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 1gnl_1_A DATA FIRST_RESID 1 DATA SEQUENCE SNAMFCYQCQ ETVGNKGCTQ VGVCGKKPET AALQDALIYV TKGLGQIATR DATA SEQUENCE LRAEGKAVDH RIDRLVTGNL FATITNANFD DDILAERVRM TCAAKKELAA DATA SEQUENCE SLTDKSGLSD AALWEASEKS AMLAKAGTVG VMATTDDDVR SLRWLITFGL DATA SEQUENCE KGMAAYAKHA DVLGKHENSL DAFMQEALAK TLDDSLSVAD LVALTLETGK DATA SEQUENCE FGVSAMALLD AANTGTYGHP EITKVNIGVG SNPGILISGH DLRDLEMLLK DATA SEQUENCE QTEGTGVDVY THSEMLPAHY YPAFKKYAHF KGNYGNAWWK QKEEFESFNG DATA SEQUENCE PVLLTTNCLV PPKDSYKDRV YTTGIVGFTG CKHIPGEIGE HKDFSAIIAH DATA SEQUENCE AKTCPAPTEI ESGEIIGGFA HNQVLALADK VIDAVKSGAI KKFVVMAGCD DATA SEQUENCE GRAKSRSYYT DFAEGLPKDT VILTAGCAKY RYNKLNLGDI GGIPRVLDAG DATA SEQUENCE QCNDSYSLAV IALKLKEVFG LEDVNDLPIV YNIAWYEQKA VIVLLALLSL DATA SEQUENCE GVKNIHLGPT LPAFLSPNVA KVLVEQFNIG GITSPQDDLK AFF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.603 174.600 0.005 0.000 1.055 1 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 1 S CB 0.000 63.195 63.200 -0.009 0.000 0.593 2 N N 1.951 120.659 118.700 0.014 0.000 2.357 2 N HA 0.228 4.831 4.740 -0.228 0.000 0.257 2 N C 1.452 176.970 175.510 0.014 0.000 1.250 2 N CA 0.587 53.653 53.050 0.026 0.000 0.862 2 N CB 0.895 39.421 38.487 0.065 0.000 1.066 2 N HN 0.925 nan 8.380 nan 0.000 0.468 3 A N 2.557 125.383 122.820 0.011 0.000 2.066 3 A HA -0.010 4.174 4.320 -0.228 0.000 0.218 3 A C 0.875 178.460 177.584 0.001 0.000 1.157 3 A CA 1.139 53.177 52.037 0.003 0.000 0.670 3 A CB -0.270 18.731 19.000 0.002 0.000 0.804 3 A HN 0.825 nan 8.150 nan 0.000 0.453 4 M N -5.188 114.418 119.600 0.009 0.000 2.773 4 M HA 0.738 5.082 4.480 -0.228 0.000 0.270 4 M C -1.697 174.630 176.300 0.045 0.000 1.238 4 M CA -0.764 54.538 55.300 0.004 0.000 0.832 4 M CB 1.742 34.327 32.600 -0.024 0.000 1.672 4 M HN 0.004 nan 8.290 nan 0.000 0.480 5 F N 1.556 121.433 119.950 -0.123 0.000 2.653 5 F HA 0.725 5.116 4.527 -0.228 0.000 0.327 5 F C -1.929 173.752 175.800 -0.199 0.000 1.195 5 F CA -0.646 57.252 58.000 -0.170 0.000 0.993 5 F CB 1.661 40.520 39.000 -0.236 0.000 1.259 5 F HN 1.025 nan 8.300 nan 0.000 0.478 6 C N 7.797 126.701 119.300 -0.660 0.000 2.608 6 C HA 0.667 4.990 4.460 -0.228 0.000 0.325 6 C C -0.874 173.893 174.990 -0.372 0.000 1.147 6 C CA -0.348 58.456 59.018 -0.357 0.000 1.359 6 C CB 0.812 28.443 27.740 -0.182 0.000 1.912 6 C HN 0.813 nan 8.230 nan 0.000 0.466 7 Y N 4.414 124.578 120.300 -0.227 0.000 2.742 7 Y HA 0.292 4.706 4.550 -0.227 0.000 0.248 7 Y C 1.152 177.116 175.900 0.107 0.000 1.132 7 Y CA -0.542 57.526 58.100 -0.053 0.000 1.142 7 Y