.799 nan 8.230 nan 0.000 0.428 612 E N 2.717 122.897 120.200 -0.035 0.000 2.109 612 E HA 0.254 4.603 4.350 -0.001 0.000 0.278 612 E C 0.359 176.916 176.600 -0.072 0.000 0.954 612 E CA -0.186 56.173 56.400 -0.068 0.000 0.779 612 E CB 0.769 30.455 29.700 -0.023 0.000 1.093 612 E HN 0.468 nan 8.360 nan 0.000 0.401 613 N N 3.298 121.884 118.700 -0.190 0.000 2.106 613 N HA -0.148 4.591 4.740 -0.001 0.000 0.188 613 N C 1.006 176.530 175.510 0.023 0.000 1.029 613 N CA 1.063 53.956 53.050 -0.262 0.000 0.848 613 N CB 0.108 38.306 38.487 -0.482 0.000 1.007 613 N HN 0.618 nan 8.380 nan 0.000 0.423 614 Q N 0.297 120.092 119.800 -0.008 0.000 2.197 614 Q HA -0.082 4.257 4.340 -0.001 0.000 0.207 614 Q C 0.266 176.312 176.000 0.078 0.000 0.984 614 Q CA 1.012 56.843 55.803 0.048 0.000 0.869 614 Q CB -0.023 28.712 28.738 -0.005 0.000 0.906 614 Q HN 0.265 nan 8.270 nan 0.000 0.426 615 S N -0.531 115.207 115.700 0.063 0.000 2.775 615 S HA 0.303 4.772 4.470 -0.001 0.000 0.277 615 S C -0.434 174.220 174.600 0.091 0.000 1.156 615 S CA -0.783 57.461 58.200 0.074 0.000 1.081 615 S CB 0.813 64.038 63.200 0.043 0.000 1.054 615 S HN 0.166 nan 8.310 nan 0.000 0.482 616 L N 4.175 125.482 121.223 0.140 0.000 2.652 616 L HA 0.149 4.488 4.340 -0.001 0.000 0.284 616 L C 0.895 177.828 176.870 0.106 0.000 1.204 616 L CA 0.440 55.385 54.840 0.175 0.000 1.105 616 L CB -0.719 41.450 42.059 0.183 0.000 1.393 616 L HN 0.879 nan 8.230 nan 0.000 0.452 617 K N 0.433 120.877 120.400 0.072 0.000 2.737 617 K HA 0.297 4.616 4.320 -0.001 0.000 0.222 617 K C 0.129 176.730 176.600 0.002 0.000 1.609 617 K CA -0.138 56.168 56.287 0.032 0.000 0.976 617 K CB 1.096 33.609 32.500 0.022 0.000 1.947 617 K HN 0.360 nan 8.250 nan 0.000 0.433 618 S N -0.574 115.123 115.700 -0.005 0.000 2.631 618 S HA 0.493 4.962 4.470 -0.001 0.000 0.267 618 S C -2.094 172.500 174.600 -0.010 0.000 1.096 618 S CA -0.400 57.785 58.200 -0.026 0.000 0.911 618 S CB 1.007 64.187 63.200 -0.034 0.000 1.175 618 S HN 0.049 nan 8.310 nan 0.000 0.478 619 V N 1.003 120.911 119.914 -0.010 0.000 3.047 619 V HA 0.440 4.559 4.120 -0.001 0.000 0.266 619 V C -0.814 175.290 176.094 0.018 0.000 1.900 619 V CA -0.646 61.659 62.300 0.008 0.000 0.937 619 V CB 1.002 32.838 31.823 0.021 0.000 1.366 619 V HN 1.388 nan 8.190 nan 0.000 0.442 620 K N 0.969 121.386 120.400 0.028 0.000 5.269 620 K HA -0.233 4.087 4.320 -0.001 0.000 0.389 620 K C -1.218 175.375 176.600 -0.012 0.000 0.851 620 K CA 0.603 56.912 56.287 0.038 0.000 1.052 620 K CB -0.556 31.994 32.500 0.083 0.000 1.961 620 K HN 0.898 nan 8.250 nan 0.000 0.344 621 F N 3.754 123.583 119.950 -0.202 0.000 2.385 621 F HA 0.591 5.118 4.527 -0.001 0.000 0.360 621 F C 0.557 176.096 175.800 -0.435 0.000 1.122 621 F CA 0.423 58.217 58.000 -0.343 0.000 1.090 621 F CB 1.129 39.957 39.000 -0.286 0.000 1.150 621 F HN 0.355 