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 3foa_1_B DATA FIRST_RESID 22 DATA SEQUENCE NSTGTAALAG KFQWGPAFQI KQVTNEVDLV NTFGQPTAET ADYFMSAMNF DATA SEQUENCE LQYGNDLRVV RAVDRDTAKN SSPIAGNIEY TISTPGSNYA VGDKITVKYV DATA SEQUENCE SDDIETEGKI TEVDADGKIK KINIPTAKII AKAKEVGEYP TLGSNWTAEI DATA SEQUENCE SSSSSGLAAV ITLGKIITDS GILLAEIENA EAAMTAVDFQ ANLKKYGIPG DATA SEQUENCE VVALYPGELG DKIEIEIVSK ADYAKGASAL LPIYPGGGTR ASTAKAVFGY DATA SEQUENCE GPQTDSQYAI IVRRNDAIVQ SVVLSTKRGG KDIYDSNIYI DDFFAKGGSE DATA SEQUENCE YIFATAQNWP EGFSGILTLS GGLSSNAEVT AGDLMEAWDF FADRESVDVQ DATA SEQUENCE LFIAGSCAGE SLETASTVQK HVVSIGDVRQ DCLVLCSPPR ETVVGIPVTR DATA SEQUENCE AVDNLVNWRT AAGSYTDNNF NISSTYAAID GNYKYQYDKY NDVNRWVPLA DATA SEQUENCE ADIAGLCART DNVXXXXXXX XXXXRGQILN VIKLAIETP 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 22 N HA 0.000 nan 4.740 nan 0.000 0.220 22 N C 0.000 175.535 175.510 0.041 0.000 1.280 22 N CA 0.000 53.078 53.050 0.046 0.000 0.885 22 N CB 0.000 38.515 38.487 0.046 0.000 1.341 23 S N 0.016 115.740 115.700 0.041 0.000 2.571 23 S HA 0.134 4.608 4.470 0.006 0.000 0.297 23 S C 0.814 175.440 174.600 0.043 0.000 1.234 23 S CA 0.682 58.909 58.200 0.045 0.000 1.120 23 S CB -0.282 62.943 63.200 0.041 0.000 0.923 23 S HN 0.482 nan 8.310 nan 0.000 0.504 24 T N 3.808 118.392 114.554 0.050 0.000 3.412 24 T HA 0.555 4.909 4.350 0.006 0.000 0.193 24 T C 1.140 175.874 174.700 0.057 0.000 0.810 24 T CA 0.868 62.998 62.100 0.050 0.000 1.910 24 T CB -0.294 68.607 68.868 0.055 0.000 1.974 24 T HN 1.131 nan 8.240 nan 0.000 0.443 25 G N 0.415 109.260 108.800 0.074 0.000 4.251 25 G HA2 0.107 4.071 3.960 0.006 0.000 0.221 25 G HA3 0.107 4.071 3.960 0.006 0.000 0.221 25 G C -0.052 174.927 174.900 0.132 0.000 0.836 25 G CA 0.172 45.325 45.100 0.087 0.000 1.033 25 G HN 0.693 nan 8.290 nan 0.000 0.759 26 T N 1.426 116.052 114.554 0.119 0.000 2.786 26 T HA 0.753 5.107 4.350 0.006 0.000 0.283 26 T C 0.230 174.967 174.700 0.061 0.000 0.992 26 T CA 0.499 62.660 62.100 0.102 0.000 0.954 26 T CB 1.708 70.619 68.868 0.072 0.000 0.934 26 T HN 0.869 nan 8.240 nan 0.000 0.440 27 A N 2.585 125.412 122.820 0.010 0.000 2.313 27 A HA 1.009 5.333 4.320 0.006 0.000 0.323 27 A C -0.562 176.809 177.584 -0.355 0.000 1.133 27 A CA -0.904 51.017 52.037 -0.193 0.000 0.847 27 A CB 1.167 19.903 19.000 -0.441 0.000 1.308 27 A HN 1.048 nan 8.150 nan 0.000 0.475 28 A N -0.038 122.462 122.820 -0.535 0.000 2.459 28 A HA 0.638 4.961 4.320 0.006 0.000 0.296 28 A C -1.571 175.703 177.584 -0.516 0.000 1.039 28 A CA -0.312 51.290 52.037 -0.725 0.000 0.698 28 A CB 1.268 19.399 19.000 -1.449 0.000 1.261 28 A HN 1.998 nan 8.150 nan 0.000 0.405 29 L N 2.034 123.033 121.223 -0.374 0.000 2.476 29 L HA 0.893 5.236 4.340 0.006 0.000 0.269 29 L C -0.506 176.082 176.870 -0.470 0.000 0.965 29 L CA -0.241 54.479 54.840 -0.199 0.000 0.845 29 L CB 1.609 43.578 42.059 -0.150 0.000 1.259 29 L HN 1.269 nan 8.230 nan 0.000 0.403 30 A N 3.081 125.199 122.820 -1.170 0.000 2.343 30 A HA 1.037 5.360 4.320 0.006 0.000 0.316 30 A C -0.058 177.032 177.584 -0.825 0.000 1.104 30 A CA 0.214 51.518 52.037 -1.221 0.000 0.768 30 A CB 1.272 19.087 19.000 -1.974 0.000 1.213 30 A HN 1.486 nan 8.150 nan 0.000 0.456 31 G N 0.914 109.223 108.800 -0.819 0.000 2.342 31 G HA2 0.455 4.419 3.960 0.006 0.000 0.297 31 G HA3 0.455 4.419 3.960 0.006 0.000 0.297 31 G C -1.564 172.348 174.900 -1.647 0.000 1.313 31 G CA -0.990 43.397 45.100 -1.188 0.000 0.830 31 G HN 0.728 nan 8.290 nan 0.000 0.506 32 K N 0.044 119.281 120.400 -1.937 0.000 2.276 32 K HA 0.605 4.929 4.320 0.006 0.000 0.283 32 K C -1.178 174.754 176.600 -1.114 0.000 1.044 32 K CA 0.113 55.693 56.287 -1.178 0.000 0.944 32 K CB 1.092 33.140 32.500 -0.754 0.000 1.012 32 K HN 0.321 nan 8.250 nan 0.000 0.472 33 F N 0.180 120.007 119.950 -0.206 0.000 2.620 33 F HA 0.173 4.703 4.527 0.006 0.000 0.320 33 F C 1.571 177.397 175.800 0.042 0.000 1.069 33 F CA -1.012 56.974 58.000 -0.023 0.000 0.953 33 F CB 1.897 40.943 39.000 0.077 0.000 1.322 33 F HN 0.488 nan 8.300 nan 0.000 0.479 34 Q N 0.727 120.739 119.800 0.354 0.000 2.435 34 Q HA -0.028 4.316 4.340 0.006 0.000 0.207 34 Q C -0.834 175.387 176.000 0.370 0.000 0.956 34 Q CA 0.806 56.760 55.803 0.252 0.000 0.917 34 Q CB 0.535 29.377 28.738 0.172 0.000 0.997 34 Q HN 0.575 nan 8.270 nan 0.000 0.497 35 W N -0.524 120.805 121.300 0.047 0.000 3.439 35 W HA 0.410 5.074 4.660 0.006 0.000 0.323 35 W C -0.383 175.961 176.519 -0.293 0.000 1.174 35 W CA -0.660 56.615 57.345 -0.117 0.000 1.224 35 W CB 1.209 30.556 29.460 -0.189 0.000 1.348 35 W HN 0.031 nan 8.180 nan 0.000 0.498 36 G N 4.368 112.633 108.800 -0.891 0.000 2.631 36 G HA2 0.282 4.245 3.960 0.006 0.000 0.271 36 G HA3 0.282 4.245 3.960 0.006 0.000 0.271 36 G C -2.446 171.306 174.900 -1.913 0.000 1.302 36 G CA -0.758 43.753 45.100 -0.982 0.000 1.002 36 G HN 0.225 nan 8.290 nan 0.000 0.519 37 P HA 0.265 nan 4.420 nan 0.000 0.268 37 P C -0.528 176.623 177.300 -0.249 0.000 1.205 37 P CA 0.116 62.957 63.100 -0.430 0.000 0.771 37 P CB 1.015 32.603 31.700 -0.186 0.000 0.858 38 A N 3.858 126.583 122.820 -0.160 0.000 2.301 38 A HA 0.523 4.847 4.320 0.006 0.000 0.298 38 A C -0.018 177.513 177.584 -0.088 0.000 1.185 38 A CA -0.673 51.256 52.037 -0.180 0.000 0.830 38 A CB -0.704 18.259 19.000 -0.061 0.000 1.112 38 A HN 0.504 nan 8.150 nan 0.000 0.508 39 F N -0.301 119.466 119.950 -0.305 0.000 2.943 39 F HA -0.217 4.313 4.527 0.006 0.000 0.258 39 F C 0.561 176.095 175.800 -0.442 0.000 0.995 39 F CA 1.461 59.138 58.000 -0.539 0.000 0.896 39 F CB -1.558 37.252 39.000 -0.318 0.000 0.821 39 F HN 0.733 nan 8.300 nan 0.000 0.828 40 Q N 0.324 119.963 119.800 -0.268 0.000 2.315 40 Q HA 0.472 4.816 4.340 0.006 0.000 0.273 40 Q C -0.014 175.910 176.000 -0.127 0.000 1.053 40 Q CA -1.012 54.730 55.803 -0.101 0.000 0.817 40 Q CB 2.226 30.951 28.738 -0.022 0.000 1.326 40 Q HN 0.175 nan 8.270 nan 0.000 0.423 41 I N 2.220 122.761 120.570 -0.048 0.000 2.528 41 I HA 0.050 4.224 4.170 0.006 0.000 0.276 41 I C 0.292 176.421 176.117 0.019 0.000 1.056 41 I CA -0.115 61.160 61.300 -0.040 0.000 1.858 41 I CB -1.273 36.718 38.000 -0.014 0.000 1.448 41 I HN 0.328 nan 8.210 nan 0.000 0.776 42 K N 3.112 123.529 120.400 0.030 0.000 2.401 42 K HA 0.024 4.347 4.320 0.006 0.000 0.278 42 K C 0.058 176.696 176.600 0.063 0.000 1.018 42 K CA 0.238 56.566 56.287 0.068 0.000 0.981 42 K CB 0.527 33.100 32.500 0.122 0.000 0.933 42 K HN 0.427 nan 8.250 nan 0.000 0.477 43 Q N 2.427 122.260 119.800 0.055 0.000 2.230 43 Q HA 0.509 4.852 4.340 0.006 0.000 0.248 43 Q C -1.246 174.777 176.000 0.039 0.000 0.915 43 Q CA -0.890 54.935 55.803 0.038 0.000 0.900 43 Q CB 1.246 30.009 28.738 0.042 0.000 1.229 43 Q HN 0.407 nan 8.270 nan 0.000 0.439 44 V N 2.574 122.494 119.914 0.010 0.000 2.789 44 V HA 0.330 4.454 4.120 0.006 0.000 0.311 44 V C -0.107 176.001 176.094 0.023 0.000 1.073 44 V CA -0.405 61.901 62.300 0.010 0.000 0.921 44 V CB 2.124 33.916 31.823 -0.052 0.000 1.009 44 V HN 1.057 nan 8.190 nan 0.000 0.426 45 T N 1.656 116.230 114.554 0.033 0.000 3.028 45 T HA 0.198 4.551 4.350 0.006 0.000 0.250 45 T C 0.527 175.253 174.700 0.043 0.000 0.979 45 T CA 0.049 62.178 62.100 0.047 0.000 1.004 45 T CB 0.251 69.144 68.868 0.042 0.000 1.120 45 T HN 0.601 nan 8.240 nan 0.000 0.482 46 N N 1.151 119.869 118.700 0.031 0.000 2.502 46 N HA 0.323 5.066 4.740 0.006 0.000 0.280 46 N C 0.811 176.333 175.510 0.020 0.000 1.223 46 N CA -0.561 52.507 53.050 0.029 0.000 0.966 46 N CB 1.355 39.861 38.487 0.032 0.000 1.203 46 N HN 0.127 nan 8.380 nan 0.000 0.565 47 E N 0.112 120.332 120.200 0.033 0.000 2.021 47 E HA -0.046 4.308 4.350 0.006 0.000 0.189 47 E C 1.013 177.658 176.600 0.076 0.000 0.980 47 E CA 0.721 57.146 56.400 0.042 0.000 0.803 47 E CB 0.078 29.835 29.700 0.096 0.000 0.766 47 E HN 0.283 nan 8.360 nan 0.000 0.449 48 V N 1.816 121.787 119.914 0.095 0.000 3.140 48 V HA -0.184 3.940 4.120 0.006 0.000 0.269 48 V C 1.594 177.730 176.094 0.071 0.000 1.149 48 V CA 1.873 64.235 62.300 0.103 0.000 1.162 48 V CB -0.529 31.344 31.823 0.083 0.000 0.756 48 V HN 0.264 nan 8.190 nan 0.000 0.523 49 D N -0.306 120.123 120.400 0.048 0.000 2.366 49 D HA 0.011 4.655 4.640 0.006 0.000 0.205 49 D C 1.754 178.074 176.300 0.033 0.000 1.022 49 D CA 0.395 54.416 54.000 0.035 0.000 0.868 49 D CB 0.310 41.129 40.800 0.031 0.000 0.953 49 D HN 0.461 nan 8.370 nan 0.000 0.514 50 L N -1.474 119.757 121.223 0.013 0.000 2.202 50 L HA 0.189 4.533 4.340 0.006 0.000 0.205 50 L C 1.929 178.827 176.870 0.047 0.000 1.083 50 L CA 0.855 55.704 54.840 0.015 0.000 0.790 50 L CB -1.039 40.904 42.059 -0.193 0.000 0.942 50 L HN -0.182 nan 8.230 nan 0.000 0.452 51 V N 1.541 121.493 119.914 0.063 0.000 2.255 51 V HA -0.313 3.811 4.120 0.006 0.000 0.247 51 V C 2.693 178.821 176.094 0.057 0.000 1.051 51 V CA 2.177 64.568 62.300 0.152 0.000 1.018 51 V CB -1.272 30.673 31.823 0.203 0.000 0.641 51 V HN 0.685 nan 8.190 nan 0.000 0.445 52 N N 0.226 118.947 118.700 0.035 0.000 2.133 52 N HA -0.212 4.532 4.740 0.006 0.000 0.193 52 N C 1.547 177.032 175.510 -0.043 0.000 1.012 52 N CA 2.622 55.667 53.050 -0.007 0.000 0.871 52 N CB -0.235 38.256 38.487 0.006 0.000 1.011 52 N HN 0.579 nan 8.380 nan 0.000 0.435 53 T N -2.337 112.171 114.554 -0.076 0.000 3.018 53 T HA 0.271 4.625 4.350 0.006 0.000 0.246 53 T C -0.428 173.897 174.700 -0.624 0.000 1.026 53 T CA 0.177 62.072 62.100 -0.341 0.000 1.081 53 T CB 0.465 69.025 68.868 -0.513 0.000 0.970 53 T HN 0.153 nan 8.240 nan 0.000 0.475 54 F N 0.525 120.424 119.950 -0.085 0.000 3.282 54 F HA 0.482 5.013 4.527 0.006 0.000 0.398 54 F C 1.001 176.779 175.800 -0.036 0.000 1.205 54 F CA -1.133 56.798 58.000 -0.116 0.000 1.273 54 F CB 0.730 39.360 39.000 -0.617 0.000 2.153 54 F HN 0.046 nan 8.300 nan 0.000 0.680 55 G N 0.050 108.972 108.800 0.204 0.000 2.459 55 G HA2 0.076 4.040 3.960 0.006 0.000 0.213 55 G HA3 0.076 4.040 3.960 0.006 0.000 0.213 55 G C 0.513 175.447 174.900 0.057 0.000 1.155 55 G CA 0.553 45.769 45.100 0.194 0.000 0.811 55 G HN 0.276 nan 8.290 nan 0.000 0.534 56 Q N -0.130 119.542 119.800 -0.212 0.000 2.399 56 Q HA 0.394 4.738 4.340 0.006 0.000 0.276 56 Q C -2.895 172.772 176.000 -0.556 0.000 1.098 56 Q CA -1.993 53.403 55.803 -0.678 0.000 0.827 56 Q CB 2.570 31.119 28.738 -0.314 0.000 1.386 56 Q HN 0.002 nan 8.270 nan 0.000 0.443 57 P HA 0.128 nan 4.420 nan 0.000 0.295 57 P C -0.354 176.858 177.300 -0.147 0.000 1.354 57 P CA -0.259 62.642 63.100 -0.331 0.000 0.814 57 P CB 0.669 32.136 31.700 -0.390 0.000 0.935 58 T N 0.104 114.635 114.554 -0.038 0.000 2.816 58 T HA 0.422 4.776 4.350 0.006 0.000 0.282 58 T C 1.338 176.041 174.700 0.004 0.000 0.993 58 T CA -0.295 61.794 62.100 -0.018 0.000 0.994 58 T CB 0.691 69.564 68.868 0.008 0.000 1.025 58 T HN 0.206 nan 8.240 nan 0.000 0.529 59 A N 0.170 122.991 122.820 0.002 0.000 2.248 59 A HA 0.106 4.430 4.320 0.006 0.000 0.210 59 A C 1.882 179.485 177.584 0.031 0.000 1.174 59 A CA 1.363 53.407 52.037 0.011 0.000 0.750 59 A CB -0.894 18.109 19.000 0.004 0.000 0.780 59 A HN 0.933 nan 8.150 nan 0.000 0.478 60 E N -2.104 118.120 120.200 0.040 0.000 2.511 60 E HA 0.101 4.455 4.350 0.006 0.000 0.209 60 E C 1.336 177.988 176.600 0.087 0.000 0.986 60 E CA 1.014 57.445 56.400 0.051 0.000 0.974 60 E CB 0.364 30.079 29.700 0.025 0.000 1.030 60 E HN 0.312 nan 8.360 nan 0.000 0.490 61 T N -0.814 113.804 114.554 0.108 0.000 2.999 61 T HA 0.293 4.646 4.350 0.006 0.000 0.247 61 T C 1.665 176.533 174.700 0.280 0.000 1.012 61 T CA 0.419 62.628 62.100 0.182 0.000 1.048 61 T CB 0.032 69.003 68.868 0.171 0.000 1.020 61 T HN 0.218 nan 8.240 nan 0.000 0.478 62 A N 2.794 125.709 122.820 0.159 0.000 1.879 62 A HA -0.359 3.965 4.320 0.006 0.000 0.234 62 A C 1.804 179.487 177.584 0.164 0.000 1.742 62 A CA 2.644 54.757 52.037 0.126 0.000 0.775 62 A CB -1.256 17.774 19.000 0.049 0.000 0.849 62 A HN 0.417 nan 8.150 nan 0.000 0.487 63 D N -2.114 118.319 120.400 0.055 0.000 2.354 63 D HA -0.083 4.561 4.640 0.006 0.000 0.216 63 D C 1.413 177.610 176.300 -0.172 0.000 0.970 63 D CA 1.202 55.148 54.000 -0.090 0.000 0.905 63 D CB -0.244 40.417 40.800 -0.232 0.000 0.903 63 D HN 0.757 nan 8.370 nan 0.000 0.508 64 Y N -1.582 118.786 120.300 0.113 0.000 2.441 64 Y HA 0.110 4.664 4.550 0.006 0.000 0.288 64 Y C 1.918 178.025 175.900 0.345 0.000 1.118 64 Y CA -0.243 57.933 58.100 0.126 0.000 1.215 64 Y CB -0.456 37.884 38.460 -0.200 0.000 1.118 64 Y HN -0.112 nan 8.280 nan 0.000 0.547 65 F N 0.408 120.596 119.950 0.396 0.000 2.051 65 F HA -0.305 4.226 4.527 0.007 0.000 0.296 65 F C 2.285 178.167 175.800 0.136 0.000 1.122 65 F CA 1.686 59.821 58.000 0.225 0.000 1.201 65 F CB -0.296 38.770 39.000 0.110 0.000 0.978 65 F HN -0.017 nan 8.300 nan 0.000 0.472 66 M N 0.265 120.134 119.600 0.449 0.000 2.110 66 M HA -0.282 4.202 4.480 0.006 0.000 0.257 66 M C 2.559 178.963 176.300 0.174 0.000 1.071 66 M CA 2.028 57.503 55.300 0.291 0.000 1.096 66 M CB -1.225 31.497 32.600 0.204 0.000 1.300 66 M HN 0.225 nan 8.290 nan 0.000 0.411 67 S N -0.533 115.250 115.700 0.137 0.000 2.390 67 S HA -0.292 4.182 4.470 0.006 0.000 0.234 67 S C 1.870 176.523 174.600 0.089 0.000 1.063 67 S CA 1.904 60.163 58.200 0.098 0.000 1.108 67 S CB -0.630 62.606 63.200 0.060 0.000 0.975 67 S HN 0.606 nan 8.310 nan 0.000 0.442 68 A N 1.386 124.218 122.820 0.019 0.000 1.825 68 A HA -0.049 4.274 4.320 0.006 0.000 0.214 68 A C 2.169 179.778 177.584 0.042 0.000 1.206 68 A CA 1.812 53.811 52.037 -0.064 0.000 0.609 68 A CB -1.070 17.779 19.000 -0.253 0.000 0.851 68 A HN 0.597 nan 8.150 nan 0.000 0.445 69 M N 0.838 120.392 119.600 -0.077 0.000 2.308 69 M HA -0.283 4.201 4.480 0.006 0.000 0.257 69 M C 1.600 177.981 176.300 0.136 0.000 1.070 69 M CA 2.725 58.033 55.300 0.012 0.000 1.080 69 M CB -0.709 31.962 32.600 0.119 0.000 1.274 69 M HN 0.685 nan 8.290 nan 0.000 0.434 70 N N 0.345 119.152 118.700 0.178 0.000 2.567 70 N HA -0.135 4.608 4.740 0.006 0.000 0.195 70 N C 0.911 176.599 175.510 0.297 0.000 1.242 70 N CA 0.719 53.884 53.050 0.192 0.000 0.884 70 N CB -0.960 37.640 38.487 0.187 0.000 1.007 70 N HN 0.637 nan 8.380 nan 0.000 0.450 71 F N 0.253 120.285 119.950 0.137 0.000 2.453 71 F HA 0.253 4.783 4.527 0.005 0.000 0.284 71 F C 1.521 177.418 175.800 0.162 0.000 1.065 71 F CA -0.147 57.970 58.000 0.196 0.000 1.411 71 F CB 0.045 39.099 39.000 0.090 0.000 1.131 71 F HN -0.116 nan 8.300 nan 0.000 0.582 72 L N 1.581 122.974 121.223 0.282 0.000 2.556 72 L HA -0.171 4.173 4.340 0.006 0.000 0.230 72 L C 2.004 178.817 176.870 -0.095 0.000 1.163 72 L CA 1.156 56.048 54.840 0.087 0.000 0.819 72 L CB -1.565 40.570 42.059 0.127 0.000 0.939 72 L HN 0.423 nan 8.230 nan 0.000 0.452 73 Q N -1.233 118.478 119.800 -0.149 0.000 2.172 73 Q HA -0.132 4.212 4.340 0.006 0.000 0.200 73 Q C 1.541 177.264 176.000 -0.461 0.000 0.964 73 Q CA 1.343 56.952 55.803 -0.323 0.000 0.855 73 Q CB -0.161 28.300 28.738 -0.461 0.000 0.918 73 Q HN 0.541 nan 8.270 nan 0.000 0.444 74 Y N -0.627 119.492 120.300 -0.303 0.000 2.458 74 Y HA 0.408 4.962 4.550 0.006 0.000 0.256 74 Y C 0.842 176.546 175.900 -0.327 0.000 1.159 74 Y CA 0.034 57.956 58.100 -0.297 0.000 1.261 74 Y CB 1.188 39.453 38.460 -0.325 0.000 1.119 74 Y HN -0.030 nan 8.280 nan 0.000 0.524 75 G N 0.401 109.054 108.800 -0.246 0.000 2.078 75 G HA2 0.194 4.158 3.960 0.006 0.000 0.297 75 G HA3 0.194 4.158 3.960 0.006 0.000 0.297 75 G C -1.417 173.415 174.900 -0.113 0.000 1.370 75 G CA -0.842 44.041 45.100 -0.361 0.000 1.222 75 G HN -0.029 nan 8.290 nan 0.000 0.586 76 N N 2.281 120.980 118.700 -0.000 0.000 2.818 76 N HA 0.369 5.113 4.740 0.006 0.000 0.301 76 N C -0.815 174.755 175.510 0.100 0.000 1.821 76 N CA -0.451 52.636 53.050 0.062 0.000 0.930 76 N CB 1.527 40.031 38.487 0.028 0.000 1.263 76 N HN 0.799 nan 8.380 nan 0.000 0.487 77 D N -0.631 119.877 120.400 0.181 0.000 2.768 77 D HA 0.623 5.267 4.640 0.006 0.000 0.327 77 D C -1.158 175.260 176.300 0.198 0.000 1.302 77 D CA -0.681 53.413 54.000 0.156 0.000 0.897 77 D CB 1.218 42.076 40.800 0.096 0.000 1.420 77 D HN -0.022 nan 8.370 nan 0.000 0.494 78 L N -1.111 120.140 121.223 0.046 0.000 2.787 78 L HA 0.450 4.794 4.340 0.006 0.000 0.260 78 L C -1.831 174.979 176.870 -0.101 0.000 0.921 78 L CA -0.344 54.430 54.840 -0.110 0.000 0.984 78 L CB 1.736 43.676 42.059 -0.199 0.000 1.519 78 L HN 0.486 nan 8.230 nan 0.000 0.452 79 R N 4.152 124.585 120.500 -0.111 0.000 2.295 79 R HA 0.792 5.136 4.340 0.006 0.000 0.324 79 R C -0.587 175.697 176.300 -0.026 0.000 0.968 79 R CA -0.565 55.532 56.100 -0.004 0.000 0.837 79 R CB 1.723 32.114 30.300 0.151 0.000 1.133 79 R HN 0.543 nan 8.270 nan 0.000 0.450 80 V N -0.291 119.576 119.914 -0.078 0.000 3.046 80 V HA 0.788 