CB -1.520 37.004 38.460 0.106 0.000 1.222 7 Y HN 0.764 nan 8.280 nan 0.000 0.575 8 Q N 0.734 120.526 119.800 -0.015 0.000 2.432 8 Q HA 0.178 4.381 4.340 -0.228 0.000 0.205 8 Q C 0.792 176.671 176.000 -0.202 0.000 0.945 8 Q CA 0.876 56.312 55.803 -0.613 0.000 0.924 8 Q CB 0.056 28.051 28.738 -1.238 0.000 1.016 8 Q HN 0.483 nan 8.270 nan 0.000 0.503 9 C N -1.901 117.330 119.300 -0.116 0.000 2.630 9 C HA 0.375 4.698 4.460 -0.228 0.000 0.346 9 C C 1.483 176.297 174.990 -0.295 0.000 1.245 9 C CA -0.762 58.078 59.018 -0.296 0.000 1.804 9 C CB 2.086 29.423 27.740 -0.672 0.000 2.279 9 C HN 0.390 nan 8.230 nan 0.000 0.498 10 Q N 0.478 119.775 119.800 -0.838 0.000 2.226 10 Q HA -0.113 4.090 4.340 -0.228 0.000 0.204 10 Q C 1.472 177.345 176.000 -0.212 0.000 0.975 10 Q CA 1.961 57.294 55.803 -0.784 0.000 0.866 10 Q CB -0.073 27.924 28.738 -1.234 0.000 0.915 10 Q HN 0.925 nan 8.270 nan 0.000 0.440 11 E N 0.393 120.544 120.200 -0.082 0.000 2.476 11 E HA 0.024 4.238 4.350 -0.228 0.000 0.191 11 E C 0.096 176.708 176.600 0.020 0.000 1.064 11 E CA -0.200 56.218 56.400 0.031 0.000 0.866 11 E CB 0.182 29.982 29.700 0.166 0.000 0.952 11 E HN 0.116 nan 8.360 nan 0.000 0.492 12 T N 0.951 115.507 114.554 0.003 0.000 2.946 12 T HA -0.029 4.184 4.350 -0.228 0.000 0.312 12 T C 0.451 175.158 174.700 0.012 0.000 1.066 12 T CA -0.323 61.781 62.100 0.006 0.000 1.138 12 T CB 0.463 69.353 68.868 0.038 0.000 1.014 12 T HN -0.170 nan 8.240 nan 0.000 0.544 13 V N 5.773 125.682 119.914 -0.008 0.000 2.584 13 V HA 0.244 4.227 4.120 -0.228 0.000 0.303 13 V C 1.847 177.953 176.094 0.021 0.000 1.035 13 V CA 1.105 63.407 62.300 0.003 0.000 1.172 13 V CB 0.062 31.878 31.823 -0.011 0.000 0.896 13 V HN 1.318 nan 8.190 nan 0.000 0.486 14 G N 4.952 113.769 108.800 0.027 0.000 2.187 14 G HA2 -0.371 3.453 3.960 -0.228 0.000 0.261 14 G HA3 -0.371 3.453 3.960 -0.228 0.000 0.261 14 G C 0.613 175.544 174.900 0.052 0.000 1.000 14 G CA 0.663 45.785 45.100 0.037 0.000 0.718 14 G HN 1.314 nan 8.290 nan 0.000 0.519 15 N N -1.395 117.338 118.700 0.055 0.000 2.721 15 N HA -0.178 4.426 4.740 -0.228 0.000 0.249 15 N C 1.225 176.799 175.510 0.107 0.000 1.072 15 N CA 2.172 55.267 53.050 0.075 0.000 0.710 15 N CB -0.769 37.758 38.487 0.066 0.000 0.993 15 N HN 0.859 nan 8.380 nan 0.000 0.547 16 K N -1.900 118.573 120.400 0.122 0.000 2.585 16 K HA 0.417 4.601 4.320 -0.228 0.000 0.198 16 K C 0.652 177.385 176.600 0.222 0.000 1.403 16 K CA 0.474 56.873 56.287 0.187 0.000 1.021 16 K CB 1.084 33.671 32.500 0.146 0.000 1.558 16 K HN 0.206 nan 8.250 nan 0.000 0.524 17 G N 0.706 