nan 8.300 nan 0.000 0.472 622 G N 2.735 110.747 108.800 -1.313 0.000 2.605 622 G HA2 0.398 4.357 3.960 -0.001 0.000 0.296 622 G HA3 0.398 4.357 3.960 -0.001 0.000 0.296 622 G C -1.463 173.017 174.900 -0.701 0.000 1.304 622 G CA -1.008 43.536 45.100 -0.928 0.000 0.941 622 G HN 0.638 nan 8.290 nan 0.000 0.475 623 S N 0.666 116.303 115.700 -0.105 0.000 2.455 623 S HA 0.089 4.559 4.470 -0.001 0.000 0.278 623 S C 1.654 176.449 174.600 0.325 0.000 1.216 623 S CA -0.566 57.703 58.200 0.116 0.000 1.055 623 S CB -0.007 63.271 63.200 0.129 0.000 0.939 623 S HN 0.509 nan 8.310 nan 0.000 0.494 624 I N 5.757 126.541 120.570 0.357 0.000 2.087 624 I HA -0.292 3.878 4.170 -0.001 0.000 0.240 624 I C 2.249 178.578 176.117 0.354 0.000 1.054 624 I CA 1.811 63.372 61.300 0.436 0.000 1.311 624 I CB -0.159 38.050 38.000 0.349 0.000 1.024 624 I HN 0.766 nan 8.210 nan 0.000 0.402 625 K N 0.032 120.569 120.400 0.228 0.000 2.074 625 K HA -0.180 4.139 4.320 -0.001 0.000 0.209 625 K C 2.120 178.801 176.600 0.134 0.000 1.048 625 K CA 2.001 58.378 56.287 0.149 0.000 0.926 625 K CB -0.329 32.214 32.500 0.070 0.000 0.713 625 K HN 0.334 nan 8.250 nan 0.000 0.444 626 S N 0.813 116.601 115.700 0.148 0.000 2.414 626 S HA -0.077 4.393 4.470 -0.001 0.000 0.227 626 S C 1.321 176.001 174.600 0.134 0.000 1.022 626 S CA 1.062 59.331 58.200 0.115 0.000 0.958 626 S CB -0.052 63.210 63.200 0.102 0.000 0.797 626 S HN 0.267 nan 8.310 nan 0.000 0.493 627 D N -0.202 120.339 120.400 0.235 0.000 2.255 627 D HA 0.063 4.703 4.640 -0.001 0.000 0.224 627 D C 0.367 176.744 176.300 0.127 0.000 0.997 627 D CA 0.719 54.840 54.000 0.203 0.000 0.906 627 D CB -0.063 40.975 40.800 0.396 0.000 1.047 627 D HN 0.288 nan 8.370 nan 0.000 0.458 628 W N 0.225 121.526 121.300 0.002 0.000 2.225 628 W HA 0.433 5.092 4.660 -0.001 0.000 0.377 628 W C 0.397 176.933 176.519 0.029 0.000 1.418 628 W CA -0.895 56.476 57.345 0.043 0.000 1.562 628 W CB -0.270 29.286 29.460 0.160 0.000 1.297 628 W HN -0.160 nan 8.180 nan 0.000 0.686 629 L N 1.799 123.119 121.223 0.161 0.000 3.660 629 L HA -0.115 4.224 4.340 -0.001 0.000 0.440 629 L C 0.667 177.443 176.870 -0.156 0.000 1.262 629 L CA 0.840 55.456 54.840 -0.373 0.000 0.837 629 L CB -1.561 40.260 42.059 -0.396 0.000 1.689 629 L HN 1.000 nan 8.230 nan 0.000 0.890 630 G N 0.496 109.246 108.800 -0.083 0.000 2.741 630 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.344 630 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.344 630 G C 0.567 175.442 174.900 -0.041 0.000 0.107 630 G CA 0.234 45.301 45.100 -0.054 0.000 1.228 630 G HN 0.846 nan 8.290 nan 0.000 0.544 631 c N 0.000 118.599 118.600 -0.002 0.000 2.653 631 c HA 0.000 4.569 4.570 -0.001 0.000 0.325 631 c CA 0.000 56.319 56.329 -0.017 0.000 1.963 631 c CB 0.000 42.501 42.510 -0.016 0.000 2.134 631 c HN 0.000 nan 8.230 nan 0.000 0.568