4.912 4.120 0.006 0.000 0.316 80 V C -0.572 175.437 176.094 -0.141 0.000 1.104 80 V CA -0.766 61.430 62.300 -0.174 0.000 1.006 80 V CB 2.586 34.107 31.823 -0.504 0.000 1.058 80 V HN 0.349 nan 8.190 nan 0.000 0.440 81 V N 3.329 123.106 119.914 -0.228 0.000 2.532 81 V HA 0.493 4.617 4.120 0.006 0.000 0.294 81 V C -0.038 175.797 176.094 -0.432 0.000 1.036 81 V CA -0.567 61.510 62.300 -0.372 0.000 0.876 81 V CB 1.475 32.969 31.823 -0.550 0.000 1.012 81 V HN 1.073 nan 8.190 nan 0.000 0.432 82 R N 3.526 123.830 120.500 -0.328 0.000 2.347 82 R HA 0.591 4.935 4.340 0.006 0.000 0.304 82 R C 0.132 175.981 176.300 -0.752 0.000 1.072 82 R CA -0.034 55.870 56.100 -0.326 0.000 0.980 82 R CB 1.005 31.283 30.300 -0.037 0.000 0.986 82 R HN 0.840 nan 8.270 nan 0.000 0.448 83 A N 4.995 127.364 122.820 -0.751 0.000 2.302 83 A HA 0.361 4.685 4.320 0.006 0.000 0.295 83 A C -0.492 176.785 177.584 -0.511 0.000 1.235 83 A CA -0.514 51.057 52.037 -0.777 0.000 0.876 83 A CB 1.008 19.677 19.000 -0.552 0.000 1.133 83 A HN 0.529 nan 8.150 nan 0.000 0.533 84 V N 2.337 121.994 119.914 -0.429 0.000 2.881 84 V HA 0.280 4.404 4.120 0.006 0.000 0.316 84 V C -0.265 175.863 176.094 0.055 0.000 1.070 84 V CA -0.568 61.662 62.300 -0.116 0.000 0.976 84 V CB 2.175 33.979 31.823 -0.032 0.000 1.038 84 V HN 1.027 nan 8.190 nan 0.000 0.446 85 D N 1.727 122.145 120.400 0.030 0.000 2.317 85 D HA 0.259 4.903 4.640 0.006 0.000 0.252 85 D C 0.971 177.309 176.300 0.064 0.000 1.174 85 D CA -0.204 53.827 54.000 0.052 0.000 0.866 85 D CB 1.075 41.886 40.800 0.018 0.000 1.127 85 D HN 0.345 nan 8.370 nan 0.000 0.467 86 R N 2.101 122.644 120.500 0.072 0.000 2.120 86 R HA -0.054 4.290 4.340 0.006 0.000 0.234 86 R C 0.901 177.199 176.300 -0.005 0.000 1.123 86 R CA 1.269 57.381 56.100 0.021 0.000 0.975 86 R CB 0.117 30.397 30.300 -0.033 0.000 0.866 86 R HN 0.579 nan 8.270 nan 0.000 0.446 87 D N -1.923 118.478 120.400 0.001 0.000 2.305 87 D HA -0.022 4.621 4.640 0.006 0.000 0.206 87 D C 1.190 177.486 176.300 -0.007 0.000 0.974 87 D CA 1.667 55.662 54.000 -0.007 0.000 0.871 87 D CB 0.581 41.378 40.800 -0.004 0.000 0.947 87 D HN 0.408 nan 8.370 nan 0.000 0.516 88 T N -1.879 112.673 114.554 -0.002 0.000 3.125 88 T HA 0.325 4.679 4.350 0.006 0.000 0.252 88 T C 1.136 175.833 174.700 -0.005 0.000 0.981 88 T CA 0.058 62.156 62.100 -0.004 0.000 1.069 88 T CB 0.078 68.946 68.868 0.000 0.000 1.091 88 T HN 0.039 nan 8.240 nan 0.000 0.460 89 A N 2.704 125.522 122.820 -0.003 0.000 2.598 89 A HA 0.419 4.742 4.320 0.006 0.000 0.239 89 A C 0.092 177.666 177.584 -0.017 0.000 1.032 89 A CA 0.325 52.358 52.037 -0.006 0.000 0.760 89 A CB -0.072 18.924 19.000 -0.007 0.000 0.946 89 A HN 0.388 nan 8.150 nan 0.000 0.512 90 K N 1.937 122.330 120.400 -0.012 0.000 2.426 90 K HA 0.419 4.743 4.320 0.006 0.000 0.251 90 K C -1.165 175.424 176.600 -0.019 0.000 0.941 90 K CA -0.869 55.404 56.287 -0.024 0.000 0.808 90 K CB 1.767 34.261 32.500 -0.010 0.000 1.265 90 K HN 0.725 nan 8.250 nan 0.000 0.432 91 N N -0.218 118.453 118.700 -0.048 0.000 2.456 91 N HA 0.266 5.009 4.740 0.006 0.000 0.296 91 N C -0.875 174.636 175.510 0.001 0.000 1.102 91 N CA -0.367 52.663 53.050 -0.033 0.000 0.924 91 N CB 0.976 39.402 38.487 -0.102 0.000 1.186 91 N HN 0.290 nan 8.380 nan 0.000 0.492 92 S N 0.266 115.996 115.700 0.049 0.000 2.515 92 S HA 0.219 4.693 4.470 0.006 0.000 0.285 92 S C 0.525 175.151 174.600 0.043 0.000 1.265 92 S CA -0.523 57.712 58.200 0.058 0.000 1.079 92 S CB -0.280 62.976 63.200 0.093 0.000 0.877 92 S HN 0.643 nan 8.310 nan 0.000 0.493 93 S N 3.041 118.771 115.700 0.050 0.000 2.801 93 S HA 0.717 5.191 4.470 0.006 0.000 0.312 93 S C -2.825 171.802 174.600 0.045 0.000 1.112 93 S CA -1.419 56.827 58.200 0.077 0.000 0.943 93 S CB 1.661 64.960 63.200 0.164 0.000 1.269 93 S HN 0.442 nan 8.310 nan 0.000 0.558 94 P HA 0.464 nan 4.420 nan 0.000 0.305 94 P C -0.552 176.715 177.300 -0.055 0.000 1.600 94 P CA -0.024 63.064 63.100 -0.019 0.000 1.319 94 P CB -0.351 31.312 31.700 -0.061 0.000 1.608 95 I N -0.394 120.151 120.570 -0.042 0.000 3.207 95 I HA 0.319 4.493 4.170 0.006 0.000 0.343 95 I C 1.546 177.614 176.117 -0.082 0.000 1.378 95 I CA -0.176 61.057 61.300 -0.113 0.000 1.004 95 I CB 0.244 38.192 38.000 -0.086 0.000 1.836 95 I HN -0.119 nan 8.210 nan 0.000 0.513 96 A N 1.069 123.854 122.820 -0.058 0.000 1.956 96 A HA 0.429 4.752 4.320 0.006 0.000 0.212 96 A C 1.860 179.404 177.584 -0.066 0.000 1.188 96 A CA 0.933 52.942 52.037 -0.046 0.000 0.675 96 A CB -0.140 18.851 19.000 -0.014 0.000 0.845 96 A HN 0.459 nan 8.150 nan 0.000 0.455 97 G N -0.181 108.575 108.800 -0.073 0.000 4.100 97 G HA2 0.318 4.282 3.960 0.006 0.000 0.294 97 G HA3 0.318 4.282 3.960 0.006 0.000 0.294 97 G C -0.232 174.605 174.900 -0.104 0.000 1.040 97 G CA -0.395 44.671 45.100 -0.056 0.000 0.829 97 G HN 0.409 nan 8.290 nan 0.000 0.505 98 N N 0.146 118.719 118.700 -0.212 0.000 2.483 98 N HA 0.462 5.205 4.740 0.006 0.000 0.269 98 N C -0.676 174.681 175.510 -0.255 0.000 1.209 98 N CA -0.443 52.410 53.050 -0.327 0.000 0.969 98 N CB 1.991 39.980 38.487 -0.831 0.000 1.173 98 N HN 0.165 nan 8.380 nan 0.000 0.475 99 I N 1.071 121.579 120.570 -0.104 0.000 2.336 99 I HA 0.132 4.306 4.170 0.006 0.000 0.292 99 I C -0.155 176.090 176.117 0.215 0.000 0.991 99 I CA -0.685 60.625 61.300 0.018 0.000 1.227 99 I CB 0.582 38.601 38.000 0.032 0.000 1.366 99 I HN 0.453 nan 8.210 nan 0.000 0.466 100 E N 7.749 128.017 120.200 0.113 0.000 2.765 100 E HA -0.085 4.269 4.350 0.006 0.000 0.256 100 E C -1.419 175.313 176.600 0.220 0.000 0.935 100 E CA 1.030 57.510 56.400 0.133 0.000 0.954 100 E CB 0.152 29.873 29.700 0.034 0.000 0.908 100 E HN 0.560 nan 8.360 nan 0.000 0.500 101 Y N -1.406 118.942 120.300 0.080 0.000 2.558 101 Y HA 0.469 5.023 4.550 0.006 0.000 0.333 101 Y C -1.288 174.606 175.900 -0.010 0.000 1.125 101 Y CA -0.965 57.154 58.100 0.032 0.000 1.039 101 Y CB 1.307 39.792 38.460 0.042 0.000 1.331 101 Y HN 0.148 nan 8.280 nan 0.000 0.456 102 T N 4.622 119.242 114.554 0.111 0.000 2.949 102 T HA 0.406 4.760 4.350 0.006 0.000 0.300 102 T C -0.413 174.345 174.700 0.096 0.000 0.988 102 T CA -0.547 61.554 62.100 0.002 0.000 0.993 102 T CB 1.049 69.899 68.868 -0.030 0.000 0.984 102 T HN 0.730 nan 8.240 nan 0.000 0.442 103 I N 3.066 123.694 120.570 0.098 0.000 2.624 103 I HA -0.015 4.159 4.170 0.006 0.000 0.307 103 I C 1.603 177.736 176.117 0.027 0.000 1.191 103 I CA 0.005 61.346 61.300 0.069 0.000 1.708 103 I CB -0.178 37.855 38.000 0.054 0.000 1.521 103 I HN 0.701 nan 8.210 nan 0.000 0.805 104 S N 2.717 118.435 115.700 0.030 0.000 2.387 104 S HA -0.121 4.353 4.470 0.006 0.000 0.230 104 S C 0.892 175.501 174.600 0.016 0.000 1.035 104 S CA 1.399 59.611 58.200 0.021 0.000 1.014 104 S CB -0.033 63.183 63.200 0.026 0.000 0.836 104 S HN 0.673 nan 8.310 nan 0.000 0.466 105 T N 2.499 117.063 114.554 0.016 0.000 3.066 105 T HA 0.351 4.704 4.350 0.006 0.000 0.318 105 T C -3.029 171.678 174.700 0.012 0.000 0.979 105 T CA -1.210 60.901 62.100 0.019 0.000 1.025 105 T CB 1.873 70.759 68.868 0.029 0.000 1.002 105 T HN -0.106 nan 8.240 nan 0.000 0.453 106 P HA 0.218 nan 4.420 nan 0.000 0.264 106 P C 0.763 178.094 177.300 0.051 0.000 1.193 106 P CA 0.146 63.250 63.100 0.005 0.000 0.763 106 P CB 0.500 32.211 31.700 0.018 0.000 0.810 107 G N 2.213 111.055 108.800 0.069 0.000 2.468 107 G HA2 0.452 4.415 3.960 0.006 0.000 0.264 107 G HA3 0.452 4.415 3.960 0.006 0.000 0.264 107 G C -0.364 174.707 174.900 0.285 0.000 1.460 107 G CA -0.139 45.154 45.100 0.322 0.000 1.060 107 G HN 0.628 nan 8.290 nan 0.000 0.543 108 S N -2.563 113.318 115.700 0.301 0.000 2.618 108 S HA 0.414 4.888 4.470 0.006 0.000 0.277 108 S C 0.073 174.702 174.600 0.048 0.000 1.138 108 S CA -0.255 58.033 58.200 0.147 0.000 0.844 108 S CB 1.808 65.046 63.200 0.063 0.000 1.127 108 S HN 0.699 nan 8.310 nan 0.000 0.474 109 N N -0.456 118.259 118.700 0.025 0.000 2.681 109 N HA -0.169 4.575 4.740 0.006 0.000 0.250 109 N C -0.868 174.577 175.510 -0.109 0.000 1.133 109 N CA 1.179 54.200 53.050 -0.049 0.000 0.732 109 N CB -1.719 36.709 38.487 -0.100 0.000 1.107 109 N HN 0.705 nan 8.380 nan 0.000 0.559 110 Y N 0.038 120.342 120.300 0.007 0.000 2.289 110 Y HA 0.554 5.108 4.550 0.006 0.000 0.332 110 Y C 1.196 177.100 175.900 0.007 0.000 1.324 110 Y CA 0.369 58.473 58.100 0.006 0.000 1.478 110 Y CB 0.713 39.177 38.460 0.006 0.000 1.378 110 Y HN 0.145 nan 8.280 nan 0.000 0.558 111 A N -0.251 122.686 122.820 0.195 0.000 2.686 111 A HA 0.593 4.917 4.320 0.006 0.000 0.263 111 A C 0.431 178.069 177.584 0.090 0.000 1.264 111 A CA -0.358 51.742 52.037 0.105 0.000 0.799 111 A CB 0.048 19.085 19.000 0.062 0.000 1.363 111 A HN 0.472 nan 8.150 nan 0.000 0.507 112 V N 0.066 120.015 119.914 0.059 0.000 2.256 112 V HA 0.126 4.249 4.120 0.006 0.000 0.240 112 V C 1.729 177.844 176.094 0.035 0.000 1.036 112 V CA 1.931 64.257 62.300 0.043 0.000 1.008 112 V CB -0.628 31.217 31.823 0.037 0.000 0.648 112 V HN 1.032 nan 8.190 nan 0.000 0.453 113 G N 1.280 110.099 108.800 0.032 0.000 3.515 113 G HA2 0.321 4.284 3.960 0.006 0.000 0.288 113 G HA3 0.321 4.284 3.960 0.006 0.000 0.288 113 G C -0.893 174.025 174.900 0.031 0.000 1.012 113 G CA -0.170 44.944 45.100 0.024 0.000 1.689 113 G HN 0.253 nan 8.290 nan 0.000 0.572 114 D N 1.140 121.565 120.400 0.042 0.000 2.308 114 D HA 0.277 4.921 4.640 0.006 0.000 0.242 114 D C 0.273 176.595 176.300 0.037 0.000 1.059 114 D CA -0.193 53.843 54.000 0.060 0.000 0.830 114 D CB 1.869 42.743 40.800 0.123 0.000 1.161 114 D HN 0.172 nan 8.370 nan 0.000 0.494 115 K N 1.832 122.250 120.400 0.030 0.000 2.185 115 K HA 0.490 4.814 4.320 0.006 0.000 0.271 115 K C 0.146 176.754 176.600 0.012 0.000 1.013 115 K CA -0.442 55.853 56.287 0.014 0.000 0.943 115 K CB 1.496 34.003 32.500 0.012 0.000 0.998 115 K HN 0.356 nan 8.250 nan 0.000 0.468 116 I N 0.822 121.389 120.570 -0.005 0.000 2.603 116 I HA 0.260 4.433 4.170 0.006 0.000 0.300 116 I C -0.263 175.857 176.117 0.005 0.000 1.017 116 I CA -0.741 60.553 61.300 -0.010 0.000 1.098 116 I CB 2.314 40.286 38.000 -0.047 0.000 1.279 116 I HN 0.446 nan 8.210 nan 0.000 0.437 117 T N 4.053 118.618 114.554 0.018 0.000 2.879 117 T HA 0.413 4.767 4.350 0.006 0.000 0.290 117 T C -0.543 174.190 174.700 0.055 0.000 0.993 117 T CA -0.447 61.674 62.100 0.035 0.000 0.975 117 T CB 1.835 70.724 68.868 0.035 0.000 0.981 117 T HN 0.186 nan 8.240 nan 0.000 0.439 118 V N 4.581 124.543 119.914 0.081 0.000 2.370 118 V HA 0.438 4.562 4.120 0.006 0.000 0.279 118 V C 0.099 176.288 176.094 0.158 0.000 1.029 118 V CA -0.756 61.625 62.300 0.135 0.000 0.870 118 V CB 0.954 32.880 31.823 0.171 0.000 0.984 118 V HN 0.712 nan 8.190 nan 0.000 0.451 119 K N 3.579 124.064 120.400 0.143 0.000 2.156 119 K HA 0.511 4.834 4.320 0.006 0.000 0.254 119 K C -1.309 175.331 176.600 0.065 0.000 0.950 119 K CA -0.876 55.466 56.287 0.092 0.000 0.849 119 K CB 2.029 34.553 32.500 0.041 0.000 1.100 119 K HN 0.583 nan 8.250 nan 0.000 0.434 120 Y N 2.675 122.830 120.300 -0.242 0.000 2.593 120 Y HA 0.162 4.716 4.550 0.006 0.000 0.331 120 Y C -0.527 175.159 175.900 -0.356 0.000 0.986 120 Y CA -1.519 56.238 58.100 -0.571 0.000 1.262 120 Y CB -0.108 37.867 38.460 -0.808 0.000 1.098 120 Y HN 0.399 nan 8.280 nan 0.000 0.506 121 V N 4.669 124.404 119.914 -0.299 0.000 5.981 121 V HA -0.294 3.830 4.120 0.006 0.000 0.233 121 V C 0.833 176.806 176.094 -0.201 0.000 0.653 121 V CA 1.177 63.295 62.300 -0.303 0.000 0.677 121 V CB -2.473 29.051 31.823 -0.500 0.000 0.632 121 V HN 0.951 nan 8.190 nan 0.000 0.464 122 S N -0.253 115.382 115.700 -0.109 0.000 3.521 122 S HA -0.207 4.267 4.470 0.006 0.000 0.362 122 S C 0.120 174.678 174.600 -0.071 0.000 1.044 122 S CA 1.505 59.663 58.200 -0.070 0.000 1.091 122 S CB -0.597 62.564 63.200 -0.065 0.000 0.908 122 S HN 1.060 nan 8.310 nan 0.000 0.473 123 D N 0.877 121.233 120.400 -0.073 0.000 2.863 123 D HA 0.329 4.973 4.640 0.006 0.000 0.245 123 D C -1.104 175.195 176.300 -0.001 0.000 1.211 123 D CA -0.566 53.403 54.000 -0.052 0.000 0.888 123 D CB 1.286 42.028 40.800 -0.097 0.000 1.483 123 D HN -0.043 nan 8.370 nan 0.000 0.533 124 D N 3.552 123.962 120.400 0.016 0.000 2.417 124 D HA 0.107 4.751 4.640 0.006 0.000 0.250 124 D C 1.186 177.526 176.300 0.067 0.000 1.166 124 D CA -0.086 53.939 54.000 0.042 0.000 0.881 124 D CB 1.239 42.058 40.800 0.031 0.000 1.164 124 D HN 0.313 nan 8.370 nan 0.000 0.467 125 I N 0.615 121.247 120.570 0.103 0.000 3.345 125 I HA 0.097 4.271 4.170 0.006 0.000 0.258 125 I C 0.675 176.855 176.117 0.105 0.000 1.134 125 I CA 0.350 61.730 61.300 0.132 0.000 1.457 125 I CB -0.330 37.810 38.000 0.233 0.000 1.425 125 I HN 0.262 nan 8.210 nan 0.000 0.461 126 E N 1.493 121.757 120.200 0.106 0.000 2.222 126 E HA 0.367 4.721 4.350 0.006 0.000 0.267 126 E C -0.058 176.572 176.600 0.050 0.000 0.884 126 E CA -0.159 56.283 56.400 0.069 0.000 0.764 126 E CB 1.389 31.130 29.700 0.068 0.000 1.169 126 E HN 0.233 nan 8.360 nan 0.000 0.413 127 T N 0.880 115.452 114.554 0.030 0.000 3.399 127 T HA 0.301 4.655 4.350 0.006 0.000 0.305 127 T C -0.015 174.690 174.700 0.008 0.000 0.983 127 T CA -0.485 61.628 62.100 0.021 0.000 0.967 127 T CB 0.076 68.956 68.868 0.021 0.000 1.186 127 T HN 0.280 nan 8.240 nan 0.000 0.504 128 E N 1.175 121.375 120.200 0.000 0.000 2.583 128 E HA 0.331 4.685 4.350 0.006 0.000 0.213 128 E C 1.196 177.783 176.600 -0.022 0.000 0.989 128 E CA -0.181 56.211 56.400 -0.013 0.000 0.991 128 E CB 0.658 30.345 29.700 -0.022 0.000 1.040 128 E HN 0.695 nan 8.360 nan 0.000 0.481 129 G N 2.031 110.819 108.800 -0.019 0.000 2.664 129 G HA2 0.242 4.206 3.960 0.006 0.000 0.242 129 G HA3 0.242 4.206 3.960 0.006 0.000 0.242 129 G C -0.167 174.714 174.900 -0.031 0.000 1.225 129 G CA -0.141 44.939 45.100 -0.033 0.000 0.849 129 G HN 0.093 nan 8.290 nan 0.000 0.581 130 K N 0.267 120.641 120.400 -0.043 0.000 2.584 130 K HA 0.244 4.568 4.320 0.006 0.000 0.260 130 K C -0.753 175.822 176.600 -0.041 0.000 0.949 130 K CA -0.955 55.314 56.287 -0.030 0.000 0.888 130 K CB 0.864 33.357 32.500 -0.012 0.000 1.330 130 K HN 0.357 nan 8.250 nan 0.000 0.432 131 I N 2.537 123.081 120.570 -0.044 0.000 2.948 131 I HA -0.167 4.007 4.170 0.006 0.000 0.303 131 I C 1.040 177.150 176.117 -0.011 0.000 1.224 131 I CA 1.040 62.311 61.300 -0.048 0.000 1.442 131 I CB 0.476 38.452 38.000 -0.040 0.000 1.328 131 I HN 1.027 nan 8.210 nan 0.000 0.578 132 T N 0.353 114.904 114.554 -0.004 0.000 3.009 132 T HA 0.225 4.578 4.350 0.006 0.000 0.267 132 T C 0.109 174.826 174.700 0.029 0.000 0.942 132 T CA -0.403 61.711 62.100 0.022 0.000 0.883 132 T CB 0.307 69.199 68.868 0.040 0.000 1.192 132 T HN 0.677 nan 8.240 nan 0.000 0.524 133 E N 1.401 121.613 120.200 0.020 0.000 2.313 133 E HA 0.497 4.851 4.350 0.006 0.000 0.280 133 E C -1.183 175.429 176.600 0.021 0.000 0.898 133 E CA -0.721 55.694 56.400 0.024 0.000 0.803 133 E CB 2.388 32.102 29.700 0.024 0.000 1.286 133 E HN 0.285 nan 8.360 nan 0.000 0.401 134 V N 0.790 120.722 119.914 0.031 0.000 3.113 134 V HA 0.649 4.773 4.120 0.006 0.000 0.316 134 V C 0.022 176.137 176.094 0.035 0.000 1.125 134 V CA -0.694 61.628 62.300 0.038 0.000 1.026 134 V CB 1.649 33.509 31.823 0.062 0.000 1.080 134 V HN 0.752 nan 8.190 nan 0.000 0.444 135 D N 1.313 121.736 120.400 0.037 0.000 2.481 135 D HA 0.525 5.169 4.640 0.006 0.000 0.283 135 D C 1.181 177.501 176.300 0.034 0.000 1.192 135 D CA 0.130 54.149 54.000 0.031 0.000 1.100 135 D CB 0.560 41.376 40.800 0.027 0.000 1.166 135 D HN 0.751 nan 8.370 nan 0.000 0.584 136 A N -0.901 121.936 122.820 0.028 0.000 2.067 136 A HA -0.047 4.277 4.320 0.006 0.000 0.217 136 A C 1.128 178.729 177.584 0.028 0.000 1.156 136 A CA 1.192 53.244 52.037 0.026 0.000 0.683 136 A CB -0.439 18.573 19.000 0.020 0.000 0.808 136 A HN 0.441 nan 8.150 nan 0.000 0.455 137 D N -1.530 118.891 120.400 0.034 0.000 2.349 137 D HA 0.279 4.923 4.640 0.006 0.000 0.214 137 D C 1.306 177.638 176.300 0.053 0.000 1.063 137 D CA 0.968 54.990 54.000 0.036 0.000 0.847 137 D CB 0.270 41.091 40.800 0.035 0.000 0.933 137 D HN 0.539 nan 8.370 nan 0.000 0.513 138 G N 1.291 110.132 108.800 0.068 0.000 2.157 138 G HA2 -0.313 3.651 3.960 0.006 0.000 0.248 138 G HA3 -0.313 3.651 3.960 0.006 0.000 0.248 138 G C 0.214 175.210 174.900 0.160 0.000 0.979 138 G CA -0.254 44.913 45.100 0.113 0.000 0.650 138 G HN 0.302 nan 8.290 nan 0.000 0.529 139 K N 0.680 121.143 120.400 0.105 0.000 2.472 139 K HA 0.305 4.629 4.320 0.006 0.000 0.280 139 K C 1.030 177.659 176.600 0.048 0.000 1.028 139 K CA -0.016 56.322 56.287 0.086 0.000 1.045 139 K CB 0.557 33.089 32.500 0.053 0.000 0.902 139 K HN 0.378 nan 8.250 nan 0.000 0.478 140 I N 4.674 125.242 120.570 -0.003 0.000 2.505 140 I HA -0.071 4.103 