109.520 108.800 0.025 0.000 2.378 17 G HA2 0.130 3.953 3.960 -0.228 0.000 0.302 17 G HA3 0.130 3.953 3.960 -0.228 0.000 0.302 17 G C -1.262 173.448 174.900 -0.316 0.000 1.669 17 G CA -0.989 43.913 45.100 -0.330 0.000 0.920 17 G HN 0.121 nan 8.290 nan 0.000 0.697 18 C N 2.187 121.260 119.300 -0.377 0.000 2.464 18 C HA 0.581 4.904 4.460 -0.228 0.000 0.370 18 C C 1.845 176.677 174.990 -0.264 0.000 1.267 18 C CA 0.415 59.297 59.018 -0.227 0.000 1.781 18 C CB -0.235 27.414 27.740 -0.152 0.000 2.431 18 C HN 0.978 nan 8.230 nan 0.000 0.556 19 T N -0.532 113.947 114.554 -0.125 0.000 2.975 19 T HA 0.106 4.319 4.350 -0.228 0.000 0.257 19 T C 0.990 175.679 174.700 -0.017 0.000 1.003 19 T CA 0.222 62.292 62.100 -0.050 0.000 0.932 19 T CB 0.130 69.010 68.868 0.020 0.000 1.087 19 T HN 0.710 nan 8.240 nan 0.000 0.512 20 Q N -0.158 119.631 119.800 -0.019 0.000 2.644 20 Q HA 0.533 4.737 4.340 -0.228 0.000 0.220 20 Q C -0.235 175.766 176.000 0.001 0.000 0.866 20 Q CA 0.121 55.923 55.803 -0.003 0.000 0.915 20 Q CB 1.257 29.998 28.738 0.004 0.000 1.191 20 Q HN 0.304 nan 8.270 nan 0.000 0.641 21 V N 0.124 120.040 119.914 0.004 0.000 2.971 21 V HA 0.635 4.619 4.120 -0.228 0.000 0.309 21 V C -1.004 175.102 176.094 0.020 0.000 1.130 21 V CA -0.734 61.579 62.300 0.021 0.000 0.964 21 V CB 1.917 33.761 31.823 0.036 0.000 1.029 21 V HN 0.361 nan 8.190 nan 0.000 0.427 22 G N 2.881 111.705 108.800 0.041 0.000 2.483 22 G HA2 0.375 4.199 3.960 -0.228 0.000 0.248 22 G HA3 0.375 4.199 3.960 -0.228 0.000 0.248 22 G C 0.979 175.926 174.900 0.079 0.000 1.248 22 G CA 0.220 45.347 45.100 0.045 0.000 0.838 22 G HN 0.837 nan 8.290 nan 0.000 0.566 23 V N 1.530 121.486 119.914 0.071 0.000 2.469 23 V HA -0.267 3.717 4.120 -0.228 0.000 0.251 23 V C 2.994 179.183 176.094 0.157 0.000 1.064 23 V CA 2.134 64.492 62.300 0.096 0.000 1.066 23 V CB -0.847 31.026 31.823 0.084 0.000 0.667 23 V HN 1.016 nan 8.190 nan 0.000 0.461 24 C N -0.236 119.183 119.300 0.199 0.000 2.472 24 C HA 0.478 4.801 4.460 -0.228 0.000 0.278 24 C C 2.069 177.260 174.990 0.336 0.000 1.447 24 C CA -0.030 59.167 59.018 0.299 0.000 1.773 24 C CB -0.918 27.006 27.740 0.306 0.000 1.793 24 C HN 0.859 nan 8.230 nan 0.000 0.544 25 G N 0.366 109.323 108.800 0.260 0.000 2.195 25 G HA2 -0.238 3.585 3.960 -0.228 0.000 0.224 25 G HA3 -0.238 3.585 3.960 -0.228 0.000 0.224 25 G C 0.092 175.192 174.900 0.332 0.000 0.990 25 G CA 0.199 45.441 45.100 0.237 0.000 0.639 25 G HN 0.791 nan 8.290 nan 0.000 0.514 26 K N 1.643 122.276 120.400 0.389 0.000 2.412 26 K HA 0.345 4.528 4.320 -0.228 0.000 0.284 26 K