4.170 0.006 0.000 0.287 140 I C 1.205 177.307 176.117 -0.026 0.000 1.104 140 I CA 0.143 61.405 61.300 -0.064 0.000 1.387 140 I CB 0.422 38.300 38.000 -0.204 0.000 1.404 140 I HN 0.531 nan 8.210 nan 0.000 0.528 141 K N 5.136 125.531 120.400 -0.007 0.000 2.313 141 K HA 0.218 4.542 4.320 0.006 0.000 0.197 141 K C 0.414 177.024 176.600 0.017 0.000 1.061 141 K CA 0.561 56.850 56.287 0.004 0.000 0.980 141 K CB 0.561 33.065 32.500 0.007 0.000 0.888 141 K HN 0.513 nan 8.250 nan 0.000 0.502 142 K N 0.986 121.396 120.400 0.017 0.000 2.542 142 K HA 0.326 4.650 4.320 0.006 0.000 0.259 142 K C -1.285 175.314 176.600 -0.002 0.000 0.932 142 K CA -0.515 55.797 56.287 0.042 0.000 0.820 142 K CB 1.630 34.150 32.500 0.032 0.000 1.345 142 K HN 0.035 nan 8.250 nan 0.000 0.432 143 I N -0.367 120.177 120.570 -0.044 0.000 3.206 143 I HA 0.619 4.793 4.170 0.006 0.000 0.313 143 I C -1.465 174.574 176.117 -0.130 0.000 1.103 143 I CA -0.889 60.315 61.300 -0.159 0.000 0.985 143 I CB 2.447 40.244 38.000 -0.338 0.000 1.240 143 I HN 0.560 nan 8.210 nan 0.000 0.464 144 N N 2.939 121.580 118.700 -0.098 0.000 2.571 144 N HA 0.436 5.180 4.740 0.006 0.000 0.286 144 N C -1.844 173.651 175.510 -0.026 0.000 1.138 144 N CA -0.356 52.698 53.050 0.007 0.000 0.859 144 N CB 1.903 40.458 38.487 0.114 0.000 1.414 144 N HN 0.648 nan 8.380 nan 0.000 0.529 145 I N 3.974 124.528 120.570 -0.028 0.000 2.312 145 I HA 0.347 4.521 4.170 0.006 0.000 0.290 145 I C -2.079 174.041 176.117 0.006 0.000 1.008 145 I CA -1.987 59.297 61.300 -0.027 0.000 1.226 145 I CB 1.546 39.519 38.000 -0.046 0.000 1.371 145 I HN 0.206 nan 8.210 nan 0.000 0.468 146 P HA 0.100 nan 4.420 nan 0.000 0.271 146 P C 0.567 177.858 177.300 -0.015 0.000 1.216 146 P CA -0.175 62.909 63.100 -0.026 0.000 0.776 146 P CB 0.658 32.329 31.700 -0.049 0.000 0.881 147 T N -1.778 112.765 114.554 -0.018 0.000 3.085 147 T HA 0.324 4.678 4.350 0.006 0.000 0.264 147 T C 1.500 176.191 174.700 -0.015 0.000 1.019 147 T CA 0.326 62.412 62.100 -0.023 0.000 0.910 147 T CB -0.309 68.537 68.868 -0.036 0.000 1.059 147 T HN 0.225 nan 8.240 nan 0.000 0.542 148 A N 3.226 126.038 122.820 -0.013 0.000 1.859 148 A HA -0.155 4.169 4.320 0.006 0.000 0.217 148 A C 2.344 179.927 177.584 -0.001 0.000 1.198 148 A CA 1.863 53.894 52.037 -0.010 0.000 0.629 148 A CB -0.628 18.364 19.000 -0.013 0.000 0.830 148 A HN 0.557 nan 8.150 nan 0.000 0.446 149 K N -0.268 120.138 120.400 0.011 0.000 2.057 149 K HA -0.070 4.254 4.320 0.006 0.000 0.206 149 K C 1.926 178.559 176.600 0.054 0.000 1.050 149 K CA 1.636 57.944 56.287 0.035 0.000 0.935 149 K CB -0.470 32.058 32.500 0.048 0.000 0.715 149 K HN 0.754 nan 8.250 nan 0.000 0.439 150 I N 0.527 121.120 120.570 0.039 0.000 2.233 150 I HA -0.174 4.000 4.170 0.006 0.000 0.243 150 I C 2.572 178.648 176.117 -0.069 0.000 1.093 150 I CA 1.138 62.449 61.300 0.018 0.000 1.380 150 I CB -0.951 37.013 38.000 -0.060 0.000 1.067 150 I HN 0.085 nan 8.210 nan 0.000 0.413 151 I N 1.142 121.681 120.570 -0.051 0.000 2.454 151 I HA -0.137 4.037 4.170 0.006 0.000 0.254 151 I C 2.676 178.773 176.117 -0.035 0.000 1.156 151 I CA 1.489 62.795 61.300 0.010 0.000 1.433 151 I CB -0.465 37.589 38.000 0.091 0.000 1.082 151 I HN 0.152 nan 8.210 nan 0.000 0.432 152 A N 1.988 124.794 122.820 -0.022 0.000 1.828 152 A HA -0.243 4.081 4.320 0.006 0.000 0.215 152 A C 2.364 179.964 177.584 0.027 0.000 1.203 152 A CA 2.285 54.311 52.037 -0.019 0.000 0.614 152 A CB -0.858 18.145 19.000 0.004 0.000 0.844 152 A HN 0.454 nan 8.150 nan 0.000 0.445 153 K N 0.092 120.549 120.400 0.095 0.000 2.089 153 K HA -0.136 4.188 4.320 0.006 0.000 0.210 153 K C 1.925 178.640 176.600 0.192 0.000 1.048 153 K CA 1.976 58.368 56.287 0.175 0.000 0.926 153 K CB -0.591 32.083 32.500 0.290 0.000 0.714 153 K HN 0.391 nan 8.250 nan 0.000 0.448 154 A N 0.613 123.522 122.820 0.148 0.000 1.873 154 A HA -0.160 4.164 4.320 0.006 0.000 0.215 154 A C 2.022 179.674 177.584 0.115 0.000 1.186 154 A CA 1.858 53.964 52.037 0.116 0.000 0.616 154 A CB -0.501 18.417 19.000 -0.136 0.000 0.823 154 A HN 0.365 nan 8.150 nan 0.000 0.442 155 K N -0.473 119.936 120.400 0.015 0.000 2.063 155 K HA -0.213 4.111 4.320 0.006 0.000 0.208 155 K C 2.065 178.666 176.600 0.002 0.000 1.048 155 K CA 1.612 57.851 56.287 -0.079 0.000 0.928 155 K CB -0.141 32.193 32.500 -0.276 0.000 0.713 155 K HN 0.743 nan 8.250 nan 0.000 0.442 156 E N 1.040 121.258 120.200 0.030 0.000 2.333 156 E HA -0.129 4.225 4.350 0.006 0.000 0.198 156 E C 0.683 177.337 176.600 0.089 0.000 1.007 156 E CA 1.140 57.572 56.400 0.053 0.000 0.845 156 E CB 0.327 30.067 29.700 0.066 0.000 0.766 156 E HN 0.192 nan 8.360 nan 0.000 0.507 157 V N -3.580 116.408 119.914 0.122 0.000 2.925 157 V HA 0.527 4.651 4.120 0.006 0.000 0.361 157 V C 0.844 177.027 176.094 0.149 0.000 1.361 157 V CA 0.014 62.405 62.300 0.152 0.000 1.184 157 V CB 0.046 32.008 31.823 0.232 0.000 1.245 157 V HN 0.203 nan 8.190 nan 0.000 0.575 158 G N 1.106 109.979 108.800 0.120 0.000 2.257 158 G HA2 -0.314 3.650 3.960 0.006 0.000 0.267 158 G HA3 -0.314 3.650 3.960 0.006 0.000 0.267 158 G C 0.309 175.291 174.900 0.136 0.000 0.984 158 G CA 0.781 45.950 45.100 0.115 0.000 0.626 158 G HN 0.705 nan 8.290 nan 0.000 0.540 159 E N -0.183 120.117 120.200 0.167 0.000 2.452 159 E HA 0.392 4.746 4.350 0.006 0.000 0.293 159 E C -0.608 176.047 176.600 0.091 0.000 1.535 159 E CA -0.371 56.126 56.400 0.161 0.000 1.816 159 E CB 0.077 29.961 29.700 0.307 0.000 1.494 159 E HN 0.568 nan 8.360 nan 0.000 0.464 160 Y N 0.541 120.817 120.300 -0.039 0.000 2.373 160 Y HA 0.318 4.872 4.550 0.006 0.000 0.336 160 Y C -2.265 173.599 175.900 -0.060 0.000 0.979 160 Y CA -2.186 55.862 58.100 -0.088 0.000 1.080 160 Y CB 1.799 40.212 38.460 -0.079 0.000 1.190 160 Y HN -0.000 nan 8.280 nan 0.000 0.446 161 P HA 0.106 nan 4.420 nan 0.000 0.268 161 P C 1.048 178.127 177.300 -0.367 0.000 1.329 161 P CA 0.471 63.106 63.100 -0.774 0.000 0.899 161 P CB 0.357 31.530 31.700 -0.878 0.000 1.378 162 T N -0.326 114.106 114.554 -0.205 0.000 2.493 162 T HA -0.265 4.089 4.350 0.006 0.000 0.256 162 T C 1.256 175.883 174.700 -0.122 0.000 1.195 162 T CA 1.088 63.123 62.100 -0.109 0.000 1.183 162 T CB -1.124 67.730 68.868 -0.023 0.000 0.863 162 T HN 0.046 nan 8.240 nan 0.000 0.418 163 L N -0.322 120.830 121.223 -0.119 0.000 7.699 163 L HA -0.191 4.153 4.340 0.006 0.000 0.055 163 L C 1.878 178.821 176.870 0.121 0.000 1.372 163 L CA 1.079 55.804 54.840 -0.191 0.000 1.462 163 L CB -1.751 40.011 42.059 -0.496 0.000 2.897 163 L HN 0.914 nan 8.230 nan 0.000 1.182 164 G N -1.489 107.409 108.800 0.164 0.000 3.444 164 G HA2 -0.408 3.555 3.960 0.006 0.000 0.222 164 G HA3 -0.408 3.555 3.960 0.006 0.000 0.222 164 G C 0.907 175.960 174.900 0.255 0.000 1.358 164 G CA 1.521 46.733 45.100 0.187 0.000 0.880 164 G HN 0.848 nan 8.290 nan 0.000 0.555 165 S N 0.860 116.720 115.700 0.266 0.000 2.345 165 S HA -0.026 4.448 4.470 0.006 0.000 0.219 165 S C 1.860 176.556 174.600 0.161 0.000 1.031 165 S CA 1.830 60.138 58.200 0.180 0.000 0.984 165 S CB -0.257 63.032 63.200 0.148 0.000 0.874 165 S HN 0.635 nan 8.310 nan 0.000 0.451 166 N N -0.517 118.285 118.700 0.170 0.000 2.236 166 N HA 0.107 4.851 4.740 0.006 0.000 0.196 166 N C -1.018 174.476 175.510 -0.027 0.000 1.114 166 N CA 0.029 53.103 53.050 0.040 0.000 0.859 166 N CB 0.045 38.555 38.487 0.039 0.000 0.982 166 N HN 0.404 nan 8.380 nan 0.000 0.493 167 W N 2.200 123.588 121.300 0.147 0.000 2.338 167 W HA 0.365 5.029 4.660 0.006 0.000 0.307 167 W C 0.543 177.109 176.519 0.079 0.000 1.167 167 W CA -0.365 57.044 57.345 0.106 0.000 1.208 167 W CB 0.981 30.459 29.460 0.029 0.000 1.228 167 W HN -0.165 nan 8.180 nan 0.000 0.499 168 T N 0.031 114.741 114.554 0.262 0.000 2.896 168 T HA 0.886 5.240 4.350 0.006 0.000 0.297 168 T C -0.931 173.855 174.700 0.143 0.000 1.108 168 T CA -1.141 61.056 62.100 0.163 0.000 1.004 168 T CB 1.985 70.911 68.868 0.096 0.000 1.159 168 T HN 0.574 nan 8.240 nan 0.000 0.499 169 A N 1.834 124.714 122.820 0.099 0.000 2.359 169 A HA 0.766 5.089 4.320 0.006 0.000 0.303 169 A C -0.371 177.240 177.584 0.045 0.000 1.066 169 A CA -0.897 51.182 52.037 0.069 0.000 0.730 169 A CB 1.034 20.065 19.000 0.051 0.000 1.211 169 A HN 1.054 nan 8.150 nan 0.000 0.439 170 E N 2.644 122.867 120.200 0.039 0.000 2.320 170 E HA 0.633 4.987 4.350 0.006 0.000 0.264 170 E C -0.463 176.155 176.600 0.030 0.000 0.923 170 E CA -0.939 55.482 56.400 0.036 0.000 0.796 170 E CB 1.062 30.786 29.700 0.041 0.000 1.262 170 E HN 0.277 nan 8.360 nan 0.000 0.428 171 I N 0.219 120.817 120.570 0.046 0.000 2.594 171 I HA 0.167 4.341 4.170 0.006 0.000 0.237 171 I C 0.385 176.547 176.117 0.074 0.000 1.071 171 I CA 0.360 61.696 61.300 0.060 0.000 1.427 171 I CB -0.578 37.499 38.000 0.129 0.000 1.218 171 I HN 0.573 nan 8.210 nan 0.000 0.444 172 S N -0.395 115.360 115.700 0.091 0.000 2.714 172 S HA 0.105 4.578 4.470 0.006 0.000 0.297 172 S C -0.082 174.554 174.600 0.059 0.000 0.993 172 S CA -0.586 57.655 58.200 0.067 0.000 0.844 172 S CB 1.335 64.577 63.200 0.069 0.000 1.043 172 S HN 0.320 nan 8.310 nan 0.000 0.457 173 S N 0.796 116.517 115.700 0.035 0.000 2.596 173 S HA 0.571 5.045 4.470 0.006 0.000 0.248 173 S C -0.005 174.601 174.600 0.009 0.000 1.162 173 S CA -0.003 58.210 58.200 0.021 0.000 1.185 173 S CB -0.462 62.748 63.200 0.016 0.000 0.833 173 S HN 1.295 nan 8.310 nan 0.000 0.472 174 S N -0.406 115.300 115.700 0.010 0.000 2.579 174 S HA 0.592 5.066 4.470 0.006 0.000 0.290 174 S C -0.468 174.132 174.600 0.001 0.000 1.123 174 S CA -0.052 58.148 58.200 -0.001 0.000 0.894 174 S CB 0.862 64.063 63.200 0.002 0.000 1.095 174 S HN 1.177 nan 8.310 nan 0.000 0.450 175 S N 1.274 116.964 115.700 -0.016 0.000 3.772 175 S HA 0.132 4.606 4.470 0.006 0.000 0.595 175 S C -0.441 174.135 174.600 -0.040 0.000 0.670 175 S CA 0.479 58.670 58.200 -0.016 0.000 1.415 175 S CB -1.852 61.355 63.200 0.011 0.000 0.866 175 S HN 2.374 nan 8.310 nan 0.000 0.842 176 S N 1.682 117.311 115.700 -0.119 0.000 2.560 176 S HA 0.800 5.274 4.470 0.006 0.000 0.283 176 S C -0.026 174.432 174.600 -0.236 0.000 1.141 176 S CA -0.087 58.016 58.200 -0.162 0.000 0.902 176 S CB 1.051 64.201 63.200 -0.083 0.000 1.104 176 S HN 2.357 nan 8.310 nan 0.000 0.454 177 G N 0.920 109.540 108.800 -0.301 0.000 2.911 177 G HA2 0.402 4.366 3.960 0.006 0.000 0.686 177 G HA3 0.402 4.366 3.960 0.006 0.000 0.686 177 G C -1.123 173.201 174.900 -0.960 0.000 1.136 177 G CA -0.486 44.362 45.100 -0.420 0.000 0.764 177 G HN 1.887 nan 8.290 nan 0.000 0.626 178 L N -0.222 120.652 121.223 -0.581 0.000 2.630 178 L HA 0.912 5.256 4.340 0.006 0.000 0.258 178 L C 0.889 177.852 176.870 0.154 0.000 1.072 178 L CA -0.614 54.136 54.840 -0.150 0.000 0.885 178 L CB 1.541 43.547 42.059 -0.088 0.000 1.502 178 L HN 2.873 nan 8.230 nan 0.000 0.406 179 A N -0.085 122.831 122.820 0.160 0.000 2.416 179 A HA 0.255 4.579 4.320 0.006 0.000 0.293 179 A C 0.104 177.802 177.584 0.189 0.000 1.452 179 A CA 0.758 52.880 52.037 0.142 0.000 0.738 179 A CB -2.267 16.787 19.000 0.090 0.000 1.123 179 A HN 2.141 nan 8.150 nan 0.000 0.389 180 A N 0.102 123.038 122.820 0.194 0.000 2.365 180 A HA 0.805 5.129 4.320 0.006 0.000 0.318 180 A C -0.260 177.338 177.584 0.023 0.000 1.091 180 A CA -0.028 52.037 52.037 0.047 0.000 0.763 180 A CB 1.990 20.831 19.000 -0.266 0.000 1.248 180 A HN 1.543 nan 8.150 nan 0.000 0.442 181 V N 3.918 123.832 119.914 -0.000 0.000 2.439 181 V HA 0.266 4.389 4.120 0.006 0.000 0.277 181 V C -0.593 175.510 176.094 0.014 0.000 1.008 181 V CA -0.008 62.302 62.300 0.016 0.000 0.846 181 V CB 0.731 32.571 31.823 0.029 0.000 1.031 181 V HN 0.752 nan 8.190 nan 0.000 0.441 182 I N 3.279 123.855 120.570 0.010 0.000 2.365 182 I HA 0.418 4.591 4.170 0.006 0.000 0.291 182 I C 0.377 176.533 176.117 0.065 0.000 1.004 182 I CA 0.142 61.463 61.300 0.035 0.000 1.311 182 I CB 1.575 39.571 38.000 -0.007 0.000 1.401 182 I HN 0.415 nan 8.210 nan 0.000 0.491 183 T N 7.314 121.925 114.554 0.095 0.000 2.779 183 T HA 0.535 4.889 4.350 0.006 0.000 0.280 183 T C -0.162 174.612 174.700 0.124 0.000 0.987 183 T CA -0.520 61.635 62.100 0.093 0.000 0.966 183 T CB 1.126 70.035 68.868 0.069 0.000 0.933 183 T HN 0.282 nan 8.240 nan 0.000 0.442 184 L N 2.717 124.011 121.223 0.119 0.000 2.307 184 L HA 0.689 5.032 4.340 0.006 0.000 0.282 184 L C 1.053 177.973 176.870 0.084 0.000 1.051 184 L CA -0.569 54.344 54.840 0.122 0.000 0.804 184 L CB 1.249 43.383 42.059 0.124 0.000 1.197 184 L HN 0.791 nan 8.230 nan 0.000 0.431 185 G N 2.609 111.444 108.800 0.057 0.000 3.134 185 G HA2 0.382 4.346 3.960 0.006 0.000 0.158 185 G HA3 0.382 4.346 3.960 0.006 0.000 0.158 185 G C -0.390 174.480 174.900 -0.051 0.000 1.334 185 G CA -0.596 44.510 45.100 0.011 0.000 1.001 185 G HN 0.512 nan 8.290 nan 0.000 0.600 186 K N -0.342 120.013 120.400 -0.076 0.000 2.118 186 K HA 0.328 4.652 4.320 0.006 0.000 0.240 186 K C -0.328 176.168 176.600 -0.174 0.000 1.035 186 K CA -0.487 55.709 56.287 -0.150 0.000 0.899 186 K CB 0.835 33.250 32.500 -0.141 0.000 1.085 186 K HN 0.086 nan 8.250 nan 0.000 0.498 187 I N 2.396 122.808 120.570 -0.263 0.000 2.396 187 I HA 0.104 4.278 4.170 0.006 0.000 0.289 187 I C 0.777 176.769 176.117 -0.208 0.000 1.056 187 I CA -0.343 60.812 61.300 -0.241 0.000 1.365 187 I CB -0.088 37.724 38.000 -0.314 0.000 1.407 187 I HN 0.467 nan 8.210 nan 0.000 0.509 188 I N 6.326 126.804 120.570 -0.155 0.000 2.872 188 I HA -0.035 4.139 4.170 0.006 0.000 0.291 188 I C 1.222 177.268 176.117 -0.119 0.000 1.216 188 I CA 0.605 61.829 61.300 -0.126 0.000 1.424 188 I CB 0.373 38.293 38.000 -0.133 0.000 1.351 188 I HN 0.744 nan 8.210 nan 0.000 0.592 189 T N -1.885 112.616 114.554 -0.089 0.000 3.252 189 T HA 0.063 4.417 4.350 0.006 0.000 0.295 189 T C -0.023 174.659 174.700 -0.029 0.000 0.897 189 T CA -0.472 61.594 62.100 -0.057 0.000 0.905 189 T CB -0.082 68.744 68.868 -0.069 0.000 1.202 189 T HN 0.519 nan 8.240 nan 0.000 0.592 190 D N 2.961 123.344 120.400 -0.028 0.000 2.365 190 D HA 0.278 4.922 4.640 0.006 0.000 0.237 190 D C 1.633 177.940 176.300 0.011 0.000 1.190 190 D CA 0.310 54.306 54.000 -0.007 0.000 0.867 190 D CB 1.618 42.416 40.800 -0.005 0.000 1.050 190 D HN 0.267 nan 8.370 nan 0.000 0.491 191 S N 3.064 118.774 115.700 0.017 0.000 2.402 191 S HA -0.119 4.355 4.470 0.006 0.000 0.233 191 S C 1.695 176.353 174.600 0.097 0.000 1.030 191 S CA 1.079 59.305 58.200 0.044 0.000 1.003 191 S CB -0.585 62.631 63.200 0.025 0.000 0.813 191 S HN 0.951 nan 8.310 nan 0.000 0.477 192 G N 0.323 109.158 108.800 0.058 0.000 2.160 192 G HA2 -0.151 3.813 3.960 0.006 0.000 0.244 192 G HA3 -0.151 3.813 3.960 0.006 0.000 0.244 192 G C -0.326 174.558 174.900 -0.026 0.000 1.022 192 G CA 0.229 45.386 45.100 0.095 0.000 0.741 192 G HN 1.107 nan 8.290 nan 0.000 0.508 193 I N -0.766 119.710 120.570 -0.158 0.000 2.753 193 I HA 0.689 4.863 4.170 0.006 0.000 0.291 193 I C -1.378 174.596 176.117 -0.238 0.000 1.425 193 I CA -1.155 59.927 61.300 -0.363 0.000 1.039 193 I CB 1.779 39.333 38.000 -0.744 0.000 1.349 193 I HN 0.263 nan 8.210 nan 0.000 0.430 194 L N 7.743 128.828 121.223 -0.230 0.000 2.439 194 L HA 0.625 4.969 4.340 0.006 0.000 0.270 194 L C -1.747 175.001 176.870 -0.204 0.000 0.972 194 L CA -0.635 54.101 54.840 -0.174 0.000 0.836 194 L CB 1.485 43.479 42.059 -0.109 0.000 1.255 194 L HN 0.548 nan 8.230 nan 0.000 0.404 195 L N 5.222 126.309 121.223 -0.226 0.000 2.272 195 L HA 0.644 4.987 4.340 0.006 0.000 0.289 195 L C 0.375 177.142 176.870 -0.172 0.000 1.032 195 L CA -0.111 54.568 54.840 -0.268 0.000 0.810 195 L CB 1.383 43.193 42.059 -0.415 0.000 1.205 195 L HN 0.799 nan 8.230 nan 0.000 0.422 196 A N 3.235 125.980 122.820 -0.124 0.000 2.336 196 A HA 0.421 4.745 4.320 0.006 0.000 0.212 196 A C 0.330 177.900 177.584 -0.024 0.000 2.317 196 A CA -0.125 51.902 52.037 -0.018 0.000 1.564 196 A CB -0.067 18.960 19.000 0.045 0.000 1.096 196 A HN 0.614 nan 8.150 nan 0.000 0.441 197 E N -0.201 119.999 120.200 0.000 0.000 2.421 197 E HA 0.286 4.640 4.350 0.006 0.000 0.253 197 E C 0.663 177.235 176.600 -0.046 0.000 1.277 197 E CA -0.164 56.246 56.400 0.017 0.000 0.968 197 E CB 0.390 30.120 29.700 0.049 0.000 1.040 197 E HN 0.326 nan 8.360 nan 0.000 0.512 198 I N 1.081 121.641 120.570 -0.018 0.000 3.854 198 I HA -0.080 4.094 4.170 0.006 0.000 0.312 198 I C 1.753 177.867 176.117 -0.005 0.000 1.273 198 I CA 0.541 61.825 61.300 -0.026 0.000 1.298 198 I CB -0.983 37.026 38.000 0.015 0.000 1.071 198 I HN 0.591 nan 8.210 nan 0.000 0.428 199 E N 1.358 121.557 120.200 -0.002 0.000 2.160 199 E HA -0.235 4.119 4.350 0.006 0.000 0.195 199 E C 0.972 177.564 176.600 -0.014 0.000 0.991 199 E CA 1.378 57.776 56.400 -0.003 0.000 0.810 199 E CB -0.357 29.337 29.700 -0.009 0.000 0.742 199 E HN 0.413 nan 8.360 nan 0.000 0.466 200 N N 1.080 119.758 118.700 -0.036 0.000 2.415 200 N HA 0.141 4.885 4.740 0.006 0.000 0.174 200 N C 1.780 177.249 175.510 -0.068 0.000 1.048 200 N CA 1.241 54.260 53.050 -0.052 0.000 0.895 200 N CB -0.219 38.224 38.487 -0.073 0.000 1.036 200 N HN 0.275 nan 8.380 nan 0.000 0.449 201 A N 1.730 124.487 122.820 -0.105 0.000 1.909 201 A HA -0.271 4.052 4.320 0.006 0.000 0.221 201 A C 1.881 179.361 177.584 -0.174 0.000 1.223 201 A CA 2.451 54.357 52.037 -0.219 0.000 0.658 201 A CB -0.621 18.197 19.000 -0.304 0.000 0.831 201 A HN 0.515 nan 8.150 nan 0.000 0.462 202 E N -0.198 120.041 120.200 0.065 0.000 2.489 202 E HA 0.451 4.805 4.350 0.006 0.000 0.193 202 E C 1.393 178.043 176.600 0.084 0.000 1.057 202 E CA 0.870 57.374 56.400 0.175 0.000 0.866 202 E CB -0.643 29.220 29.700 0.272 0.000 0.916 202 E HN 0.476 nan 8.360 nan 0.000 0.500 203 A N 1.118 123.957 122.820 0.031 0.000 2.014 203 A HA 0.260 4.583 4.320 0.006 0.000 0.218 203 A C 2.359 179.936 177.584 -0.011 0.000 1.163 203 A CA 1.268 53.315 52.037 0.016 0.000 0.652 203 A CB -0.500 18.501 19.000 0.002 0.000 0.808 203 A HN 0.385 nan 8.150 nan 0.000 0.449 204 A N -0.974 121.808 122.820 -0.064 0.000 1.975 204 A HA 0.097 4.421 4.320 0.006 0.000 0.215 204 A C 1.963 179.461 177.584 -0.143 0.000 1.170 204 A CA 1.182 53.147 52.037 -0.120 0.000 0.656 204 A CB -0.352 18.533 19.000 -0.193 0.000 0.821 204 A HN 0.378 nan 8.150 nan 0.000 0.449 205 M N 0.196 119.749 119.600 -0.079 0.000 2.549 205 M HA -0.019 4.464 4.480 0.006 0.000 0.260 205 M C 0.173 176.612 176.300 0.232 0.000 1.076 205 M CA 1.087 56.415 55.300 0.048 0.000 1.090 205 M CB -0.995 31.701 32.600 0.160 0.000 1.418 205 M HN 0.240 nan 8.290 nan 0.000 0.486 206 T N 0.328 114.970 114.554 0.145 0.000 3.483 206 T HA 0.503 4.857 4.350 0.006 0.000 0.258 206 T C -0.067 174.700 174.700 0.111 0.000 1.013 206 T CA -0.278 61.909 62.100 0.144 0.000 1.078 206 T CB 0.251 69.183 68.868 0.107 0.000 1.111 206 T HN 0.216 nan 8.240 nan 0.000 0.538 207 A N 1.315 124.220 122.820 0.141 0.000 2.292 207 A HA 0.661 4.984 4.320 0.006 0.000 0.319 207 A C 1.742 179.391 177.584 0.109 0.000 1.206 207 A CA -0.709 51.387 52.037 0.099 0.000 0.835 207 A CB 0.502 19.547 19.000 0.075 0.000 1.164 207 A HN 0.475 nan 8.150 nan 0.000 0.505 208 V N 0.611 120.562 119.914 0.061 0.000 2.250 208 V HA -0.316 3.808 4.120 0.006 0.000 0.253 208 V C 1.538 177.657 176.094 0.041 0.000 1.065 208 V CA 2.585 64.908 62.300 0.039 0.000 1.039 208 V CB -1.077 30.758 31.823 0.020 0.000 0.647 208 V HN 0.823 nan 8.190 nan 0.000 0.446 209 D N -0.501 119.933 120.400 0.057 0.000 2.104 209 D HA -0.158 4.486 4.640 0.006 0.000 0.194 209 D C 1.913 178.272 176.300 0.100 0.000 0.994 209 D CA 2.045 56.080 54.000 0.059 0.000 0.830 209 D CB -0.220 40.615 40.800 0.057 0.000 0.959 209 D HN 0.581 nan 8.370 nan 0.000 0.452 210 F N 2.160 122.101 119.950 -0.016 0.000 2.039 210 F HA -0.160 4.371 4.527 0.007 0.000 0.294 210 F C 2.475 178.266 175.800 -0.014 0.000 1.130 210 F CA 1.317 59.308 58.000 -0.016 0.000 1.189 210 F CB -0.489 38.498 39.000 -0.020 0.000 0.983 210 F HN -0.203 nan 8.300 nan 0.000 0.471 211 Q N 0.539 120.307 119.800 -0.052 0.000 2.308 211 Q HA -0.209 4.135 4.340 0.006 0.000 0.209 211 Q C 2.339 178.240 176.000 -0.164 0.000 0.985 211 Q CA 1.258 56.965 55.803 -0.160 0.000 0.881 211 Q CB -0.873 27.861 28.738 -0.007 0.000 0.917 211 Q HN 0.582 nan 8.270 nan 0.000 0.443 212 A N 1.607 124.361 122.820 -0.109 0.000 1.858 212 A HA -0.205 4.119 4.320 0.006 0.000 0.216 212 A C 1.835 179.331 177.584 -0.146 0.000 1.190 212 A CA 1.622 53.597 52.037 -0.104 0.000 0.617 212 A CB -0.685 18.274 19.000 -0.069 0.000 0.827 212 A HN 0.468 nan 8.150 nan 0.000 0.443 213 N N -0.152 118.462 118.700 -0.144 0.000 2.331 213 N HA -0.023 4.720 4.740 0.006 0.000 0.180 213 N C 1.591 177.042 175.510 -0.099 0.000 1.019 213 N CA 0.932 53.938 53.050 -0.074 0.000 0.881 213 N CB -0.229 38.297 38.487 0.065 0.000 0.972 213 N HN 0.432 nan 8.380 nan 0.000 0.435 214 L N 1.155 122.213 121.223 -0.276 0.000 2.191 214 L HA -0.157 4.187 4.340 0.006 0.000 0.212 214 L C 2.150 178.907 176.870 -0.189 0.000 1.103 214 L CA 1.221 55.884 54.840 -0.294 0.000 0.769 214 L CB -0.184 41.622 42.059 -0.421 0.000 0.908 214 L HN 0.123 nan 8.230 nan 0.000 0.438 215 K N 0.046 120.350 120.400 -0.161 0.000 2.044 215 K HA -0.126 4.198 4.320 0.006 0.000 0.204 215 K C 2.146 178.666 176.600 -0.133 0.000 1.045 215 K CA 0.739 56.953 56.287 -0.121 0.000 0.951 215 K CB -0.040 32.397 32.500 -0.105 0.000 0.738 215 K HN 0.042 nan 8.250 nan 0.000 0.443 216 K N 0.276 120.543 120.400 -0.222 0.000 2.074 216 K HA -0.184 4.140 4.320 0.006 0.000 0.209 216 K C 0.771 177.125 176.600 -0.410 0.000 1.048 216 K CA 1.673 57.714 56.287 -0.410 0.000 0.926 216 K CB -0.001 32.062 32.500 -0.729 0.000 0.713 216 K HN 0.171 nan 8.250 nan 0.000 0.444 217 Y N -0.158 120.149 120.300 0.011 0.000 2.658 217 Y HA 0.286 4.839 4.550 0.006 0.000 0.276 217 Y C 0.694 176.600 175.900 0.011 0.000 1.167 217 Y CA -0.142 57.997 58.100 0.065 0.000 1.230 217 Y CB 0.648 39.137 38.460 0.049 0.000 1.144 217 Y HN 0.197 nan 8.280 nan 0.000 0.529 218 G N 2.284 111.113 108.800 0.048 0.000 2.396 218 G HA2 -0.281 3.682 3.960 0.006 0.000 0.288 218 G HA3 -0.281 3.682 3.960 0.006 0.000 0.288 218 G C 0.040 174.871 174.900 -0.116 0.000 0.926 218 G CA 0.979 46.080 45.100 0.001 0.000 1.211 218 G HN 0.592 nan 8.290 nan 0.000 0.496 219 I N -3.329 117.072 120.570 -0.282 0.000 3.145 219 I HA 0.818 4.992 4.170 0.006 0.000 0.313 219 I C -2.664 173.008 176.117 -0.742 0.000 1.122 219 I CA -3.537 57.387 61.300 -0.628 0.000 0.987 219 I CB 2.174 39.868 38.000 -0.510 0.000 1.236 219 I HN -0.102 nan 8.210 nan 0.000 0.453 220 P HA 0.258 nan 4.420 nan 0.000 0.278 220 P C -0.085 176.852 177.300 -0.604 0.000 1.266 220 P CA -0.334 62.126 63.100 -1.067 0.000 0.807 220 P CB 0.749 31.272 31.700 -1.961 0.000 1.094 221 G N 0.199 108.794 108.800 -0.342 0.000 3.209 221 G HA2 0.400 4.364 3.960 0.006 0.000 0.274 221 G HA3 0.400 4.364 3.960 0.006 0.000 0.274 221 G C -0.698 174.181 174.900 -0.034 0.000 0.850 221 G CA -0.150 44.897 45.100 -0.088 0.000 1.907 221 G HN 0.288 nan 8.290 nan 0.000 0.591 222 V N 2.327 122.171 119.914 -0.117 0.000 2.378 222 V HA 0.584 4.707 4.120 0.006 0.000 0.288 222 V C 0.150 176.231 176.094 -0.021 0.000 1.016 222 V CA -0.793 61.451 62.300 -0.094 0.000 0.840 222 V CB 1.229 32.959 31.823 -0.156 0.000 0.994 222 V HN 0.524 nan 8.190 nan 0.000 0.431 223 V N 1.993 121.903 119.914 -0.007 0.000 3.001 223 V HA 1.016 5.140 4.120 0.006 0.000 0.314 223 V C 0.313 176.406 176.094 -0.002 0.000 1.099 223 V CA -0.965 61.340 62.300 0.008 0.000 0.989 223 V CB 1.851 33.663 31.823 -0.020 0.000 1.040 223 V HN 1.061 nan 8.190 nan 0.000 0.434 224 A N 1.675 124.510 122.820 0.025 0.000 2.483 224 A HA 0.454 4.778 4.320 0.006 0.000 0.238 224 A C 0.817 178.353 177.584 -0.079 0.000 1.070 224 A CA 0.290 52.363 52.037 0.059 0.000 0.770 224 A CB 0.188 19.287 19.000 0.164 0.000 1.008 224 A HN 1.535 nan 8.150 nan 0.000 0.497 225 L N 1.517 122.634 121.223 -0.176 0.000 2.217 225 L HA 0.111 4.455 4.340 0.006 0.000 0.211 225 L C -0.314 176.113 176.870 -0.738 0.000 1.107 225 L CA 1.513 56.058 54.840 -0.491 0.000 0.783 225 L CB -0.339 41.309 42.059 -0.685 0.000 0.919 225 L HN 0.622 nan 8.230 nan 0.000 0.442 226 Y N -0.400 119.562 120.300 -0.563 0.000 2.409 226 Y HA 0.523 5.077 4.550 0.006 0.000 0.343 226 Y C -2.196 173.333 175.900 -0.618 0.000 0.973 226 Y CA -4.049 53.506 58.100 -0.909 0.000 1.064 226 Y CB 0.431 37.684 38.460 -2.013 0.000 1.207 226 Y HN -0.117 nan 8.280 nan 0.000 0.452 227 P HA 0.308 nan 4.420 nan 0.000 0.265 227 P C -0.138 177.177 177.300 0.025 0.000 1.187 227 P CA 0.492 63.543 63.100 -0.083 0.000 0.766 227 P CB 0.576 32.230 31.700 -0.077 0.000 0.820 228 G N 2.141 111.023 108.800 0.136 0.000 2.306 228 G HA2 0.017 3.981 3.960 0.006 0.000 0.340 228 G HA3 0.017 3.981 3.960 0.006 0.000 0.340 228 G C 0.098 175.145 174.900 0.246 0.000 1.630 228 G CA -0.654 44.600 45.100 0.256 0.000 0.937 228 G HN 0.299 nan 8.290 nan 0.000 0.693 229 E N 0.800 121.094 120.200 0.157 0.000 2.333 229 E HA 0.013 4.367 4.350 0.006 0.000 0.198 229 E C 2.485 179.140 176.600 0.093 0.000 1.007 229 E CA 0.516 56.979 56.400 0.104 0.000 0.845 229 E CB 0.099 29.837 29.700 0.063 0.000 0.766 229 E HN 0.501 nan 8.360 nan 0.000 0.507 230 L N 0.005 121.294 121.223 0.109 0.000 2.362 230 L HA -0.054 4.289 4.340 0.006 0.000 0.219 230 L C 2.112 178.954 176.870 -0.045 0.000 1.134 230 L CA 0.881 55.686 54.840 -0.058 0.000 0.807 230 L CB -0.277 41.607 42.059 -0.292 0.000 0.927 230 L HN 0.299 nan 8.230 nan 0.000 0.447 231 G N -1.154 107.771 108.800 0.208 0.000 2.572 231 G HA2 -0.190 3.774 3.960 0.006 0.000 0.216 231 G HA3 -0.190 3.774 3.960 0.006 0.000 0.216 231 G C 0.978 175.959 174.900 0.136 0.000 1.133 231 G CA 0.197 45.455 45.100 0.264 0.000 0.791 231 G HN 0.287 nan 8.290 nan 0.000 0.538 232 D N 0.681 121.136 120.400 0.092 0.000 2.309 232 D HA -0.032 4.611 4.640 0.006 0.000 0.212 232 D C 2.161 178.487 176.300 0.043 0.000 0.968 232 D CA 0.710 54.746 54.000 0.061 0.000 0.882 232 D CB 0.033 40.860 40.800 0.046 0.000 0.918 232 D HN 0.314 nan 8.370 nan 0.000 0.503 233 K N -0.193 120.226 120.400 0.030 0.000 2.459 233 K HA 0.135 4.459 4.320 0.006 0.000 0.193 233 K C 0.706 177.326 176.600 0.034 0.000 1.030 233 K CA 0.074 56.370 56.287 0.015 0.000 1.026 233 K CB 0.636 33.126 32.500 -0.017 0.000 0.809 233 K HN 0.150 nan 8.250 nan 0.000 0.504 234 I N 1.494 122.102 120.570 0.063 0.000 2.519 234 I HA 0.052 4.226 4.170 0.006 0.000 0.287 234 I C 0.136 176.291 176.117 0.063 0.000 1.047 234 I CA -0.013 61.334 61.300 0.077 0.000 1.381 234 I CB 0.885 38.962 38.000 0.129 0.000 1.417 234 I HN 0.076 nan 8.210 nan 0.000 0.540 235 E N 6.630 126.864 120.200 0.056 0.000 2.409 235 E HA 0.316 4.670 4.350 0.006 0.000 0.259 235 E C -1.420 175.222 176.600 0.070 0.000 0.932 235 E CA -0.749 55.687 56.400 0.060 0.000 0.809 235 E CB 1.320 31.051 29.700 0.051 0.000 1.341 235 E HN 0.366 nan 8.360 nan 0.000 0.405 236 I N 3.038 123.655 120.570 0.079 0.000 2.529 236 I HA 0.137 4.311 4.170 0.006 0.000 0.284 236 I C 0.518 176.710 176.117 0.126 0.000 1.082 236 I CA 0.192 61.551 61.300 0.099 0.000 1.406 236 I CB 0.973 39.022 38.000 0.082 0.000 1.405 236 I HN 0.435 nan 8.210 nan 0.000 0.548 237 E N 6.649 126.940 120.200 0.152 0.000 2.145 237 E HA 0.574 4.927 4.350 0.006 0.000 0.270 237 E C -1.303 175.435 176.600 0.229 0.000 0.906 237 E CA -0.514 55.994 56.400 0.180 0.000 0.761 237 E CB 0.967 30.765 29.700 0.163 0.000 1.116 237 E HN 0.491 nan 8.360 nan 0.000 0.408 238 I N 4.489 125.220 120.570 0.268 0.000 2.406 238 I HA 0.394 4.568 4.170 0.006 0.000 0.290 238 I C -0.851 175.464 176.117 0.330 0.000 0.999 238 I CA -1.046 60.461 61.300 0.344 0.000 1.124 238 I CB 1.859 40.115 38.000 0.426 0.000 1.289 238 I HN 0.272 nan 8.210 nan 0.000 0.441 239 V N 4.579 124.688 119.914 0.325 0.000 2.638 239 V HA 0.397 4.521 4.120 0.006 0.000 0.306 239 V C 0.048 176.300 176.094 0.262 0.000 1.052 239 V CA -0.558 61.902 62.300 0.267 0.000 0.885 239 V CB 2.270 34.225 31.823 0.220 0.000 0.999 239 V HN 0.898 nan 8.190 nan 0.000 0.424 240 S N 3.278 119.110 115.700 0.219 0.000 2.693 240 S HA 0.381 4.855 4.470 0.006 0.000 0.276 240 S C 0.982 175.503 174.600 -0.132 0.000 1.192 240 S CA -0.522 57.639 58.200 -0.066 0.000 0.994 240 S CB 1.287 64.475 63.200 -0.020 0.000 1.012 240 S HN 0.749 nan 8.310 nan 0.000 0.550 241 K N 0.100 120.320 120.400 -0.300 0.000 2.286 241 K HA -0.150 4.173 4.320 0.006 0.000 0.203 241 K C 1.842 178.418 176.600 -0.041 0.000 1.045 241 K CA 1.188 57.359 56.287 -0.193 0.000 0.935 241 K CB -0.755 31.599 32.500 -0.245 0.000 0.737 241 K HN 0.706 nan 8.250 nan 0.000 0.460 242 A N 1.662 124.459 122.820 -0.038 0.000 1.823 242 A HA -0.135 4.188 4.320 0.006 0.000 0.214 242 A C 1.256 178.866 177.584 0.044 0.000 1.225 242 A CA 1.814 53.856 52.037 0.008 0.000 0.604 242 A CB -0.626 18.383 19.000 0.016 0.000 0.878 242 A HN 0.380 nan 8.150 nan 0.000 0.450 243 D N -1.831 118.605 120.400 0.060 0.000 2.338 243 D HA 0.053 4.696 4.640 0.006 0.000 0.239 243 D C 0.978 177.331 176.300 0.087 0.000 1.095 243 D CA 0.274 54.309 54.000 0.058 0.000 0.888 243 D CB -0.157 40.675 40.800 0.053 0.000 0.899 243 D HN 0.588 nan 8.370 nan 0.000 0.525 244 Y N 0.985 121.267 120.300 -0.029 0.000 2.314 244 Y HA 0.114 4.668 4.550 0.006 0.000 0.294 244 Y C 2.166 178.052 175.900 -0.022 0.000 1.119 244 Y CA 0.874 58.955 58.100 -0.033 0.000 1.179 244 Y CB -0.078 38.334 38.460 -0.081 0.000 1.025 244 Y HN 0.000 nan 8.280 nan 0.000 0.541 245 A N 0.581 123.368 122.820 -0.055 0.000 1.873 245 A HA -0.136 4.188 4.320 0.006 0.000 0.215 245 A C 2.009 179.514 177.584 -0.133 0.000 1.186 245 A CA 1.554 53.515 52.037 -0.126 0.000 0.616 245 A CB -0.502 18.483 19.000 -0.025 0.000 0.823 245 A HN 0.413 nan 8.150 nan 0.000 0.442 246 K N 0.202 120.559 120.400 -0.072 0.000 2.611 246 K HA 0.034 4.358 4.320 0.006 0.000 0.193 246 K C 1.636 178.193 176.600 -0.071 0.000 1.026 246 K CA 0.282 56.534 56.287 -0.057 0.000 1.063 246 K CB -0.387 32.098 32.500 -0.025 0.000 0.839 246 K HN 0.495 nan 8.250 nan 0.000 0.505 247 G N 1.549 110.268 108.800 -0.135 0.000 2.626 247 G HA2 -0.363 3.601 3.960 0.006 0.000 0.224 247 G HA3 -0.363 3.601 3.960 0.006 0.000 0.224 247 G C 1.429 176.289 174.900 -0.066 0.000 1.095 247 G CA 1.349 46.374 45.100 -0.125 0.000 0.738 247 G HN 0.418 nan 8.290 nan 0.000 0.600 248 A N 0.187 122.964 122.820 -0.072 0.000 1.878 248 A HA 0.221 4.544 4.320 0.006 0.000 0.213 248 A C 2.697 180.267 177.584 -0.023 0.000 1.192 248 A CA 1.958 53.971 52.037 -0.040 0.000 0.619 248 A CB -0.285 18.689 19.000 -0.043 0.000 0.837 248 A HN 0.318 nan 8.150 nan 0.000 0.446 249 S N 0.407 116.092 115.700 -0.026 0.000 2.388 249 S HA 0.297 4.770 4.470 0.006 0.000 0.223 249 S C 1.312 175.905 174.600 -0.011 0.000 1.034 249 S CA 0.271 58.461 58.200 -0.017 0.000 0.963 249 S CB -0.598 62.591 63.200 -0.019 0.000 0.827 249 S HN 0.836 nan 8.310 nan 0.000 0.481 250 A N 2.145 124.959 122.820 -0.011 0.000 2.581 250 A HA 0.068 4.392 4.320 0.006 0.000 0.257 250 A C 0.062 177.647 177.584 0.000 0.000 1.022 250 A CA 0.487 52.522 52.037 -0.003 0.000 0.812 250 A CB -0.632 18.372 19.000 0.007 0.000 0.918 250 A HN 0.526 nan 8.150 nan 0.000 0.516 251 L N 4.839 126.059 121.223 -0.006 0.000 2.389 251 L HA 0.169 4.513 4.340 0.006 0.000 0.265 251 L C -0.035 176.826 176.870 -0.015 0.000 1.167 251 L CA -0.398 54.437 54.840 -0.009 0.000 1.045 251 L CB -0.187 41.863 42.059 -0.015 0.000 1.351 251 L HN 0.618 nan 8.230 nan 0.000 0.419 252 L N 4.138 125.360 121.223 -0.002 0.000 2.578 252 L HA 0.021 4.365 4.340 0.006 0.000 0.279 252 L C -2.000 174.855 176.870 -0.025 0.000 1.227 252 L CA -1.263 53.575 54.840 -0.003 0.000 0.900 252 L CB -0.221 41.860 42.059 0.036 0.000 1.144 252 L HN 0.253 nan 8.230 nan 0.000 0.496 253 P HA 0.382 nan 4.420 nan 0.000 0.281 253 P C -0.718 176.493 177.300 -0.149 0.000 1.264 253 P CA -0.454 62.550 63.100 -0.161 0.000 0.824 253 P CB 1.085 32.605 31.700 -0.300 0.000 1.092 254 I N 1.753 122.201 120.570 -0.204 0.000 2.382 254 I HA 0.311 4.485 4.170 0.006 0.000 0.286 254 I C -0.435 175.590 176.117 -0.153 0.000 1.002 254 I CA -0.720 60.534 61.300 -0.077 0.000 1.135 254 I CB 0.630 38.616 38.000 -0.024 0.000 1.288 254 I HN 0.273 nan 8.210 nan 0.000 0.448 255 Y N 7.339 127.666 120.300 0.046 0.000 2.334 255 Y HA 0.339 4.893 4.550 0.006 0.000 0.328 255 Y C -1.719 174.191 175.900 0.018 0.000 1.130 255 Y CA -1.918 56.208 58.100 0.043 0.000 1.163 255 Y CB 0.816 39.327 38.460 0.084 0.000 1.207 255 Y HN 0.420 nan 8.280 nan 0.000 0.471 256 P HA 0.088 nan 4.420 nan 0.000 0.264 256 P C 1.450 178.754 177.300 0.007 0.000 1.259 256 P CA 0.543 63.693 63.100 0.084 0.000 0.841 256 P CB 0.572 32.284 31.700 0.020 0.000 1.232 257 G N 0.655 109.457 108.800 0.004 0.000 2.672 257 G HA2 0.102 4.065 3.960 0.006 0.000 0.218 257 G HA3 0.102 4.065 3.960 0.006 0.000 0.218 257 G C 0.817 175.693 174.900 -0.041 0.000 1.238 257 G CA 1.156 46.247 45.100 -0.015 0.000 0.791 257 G HN 0.633 nan 8.290 nan 0.000 0.606 258 G N -3.265 105.491 108.800 -0.073 0.000 2.325 258 G HA2 0.535 4.499 3.960 0.006 0.000 0.285 258 G HA3 0.535 4.499 3.960 0.006 0.000 0.285 258 G C 0.401 175.246 174.900 -0.092 0.000 1.303 258 G CA 0.352 45.392 45.100 -0.100 0.000 0.970 258 G HN 2.183 nan 8.290 nan 0.000 0.490 259 G N -1.942 106.808 108.800 -0.084 0.000 2.939 259 G HA2 0.447 4.411 3.960 0.006 0.000 0.278 259 G HA3 0.447 4.411 3.960 0.006 0.000 0.278 259 G C 0.436 175.290 174.900 -0.077 0.000 1.487 259 G CA 1.022 46.083 45.100 -0.065 0.000 0.935 259 G HN 2.788 nan 8.290 nan 