C 0.660 177.351 176.600 0.151 0.000 1.046 26 K CA 0.052 56.516 56.287 0.295 0.000 0.999 26 K CB 0.180 32.738 32.500 0.097 0.000 0.941 26 K HN 0.320 nan 8.250 nan 0.000 0.474 27 K N 5.072 125.553 120.400 0.135 0.000 2.126 27 K HA 0.112 4.295 4.320 -0.228 0.000 0.257 27 K C -1.675 174.946 176.600 0.034 0.000 1.007 27 K CA -1.904 54.424 56.287 0.069 0.000 0.928 27 K CB 0.687 33.221 32.500 0.056 0.000 1.013 27 K HN 0.410 nan 8.250 nan 0.000 0.473 28 P HA -0.182 nan 4.420 nan 0.000 0.216 28 P C 0.417 177.717 177.300 -0.000 0.000 1.150 28 P CA 1.499 64.601 63.100 0.004 0.000 0.837 28 P CB 0.208 31.909 31.700 0.002 0.000 0.786 29 E N -0.766 119.436 120.200 0.002 0.000 2.150 29 E HA -0.085 4.128 4.350 -0.228 0.000 0.193 29 E C 1.915 178.514 176.600 -0.003 0.000 0.985 29 E CA 1.274 57.673 56.400 -0.001 0.000 0.814 29 E CB -0.575 29.124 29.700 -0.001 0.000 0.752 29 E HN 0.271 nan 8.360 nan 0.000 0.466 30 T N 1.121 115.675 114.554 -0.000 0.000 2.708 30 T HA -0.158 4.055 4.350 -0.228 0.000 0.266 30 T C 2.068 176.756 174.700 -0.021 0.000 1.037 30 T CA 1.270 63.364 62.100 -0.009 0.000 1.146 30 T CB -0.234 68.640 68.868 0.009 0.000 0.865 30 T HN 0.238 nan 8.240 nan 0.000 0.435 31 A N 1.494 124.303 122.820 -0.018 0.000 1.908 31 A HA 0.099 4.282 4.320 -0.228 0.000 0.218 31 A C 2.634 180.207 177.584 -0.019 0.000 1.181 31 A CA 1.934 53.954 52.037 -0.028 0.000 0.627 31 A CB -1.105 17.876 19.000 -0.031 0.000 0.818 31 A HN 0.518 nan 8.150 nan 0.000 0.445 32 A N -0.289 122.522 122.820 -0.015 0.000 1.873 32 A HA -0.016 4.168 4.320 -0.228 0.000 0.215 32 A C 2.165 179.748 177.584 -0.003 0.000 1.186 32 A CA 1.447 53.474 52.037 -0.016 0.000 0.616 32 A CB -0.615 18.375 19.000 -0.017 0.000 0.823 32 A HN 0.468 nan 8.150 nan 0.000 0.442 33 L N -0.711 120.515 121.223 0.006 0.000 2.083 33 L HA -0.269 3.934 4.340 -0.228 0.000 0.209 33 L C 2.906 179.794 176.870 0.031 0.000 1.083 33 L CA 1.594 56.447 54.840 0.023 0.000 0.752 33 L CB -0.606 41.461 42.059 0.015 0.000 0.899 33 L HN 0.502 nan 8.230 nan 0.000 0.433 34 Q N -0.291 119.518 119.800 0.015 0.000 2.084 34 Q HA -0.210 3.993 4.340 -0.228 0.000 0.202 34 Q C 1.807 177.847 176.000 0.066 0.000 0.978 34 Q CA 1.497 57.318 55.803 0.030 0.000 0.844 34 Q CB -0.129 28.611 28.738 0.003 0.000 0.898 34 Q HN 0.474 nan 8.270 nan 0.000 0.426 35 D N 0.558 120.988 120.400 0.050 0.000 2.117 35 D HA -0.132 4.372 4.640 -0.228 0.000 0.197 35 D C 1.775 178.126 176.300 0.085 0.000 0.987 35 D CA 1.379 55.422 54.000 0.072 0.000 0.829 35 D CB -0.200 40.604 40.800 0.007 0.000 0.961 35 D HN 0.260 nan 8.370 nan 0.000 