0.000 0.553 260 T N -2.593 111.929 114.554 -0.053 0.000 2.773 260 T HA 0.853 5.206 4.350 0.006 0.000 0.278 260 T C -0.185 174.501 174.700 -0.022 0.000 1.011 260 T CA -0.132 61.940 62.100 -0.047 0.000 1.014 260 T CB 2.493 71.333 68.868 -0.046 0.000 1.293 260 T HN 1.426 nan 8.240 nan 0.000 0.554 261 R N -0.216 120.277 120.500 -0.011 0.000 2.647 261 R HA 0.551 4.894 4.340 0.006 0.000 0.260 261 R C -0.900 175.406 176.300 0.010 0.000 1.154 261 R CA -0.542 55.559 56.100 0.002 0.000 1.029 261 R CB 1.418 31.724 30.300 0.011 0.000 1.262 261 R HN 1.158 nan 8.270 nan 0.000 0.437 262 A N 2.921 125.746 122.820 0.008 0.000 2.584 262 A HA 0.099 4.423 4.320 0.006 0.000 0.239 262 A C 0.592 178.191 177.584 0.025 0.000 1.043 262 A CA 0.855 52.898 52.037 0.011 0.000 0.756 262 A CB 0.401 19.405 19.000 0.007 0.000 0.963 262 A HN 0.757 nan 8.150 nan 0.000 0.511 263 S N 0.679 116.397 115.700 0.029 0.000 2.598 263 S HA 0.299 4.773 4.470 0.006 0.000 0.256 263 S C 1.333 175.966 174.600 0.055 0.000 1.350 263 S CA 0.718 58.950 58.200 0.053 0.000 0.984 263 S CB 0.366 63.599 63.200 0.055 0.000 0.930 263 S HN 1.724 nan 8.310 nan 0.000 0.577 264 T N -1.520 113.087 114.554 0.089 0.000 3.131 264 T HA 0.400 4.753 4.350 0.006 0.000 0.283 264 T C 1.561 176.349 174.700 0.147 0.000 0.906 264 T CA 0.721 62.874 62.100 0.089 0.000 0.882 264 T CB -0.664 68.252 68.868 0.080 0.000 1.208 264 T HN 0.753 nan 8.240 nan 0.000 0.561 265 A N 3.039 125.989 122.820 0.217 0.000 1.863 265 A HA -0.210 4.113 4.320 0.006 0.000 0.218 265 A C 2.158 180.000 177.584 0.430 0.000 1.233 265 A CA 2.640 54.925 52.037 0.414 0.000 0.655 265 A CB -1.085 18.168 19.000 0.421 0.000 0.839 265 A HN 0.527 nan 8.150 nan 0.000 0.454 266 K N 0.164 120.611 120.400 0.078 0.000 2.360 266 K HA 0.063 4.386 4.320 0.006 0.000 0.201 266 K C 1.207 177.838 176.600 0.052 0.000 1.046 266 K CA 1.369 57.597 56.287 -0.099 0.000 0.945 266 K CB -0.459 31.760 32.500 -0.470 0.000 0.750 266 K HN 0.409 nan 8.250 nan 0.000 0.464 267 A N -0.349 122.513 122.820 0.070 0.000 2.462 267 A HA 0.299 4.623 4.320 0.006 0.000 0.261 267 A C 0.806 178.418 177.584 0.046 0.000 1.323 267 A CA 0.011 52.076 52.037 0.046 0.000 0.913 267 A CB 0.259 19.273 19.000 0.023 0.000 1.028 267 A HN 0.102 nan 8.150 nan 0.000 0.511 268 V N -2.289 117.672 119.914 0.078 0.000 3.157 268 V HA 0.257 4.381 4.120 0.006 0.000 0.253 268 V C -0.401 175.581 176.094 -0.185 0.000 1.637 268 V CA 0.115 62.369 62.300 -0.078 0.000 1.058 268 V CB -0.025 31.705 31.823 -0.156 0.000 0.917 268 V HN 0.375 nan 8.190 nan 0.000 0.417 269 F N 0.509 120.541 119.950 0.137 0.000 2.443 269 F HA 0.707 5.237 4.527 0.006 0.000 0.335 269 F C 1.301 177.207 175.800 0.176 0.000 1.104 269 F CA 0.275 58.373 58.000 0.164 0.000 1.013 269 F CB 1.779 40.905 39.000 0.211 0.000 1.136 269 F HN -0.011 nan 8.300 nan 0.000 0.470 270 G N 1.281 110.283 108.800 0.335 0.000 2.610 270 G HA2 -0.163 3.801 3.960 0.006 0.000 0.215 270 G HA3 -0.163 3.801 3.960 0.006 0.000 0.215 270 G C -0.271 174.826 174.900 0.328 0.000 1.243 270 G CA 0.124 45.388 45.100 0.274 0.000 0.847 270 G HN 0.505 nan 8.290 nan 0.000 0.560 271 Y N 3.455 123.866 120.300 0.186 0.000 2.783 271 Y HA 0.409 4.962 4.550 0.006 0.000 0.359 271 Y C 1.055 176.976 175.900 0.035 0.000 1.220 271 Y CA -0.646 57.523 58.100 0.114 0.000 1.649 271 Y CB -0.301 38.222 38.460 0.105 0.000 1.273 271 Y HN 0.183 nan 8.280 nan 0.000 0.506 272 G N 6.427 115.078 108.800 -0.248 0.000 2.616 272 G HA2 0.334 4.298 3.960 0.006 0.000 0.268 272 G HA3 0.334 4.298 3.960 0.006 0.000 0.268 272 G C -2.784 171.593 174.900 -0.872 0.000 1.213 272 G CA -1.710 42.981 45.100 -0.680 0.000 0.926 272 G HN 0.482 nan 8.290 nan 0.000 0.523 273 P HA 0.083 nan 4.420 nan 0.000 0.266 273 P C 0.388 177.381 177.300 -0.512 0.000 1.215 273 P CA -0.012 62.674 63.100 -0.690 0.000 0.763 273 P CB 1.100 32.402 31.700 -0.664 0.000 0.806 274 Q N 1.487 121.033 119.800 -0.424 0.000 1.967 274 Q HA 0.006 4.350 4.340 0.006 0.000 0.196 274 Q C 1.037 176.908 176.000 -0.215 0.000 0.978 274 Q CA 1.371 56.990 55.803 -0.307 0.000 0.833 274 Q CB -1.165 27.421 28.738 -0.253 0.000 0.898 274 Q HN 0.550 nan 8.270 nan 0.000 0.446 275 T N -0.637 113.806 114.554 -0.185 0.000 2.766 275 T HA 0.064 4.418 4.350 0.006 0.000 0.295 275 T C 0.289 174.873 174.700 -0.194 0.000 1.024 275 T CA -0.108 61.902 62.100 -0.150 0.000 1.018 275 T CB 0.454 69.254 68.868 -0.113 0.000 1.002 275 T HN 0.019 nan 8.240 nan 0.000 0.532 276 D N 0.199 120.506 120.400 -0.155 0.000 2.348 276 D HA 0.020 4.664 4.640 0.006 0.000 0.216 276 D C 1.530 177.687 176.300 -0.240 0.000 0.970 276 D CA 0.961 54.854 54.000 -0.178 0.000 0.889 276 D CB -0.077 40.665 40.800 -0.097 0.000 0.912 276 D HN 0.637 nan 8.370 nan 0.000 0.524 277 S N -0.677 114.914 115.700 -0.182 0.000 2.573 277 S HA 0.187 4.661 4.470 0.006 0.000 0.244 277 S C 0.350 174.854 174.600 -0.160 0.000 0.984 277 S CA -0.632 57.499 58.200 -0.114 0.000 1.001 277 S CB 0.088 63.277 63.200 -0.018 0.000 0.788 277 S HN 0.067 nan 8.310 nan 0.000 0.456 278 Q N 0.541 120.130 119.800 -0.352 0.000 2.306 278 Q HA 0.585 4.929 4.340 0.006 0.000 0.265 278 Q C -1.608 174.080 176.000 -0.521 0.000 1.022 278 Q CA -0.664 54.958 55.803 -0.301 0.000 0.853 278 Q CB 1.734 30.308 28.738 -0.273 0.000 1.327 278 Q HN 0.541 nan 8.270 nan 0.000 0.449 279 Y N -0.571 119.593 120.300 -0.227 0.000 2.512 279 Y HA 0.574 5.127 4.550 0.006 0.000 0.348 279 Y C -0.359 175.421 175.900 -0.200 0.000 0.990 279 Y CA -1.203 56.816 58.100 -0.134 0.000 1.033 279 Y CB 1.913 40.402 38.460 0.048 0.000 1.259 279 Y HN 0.656 nan 8.280 nan 0.000 0.461 280 A N 3.071 125.847 122.820 -0.072 0.000 2.309 280 A HA 0.689 5.013 4.320 0.006 0.000 0.290 280 A C -1.031 176.602 177.584 0.082 0.000 1.206 280 A CA -0.266 51.608 52.037 -0.272 0.000 0.850 280 A CB -0.351 18.367 19.000 -0.469 0.000 1.118 280 A HN 0.590 nan 8.150 nan 0.000 0.523 281 I N 2.947 123.610 120.570 0.155 0.000 2.406 281 I HA 0.401 4.575 4.170 0.006 0.000 0.290 281 I C -0.384 175.935 176.117 0.336 0.000 0.999 281 I CA 0.150 61.612 61.300 0.271 0.000 1.124 281 I CB 1.676 39.834 38.000 0.263 0.000 1.289 281 I HN 0.505 nan 8.210 nan 0.000 0.441 282 I N 6.836 127.574 120.570 0.279 0.000 2.448 282 I HA 0.332 4.506 4.170 0.006 0.000 0.281 282 I C -0.761 175.434 176.117 0.130 0.000 1.027 282 I CA -0.734 60.694 61.300 0.213 0.000 1.111 282 I CB 1.534 39.664 38.000 0.215 0.000 1.236 282 I HN 0.137 nan 8.210 nan 0.000 0.452 283 V N 7.113 127.077 119.914 0.082 0.000 2.465 283 V HA 0.441 4.564 4.120 0.006 0.000 0.279 283 V C 0.238 176.309 176.094 -0.038 0.000 1.045 283 V CA -0.335 61.983 62.300 0.030 0.000 0.938 283 V CB 1.420 33.250 31.823 0.011 0.000 0.986 283 V HN 0.648 nan 8.190 nan 0.000 0.467 284 R N 3.729 124.219 120.500 -0.016 0.000 2.621 284 R HA 0.641 4.985 4.340 0.006 0.000 0.292 284 R C -0.657 175.630 176.300 -0.022 0.000 0.969 284 R CA -0.846 55.236 56.100 -0.030 0.000 0.887 284 R CB 2.565 32.867 30.300 0.003 0.000 1.180 284 R HN 0.628 nan 8.270 nan 0.000 0.450 285 R N 2.542 123.021 120.500 -0.034 0.000 2.473 285 R HA 0.189 4.533 4.340 0.006 0.000 0.303 285 R C -0.855 175.441 176.300 -0.007 0.000 1.002 285 R CA -0.376 55.721 56.100 -0.004 0.000 0.884 285 R CB 0.606 30.919 30.300 0.022 0.000 1.173 285 R HN 0.680 nan 8.270 nan 0.000 0.464 286 N N 3.862 122.560 118.700 -0.003 0.000 2.783 286 N HA -0.169 4.575 4.740 0.006 0.000 0.247 286 N C -0.927 174.580 175.510 -0.004 0.000 1.089 286 N CA 1.574 54.622 53.050 -0.004 0.000 0.690 286 N CB -0.850 37.633 38.487 -0.007 0.000 0.991 286 N HN 0.955 nan 8.380 nan 0.000 0.552 287 D N -4.121 116.278 120.400 -0.002 0.000 2.837 287 D HA -0.206 4.437 4.640 0.006 0.000 0.195 287 D C 0.338 176.633 176.300 -0.008 0.000 1.033 287 D CA 1.735 55.734 54.000 -0.002 0.000 1.021 287 D CB -1.430 39.370 40.800 -0.001 0.000 1.101 287 D HN 0.756 nan 8.370 nan 0.000 0.431 288 A N 0.437 123.248 122.820 -0.015 0.000 2.366 288 A HA 0.527 4.851 4.320 0.006 0.000 0.272 288 A C 0.525 178.083 177.584 -0.044 0.000 1.135 288 A CA -0.348 51.674 52.037 -0.025 0.000 0.804 288 A CB 0.223 19.210 19.000 -0.022 0.000 1.064 288 A HN 0.111 nan 8.150 nan 0.000 0.499 289 I N 3.943 124.486 120.570 -0.045 0.000 2.268 289 I HA 0.026 4.199 4.170 0.006 0.000 0.298 289 I C 1.335 177.395 176.117 -0.095 0.000 1.185 289 I CA 0.370 61.635 61.300 -0.059 0.000 1.548 289 I CB 0.026 37.995 38.000 -0.052 0.000 1.492 289 I HN 0.441 nan 8.210 nan 0.000 0.711 290 V N 3.400 123.218 119.914 -0.161 0.000 2.490 290 V HA -0.170 3.954 4.120 0.006 0.000 0.250 290 V C 0.969 176.899 176.094 -0.272 0.000 1.061 290 V CA 1.611 63.735 62.300 -0.293 0.000 1.064 290 V CB -0.361 31.080 31.823 -0.638 0.000 0.670 290 V HN 0.885 nan 8.190 nan 0.000 0.461 291 Q N -0.719 118.973 119.800 -0.179 0.000 2.472 291 Q HA 0.484 4.827 4.340 0.006 0.000 0.281 291 Q C -1.306 174.700 176.000 0.010 0.000 0.997 291 Q CA -0.303 55.467 55.803 -0.055 0.000 0.828 291 Q CB 2.355 31.090 28.738 -0.005 0.000 1.443 291 Q HN 0.232 nan 8.270 nan 0.000 0.390 292 S N 1.450 117.172 115.700 0.038 0.000 2.750 292 S HA 0.753 5.226 4.470 0.006 0.000 0.276 292 S C -1.517 173.201 174.600 0.197 0.000 1.165 292 S CA -0.572 57.669 58.200 0.068 0.000 1.047 292 S CB 1.521 64.584 63.200 -0.229 0.000 1.056 292 S HN 0.587 nan 8.310 nan 0.000 0.481 293 V N 2.777 122.896 119.914 0.341 0.000 3.159 293 V HA 0.810 4.934 4.120 0.006 0.000 0.308 293 V C -1.492 174.662 176.094 0.099 0.000 1.190 293 V CA -0.624 61.789 62.300 0.189 0.000 1.037 293 V CB 2.371 34.145 31.823 -0.083 0.000 1.060 293 V HN 0.892 nan 8.190 nan 0.000 0.437 294 V N 5.293 125.161 119.914 -0.077 0.000 2.444 294 V HA 0.597 4.720 4.120 0.006 0.000 0.294 294 V C -0.424 175.520 176.094 -0.250 0.000 1.022 294 V CA -0.327 61.849 62.300 -0.207 0.000 0.850 294 V CB 1.446 33.121 31.823 -0.247 0.000 0.992 294 V HN 0.686 nan 8.190 nan 0.000 0.426 295 L N 2.967 124.046 121.223 -0.239 0.000 2.283 295 L HA 0.746 5.090 4.340 0.006 0.000 0.259 295 L C -0.193 176.566 176.870 -0.185 0.000 1.027 295 L CA -0.569 54.105 54.840 -0.278 0.000 0.828 295 L CB 2.418 44.255 42.059 -0.369 0.000 1.380 295 L HN 0.618 nan 8.230 nan 0.000 0.425 296 S N -1.330 114.279 115.700 -0.151 0.000 2.536 296 S HA 0.382 4.856 4.470 0.006 0.000 0.298 296 S C 0.424 175.002 174.600 -0.038 0.000 1.083 296 S CA -0.075 58.079 58.200 -0.077 0.000 0.995 296 S CB 1.684 64.865 63.200 -0.032 0.000 1.058 296 S HN 0.759 nan 8.310 nan 0.000 0.488 297 T N 0.460 114.986 114.554 -0.046 0.000 3.107 297 T HA 0.294 4.648 4.350 0.006 0.000 0.249 297 T C 0.327 175.114 174.700 0.146 0.000 1.096 297 T CA 0.060 62.166 62.100 0.011 0.000 1.012 297 T CB -0.285 68.495 68.868 -0.147 0.000 0.977 297 T HN 0.468 nan 8.240 nan 0.000 0.527 298 K N 1.701 122.137 120.400 0.060 0.000 2.307 298 K HA 0.401 4.724 4.320 0.006 0.000 0.263 298 K C -0.116 176.339 176.600 -0.242 0.000 0.973 298 K CA -0.857 55.375 56.287 -0.093 0.000 0.846 298 K CB 0.946 33.407 32.500 -0.066 0.000 1.100 298 K HN 0.175 nan 8.250 nan 0.000 0.438 299 R N 1.821 121.958 120.500 -0.605 0.000 2.758 299 R HA -0.018 4.326 4.340 0.006 0.000 0.263 299 R C 1.015 177.163 176.300 -0.254 0.000 1.010 299 R CA 1.426 57.111 56.100 -0.691 0.000 1.114 299 R CB 0.172 30.083 30.300 -0.648 0.000 0.985 299 R HN 1.061 nan 8.270 nan 0.000 0.439 300 G N 1.086 109.802 108.800 -0.139 0.000 2.900 300 G HA2 -0.310 3.654 3.960 0.006 0.000 0.223 300 G HA3 -0.310 3.654 3.960 0.006 0.000 0.223 300 G C 0.594 175.482 174.900 -0.019 0.000 1.293 300 G CA -0.134 44.931 45.100 -0.058 0.000 0.792 300 G HN 0.972 nan 8.290 nan 0.000 0.527 301 G N 1.204 109.987 108.800 -0.028 0.000 2.238 301 G HA2 0.366 4.329 3.960 0.006 0.000 0.234 301 G HA3 0.366 4.329 3.960 0.006 0.000 0.234 301 G C 0.052 174.962 174.900 0.017 0.000 1.181 301 G CA 1.239 46.334 45.100 -0.009 0.000 0.871 301 G HN 0.816 nan 8.290 nan 0.000 0.490 302 K N 0.995 121.409 120.400 0.024 0.000 2.444 302 K HA 0.358 4.682 4.320 0.006 0.000 0.252 302 K C -0.360 176.285 176.600 0.075 0.000 0.993 302 K CA -0.986 55.328 56.287 0.045 0.000 0.847 302 K CB 1.666 34.195 32.500 0.048 0.000 1.340 302 K HN 0.614 nan 8.250 nan 0.000 0.446 303 D N 0.455 120.916 120.400 0.103 0.000 2.376 303 D HA 0.016 4.660 4.640 0.006 0.000 0.268 303 D C 1.047 177.439 176.300 0.154 0.000 1.252 303 D CA -0.324 53.782 54.000 0.176 0.000 1.041 303 D CB 0.136 41.017 40.800 0.134 0.000 1.109 303 D HN 0.567 nan 8.370 nan 0.000 0.552 304 I N -3.285 117.343 120.570 0.096 0.000 3.551 304 I HA 0.060 4.234 4.170 0.006 0.000 0.307 304 I C -0.028 175.931 176.117 -0.264 0.000 1.215 304 I CA 0.135 61.382 61.300 -0.088 0.000 1.195 304 I CB -1.054 36.772 38.000 -0.290 0.000 0.998 304 I HN 0.190 nan 8.210 nan 0.000 0.510 305 Y N -0.043 120.212 120.300 -0.075 0.000 2.767 305 Y HA 0.187 4.741 4.550 0.006 0.000 0.254 305 Y C 0.081 175.966 175.900 -0.026 0.000 1.133 305 Y CA -0.763 57.305 58.100 -0.053 0.000 1.225 305 Y CB 0.347 38.770 38.460 -0.061 0.000 1.312 305 Y HN 0.177 nan 8.280 nan 0.000 0.560 306 D N 0.388 120.851 120.400 0.105 0.000 2.911 306 D HA -0.173 4.471 4.640 0.006 0.000 0.227 306 D C -0.461 175.885 176.300 0.077 0.000 1.164 306 D CA 1.129 55.170 54.000 0.069 0.000 0.782 306 D CB -1.136 39.688 40.800 0.041 0.000 1.094 306 D HN 0.092 nan 8.370 nan 0.000 0.425 307 S N 0.387 116.144 115.700 0.094 0.000 2.439 307 S HA 0.182 4.655 4.470 0.006 0.000 0.282 307 S C 0.400 175.035 174.600 0.059 0.000 1.170 307 S CA -0.760 57.481 58.200 0.069 0.000 1.054 307 S CB 0.884 64.112 63.200 0.048 0.000 0.956 307 S HN 0.329 nan 8.310 nan 0.000 0.490 308 N N 3.503 122.241 118.700 0.064 0.000 2.411 308 N HA -0.059 4.685 4.740 0.006 0.000 0.282 308 N C 0.475 176.031 175.510 0.076 0.000 1.322 308 N CA 0.020 53.114 53.050 0.073 0.000 0.943 308 N CB -0.199 38.339 38.487 0.085 0.000 1.266 308 N HN 0.711 nan 8.380 nan 0.000 0.486 309 I N 0.595 121.187 120.570 0.037 0.000 3.874 309 I HA 0.237 4.411 4.170 0.006 0.000 0.331 309 I C -0.249 175.849 176.117 -0.031 0.000 1.489 309 I CA -0.911 60.355 61.300 -0.057 0.000 1.187 309 I CB -0.473 37.453 38.000 -0.123 0.000 1.150 309 I HN 0.259 nan 8.210 nan 0.000 0.412 310 Y N 2.431 122.692 120.300 -0.065 0.000 2.496 310 Y HA 0.277 4.831 4.550 0.006 0.000 0.334 310 Y C 1.172 177.047 175.900 -0.041 0.000 1.080 310 Y CA -0.826 57.236 58.100 -0.064 0.000 1.355 310 Y CB 0.519 38.961 38.460 -0.031 0.000 1.193 310 Y HN 0.207 nan 8.280 nan 0.000 0.523 311 I N 3.817 124.094 120.570 -0.489 0.000 2.094 311 I HA -0.508 3.666 4.170 0.006 0.000 0.236 311 I C 2.051 177.958 176.117 -0.351 0.000 1.016 311 I CA 2.140 63.218 61.300 -0.371 0.000 1.294 311 I CB -0.265 37.559 38.000 -0.293 0.000 1.006 311 I HN 0.674 nan 8.210 nan 0.000 0.397 312 D N 0.508 120.472 120.400 -0.727 0.000 2.172 312 D HA -0.212 4.432 4.640 0.006 0.000 0.196 312 D C 1.700 177.891 176.300 -0.181 0.000 0.999 312 D CA 1.788 55.565 54.000 -0.371 0.000 0.856 312 D CB -0.272 40.336 40.800 -0.319 0.000 0.934 312 D HN 0.452 nan 8.370 nan 0.000 0.453 313 D N -0.277 120.018 120.400 -0.176 0.000 2.120 313 D HA -0.090 4.553 4.640 0.006 0.000 0.202 313 D C 1.823 178.097 176.300 -0.044 0.000 0.972 313 D CA 0.123 54.120 54.000 -0.005 0.000 0.837 313 D CB -0.667 40.203 40.800 0.117 0.000 0.989 313 D HN 0.150 nan 8.370 nan 0.000 0.469 314 F N 1.241 121.042 119.950 -0.247 0.000 2.063 314 F HA -0.311 4.220 4.527 0.007 0.000 0.298 314 F C 1.939 177.496 175.800 -0.405 0.000 1.105 314 F CA 1.616 59.396 58.000 -0.367 0.000 1.215 314 F CB -0.547 38.109 39.000 -0.573 0.000 0.972 314 F HN -0.132 nan 8.300 nan 0.000 0.483 315 F N 0.293 120.041 119.950 -0.338 0.000 2.367 315 F HA 0.105 4.635 4.527 0.006 0.000 0.298 315 F C 2.528 178.118 175.800 -0.350 0.000 1.094 315 F CA 0.830 58.501 58.000 -0.548 0.000 1.409 315 F CB -1.452 36.994 39.000 -0.925 0.000 1.064 315 F HN 0.072 nan 8.300 nan 0.000 0.528 316 A N -0.037 122.742 122.820 -0.068 0.000 2.131 316 A HA -0.146 4.178 4.320 0.006 0.000 0.220 316 A C 1.032 178.641 177.584 0.042 0.000 1.158 316 A CA 1.134 53.213 52.037 0.069 0.000 0.665 316 A CB -0.662 18.373 19.000 0.058 0.000 0.795 316 A HN 0.338 nan 8.150 nan 0.000 0.460 317 K N -0.807 119.556 120.400 -0.062 0.000 2.679 317 K HA 0.405 4.729 4.320 0.006 0.000 0.188 317 K C 0.477 176.994 176.600 -0.139 0.000 1.055 317 K CA 0.010 56.254 56.287 -0.071 0.000 1.006 317 K CB 0.574 33.031 32.500 -0.070 0.000 1.317 317 K HN 0.328 nan 8.250 nan 0.000 0.584 318 G N 1.415 110.171 108.800 -0.074 0.000 2.449 318 G HA2 -0.334 3.630 3.960 0.006 0.000 0.304 318 G HA3 -0.334 3.630 3.960 0.006 0.000 0.304 318 G C 0.903 175.675 174.900 -0.213 0.000 0.962 318 G CA 0.644 45.695 45.100 -0.082 0.000 0.943 318 G HN 0.730 nan 8.290 nan 0.000 0.514 319 G N -1.136 107.394 108.800 -0.451 0.000 2.432 319 G HA2 0.247 4.211 3.960 0.006 0.000 0.219 319 G HA3 0.247 4.211 3.960 0.006 0.000 0.219 319 G C 0.732 175.279 174.900 -0.589 0.000 1.135 319 G CA 1.438 45.910 45.100 -1.047 0.000 0.767 319 G HN 1.315 nan 8.290 nan 0.000 0.550 320 S N -1.475 114.137 115.700 -0.147 0.000 2.566 320 S HA 0.345 4.819 4.470 0.006 0.000 0.273 320 S C 0.267 174.967 174.600 0.167 0.000 1.157 320 S CA -0.580 57.712 58.200 0.155 0.000 0.938 320 S CB 1.767 65.230 63.200 0.439 0.000 1.087 320 S HN 0.245 nan 8.310 nan 0.000 0.474 321 E N 2.113 122.431 120.200 0.196 0.000 2.358 321 E HA -0.041 4.312 4.350 0.006 0.000 0.195 321 E C 0.156 176.677 176.600 -0.132 0.000 1.010 321 E CA 1.010 57.407 56.400 -0.005 0.000 0.856 321 E CB 0.177 29.797 29.700 -0.132 0.000 0.795 321 E HN 0.766 nan 8.360 nan 0.000 0.504 322 Y N -0.371 119.998 120.300 0.114 0.000 2.506 322 Y HA 0.203 4.757 4.550 0.007 0.000 0.287 322 Y C 1.431 177.371 175.900 0.067 0.000 1.147 322 Y CA -0.336 57.849 58.100 0.142 0.000 1.241 322 Y CB 0.531 39.086 38.460 0.160 0.000 1.279 322 Y HN -0.066 nan 8.280 nan 0.000 0.527 323 I N -3.644 117.077 120.570 0.252 0.000 3.436 323 I HA 0.650 4.824 4.170 0.006 0.000 0.300 323 I C -1.623 174.469 176.117 -0.041 0.000 1.131 323 I CA -1.079 60.277 61.300 0.094 0.000 1.001 323 I CB 2.866 40.924 38.000 0.096 0.000 1.305 323 I HN -0.054 nan 8.210 nan 0.000 0.494 324 F N 1.074 120.738 119.950 -0.476 0.000 2.622 324 F HA 0.777 5.307 4.527 0.006 0.000 0.318 324 F C -0.900 174.438 175.800 -0.771 0.000 1.135 324 F CA -0.146 57.392 58.000 -0.770 0.000 1.015 324 F CB 1.809 40.578 39.000 -0.385 0.000 1.275 324 F HN 0.923 nan 8.300 nan 0.000 0.457 325 A N 2.567 124.640 122.820 -1.246 0.000 2.524 325 A HA 0.888 5.212 4.320 0.006 0.000 0.286 325 A C -1.238 176.242 177.584 -0.172 0.000 1.203 325 A CA -0.642 51.127 52.037 -0.447 0.000 0.736 325 A CB 1.958 20.820 19.000 -0.231 0.000 1.322 325 A HN 0.734 nan 8.150 nan 0.000 0.424 326 T N -1.173 113.422 114.554 0.067 0.000 3.105 326 T HA 0.518 4.872 4.350 0.006 0.000 0.321 326 T C 0.641 175.445 174.700 0.173 0.000 1.135 326 T CA 0.436 62.590 62.100 0.089 0.000 1.053 326 T CB 1.286 70.234 68.868 0.133 0.000 1.133 326 T HN 1.751 nan 8.240 nan 0.000 0.463 327 A N 3.306 126.167 122.820 0.069 0.000 2.125 327 A HA 0.068 4.392 4.320 0.006 0.000 0.219 327 A C 1.193 178.895 177.584 0.197 0.000 1.156 327 A CA 0.905 53.005 52.037 0.105 0.000 0.671 327 A CB -0.570 18.492 19.000 0.102 0.000 0.794 327 A HN 0.798 nan 8.150 nan 0.000 0.459 328 Q N 0.244 120.141 119.800 0.162 0.000 2.274 328 Q HA 0.077 4.421 4.340 0.006 0.000 0.280 328 Q C 0.021 176.081 176.000 0.101 0.000 1.047 328 Q CA 0.465 56.345 55.803 0.129 0.000 0.907 328 Q CB 0.033 28.838 28.738 0.112 0.000 1.171 328 Q HN 0.471 nan 8.270 nan 0.000 0.381 329 N N 1.998 120.746 118.700 0.080 0.000 2.753 329 N HA -0.231 4.512 4.740 0.006 0.000 0.251 329 N C -1.406 174.114 175.510 0.018 0.000 1.097 329 N CA 0.843 53.908 53.050 0.026 0.000 0.786 329 N CB -1.017 37.443 38.487 -0.045 0.000 1.137 329 N HN 0.675 nan 8.380 nan 0.000 0.566 330 W N 2.875 124.102 121.300 -0.121 0.000 2.469 330 W HA 0.179 4.842 4.660 0.006 0.000 0.321 330 W C -2.035 174.398 176.519 -0.144 0.000 1.415 330 W CA -1.199 56.025 57.345 -0.202 0.000 1.308 330 W CB -0.124 29.208 29.460 -0.214 0.000 1.368 330 W HN 0.034 nan 8.180 nan 0.000 0.546 331 P HA -0.062 nan 4.420 nan 0.000 0.264 331 P C -0.465 177.029 177.300 0.324 0.000 1.193 331 P CA 0.722 63.883 63.100 0.101 0.000 0.763 331 P CB 0.459 32.210 31.700 0.084 0.000 0.810 332 E N 1.875 122.247 120.200 0.286 0.000 2.415 332 E HA 0.189 4.543 4.350 0.006 0.000 0.263 332 E C 1.257 178.080 176.600 0.372 0.000 0.995 332 E CA 0.587 57.188 56.400 0.335 0.000 0.915 332 E CB -0.064 29.763 29.700 0.210 0.000 0.951 332 E HN 0.760 nan 8.360 nan 0.000 0.449 333 G N 3.679 112.783 108.800 0.506 0.000 2.212 333 G HA2 -0.341 3.623 3.960 0.006 0.000 0.267 333 G HA3 -0.341 3.623 3.960 0.006 0.000 0.267 333 G C 0.074 175.236 174.900 0.438 0.000 1.002 333 G CA 0.317 45.663 45.100 0.410 0.000 0.729 333 G HN 0.580 nan 8.290 nan 0.000 0.517 334 F N 1.765 121.937 119.950 0.370 0.000 2.572 334 F HA 0.474 5.005 4.527 0.006 0.000 0.370 334 F C 0.459 176.406 175.800 0.244 0.000 1.103 334 F CA 0.797 58.899 58.000 0.171 0.000 1.286 334 F CB 0.734 39.679 39.000 -0.093 0.000 1.105 334 F HN 0.071 nan 8.300 nan 0.000 0.583 335 S N 3.369 118.769 115.700 -0.499 0.000 2.575 335 S HA 0.837 5.311 4.470 0.006 0.000 0.278 335 S C -0.276 173.995 174.600 -0.548 0.000 1.139 335 S CA -0.226 57.826 58.200 -0.246 0.000 0.954 335 S CB 1.546 64.743 63.200 -0.005 0.000 1.054 335 S HN 1.228 nan 8.310 nan 0.000 0.483 336 G N 1.487 110.186 108.800 -0.168 0.000 2.321 336 G HA2 0.421 4.385 3.960 0.006 0.000 0.296 336 G HA3 0.421 4.385 3.960 0.006 0.000 0.296 336 G C -2.336 172.706 174.900 0.238 0.000 1.287 336 G CA -0.694 44.430 45.100 0.040 0.000 0.846 336 G HN 0.493 nan 8.290 nan 0.000 0.508 337 I N 1.311 122.047 120.570 0.276 0.000 2.355 337 I HA 0.434 4.608 4.170 0.006 0.000 0.288 337 I C 0.093 176.378 176.117 0.278 0.000 0.999 337 I CA -0.744 60.690 61.300 0.224 0.000 1.163 337 I CB 0.847 38.929 38.000 0.137 0.000 1.316 337 I HN 0.319 nan 8.210 nan 0.000 0.454 338 L N 5.777 127.118 121.223 0.197 0.000 2.292 338 L HA 0.389 4.733 4.340 0.006 0.000 0.284 338 L C 0.320 177.249 176.870 0.098 0.000 1.065 338 L CA -0.178 54.742 54.840 0.133 0.000 0.806 338 L CB 1.206 43.276 42.059 0.018 0.000 1.175 338 L HN 0.525 nan 8.230 nan 0.000 0.431 339 T N 4.881 119.490 114.554 0.093 0.000 2.874 339 T HA 0.423 4.776 4.350 0.006 0.000 0.321 339 T C 0.104 174.834 174.700 0.049 0.000 1.075 339 T CA -0.461 61.679 62.100 0.067 0.000 0.966 339 T CB 0.296 69.201 68.868 0.063 0.000 1.001 339 T HN 0.278 nan 8.240 nan 0.000 0.476 340 L N 3.742 124.993 121.223 0.048 0.000 2.416 340 L HA 0.556 4.900 4.340 0.006 0.000 0.272 340 L C 0.775 177.673 176.870 0.046 0.000 1.161 340 L CA -0.086 54.783 54.840 0.047 0.000 0.845 340 L CB 0.462 42.558 42.059 0.062 0.000 1.119 340 L HN 0.767 nan 8.230 nan 0.000 0.464 341 S N -0.178 115.546 115.700 0.041 0.000 2.694 341 S HA 0.616 5.090 4.470 0.006 0.000 0.273 341 S C 0.398 175.020 174.600 0.036 0.000 1.180 341 S CA -0.222 58.002 58.200 0.040 0.000 0.864 341 S CB 1.193 64.413 63.200 0.033 0.000 1.198 341 S HN 1.012 nan 8.310 nan 0.000 0.499 342 G N 0.048 108.869 108.800 0.035 0.000 2.228 342 G HA2 -0.076 3.887 3.960 0.006 0.000 0.270 342 G HA3 -0.076 3.887 3.960 0.006 0.000 0.270 342 G C 0.893 175.814 174.900 0.035 0.000 0.976 342 G CA 0.666 45.784 45.100 0.029 0.000 0.636 342 G HN 1.819 nan 8.290 nan 0.000 0.542 343 G N -0.684 108.145 108.800 0.048 0.000 2.474 343 G HA2 0.474 4.437 3.960 0.006 0.000 0.233 343 G HA3 0.474 4.437 3.960 0.006 0.000 0.233 343 G C 0.248 175.185 174.900 0.061 0.000 1.278 343 G CA 0.594 45.733 45.100 0.065 0.000 0.861 343 G HN 1.283 nan 8.290 nan 0.000 0.567 344 L N 2.043 123.303 121.223 0.062 0.000 2.332 344 L HA 0.124 4.468 4.340 0.006 0.000 0.260 344 L C 0.326 177.221 176.870 0.041 0.000 1.344 344 L CA -0.384 54.485 54.840 0.049 0.000 0.741 344 L CB -0.004 42.073 42.059 0.031 0.000 0.930 344 L HN 0.697 nan 8.230 nan 0.000 0.556 345 S N 1.539 117.275 115.700 0.060 0.000 2.481 345 S HA 0.263 4.737 4.470 0.006 0.000 0.282 345 S C 0.480 175.095 174.600 0.025 0.000 1.243 345 S CA 0.514 58.736 58.200 0.037 0.000 1.078 345 S CB 0.371 63.604 63.200 0.055 0.000 0.916 345 S HN 0.681 nan 8.310 nan 0.000 0.495 346 S N 4.987 120.690 115.700 0.005 0.000 2.498 346 S HA 0.373 4.847 4.470 0.006 0.000 0.324 346 S C 0.750 175.336 174.600 -0.023 0.000 1.071 346 S CA -0.979 57.221 58.200 -0.001 0.000 1.113 346 S CB 0.875 64.077 63.200 0.003 0.000 0.976 346 S HN 0.796 nan 8.310 nan 0.000 0.462 347 N N 3.038 121.717 118.700 -0.035 0.000 2.331 347 N HA -0.084 4.660 4.740 0.006 0.000 0.180 347 N C 2.101 177.590 175.510 -0.035 0.000 1.019 347 N CA 0.970 53.979 53.050 -0.067 0.000 0.881 347 N CB -0.578 37.857 38.487 -0.087 0.000 0.972 347 N HN 0.807 nan 8.380 nan 0.000 0.435 348 A N 1.988 124.800 122.820 -0.014 0.000 1.899 348 A HA -0.261 4.063 4.320 0.006 0.000 0.230 348 A C 0.916 178.500 177.584 -0.000 0.000 1.593 348 A CA 2.307 54.343 52.037 -0.001 0.000 0.728 348 A CB -0.569 18.434 19.000 0.004 0.000 0.848 348 A HN 0.515 nan 8.150 nan 0.000 0.490 349 E N -1.139 119.060 120.200 -0.002 0.000 3.896 349 E HA 0.503 4.857 4.350 0.006 0.000 0.217 349 E C -0.927 175.673 176.600 0.001 0.000 1.150 349 E CA -0.445 55.957 56.400 0.003 0.000 1.338 349 E CB 0.176 29.881 29.700 0.008 0.000 1.242 349 E HN 0.078 nan 8.360 nan 0.000 0.435 350 V N 1.677 121.583 119.914 -0.013 0.000 2.403 350 V HA 0.056 4.179 4.120 0.006 0.000 0.265 350 V C 0.771 176.869 176.094 0.007 0.000 1.034 350 V CA 0.176 62.465 62.300 -0.018 0.000 1.036 350 V CB 0.703 32.481 31.823 -0.075 0.000 1.032 350 V HN 0.573 nan 8.190 nan 0.000 0.478 351 T N 5.041 119.611 114.554 0.027 0.000 2.903 351 T HA 0.275 4.628 4.350 0.006 0.000 0.314 351 T C 1.482 176.219 174.700 0.061 0.000 1.078 351 T CA 0.236 62.361 62.100 0.042 0.000 1.114 351 T CB 1.115 70.009 68.868 0.043 0.000 0.987 351 T HN 0.859 nan 8.240 nan 0.000 0.548 352 A N 4.282 127.147 122.820 0.075 0.000 1.884 352 A HA -0.053 4.271 4.320 0.006 0.000 0.219 352 A C 2.520 180.181 177.584 0.129 0.000 1.197 352 A CA 2.574 54.677 52.037 0.109 0.000 0.637 352 A CB -1.680 17.386 19.000 0.110 0.000 0.827 352 A HN 1.105 nan 8.150 nan 0.000 0.450 353 G N -0.222 108.640 108.800 0.104 0.000 2.469 353 G HA2 -0.290 3.674 3.960 0.006 0.000 0.219 353 G HA3 -0.290 3.674 3.960 0.006 0.000 0.219 353 G C 0.994 175.979 174.900 0.142 0.000 1.150 353 G CA 1.399 46.564 45.100 0.108 0.000 0.763 353 G HN 0.567 nan 8.290 nan 0.000 0.561 354 D N 0.163 120.636 120.400 0.123 0.000 2.228 354 D HA -0.082 4.562 4.640 0.006 0.000 0.203 354 D C 2.360 178.752 176.300 0.153 0.000 0.988 354 D CA 0.415 54.510 54.000 0.158 0.000 0.864 354 D CB -0.091 40.775 40.800 0.110 0.000 0.928 354 D HN 0.338 nan 8.370 nan 0.000 0.469 355 L N -0.527 120.769 121.223 0.122 0.000 2.095 355 L HA -0.028 4.316 4.340 0.006 0.000 0.204 355 L C 2.232 179.275 176.870 0.288 0.000 1.080 355 L CA 0.720 55.624 54.840 0.107 0.000 0.759 355 L CB -0.178 41.983 42.059 0.171 0.000 0.914 355 L HN 0.061 nan 8.230 nan 0.000 0.439 356 M N -0.843 118.988 119.600 0.385 0.000 2.159 356 M HA -0.210 4.273 4.480 0.006 0.000 0.263 356 M C 2.038 178.632 176.300 0.489 0.000 1.063 356 M CA 1.577 57.205 55.300 0.545 0.000 1.110 356 M CB -0.366 32.476 32.600 0.402 0.000 1.374 356 M HN 0.160 nan 8.290 nan 0.000 0.411 357 E N 0.455 120.868 120.200 0.355 0.000 2.097 357 E HA -0.223 4.130 4.350 0.006 0.000 0.196 357 E C 2.082 178.995 176.600 0.521 0.000 1.000 357 E CA 1.428 58.049 56.400 0.367 0.000 0.804 357 E CB -0.110 29.761 29.700 0.285 0.000 0.740 357 E HN 0.543 nan 8.360 nan 0.000 0.454 358 A N 0.622 123.696 122.820 0.422 0.000 1.832 358 A HA -0.174 4.150 4.320 0.006 0.000 0.214 358 A C 1.821 179.536 177.584 0.220 0.000 1.200 358 A CA 1.185 53.302 52.037 0.133 0.000 0.610 358 A CB -1.295 17.507 19.000 -0.329 0.000 0.842 358 A HN 0.401 nan 8.150 nan 0.000 0.444 359 W N 0.483 121.954 121.300 0.284 0.000 2.308 359 W HA -0.239 4.424 4.660 0.006 0.000 0.301 359 W C 1.596 178.389 176.519 0.456 0.000 1.220 359 W CA 1.125 58.711 57.345 0.401 0.000 1.240 359 W CB -0.262 29.371 29.460 0.289 0.000 1.142 359 W HN 0.373 nan 8.180 nan 0.000 0.521 360 D N -0.685 120.090 120.400 0.626 0.000 2.271 360 D HA -0.188 4.455 4.640 0.006 0.000 0.207 360 D C 1.523 178.018 176.300 0.326 0.000 0.983 360 D CA 1.154 55.422 54.000 0.446 0.000 0.878 360 D CB -0.811 40.203 40.800 0.355 0.000 0.920 360 D HN 0.181 nan 8.370 nan 0.000 0.479 361 F N -0.954 118.999 119.950 0.006 0.000 2.583 361 F HA -0.095 4.436 4.527 0.006 0.000 0.297 361 F C 1.156 176.747 175.800 -0.348 0.000 1.131 361 F CA 0.358 58.207 58.000 -0.251 0.000 1.467 361 F CB -0.084 38.638 39.000 -0.465 0.000 1.097 361 F HN -0.033 nan 8.300 nan 0.000 0.586 362 F N -1.397 118.756 119.950 0.338 0.000 2.682 362 F HA 0.318 4.848 4.527 0.005 0.000 0.308 362 F C 1.654 177.613 175.800 0.265 0.000 1.093 362 F CA -0.132 58.043 58.000 0.292 0.000 1.244 362 F CB -0.393 38.818 39.000 0.351 0.000 1.052 362 F HN -0.192 nan 8.300 nan 0.000 0.573 363 A N 0.778 123.796 122.820 0.331 0.000 2.416 363 A HA 0.283 4.607 4.320 0.006 0.000 0.252 363 A C -0.662 176.993 177.584 0.118 0.000 1.353 363 A CA 0.079 52.242 52.037 0.209 0.000 0.996 363 A CB -1.411 17.686 19.000 0.161 0.000 0.961 363 A HN 0.256 nan 8.150 nan 0.000 0.523 364 D N -2.475 118.001 120.400 0.127 0.000 2.591 364 D HA 0.246 4.890 4.640 0.006 0.000 0.222 364 D C 0.226 176.577 176.300 0.085 0.000 1.360 364 D CA -0.699 53.346 54.000 0.074 0.000 0.967 364 D CB 0.241 41.064 40.800 0.037 0.000 1.456 364 D HN 0.024 nan 8.370 nan 0.000 0.588 365 R N 1.012 121.556 120.500 0.073 0.000 2.200 365 R HA -0.111 4.233 4.340 0.006 0.000 0.234 365 R C 1.265 177.601 176.300 0.060 0.000 1.127 365 R CA 1.294 57.439 56.100 0.075 0.000 0.989 365 R CB -0.086 30.247 30.300 0.055 0.000 0.869 365 R HN 0.559 nan 8.270 nan 0.000 0.459 366 E N 0.063 120.289 120.200 0.043 0.000 2.049 366 E HA -0.193 4.161 4.350 0.006 0.000 0.198 366 E C 1.779 178.403 176.600 0.039 0.000 1.007 366 E CA 1.918 58.337 56.400 0.032 0.000 0.809 366 E CB 0.019 29.730 29.700 0.018 0.000 0.749 366 E HN 0.328 nan 8.360 nan 0.000 0.450 367 S N -0.121 115.605 115.700 0.045 0.000 2.427 367 S HA 0.028 4.502 4.470 0.006 0.000 0.224 367 S C 0.691 175.333 174.600 0.070 0.000 1.047 367 S CA 0.336 58.562 58.200 0.045 0.000 0.953 367 S CB 0.523 63.739 63.200 0.027 0.000 0.824 367 S HN 0.137 nan 8.310 nan 0.000 0.502 368 V N 1.789 121.769 119.914 0.110 0.000 2.482 368 V HA 0.464 4.587 4.120 0.006 0.000 0.295 368 V C -1.603 174.589 176.094 0.163 0.000 1.026 368 V CA -1.353 61.037 62.300 0.149 0.000 0.856 368 V CB 1.677 33.632 31.823 0.221 0.000 1.001 368 V HN 0.259 nan 8.190 nan 0.000 0.424 369 D N 4.640 125.117 120.400 0.128 0.000 2.435 369 D HA 0.284 4.928 4.640 0.006 0.000 0.230 369 D C 0.242 176.613 176.300 0.119 0.000 1.215 369 D CA -0.115 53.955 54.000 0.116 0.000 0.947 369 D CB 1.469 42.321 40.800 0.087 0.000 1.048 369 D HN 0.746 nan 8.370 nan 0.000 0.512 370 V N -0.376 119.623 119.914 0.141 0.000 2.407 370 V HA 0.279 4.402 4.120 0.006 0.000 0.291 370 V C 0.548 176.718 176.094 0.127 0.000 1.018 370 V CA -0.789 61.562 62.300 0.085 0.000 0.842 370 V CB 1.679 33.490 31.823 -0.019 0.000 0.996 370 V HN 0.051 nan 8.190 nan 0.000 0.426 371 Q N 3.996 123.855 119.800 0.098 0.000 2.123 371 Q HA 0.406 4.750 4.340 0.006 0.000 0.196 371 Q C 0.027 176.130 176.000 0.171 0.000 0.958 371 Q CA 1.432 57.313 55.803 0.130 0.000 0.841 371 Q CB 0.044 28.843 28.738 0.101 0.000 0.915 371 Q HN 0.843 nan 8.270 nan 0.000 0.455 372 L N -0.026 121.270 121.223 0.122 0.000 2.381 372 L HA 0.418 4.761 4.340 0.006 0.000 0.274 372 L C -1.062 175.845 176.870 0.061 0.000 0.988 372 L CA -0.532 54.396 54.840 0.146 0.000 0.824 372 L CB 1.620 43.745 42.059 0.110 0.000 1.263 372 L HN -0.005 nan 8.230 nan 0.000 0.410 373 F N 4.068 123.963 119.950 -0.092 0.000 2.351 373 F HA 0.366 4.896 4.527 0.005 0.000 0.362 373 F C 0.627 176.343 175.800 -0.140 0.000 1.131 373 F CA -0.450 57.454 58.000 -0.160 0.000 1.187 373 F CB 0.514 39.381 39.000 -0.221 0.000 1.434 373 F HN 0.301 nan 8.300 nan 0.000 0.553 374 I N 3.734 124.284 120.570 -0.033 0.000 2.769 374 I HA -0.079 4.095 4.170 0.006 0.000 0.285 374 I C 0.943 177.113 176.117 0.088 0.000 1.173 374 I CA 0.597 61.912 61.300 0.025 0.000 1.389 374 I CB 0.507 38.496 38.000 -0.020 0.000 1.404 374 I HN 0.737 nan 8.210 nan 0.000 0.544 375 A N 5.148 127.980 122.820 0.021 0.000 2.009 375 A HA 0.245 4.568 4.320 0.006 0.000 0.197 375 A C 2.110 179.711 177.584 0.027 0.000 1.471 375 A CA 0.547 52.564 52.037 -0.033 0.000 0.973 375 A CB -0.391 18.519 19.000 -0.149 0.000 1.020 375 A HN 0.702 nan 8.150 nan 0.000 0.476 376 G N 1.225 110.024 108.800 -0.002 0.000 2.527 376 G HA2 -0.169 3.795 3.960 0.006 0.000 0.219 376 G HA3 -0.169 3.795 3.960 0.006 0.000 0.219 376 G C 1.557 176.464 174.900 0.012 0.000 1.117 376 G CA 1.605 46.695 45.100 -0.018 0.000 0.759 376 G HN 0.896 nan 8.290 nan 0.000 0.556 377 S N -0.594 115.117 115.700 0.018 0.000 2.488 377 S HA -0.159 4.315 4.470 0.006 0.000 0.246 377 S C 1.757 176.204 174.600 -0.254 0.000 0.992 377 S CA 1.141 59.270 58.200 -0.119 0.000 0.963 377 S CB -0.731 62.444 63.200 -0.040 0.000 0.754 377 S HN 0.382 nan 8.310 nan 0.000 0.519 378 C N 1.277 120.568 119.300 -0.015 0.000 2.791 378 C HA 0.659 5.123 4.460 0.006 0.000 0.270 378 C C 2.805 177.812 174.990 0.029 