0.460 36 A N 0.568 123.417 122.820 0.049 0.000 1.902 36 A HA -0.129 4.054 4.320 -0.228 0.000 0.217 36 A C 2.138 179.825 177.584 0.172 0.000 1.181 36 A CA 0.940 53.022 52.037 0.074 0.000 0.623 36 A CB -0.680 18.365 19.000 0.075 0.000 0.818 36 A HN 0.237 nan 8.150 nan 0.000 0.443 37 L N -0.104 121.199 121.223 0.134 0.000 2.046 37 L HA -0.122 4.082 4.340 -0.228 0.000 0.208 37 L C 2.119 179.064 176.870 0.126 0.000 1.077 37 L CA 1.609 56.522 54.840 0.123 0.000 0.747 37 L CB -0.400 41.707 42.059 0.081 0.000 0.896 37 L HN 0.329 nan 8.230 nan 0.000 0.432 38 I N -1.242 119.414 120.570 0.144 0.000 2.226 38 I HA -0.317 3.717 4.170 -0.228 0.000 0.245 38 I C 2.470 178.676 176.117 0.148 0.000 1.100 38 I CA 1.442 62.830 61.300 0.146 0.000 1.374 38 I CB -1.359 36.773 38.000 0.219 0.000 1.057 38 I HN 0.350 nan 8.210 nan 0.000 0.413 39 Y N 2.281 122.610 120.300 0.049 0.000 2.097 39 Y HA -0.251 4.161 4.550 -0.230 0.000 0.282 39 Y C 2.621 178.539 175.900 0.030 0.000 1.152 39 Y CA 2.492 60.600 58.100 0.014 0.000 1.136 39 Y CB -0.501 37.942 38.460 -0.029 0.000 0.975 39 Y HN 0.071 nan 8.280 nan 0.000 0.498 40 V N -3.493 116.504 119.914 0.138 0.000 2.809 40 V HA -0.156 3.827 4.120 -0.228 0.000 0.256 40 V C 1.886 177.975 176.094 -0.008 0.000 1.080 40 V CA 2.142 64.484 62.300 0.069 0.000 1.102 40 V CB -1.371 30.581 31.823 0.214 0.000 0.705 40 V HN 0.421 nan 8.190 nan 0.000 0.475 41 T N 0.393 114.948 114.554 0.002 0.000 2.777 41 T HA -0.098 4.116 4.350 -0.228 0.000 0.266 41 T C 1.867 176.517 174.700 -0.084 0.000 1.040 41 T CA 1.955 64.037 62.100 -0.030 0.000 1.141 41 T CB -0.257 68.606 68.868 -0.009 0.000 0.868 41 T HN 0.561 nan 8.240 nan 0.000 0.444 42 K N 0.641 120.971 120.400 -0.117 0.000 2.097 42 K HA -0.015 4.168 4.320 -0.228 0.000 0.206 42 K C 2.607 179.093 176.600 -0.190 0.000 1.049 42 K CA 1.146 57.330 56.287 -0.173 0.000 0.933 42 K CB -0.421 31.957 32.500 -0.204 0.000 0.717 42 K HN 0.360 nan 8.250 nan 0.000 0.442 43 G N 1.660 110.329 108.800 -0.218 0.000 2.418 43 G HA2 -0.247 3.576 3.960 -0.228 0.000 0.217 43 G HA3 -0.247 3.576 3.960 -0.228 0.000 0.217 43 G C 1.433 176.264 174.900 -0.115 0.000 1.158 43 G CA 0.508 45.496 45.100 -0.186 0.000 0.771 43 G HN 0.160 nan 8.290 nan 0.000 0.545 44 L N 1.747 122.915 121.223 -0.090 0.000 2.042 44 L HA 0.110 4.314 4.340 -0.228 0.000 0.210 44 L C 2.759 179.580 176.870 -0.082 0.000 1.076 44 L CA 2.399 57.198 54.840 -0.070 0.000 0.749 44 L CB -1.057 40.970 42.059 -0.053 0.000 0.893 44 L HN 0.164 nan 8.230 nan 0.000 0.432 45 G N -1.320 107.419 108.800 -0.102 0.000 2.440 45 G HA2 -0.355 3.469 