0.000 1.257 378 C CA -0.636 58.409 59.018 0.045 0.000 1.699 378 C CB -1.632 26.214 27.740 0.177 0.000 1.904 378 C HN 0.719 nan 8.230 nan 0.000 0.603 379 A N 1.973 124.819 122.820 0.042 0.000 1.915 379 A HA -0.137 4.187 4.320 0.006 0.000 0.220 379 A C 2.353 179.931 177.584 -0.009 0.000 1.198 379 A CA 2.490 54.607 52.037 0.133 0.000 0.647 379 A CB -1.175 18.119 19.000 0.489 0.000 0.825 379 A HN 0.567 nan 8.150 nan 0.000 0.456 380 G N -1.073 107.689 108.800 -0.063 0.000 2.448 380 G HA2 0.091 4.055 3.960 0.006 0.000 0.218 380 G HA3 0.091 4.055 3.960 0.006 0.000 0.218 380 G C 0.797 175.676 174.900 -0.035 0.000 1.135 380 G CA 0.759 45.804 45.100 -0.093 0.000 0.784 380 G HN 0.543 nan 8.290 nan 0.000 0.543 381 E N 0.892 121.101 120.200 0.015 0.000 2.435 381 E HA 0.268 4.622 4.350 0.006 0.000 0.256 381 E C 0.570 177.192 176.600 0.035 0.000 1.245 381 E CA -0.137 56.295 56.400 0.053 0.000 0.989 381 E CB 0.328 30.093 29.700 0.108 0.000 0.983 381 E HN 0.142 nan 8.360 nan 0.000 0.480 382 S N 2.426 118.154 115.700 0.045 0.000 2.784 382 S HA -0.136 4.338 4.470 0.006 0.000 0.322 382 S C 1.492 176.120 174.600 0.048 0.000 1.234 382 S CA -0.111 58.113 58.200 0.039 0.000 1.064 382 S CB 0.035 63.264 63.200 0.048 0.000 0.787 382 S HN 0.557 nan 8.310 nan 0.000 0.506 383 L N 3.183 124.424 121.223 0.031 0.000 2.040 383 L HA -0.335 4.009 4.340 0.006 0.000 0.228 383 L C 2.338 179.268 176.870 0.099 0.000 1.092 383 L CA 2.178 57.043 54.840 0.042 0.000 0.805 383 L CB -0.670 41.414 42.059 0.041 0.000 0.905 383 L HN 0.806 nan 8.230 nan 0.000 0.443 384 E N -0.945 119.317 120.200 0.102 0.000 2.037 384 E HA -0.349 4.005 4.350 0.006 0.000 0.214 384 E C 1.901 178.587 176.600 0.144 0.000 1.041 384 E CA 2.357 58.833 56.400 0.127 0.000 0.872 384 E CB -0.579 29.177 29.700 0.094 0.000 0.785 384 E HN 0.558 nan 8.360 nan 0.000 0.476 385 T N 0.058 114.684 114.554 0.120 0.000 2.778 385 T HA -0.212 4.141 4.350 0.006 0.000 0.269 385 T C 1.869 176.662 174.700 0.155 0.000 1.050 385 T CA 1.629 63.810 62.100 0.136 0.000 1.137 385 T CB -0.304 68.637 68.868 0.122 0.000 0.860 385 T HN 0.317 nan 8.240 nan 0.000 0.468 386 A N 0.571 123.469 122.820 0.130 0.000 1.927 386 A HA -0.117 4.207 4.320 0.006 0.000 0.220 386 A C 2.696 180.390 177.584 0.183 0.000 1.185 386 A CA 2.668 54.775 52.037 0.116 0.000 0.639 386 A CB -1.002 18.024 19.000 0.044 0.000 0.820 386 A HN 0.631 nan 8.150 nan 0.000 0.451 387 S N -1.332 114.530 115.700 0.269 0.000 2.341 387 S HA -0.095 4.379 4.470 0.006 0.000 0.216 387 S C 2.250 177.024 174.600 0.290 0.000 1.034 387 S CA 1.544 59.989 58.200 0.408 0.000 0.964 387 S CB -0.798 62.726 63.200 0.539 0.000 0.882 387 S HN 0.826 nan 8.310 nan 0.000 0.469 388 T N 2.066 116.759 114.554 0.232 0.000 2.881 388 T HA -0.056 4.298 4.350 0.006 0.000 0.270 388 T C 1.701 176.526 174.700 0.208 0.000 1.068 388 T CA 1.250 63.466 62.100 0.194 0.000 1.131 388 T CB -0.545 68.412 68.868 0.149 0.000 0.871 388 T HN 0.105 nan 8.240 nan 0.000 0.479 389 V N 1.437 121.480 119.914 0.215 0.000 2.221 389 V HA -0.160 3.963 4.120 0.006 0.000 0.242 389 V C 2.897 179.093 176.094 0.170 0.000 1.041 389 V CA 2.136 64.584 62.300 0.247 0.000 0.995 389 V CB -0.958 31.030 31.823 0.275 0.000 0.635 389 V HN 0.517 nan 8.190 nan 0.000 0.448 390 Q N -0.060 119.812 119.800 0.120 0.000 2.047 390 Q HA -0.348 3.995 4.340 0.006 0.000 0.211 390 Q C 2.387 178.459 176.000 0.120 0.000 1.005 390 Q CA 2.357 58.183 55.803 0.040 0.000 0.866 390 Q CB -0.387 28.359 28.738 0.014 0.000 0.938 390 Q HN 0.516 nan 8.270 nan 0.000 0.414 391 K N -0.134 120.417 120.400 0.252 0.000 2.077 391 K HA -0.290 4.034 4.320 0.006 0.000 0.213 391 K C 2.135 178.822 176.600 0.144 0.000 1.051 391 K CA 1.957 58.395 56.287 0.253 0.000 0.929 391 K CB -0.302 32.328 32.500 0.216 0.000 0.715 391 K HN 0.431 nan 8.250 nan 0.000 0.451 392 H N -0.469 118.631 119.070 0.050 0.000 2.389 392 H HA -0.068 4.492 4.556 0.007 0.000 0.299 392 H C 1.838 177.143 175.328 -0.039 0.000 1.081 392 H CA 1.295 57.355 56.048 0.020 0.000 1.345 392 H CB 0.252 30.053 29.762 0.065 0.000 1.393 392 H HN 0.033 nan 8.280 nan 0.000 0.520 393 V N 0.995 120.719 119.914 -0.318 0.000 2.392 393 V HA -0.231 3.893 4.120 0.006 0.000 0.249 393 V C 2.839 178.694 176.094 -0.399 0.000 1.059 393 V CA 1.344 63.339 62.300 -0.508 0.000 1.051 393 V CB -0.521 30.912 31.823 -0.649 0.000 0.658 393 V HN 0.284 nan 8.190 nan 0.000 0.455 394 V N -0.692 119.088 119.914 -0.224 0.000 2.407 394 V HA -0.209 3.915 4.120 0.006 0.000 0.248 394 V C 2.237 178.207 176.094 -0.207 0.000 1.055 394 V CA 2.211 64.400 62.300 -0.184 0.000 1.049 394 V CB -0.474 31.312 31.823 -0.061 0.000 0.662 394 V HN 0.548 nan 8.190 nan 0.000 0.455 395 S N -1.456 114.152 115.700 -0.154 0.000 2.803 395 S HA 0.252 4.725 4.470 0.006 0.000 0.228 395 S C 1.269 175.787 174.600 -0.137 0.000 0.953 395 S CA 0.236 58.374 58.200 -0.102 0.000 0.983 395 S CB -0.300 62.913 63.200 0.023 0.000 0.784 395 S HN 0.511 nan 8.310 nan 0.000 0.498 396 I N -0.983 119.433 120.570 -0.256 0.000 3.812 396 I HA 0.211 4.385 4.170 0.006 0.000 0.292 396 I C 2.395 178.310 176.117 -0.337 0.000 1.206 396 I CA 0.414 61.572 61.300 -0.237 0.000 1.370 396 I CB -0.311 37.557 38.000 -0.220 0.000 1.328 396 I HN 0.352 nan 8.210 nan 0.000 0.453 397 G N 0.471 108.954 108.800 -0.529 0.000 2.403 397 G HA2 -0.208 3.756 3.960 0.006 0.000 0.216 397 G HA3 -0.208 3.756 3.960 0.006 0.000 0.216 397 G C 1.140 175.719 174.900 -0.536 0.000 1.154 397 G CA 0.750 45.504 45.100 -0.577 0.000 0.784 397 G HN 0.185 nan 8.290 nan 0.000 0.538 398 D N 0.427 120.582 120.400 -0.409 0.000 2.088 398 D HA -0.114 4.529 4.640 0.006 0.000 0.191 398 D C 2.703 178.805 176.300 -0.329 0.000 0.992 398 D CA 0.967 54.746 54.000 -0.369 0.000 0.831 398 D CB -0.470 40.209 40.800 -0.201 0.000 0.973 398 D HN 0.125 nan 8.370 nan 0.000 0.447 399 V N 1.101 120.882 119.914 -0.220 0.000 3.078 399 V HA -0.141 3.983 4.120 0.006 0.000 0.265 399 V C 2.221 178.224 176.094 -0.152 0.000 1.122 399 V CA 1.562 63.774 62.300 -0.148 0.000 1.141 399 V CB -0.558 31.214 31.823 -0.085 0.000 0.735 399 V HN 0.271 nan 8.190 nan 0.000 0.498 400 R N 0.027 120.401 120.500 -0.209 0.000 2.119 400 R HA 0.108 4.452 4.340 0.006 0.000 0.202 400 R C 1.082 177.256 176.300 -0.210 0.000 1.114 400 R CA 0.504 56.512 56.100 -0.153 0.000 1.089 400 R CB -0.112 30.134 30.300 -0.090 0.000 1.000 400 R HN 0.342 nan 8.270 nan 0.000 0.487 401 Q N 0.784 120.338 119.800 -0.410 0.000 2.493 401 Q HA -0.162 4.182 4.340 0.006 0.000 0.260 401 Q C -1.179 174.762 176.000 -0.099 0.000 0.873 401 Q CA 1.080 56.538 55.803 -0.574 0.000 1.150 401 Q CB -1.333 27.169 28.738 -0.394 0.000 1.393 401 Q HN 0.547 nan 8.270 nan 0.000 0.607 402 D N 0.722 121.094 120.400 -0.048 0.000 2.456 402 D HA 0.454 5.098 4.640 0.006 0.000 0.287 402 D C -0.730 175.639 176.300 0.114 0.000 1.186 402 D CA 0.327 54.374 54.000 0.078 0.000 0.916 402 D CB 0.118 40.959 40.800 0.069 0.000 1.029 402 D HN 0.352 nan 8.370 nan 0.000 0.498 403 C N 0.720 120.120 119.300 0.167 0.000 2.399 403 C HA 0.199 4.662 4.460 0.006 0.000 0.302 403 C C -1.270 173.827 174.990 0.178 0.000 1.122 403 C CA -1.540 57.586 59.018 0.179 0.000 1.038 403 C CB -0.719 27.082 27.740 0.101 0.000 1.266 403 C HN 0.511 nan 8.230 nan 0.000 0.563 404 L N 2.000 123.324 121.223 0.168 0.000 2.307 404 L HA 0.792 5.136 4.340 0.006 0.000 0.282 404 L C -0.494 176.422 176.870 0.076 0.000 1.051 404 L CA -0.472 54.438 54.840 0.117 0.000 0.804 404 L CB 1.598 43.712 42.059 0.091 0.000 1.197 404 L HN 0.776 nan 8.230 nan 0.000 0.431 405 V N 6.060 125.968 119.914 -0.010 0.000 2.284 405 V HA 0.200 4.324 4.120 0.006 0.000 0.274 405 V C -0.275 175.823 176.094 0.007 0.000 1.023 405 V CA -0.599 61.660 62.300 -0.069 0.000 0.808 405 V CB 1.315 32.988 31.823 -0.250 0.000 1.035 405 V HN 0.540 nan 8.190 nan 0.000 0.445 406 L N 3.879 125.124 121.223 0.037 0.000 2.257 406 L HA 0.808 5.152 4.340 0.006 0.000 0.290 406 L C -0.357 176.513 176.870 0.001 0.000 1.044 406 L CA -0.106 54.748 54.840 0.024 0.000 0.810 406 L CB 0.769 42.843 42.059 0.025 0.000 1.193 406 L HN 0.404 nan 8.230 nan 0.000 0.425 407 C N 1.506 120.803 119.300 -0.006 0.000 2.498 407 C HA 0.787 5.251 4.460 0.006 0.000 0.316 407 C C 0.554 175.477 174.990 -0.111 0.000 1.209 407 C CA -0.506 58.474 59.018 -0.064 0.000 1.518 407 C CB 1.489 29.155 27.740 -0.124 0.000 2.147 407 C HN 0.940 nan 8.230 nan 0.000 0.483 408 S N 2.713 118.323 115.700 -0.151 0.000 2.638 408 S HA 0.720 5.193 4.470 0.006 0.000 0.298 408 S C -2.452 171.963 174.600 -0.309 0.000 1.111 408 S CA -0.946 57.108 58.200 -0.244 0.000 1.027 408 S CB 1.223 64.263 63.200 -0.267 0.000 1.064 408 S HN 0.708 nan 8.310 nan 0.000 0.525 409 P HA 0.307 nan 4.420 nan 0.000 0.272 409 P C -2.909 174.237 177.300 -0.257 0.000 1.240 409 P CA -1.607 61.210 63.100 -0.472 0.000 0.791 409 P CB -0.622 30.848 31.700 -0.385 0.000 0.978 410 P HA 0.280 nan 4.420 nan 0.000 0.281 410 P C 1.146 178.463 177.300 0.028 0.000 1.252 410 P CA -0.190 62.835 63.100 -0.124 0.000 0.778 410 P CB 0.459 31.914 31.700 -0.408 0.000 0.895 411 R N 2.149 122.432 120.500 -0.360 0.000 2.133 411 R HA -0.251 4.093 4.340 0.006 0.000 0.245 411 R C 1.746 177.846 176.300 -0.334 0.000 1.137 411 R CA 1.951 57.616 56.100 -0.725 0.000 0.947 411 R CB -0.441 29.421 30.300 -0.730 0.000 0.865 411 R HN 0.619 nan 8.270 nan 0.000 0.437 412 E N -0.837 119.228 120.200 -0.226 0.000 2.149 412 E HA -0.299 4.055 4.350 0.006 0.000 0.215 412 E C 1.891 178.423 176.600 -0.113 0.000 1.055 412 E CA 2.092 58.409 56.400 -0.138 0.000 0.870 412 E CB -0.271 29.386 29.700 -0.073 0.000 0.764 412 E HN 0.285 nan 8.360 nan 0.000 0.463 413 T N -0.944 113.533 114.554 -0.128 0.000 3.055 413 T HA 0.016 4.370 4.350 0.006 0.000 0.265 413 T C 1.439 176.075 174.700 -0.106 0.000 1.111 413 T CA 0.631 62.660 62.100 -0.119 0.000 1.118 413 T CB 0.332 69.033 68.868 -0.278 0.000 0.909 413 T HN -0.037 nan 8.240 nan 0.000 0.501 414 V N -0.691 119.157 119.914 -0.110 0.000 3.305 414 V HA 0.215 4.339 4.120 0.006 0.000 0.247 414 V C 2.052 178.033 176.094 -0.188 0.000 1.426 414 V CA 0.259 62.500 62.300 -0.097 0.000 1.162 414 V CB 1.015 32.829 31.823 -0.015 0.000 0.961 414 V HN 0.241 nan 8.190 nan 0.000 0.449 415 V N 0.564 120.282 119.914 -0.327 0.000 2.379 415 V HA 0.060 4.184 4.120 0.006 0.000 0.243 415 V C 2.521 178.386 176.094 -0.381 0.000 1.035 415 V CA 2.204 64.150 62.300 -0.590 0.000 1.035 415 V CB -0.789 30.404 31.823 -1.049 0.000 0.673 415 V HN 0.536 nan 8.190 nan 0.000 0.457 416 G N 1.561 110.206 108.800 -0.258 0.000 2.434 416 G HA2 -0.092 3.872 3.960 0.006 0.000 0.214 416 G HA3 -0.092 3.872 3.960 0.006 0.000 0.214 416 G C 0.728 175.574 174.900 -0.091 0.000 1.202 416 G CA 1.066 46.080 45.100 -0.144 0.000 0.788 416 G HN 0.530 nan 8.290 nan 0.000 0.539 417 I N 0.729 121.252 120.570 -0.079 0.000 3.138 417 I HA 0.369 4.543 4.170 0.006 0.000 0.288 417 I C -1.930 174.162 176.117 -0.042 0.000 1.148 417 I CA -3.382 57.891 61.300 -0.046 0.000 1.315 417 I CB -0.535 37.447 38.000 -0.030 0.000 1.426 417 I HN 0.004 nan 8.210 nan 0.000 0.615 418 P HA 0.166 nan 4.420 nan 0.000 0.276 418 P C 0.806 178.097 177.300 -0.015 0.000 1.261 418 P CA -0.469 62.621 63.100 -0.016 0.000 0.800 418 P CB 0.974 32.669 31.700 -0.007 0.000 1.066 419 V N 0.273 120.181 119.914 -0.010 0.000 2.490 419 V HA -0.220 3.904 4.120 0.006 0.000 0.250 419 V C 2.483 178.575 176.094 -0.003 0.000 1.061 419 V CA 2.449 64.745 62.300 -0.008 0.000 1.064 419 V CB -1.916 29.906 31.823 -0.002 0.000 0.670 419 V HN 0.623 nan 8.190 nan 0.000 0.461 420 T N 0.390 114.944 114.554 0.000 0.000 2.544 420 T HA -0.298 4.056 4.350 0.006 0.000 0.264 420 T C 2.063 176.768 174.700 0.008 0.000 1.096 420 T CA 2.310 64.413 62.100 0.005 0.000 1.181 420 T CB -0.329 68.542 68.868 0.006 0.000 0.864 420 T HN 0.458 nan 8.240 nan 0.000 0.415 421 R N 0.940 121.444 120.500 0.008 0.000 2.091 421 R HA -0.039 4.304 4.340 0.006 0.000 0.238 421 R C 2.844 179.151 176.300 0.011 0.000 1.136 421 R CA 1.205 57.315 56.100 0.016 0.000 0.959 421 R CB -0.716 29.593 30.300 0.015 0.000 0.856 421 R HN 0.416 nan 8.270 nan 0.000 0.437 422 A N 0.993 123.810 122.820 -0.005 0.000 1.870 422 A HA -0.231 4.093 4.320 0.006 0.000 0.219 422 A C 2.412 179.984 177.584 -0.020 0.000 1.224 422 A CA 2.332 54.357 52.037 -0.020 0.000 0.650 422 A CB -0.984 17.999 19.000 -0.028 0.000 0.836 422 A HN 0.154 nan 8.150 nan 0.000 0.454 423 V N 0.410 120.318 119.914 -0.009 0.000 2.343 423 V HA -0.259 3.865 4.120 0.006 0.000 0.247 423 V C 2.227 178.323 176.094 0.003 0.000 1.051 423 V CA 2.208 64.506 62.300 -0.004 0.000 1.036 423 V CB -1.055 30.769 31.823 0.003 0.000 0.654 423 V HN 0.516 nan 8.190 nan 0.000 0.451 424 D N 0.614 121.023 120.400 0.015 0.000 2.154 424 D HA -0.205 4.439 4.640 0.006 0.000 0.190 424 D C 2.044 178.362 176.300 0.030 0.000 1.003 424 D CA 1.730 55.749 54.000 0.032 0.000 0.849 424 D CB -0.475 40.352 40.800 0.046 0.000 0.942 424 D HN 0.415 nan 8.370 nan 0.000 0.446 425 N N 0.596 119.303 118.700 0.011 0.000 2.018 425 N HA -0.141 4.603 4.740 0.006 0.000 0.196 425 N C 2.216 177.605 175.510 -0.202 0.000 1.043 425 N CA 0.468 53.464 53.050 -0.089 0.000 0.856 425 N CB -0.830 37.612 38.487 -0.075 0.000 1.042 425 N HN 0.226 nan 8.380 nan 0.000 0.423 426 L N 0.779 121.942 121.223 -0.100 0.000 2.021 426 L HA -0.205 4.138 4.340 0.006 0.000 0.215 426 L C 2.198 179.112 176.870 0.073 0.000 1.074 426 L CA 1.127 55.962 54.840 -0.007 0.000 0.760 426 L CB -0.291 41.772 42.059 0.007 0.000 0.889 426 L HN 0.017 nan 8.230 nan 0.000 0.433 427 V N -0.593 119.343 119.914 0.037 0.000 2.379 427 V HA -0.230 3.894 4.120 0.006 0.000 0.245 427 V C 2.120 178.243 176.094 0.049 0.000 1.044 427 V CA 1.723 64.050 62.300 0.044 0.000 1.036 427 V CB -0.826 31.015 31.823 0.029 0.000 0.664 427 V HN 0.466 nan 8.190 nan 0.000 0.453 428 N N -0.456 118.274 118.700 0.051 0.000 2.061 428 N HA -0.246 4.498 4.740 0.006 0.000 0.193 428 N C 1.391 176.969 175.510 0.114 0.000 1.030 428 N CA 1.893 55.001 53.050 0.096 0.000 0.856 428 N CB -0.570 38.024 38.487 0.178 0.000 1.023 428 N HN 0.700 nan 8.380 nan 0.000 0.424 429 W N 2.221 123.404 121.300 -0.195 0.000 2.363 429 W HA 0.007 4.671 4.660 0.006 0.000 0.296 429 W C 1.778 178.304 176.519 0.012 0.000 1.212 429 W CA 0.952 58.209 57.345 -0.147 0.000 1.260 429 W CB -0.047 29.221 29.460 -0.320 0.000 1.131 429 W HN -0.080 nan 8.180 nan 0.000 0.530 430 R N -0.229 120.284 120.500 0.022 0.000 2.285 430 R HA -0.062 4.282 4.340 0.006 0.000 0.213 430 R C 1.753 177.970 176.300 -0.138 0.000 1.068 430 R CA 1.560 57.602 56.100 -0.097 0.000 1.004 430 R CB -0.686 29.625 30.300 0.017 0.000 0.873 430 R HN 0.327 nan 8.270 nan 0.000 0.467 431 T N -2.316 112.191 114.554 -0.077 0.000 3.409 431 T HA 0.426 4.779 4.350 0.006 0.000 0.188 431 T C 0.987 175.662 174.700 -0.043 0.000 0.929 431 T CA 0.747 62.808 62.100 -0.065 0.000 1.184 431 T CB 0.256 69.111 68.868 -0.022 0.000 1.570 431 T HN 0.131 nan 8.240 nan 0.000 0.367 432 A N 1.000 123.835 122.820 0.025 0.000 1.808 432 A HA 0.857 5.180 4.320 0.006 0.000 0.190 432 A C 1.135 178.808 177.584 0.150 0.000 1.822 432 A CA 0.661 52.734 52.037 0.059 0.000 1.090 432 A CB -0.794 18.230 19.000 0.039 0.000 1.004 432 A HN 0.944 nan 8.150 nan 0.000 0.602 433 A N -0.076 122.829 122.820 0.141 0.000 2.531 433 A HA 0.513 4.837 4.320 0.006 0.000 0.236 433 A C 1.231 178.948 177.584 0.223 0.000 1.062 433 A CA 1.204 53.328 52.037 0.145 0.000 0.760 433 A CB -0.825 18.240 19.000 0.108 0.000 0.995 433 A HN 2.551 nan 8.150 nan 0.000 0.501 434 G N 0.171 109.051 108.800 0.133 0.000 2.443 434 G HA2 0.002 3.966 3.960 0.006 0.000 0.209 434 G HA3 0.002 3.966 3.960 0.006 0.000 0.209 434 G C 1.004 175.890 174.900 -0.024 0.000 1.176 434 G CA 0.625 45.768 45.100 0.071 0.000 1.074 434 G HN 1.922 nan 8.290 nan 0.000 0.577 435 S N -0.495 115.089 115.700 -0.193 0.000 2.603 435 S HA 0.235 4.709 4.470 0.006 0.000 0.220 435 S C 1.588 176.063 174.600 -0.208 0.000 0.967 435 S CA 1.354 59.424 58.200 -0.217 0.000 0.920 435 S CB -0.347 62.685 63.200 -0.280 0.000 0.773 435 S HN 0.539 nan 8.310 nan 0.000 0.529 436 Y N 0.971 121.337 120.300 0.109 0.000 2.523 436 Y HA 0.131 4.685 4.550 0.007 0.000 0.279 436 Y C 2.734 178.727 175.900 0.154 0.000 1.139 436 Y CA 0.606 58.818 58.100 0.186 0.000 1.296 436 Y CB -1.132 37.491 38.460 0.271 0.000 1.045 436 Y HN 0.350 nan 8.280 nan 0.000 0.538 437 T N 0.538 115.214 114.554 0.204 0.000 2.597 437 T HA -0.259 4.094 4.350 0.006 0.000 0.267 437 T C 1.218 175.984 174.700 0.111 0.000 1.053 437 T CA 2.578 64.756 62.100 0.129 0.000 1.165 437 T CB -0.374 68.540 68.868 0.077 0.000 0.863 437 T HN 0.429 nan 8.240 nan 0.000 0.427 438 D N 1.077 121.536 120.400 0.097 0.000 2.312 438 D HA 0.040 4.684 4.640 0.006 0.000 