3.960 -0.228 0.000 0.218 45 G HA3 -0.355 3.469 3.960 -0.228 0.000 0.218 45 G C 1.499 176.330 174.900 -0.115 0.000 1.154 45 G CA 0.815 45.844 45.100 -0.117 0.000 0.767 45 G HN 0.576 nan 8.290 nan 0.000 0.552 46 Q N -0.132 119.598 119.800 -0.117 0.000 2.050 46 Q HA -0.072 4.131 4.340 -0.228 0.000 0.202 46 Q C 2.584 178.537 176.000 -0.079 0.000 0.980 46 Q CA 1.231 56.973 55.803 -0.103 0.000 0.840 46 Q CB -0.220 28.455 28.738 -0.105 0.000 0.898 46 Q HN 0.556 nan 8.270 nan 0.000 0.424 47 I N 0.804 121.332 120.570 -0.070 0.000 2.179 47 I HA -0.284 3.749 4.170 -0.228 0.000 0.242 47 I C 2.498 178.586 176.117 -0.048 0.000 1.088 47 I CA 1.114 62.382 61.300 -0.053 0.000 1.357 47 I CB -0.440 37.532 38.000 -0.047 0.000 1.051 47 I HN 0.287 nan 8.210 nan 0.000 0.409 48 A N 0.165 122.953 122.820 -0.052 0.000 1.902 48 A HA -0.207 3.976 4.320 -0.228 0.000 0.217 48 A C 2.385 179.943 177.584 -0.044 0.000 1.181 48 A CA 2.445 54.455 52.037 -0.044 0.000 0.623 48 A CB -1.111 17.860 19.000 -0.047 0.000 0.818 48 A HN 0.393 nan 8.150 nan 0.000 0.443 49 T N -0.376 114.142 114.554 -0.060 0.000 2.746 49 T HA -0.122 4.092 4.350 -0.228 0.000 0.267 49 T C 2.107 176.781 174.700 -0.043 0.000 1.039 49 T CA 1.312 63.376 62.100 -0.060 0.000 1.142 49 T CB -0.216 68.602 68.868 -0.084 0.000 0.866 49 T HN 0.354 nan 8.240 nan 0.000 0.444 50 R N 0.719 121.193 120.500 -0.043 0.000 2.092 50 R HA 0.107 4.310 4.340 -0.228 0.000 0.231 50 R C 2.471 178.756 176.300 -0.024 0.000 1.119 50 R CA 0.787 56.867 56.100 -0.033 0.000 0.970 50 R CB -0.946 29.334 30.300 -0.035 0.000 0.864 50 R HN 0.412 nan 8.270 nan 0.000 0.440 51 L N 0.229 121.438 121.223 -0.024 0.000 2.017 51 L HA -0.170 4.033 4.340 -0.228 0.000 0.208 51 L C 2.703 179.567 176.870 -0.011 0.000 1.073 51 L CA 1.460 56.290 54.840 -0.016 0.000 0.745 51 L CB -0.353 41.696 42.059 -0.015 0.000 0.894 51 L HN 0.132 nan 8.230 nan 0.000 0.432 52 R N -0.235 120.258 120.500 -0.012 0.000 2.081 52 R HA -0.153 4.050 4.340 -0.228 0.000 0.235 52 R C 2.369 178.666 176.300 -0.004 0.000 1.131 52 R CA 1.364 57.461 56.100 -0.005 0.000 0.960 52 R CB -0.524 29.773 30.300 -0.005 0.000 0.856 52 R HN 0.361 nan 8.270 nan 0.000 0.436 53 A N 1.198 124.013 122.820 -0.009 0.000 2.019 53 A HA -0.156 4.028 4.320 -0.228 0.000 0.219 53 A C 1.636 179.217 177.584 -0.006 0.000 1.164 53 A CA 1.199 53.231 52.037 -0.008 0.000 0.644 53 A CB -0.191 18.802 19.000 -0.013 0.000 0.805 53 A HN 0.313 nan 8.150 nan 0.000 0.449 54 E N -1.468 118.727 120.200 -0.007 0.000 2.502 54 E HA 0.215 4.428 4.350 -0.228 0.000 0.194 54 E C 1.037 177.636 176.600 -0.002 0.000 1.062 54 E CA 0.264 56.660 56.400 -0.006 0.000 0.867 54 E CB -0.120 29.575 29.700 -0.008 0.000 0.888 54 E HN 0.740 nan 8.360 nan 0.000 0.510 55 G N 2.134 110.934 108.800 -0.000 0.000 2.136 55 G HA2 -0.288 3.536 3.960 -0.228 0.000 0.242 55 G HA3 -0.288 3.536 3.960 -0.228 0.000 0.242 55 G C -0.060 174.842 174.900 0.003 0.000 0.989 55 G CA 0.131 45.232 45.100 0.003 0.000 0.682 55 G HN 0.140 nan 8.290 nan 0.000 0.522 56 K N 0.250 120.651 120.400 0.001 0.000 2.123 56 K HA 0.735 4.918 4.320 -0.228 0.000 0.259 56 K C 0.677 177.280 176.600 0.005 0.000 0.960 56 K CA -0.123 56.165 56.287 0.002 0.000 0.872 56 K CB 1.756 34.255 32.500 -0.002 0.000 1.079 56 K HN 0.481 nan 8.250 nan 0.000 0.440 57 A N 1.770 124.595 122.820 0.008 0.000 2.445 57 A HA 0.305 4.489 4.320 -0.228 0.000 0.242 57 A C -0.332 177.260 177.584 0.013 0.000 1.075 57 A CA -0.338 51.708 52.037 0.014 0.000 0.777 57 A CB 0.356 19.366 19.000 0.017 0.000 1.013 57 A HN 0.418 nan 8.150 nan 0.000 0.493 58 V N 3.276 123.202 119.914 0.020 0.000 2.443 58 V HA 0.187 4.171 4.120 -0.228 0.000 0.293 58 V C -0.197 175.918 176.094 0.034 0.000 1.021 58 V CA -0.592 61.718 62.300 0.017 0.000 0.848 58 V CB 1.342 33.171 31.823 0.011 0.000 0.998 58 V HN 1.066 nan 8.190 nan 0.000 0.424 59 D N 1.824 122.240 120.400 0.028 0.000 2.382 59 D HA 0.046 4.550 4.640 -0.228 0.000 0.240 59 D C 1.220 177.556 176.300 0.060 0.000 1.146 59 D CA 0.211 54.238 54.000 0.045 0.000 0.897 59 D CB 0.764 41.579 40.800 0.025 0.000 1.197 59 D HN 0.656 nan 8.370 nan 0.000 0.432 60 H N 2.379 121.422 119.070 -0.045 0.000 2.518 60 H HA -0.030 4.389 4.556 -0.230 0.000 0.289 60 H C 1.870 177.142 175.328 -0.094 0.000 1.051 60 H CA 1.517 57.502 56.048 -0.106 0.000 1.280 60 H CB 0.178 29.810 29.762 -0.217 0.000 1.380 60 H HN 0.396 nan 8.280 nan 0.000 0.566 61 R N -0.052 120.382 120.500 -0.109 0.000 2.105 61 R HA -0.111 4.092 4.340 -0.228 0.000 0.239 61 R C 1.548 177.763 176.300 -0.142 0.000 1.135 61 R CA 1.520 57.535 56.100 -0.140 0.000 0.967 61 R CB -0.104 30.158 30.300 -0.064 0.000 0.861 61 R HN 0.301 nan 8.270 nan 0.000 0.442 62 I N 1.636 122.148 120.570 -0.097 0.000 2.252 62 I HA -0.230 3.803 4.170 -0.228 0.000 0.245 62 I C 1.528 177.585 176.117 -0.101 0.000 1.102 62 I CA 1.378 62.632 61.300 -0.077 0.000 1.385 62 I CB -1.202 36.772 38.000 -0.043 0.000 1.064 62 I HN 0.189 nan 8.210 nan 0.000 0.414 63 D N 0.817 121.141 120.400 -0.127 0.000 2.123 63 D HA -0.183 4.320 4.640 -0.228 0.000 0.196 63 D C 2.340 178.531 176.300 -0.182 0.000 0.992 63 D CA 1.178 55.104 54.000 -0.122 0.000 0.833 63 D CB -0.256 