0.211 438 D C 0.575 176.946 176.300 0.119 0.000 0.964 438 D CA 0.545 54.595 54.000 0.083 0.000 0.877 438 D CB -0.087 40.748 40.800 0.058 0.000 0.924 438 D HN 0.386 nan 8.370 nan 0.000 0.515 439 N N 1.644 120.457 118.700 0.187 0.000 2.904 439 N HA 0.074 4.818 4.740 0.006 0.000 0.257 439 N C -0.972 174.756 175.510 0.363 0.000 1.363 439 N CA -0.247 52.962 53.050 0.265 0.000 0.856 439 N CB 0.591 39.254 38.487 0.293 0.000 1.166 439 N HN 0.328 nan 8.380 nan 0.000 0.499 440 N N 0.016 118.818 118.700 0.171 0.000 2.482 440 N HA 0.217 4.961 4.740 0.006 0.000 0.279 440 N C -0.600 174.765 175.510 -0.242 0.000 1.182 440 N CA -0.310 52.715 53.050 -0.041 0.000 0.969 440 N CB 1.314 39.764 38.487 -0.062 0.000 1.201 440 N HN 0.045 nan 8.380 nan 0.000 0.523 441 F N 0.468 119.838 119.950 -0.967 0.000 2.791 441 F HA 0.307 4.837 4.527 0.006 0.000 0.308 441 F C 0.305 175.770 175.800 -0.558 0.000 1.138 441 F CA -1.039 56.404 58.000 -0.929 0.000 1.294 441 F CB -0.628 37.232 39.000 -1.900 0.000 0.975 441 F HN 0.456 nan 8.300 nan 0.000 0.512 442 N N 3.324 121.746 118.700 -0.462 0.000 3.027 442 N HA 0.065 4.808 4.740 0.006 0.000 0.309 442 N C -0.222 175.057 175.510 -0.385 0.000 1.222 442 N CA 0.283 53.108 53.050 -0.375 0.000 1.187 442 N CB -0.671 37.687 38.487 -0.215 0.000 1.458 442 N HN 0.582 nan 8.380 nan 0.000 0.535 443 I N -2.672 117.553 120.570 -0.575 0.000 3.170 443 I HA 0.621 4.794 4.170 0.006 0.000 0.312 443 I C -0.369 175.509 176.117 -0.398 0.000 1.085 443 I CA -1.021 60.006 61.300 -0.455 0.000 0.999 443 I CB 2.023 39.706 38.000 -0.528 0.000 1.233 443 I HN -0.039 nan 8.210 nan 0.000 0.467 444 S N 1.910 117.451 115.700 -0.265 0.000 2.488 444 S HA 0.312 4.786 4.470 0.006 0.000 0.151 444 S C -0.870 173.659 174.600 -0.119 0.000 1.401 444 S CA -0.373 57.715 58.200 -0.187 0.000 1.221 444 S CB 0.250 63.365 63.200 -0.141 0.000 1.407 444 S HN 0.837 nan 8.310 nan 0.000 0.406 445 S N 1.587 117.224 115.700 -0.105 0.000 2.525 445 S HA 0.468 4.942 4.470 0.006 0.000 0.290 445 S C 1.528 176.126 174.600 -0.002 0.000 1.152 445 S CA 0.198 58.388 58.200 -0.017 0.000 1.072 445 S CB 1.400 64.607 63.200 0.013 0.000 1.027 445 S HN 0.796 nan 8.310 nan 0.000 0.500 446 T N 2.328 116.895 114.554 0.020 0.000 3.072 446 T HA 0.019 4.373 4.350 0.006 0.000 0.266 446 T C 0.819 175.376 174.700 -0.238 0.000 1.127 446 T CA 0.915 62.945 62.100 -0.117 0.000 1.107 446 T CB -0.470 68.288 68.868 -0.183 0.000 0.910 446 T HN 0.724 nan 8.240 nan 0.000 0.513 447 Y N 1.293 121.549 120.300 -0.074 0.000 2.462 447 Y HA 0.624 5.177 4.550 0.004 0.000 0.261 447 Y C 1.531 177.384 175.900 -0.079 0.000 1.146 447 Y CA -0.717 57.334 58.100 -0.081 0.000 1.283 447 Y CB 0.044 38.436 38.460 -0.113 0.000 1.090 447 Y HN 0.318 nan 8.280 nan 0.000 0.526 448 A N 1.185 124.040 122.820 0.057 0.000 2.302 448 A HA 0.710 5.033 4.320 0.006 0.000 0.295 448 A C -0.066 177.539 177.584 0.036 0.000 1.235 448 A CA -0.096 51.965 52.037 0.040 0.000 0.876 448 A CB -0.334 18.667 19.000 0.002 0.000 1.133 448 A HN 0.232 nan 8.150 nan 0.000 0.533 449 A N 3.694 126.545 122.820 0.052 0.000 2.311 449 A HA 0.627 4.951 4.320 0.006 0.000 0.306 449 A C -0.378 177.246 177.584 0.068 0.000 1.189 449 A CA -0.385 51.674 52.037 0.037 0.000 0.791 449 A CB 0.449 19.455 19.000 0.010 0.000 1.172 449 A HN 1.067 nan 8.150 nan 0.000 0.481 450 I N 2.082 122.708 120.570 0.092 0.000 2.412 450 I HA 0.547 4.721 4.170 0.006 0.000 0.296 450 I C -1.099 175.033 176.117 0.025 0.000 0.987 450 I CA -0.344 61.001 61.300 0.074 0.000 1.180 450 I CB 1.688 39.794 38.000 0.176 0.000 1.340 450 I HN 0.766 nan 8.210 nan 0.000 0.455 451 D N 3.449 123.834 120.400 -0.024 0.000 2.497 451 D HA 0.567 5.211 4.640 0.006 0.000 0.243 451 D C 0.753 177.003 176.300 -0.084 0.000 1.039 451 D CA -0.102 53.873 54.000 -0.042 0.000 1.052 451 D CB 2.191 42.963 40.800 -0.046 0.000 1.344 451 D HN 0.581 nan 8.370 nan 0.000 0.553 452 G N -0.119 108.637 108.800 -0.074 0.000 2.425 452 G HA2 0.014 3.977 3.960 0.006 0.000 0.213 452 G HA3 0.014 3.977 3.960 0.006 0.000 0.213 452 G C 0.500 175.330 174.900 -0.116 0.000 1.201 452 G CA 0.669 45.731 45.100 -0.064 0.000 0.799 452 G HN 0.693 nan 8.290 nan 0.000 0.534 453 N N -2.501 116.122 118.700 -0.129 0.000 3.369 453 N HA 0.484 5.228 4.740 0.006 0.000 0.362 453 N C -1.531 173.839 175.510 -0.234 0.000 1.523 453 N CA -0.887 52.083 53.050 -0.132 0.000 0.684 453 N CB 0.920 39.403 38.487 -0.006 0.000 1.796 453 N HN 0.113 nan 8.380 nan 0.000 0.641 454 Y N -0.218 120.096 120.300 0.022 0.000 2.446 454 Y HA 0.350 4.904 4.550 0.007 0.000 0.345 454 Y C -0.120 176.019 175.900 0.398 0.000 0.984 454 Y CA -0.912 57.259 58.100 0.117 0.000 1.058 454 Y CB 2.152 40.598 38.460 -0.024 0.000 1.220 454 Y HN 0.377 nan 8.280 nan 0.000 0.455 455 K N 2.393 123.148 120.400 0.592 0.000 2.118 455 K HA 0.233 4.556 4.320 0.006 0.000 0.267 455 K C -1.850 175.033 176.600 0.471 0.000 0.991 455 K CA -0.535 56.036 56.287 0.473 0.000 0.916 455 K CB 0.825 33.483 32.500 0.263 0.000 1.041 455 K HN 0.775 nan 8.250 nan 0.000 0.455 456 Y N 3.458 123.707 120.300 -0.085 0.000 2.575 456 Y HA 0.183 4.736 4.550 0.006 0.000 0.326 456 Y C -0.255 175.483 175.900 -0.270 0.000 0.979 456 Y CA -0.313 57.417 58.100 -0.617 0.000 1.286 456 Y CB 0.946 38.637 38.460 -1.281 0.000 1.093 456 Y HN 0.694 nan 8.280 nan 0.000 0.501 457 Q N 3.263 122.843 119.800 -0.367 0.000 2.166 457 Q HA 0.336 4.680 4.340 0.006 0.000 0.226 457 Q C -1.638 174.204 176.000 -0.264 0.000 0.989 457 Q CA -1.004 54.686 55.803 -0.189 0.000 0.966 457 Q CB 1.501 30.208 28.738 -0.052 0.000 1.173 457 Q HN 0.710 nan 8.270 nan 0.000 0.509 458 Y N 0.536 120.712 120.300 -0.206 0.000 2.377 458 Y HA 0.300 4.854 4.550 0.006 0.000 0.339 458 Y C -1.236 174.598 175.900 -0.111 0.000 1.011 458 Y CA -0.921 57.068 58.100 -0.185 0.000 1.093 458 Y CB 1.632 40.016 38.460 -0.127 0.000 1.201 458 Y HN 0.530 nan 8.280 nan 0.000 0.455 459 D N 6.412 126.306 120.400 -0.843 0.000 2.485 459 D HA 0.077 4.721 4.640 0.006 0.000 0.221 459 D C 0.728 176.523 176.300 -0.841 0.000 1.112 459 D CA -0.344 53.303 54.000 -0.589 0.000 0.911 459 D CB 0.745 41.348 40.800 -0.329 0.000 1.019 459 D HN 0.836 nan 8.370 nan 0.000 0.516 460 K N 2.419 122.412 120.400 -0.677 0.000 2.362 460 K HA -0.216 4.108 4.320 0.006 0.000 0.202 460 K C 0.360 176.687 176.600 -0.454 0.000 1.045 460 K CA 1.041 57.051 56.287 -0.461 0.000 0.936 460 K CB -0.134 32.238 32.500 -0.213 0.000 0.747 460 K HN 0.350 nan 8.250 nan 0.000 0.467 461 Y N 1.649 121.798 120.300 -0.252 0.000 2.186 461 Y HA 0.051 4.605 4.550 0.006 0.000 0.286 461 Y C 2.205 177.988 175.900 -0.195 0.000 1.109 461 Y CA 0.947 58.920 58.100 -0.212 0.000 1.099 461 Y CB -0.424 37.857 38.460 -0.298 0.000 1.030 461 Y HN 0.084 nan 8.280 nan 0.000 0.495 462 N N 0.243 118.913 118.700 -0.051 0.000 2.512 462 N HA -0.124 4.620 4.740 0.006 0.000 0.183 462 N C -0.212 175.227 175.510 -0.119 0.000 1.073 462 N CA 1.512 54.511 53.050 -0.084 0.000 0.911 462 N CB -0.326 38.105 38.487 -0.093 0.000 0.964 462 N HN 0.315 nan 8.380 nan 0.000 0.447 463 D N -0.274 119.995 120.400 -0.219 0.000 2.737 463 D HA -0.143 4.500 4.640 0.006 0.000 0.243 463 D C -1.385 174.814 176.300 -0.168 0.000 1.109 463 D CA 0.306 54.179 54.000 -0.211 0.000 0.702 463 D CB -1.062 39.714 40.800 -0.040 0.000 1.068 463 D HN -0.048 nan 8.370 nan 0.000 0.432 464 V N 0.165 119.900 119.914 -0.297 0.000 3.049 464 V HA 0.539 4.663 4.120 0.006 0.000 0.309 464 V C 0.273 176.224 176.094 -0.239 0.000 1.148 464 V CA -1.297 60.903 62.300 -0.168 0.000 0.990 464 V CB 2.175 33.927 31.823 -0.118 0.000 1.039 464 V HN 0.149 nan 8.190 nan 0.000 0.430 465 N N 3.031 121.634 118.700 -0.161 0.000 2.514 465 N HA 0.533 5.277 4.740 0.006 0.000 0.277 465 N C -0.395 174.793 175.510 -0.537 0.000 1.126 465 N CA -0.228 52.592 53.050 -0.383 0.000 0.978 465 N CB 1.467 39.777 38.487 -0.295 0.000 1.106 465 N HN 0.742 nan 8.380 nan 0.000 0.461 466 R N 1.535 121.569 120.500 -0.777 0.000 2.626 466 R HA 0.272 4.616 4.340 0.006 0.000 0.274 466 R C -1.490 174.526 176.300 -0.473 0.000 1.031 466 R CA -0.673 55.157 56.100 -0.449 0.000 0.898 466 R CB 1.148 31.316 30.300 -0.221 0.000 1.222 466 R HN 0.462 nan 8.270 nan 0.000 0.455 467 W N 4.208 125.463 121.300 -0.075 0.000 2.322 467 W HA 0.382 5.046 4.660 0.006 0.000 0.307 467 W C 0.113 176.628 176.519 -0.008 0.000 1.220 467 W CA -0.265 57.095 57.345 0.025 0.000 1.210 467 W CB 1.614 31.095 29.460 0.034 0.000 1.223 467 W HN 0.311 nan 8.180 nan 0.000 0.511 468 V N 2.066 122.174 119.914 0.325 0.000 2.876 468 V HA 0.636 4.760 4.120 0.006 0.000 0.312 468 V C -2.434 173.887 176.094 0.379 0.000 1.085 468 V CA -3.492 58.953 62.300 0.241 0.000 0.945 468 V CB 1.770 33.681 31.823 0.146 0.000 1.017 468 V HN 0.327 nan 8.190 nan 0.000 0.428 469 P HA 0.022 nan 4.420 nan 0.000 0.264 469 P C 0.354 177.734 177.300 0.133 0.000 1.193 469 P CA 0.098 63.377 63.100 0.299 0.000 0.763 469 P CB 1.165 32.964 31.700 0.165 0.000 0.810 470 L N 4.720 125.960 121.223 0.028 0.000 2.240 470 L HA -0.023 4.321 4.340 0.006 0.000 0.211 470 L C 2.447 179.322 176.870 0.008 0.000 1.106 470 L CA 1.727 56.588 54.840 0.035 0.000 0.793 470 L CB -1.693 40.367 42.059 0.002 0.000 0.927 470 L HN 0.439 nan 8.230 nan 0.000 0.446 471 A N 0.059 122.859 122.820 -0.033 0.000 1.884 471 A HA -0.292 4.031 4.320 0.006 0.000 0.219 471 A C 2.513 180.113 177.584 0.028 0.000 1.197 471 A CA 2.396 54.422 52.037 -0.018 0.000 0.637 471 A CB -1.309 17.671 19.000 -0.035 0.000 0.827 471 A HN 0.542 nan 8.150 nan 0.000 0.450 472 A N -0.683 122.169 122.820 0.053 0.000 1.971 472 A HA -0.322 4.002 4.320 0.006 0.000 0.222 472 A C 1.957 179.640 177.584 0.165 0.000 1.182 472 A CA 2.417 54.512 52.037 0.097 0.000 0.649 472 A CB -0.655 18.405 19.000 0.100 0.000 0.818 472 A HN 0.639 nan 8.150 nan 0.000 0.458 473 D N -0.018 120.449 120.400 0.112 0.000 2.106 473 D HA -0.106 4.538 4.640 0.006 0.000 0.203 473 D C 2.058 178.272 176.300 -0.144 0.000 0.977 473 D CA 1.512 55.556 54.000 0.074 0.000 0.844 473 D CB -0.304 40.556 40.800 0.101 0.000 1.002 473 D HN 0.582 nan 8.370 nan 0.000 0.461 474 I N -0.656 119.846 120.570 -0.113 0.000 2.399 474 I HA -0.225 3.949 4.170 0.006 0.000 0.254 474 I C 2.240 178.278 176.117 -0.132 0.000 1.146 474 I CA 1.602 62.804 61.300 -0.163 0.000 1.412 474 I CB -0.438 37.514 38.000 -0.080 0.000 1.076 474 I HN -0.100 nan 8.210 nan 0.000 0.432 475 A N 1.937 124.752 122.820 -0.008 0.000 1.902 475 A HA -0.029 4.295 4.320 0.006 0.000 0.217 475 A C 2.429 180.097 177.584 0.139 0.000 1.181 475 A CA 1.803 53.900 52.037 0.099 0.000 0.623 475 A CB -1.567 17.534 19.000 0.168 0.000 0.818 475 A HN 0.560 nan 8.150 nan 0.000 0.443 476 G N -0.707 108.137 108.800 0.074 0.000 2.422 476 G HA2 -0.057 3.906 3.960 0.006 0.000 0.218 476 G HA3 -0.057 3.906 3.960 0.006 0.000 0.218 476 G C 1.333 175.998 174.900 -0.391 0.000 1.140 476 G CA 0.955 45.853 45.100 -0.336 0.000 0.775 476 G HN 0.422 nan 8.290 nan 0.000 0.545 477 L N 0.334 121.156 121.223 -0.669 0.000 2.456 477 L HA 0.092 4.436 4.340 0.006 0.000 0.224 477 L C 2.304 179.059 176.870 -0.192 0.000 1.148 477 L CA 0.779 55.295 54.840 -0.541 0.000 0.825 477 L CB -0.317 41.415 42.059 -0.546 0.000 0.937 477 L HN 0.256 nan 8.230 nan 0.000 0.450 478 C N -2.186 117.042 119.300 -0.120 0.000 2.524 478 C HA 0.207 4.671 4.460 0.006 0.000 0.284 478 C C 2.854 177.840 174.990 -0.007 0.000 1.346 478 C CA 0.185 59.181 59.018 -0.038 0.000 1.739 478 C CB -0.943 26.795 27.740 -0.002 0.000 2.119 478 C HN 0.629 nan 8.230 nan 0.000 0.501 479 A N 0.606 123.430 122.820 0.008 0.000 1.986 479 A HA -0.230 4.094 4.320 0.006 0.000 0.220 479 A C 2.231 179.821 177.584 0.009 0.000 1.171 479 A CA 1.614 53.667 52.037 0.026 0.000 0.640 479 A CB -0.493 18.525 19.000 0.030 0.000 0.811 479 A HN 0.645 nan 8.150 nan 0.000 0.451 480 R N -1.780 118.719 120.500 -0.002 0.000 2.140 480 R HA -0.017 4.327 4.340 0.006 0.000 0.213 480 R C 2.042 178.348 176.300 0.010 0.000 1.059 480 R CA 1.194 57.303 56.100 0.014 0.000 1.000 480 R CB -0.590 29.736 30.300 0.044 0.000 0.910 480 R HN 0.495 nan 8.270 nan 0.000 0.455 481 T N 1.270 115.824 114.554 -0.001 0.000 2.848 481 T HA -0.152 4.202 4.350 0.006 0.000 0.269 481 T C 0.176 174.879 174.700 0.005 0.000 1.081 481 T CA 0.972 63.071 62.100 -0.002 0.000 1.125 481 T CB -0.465 68.395 68.868 -0.012 0.000 0.848 481 T HN 0.169 nan 8.240 nan 0.000 0.503 482 D N 2.943 123.349 120.400 0.010 0.000 2.923 482 D HA -0.083 4.561 4.640 0.006 0.000 0.220 482 D C 0.394 176.702 176.300 0.012 0.000 1.099 482 D CA 0.455 54.464 54.000 0.015 0.000 0.807 482 D CB 0.029 40.842 40.800 0.021 0.000 1.155 482 D HN 0.552 nan 8.370 nan 0.000 0.524 483 N N 2.211 120.917 118.700 0.011 0.000 3.105 483 N HA 0.194 4.938 4.740 0.006 0.000 0.256 483 N C 0.099 175.615 175.510 0.010 0.000 1.174 483 N CA -0.594 52.461 53.050 0.009 0.000 1.030 483 N CB 0.700 39.190 38.487 0.005 0.000 1.305 483 N HN 0.106 nan 8.380 nan 0.000 0.509 497 G N -0.184 108.624 108.800 0.013 0.000 2.543 497 G HA2 0.416 4.380 3.960 0.006 0.000 0.267 497 G HA3 0.416 4.380 3.960 0.006 0.000 0.267 497 G C -1.106 173.821 174.900 0.045 0.000 1.406 497 G CA -0.166 44.957 45.100 0.040 0.000 1.048 497 G HN 0.511 nan 8.290 nan 0.000 0.548 498 Q N -0.438 119.407 119.800 0.074 0.000 2.345 498 Q HA 0.422 4.765 4.340 0.006 0.000 0.268 498 Q C 0.066 176.142 176.000 0.126 0.000 1.054 498 Q CA -0.983 54.861 55.803 0.069 0.000 0.835 498 Q CB 1.467 30.238 28.738 0.056 0.000 1.339 498 Q HN 0.596 nan 8.270 nan 0.000 0.447 499 I N 1.863 122.509 120.570 0.126 0.000 2.588 499 I HA 0.247 4.420 4.170 0.006 0.000 0.283 499 I C -0.737 175.506 176.117 0.211 0.000 1.119 499 I CA -0.153 61.277 61.300 0.217 0.000 1.419 499 I CB -0.309 37.782 38.000 0.152 0.000 1.394 499 I HN 0.787 nan 8.210 nan 0.000 0.562 500 L N 6.874 128.268 121.223 0.284 0.000 2.418 500 L HA 0.322 4.665 4.340 0.006 0.000 0.265 500 L C 0.412 177.313 176.870 0.052 0.000 1.143 500 L CA 0.289 55.152 54.840 0.038 0.000 0.809 500 L CB 0.269 42.162 42.059 -0.277 0.000 1.124 500 L HN 0.963 nan 8.230 nan 0.000 0.456 501 N N 1.104 119.811 118.700 0.013 0.000 1.597 501 N HA -0.260 4.484 4.740 0.006 0.000 0.143 501 N C -0.486 175.051 175.510 0.045 0.000 0.872 501 N CA 0.717 53.786 53.050 0.032 0.000 0.924 501 N CB -0.635 37.886 38.487 0.056 0.000 1.077 501 N HN 0.785 nan 8.380 nan 0.000 0.604 502 V N 0.141 120.087 119.914 0.054 0.000 3.587 502 V HA -0.092 4.031 4.120 0.006 0.000 0.395 502 V C 1.086 177.222 176.094 0.069 0.000 0.626 502 V CA 0.686 63.031 62.300 0.074 0.000 1.825 502 V CB -1.314 30.564 31.823 0.092 0.000 2.296 502 V HN 0.752 nan 8.190 nan 0.000 0.484 503 I N 0.470 121.083 120.570 0.070 0.000 2.876 503 I HA 0.417 4.591 4.170 0.006 0.000 0.264 503 I C 0.741 176.906 176.117 0.079 0.000 1.204 503 I CA 1.129 62.471 61.300 0.071 0.000 1.485 503 I CB 0.098 38.149 38.000 0.086 0.000 1.103 503 I HN 0.519 nan 8.210 nan 0.000 0.446 504 K N 1.374 121.837 120.400 0.104 0.000 2.570 504 K HA 0.550 4.874 4.320 0.006 0.000 0.256 504 K C -1.695 175.012 176.600 0.178 0.000 0.939 504 K CA -0.621 55.719 56.287 0.087 0.000 0.833 504 K CB 2.259 34.728 32.500 -0.053 0.000 1.318 504 K HN 0.153 nan 8.250 nan 0.000 0.433 505 L N 2.867 124.220 121.223 0.216 0.000 2.331 505 L HA 0.492 4.836 4.340 0.006 0.000 0.275 505 L C 1.328 178.421 176.870 0.373 0.000 1.022 505 L CA -0.609 54.417 54.840 0.310 0.000 0.812 505 L CB 1.757 43.924 42.059 0.180 0.000 1.257 505 L HN 0.936 nan 8.230 nan 0.000 0.435 506 A N 3.589 126.644 122.820 0.391 0.000 2.139 506 A HA -0.052 4.272 4.320 0.006 0.000 0.221 506 A C 0.893 178.528 177.584 0.086 0.000 1.159 506 A CA 1.243 53.365 52.037 0.141 0.000 0.662 506 A CB -0.714 18.257 19.000 -0.047 0.000 0.796 506 A HN 0.603 nan 8.150 nan 0.000 0.463 507 I N -5.517 115.113 120.570 0.100 0.000 2.642 507 I HA 0.546 4.720 4.170 0.006 0.000 0.273 507 I C -0.994 175.162 176.117 0.066 0.000 1.208 507 I CA -0.414 60.923 61.300 0.062 0.000 1.037 507 I CB 0.600 38.618 38.000 0.031 0.000 1.253 507 I HN 0.128 nan 8.210 nan 0.000 0.504 508 E N 2.591 122.833 120.200 0.071 0.000 7.332 508 E HA -0.076 4.277 4.350 0.006 0.000 0.192 508 E C -0.270 176.368 176.600 0.063 0.000 0.927 508 E CA 0.027 56.459 56.400 0.055 0.000 1.657 508 E CB -0.069 29.655 29.700 0.040 0.000 0.901 508 E HN 0.856 nan 8.360 nan 0.000 0.276 509 T N 2.778 117.368 114.554 0.061 0.000 2.752 509 T HA -0.031 4.323 4.350 0.006 0.000 0.356 509 T C -1.397 173.332 174.700 0.049 0.000 1.067 509 T CA 0.036 62.169 62.100 0.056 0.000 1.124 509 T CB 0.082 68.973 68.868 0.039 0.000 1.058 509 T HN 0.295 nan 8.240 nan 0.000 0.532 510 P HA 0.000 nan 4.420 nan 0.000 0.216 510 P CA 0.000 63.123 63.100 0.039 0.000 0.800 510 P CB 0.000 31.726 31.700 0.043 0.000 0.726