40.503 40.800 -0.068 0.000 0.954 63 D HN 0.345 nan 8.370 nan 0.000 0.455 64 R N -0.201 120.114 120.500 -0.309 0.000 2.092 64 R HA -0.038 4.165 4.340 -0.228 0.000 0.231 64 R C 2.245 178.475 176.300 -0.116 0.000 1.119 64 R CA 0.272 56.230 56.100 -0.236 0.000 0.970 64 R CB -0.309 29.816 30.300 -0.292 0.000 0.864 64 R HN 0.117 nan 8.270 nan 0.000 0.440 65 L N 0.679 121.840 121.223 -0.103 0.000 2.017 65 L HA -0.141 4.062 4.340 -0.228 0.000 0.208 65 L C 2.018 178.865 176.870 -0.040 0.000 1.073 65 L CA 1.593 56.398 54.840 -0.059 0.000 0.745 65 L CB -0.351 41.676 42.059 -0.054 0.000 0.894 65 L HN -0.099 nan 8.230 nan 0.000 0.432 66 V N -0.234 119.651 119.914 -0.048 0.000 2.295 66 V HA -0.321 3.663 4.120 -0.228 0.000 0.246 66 V C 2.712 178.796 176.094 -0.016 0.000 1.049 66 V CA 2.275 64.554 62.300 -0.036 0.000 1.024 66 V CB -1.379 30.414 31.823 -0.049 0.000 0.648 66 V HN 0.761 nan 8.190 nan 0.000 0.447 67 T N -1.460 113.085 114.554 -0.015 0.000 2.821 67 T HA -0.073 4.140 4.350 -0.228 0.000 0.267 67 T C 1.973 176.715 174.700 0.071 0.000 1.046 67 T CA 1.462 63.574 62.100 0.019 0.000 1.139 67 T CB -0.811 68.071 68.868 0.025 0.000 0.871 67 T HN 0.471 nan 8.240 nan 0.000 0.454 68 G N 1.796 110.622 108.800 0.043 0.000 2.422 68 G HA2 -0.206 3.617 3.960 -0.228 0.000 0.218 68 G HA3 -0.206 3.617 3.960 -0.228 0.000 0.218 68 G C 1.697 176.632 174.900 0.059 0.000 1.146 68 G CA 0.649 45.781 45.100 0.053 0.000 0.769 68 G HN 0.466 nan 8.290 nan 0.000 0.547 69 N N 0.628 119.350 118.700 0.036 0.000 2.084 69 N HA -0.048 4.556 4.740 -0.228 0.000 0.190 69 N C 2.292 177.839 175.510 0.062 0.000 1.030 69 N CA 0.768 53.841 53.050 0.038 0.000 0.849 69 N CB -0.519 37.983 38.487 0.024 0.000 1.012 69 N HN 0.295 nan 8.380 nan 0.000 0.423 70 L N -0.516 120.744 121.223 0.061 0.000 2.017 70 L HA -0.150 4.053 4.340 -0.228 0.000 0.208 70 L C 2.176 179.116 176.870 0.117 0.000 1.073 70 L CA 0.961 55.839 54.840 0.063 0.000 0.745 70 L CB -0.428 41.640 42.059 0.016 0.000 0.894 70 L HN 0.070 nan 8.230 nan 0.000 0.432 71 F N 0.941 120.870 119.950 -0.036 0.000 2.171 71 F HA -0.145 4.295 4.527 -0.145 0.000 0.300 71 F C 2.459 178.237 175.800 -0.037 0.000 1.090 71 F CA 0.828 58.800 58.000 -0.047 0.000 1.293 71 F CB -0.638 38.325 39.000 -0.062 0.000 1.013 71 F HN 0.008 nan 8.300 nan 0.000 0.486 72 A N -0.821 122.093 122.820 0.156 0.000 2.070 72 A HA -0.177 4.006 4.320 -0.228 0.000 0.220 72 A C 2.010 179.606 177.584 0.019 0.000 1.159 72 A CA 2.068 54.128 52.037 0.039 0.000 0.656 72 A CB -1.303 17.701 19.000 0.007 0.000 0.800 72 A HN 0.446 nan 8.150 nan 0.000 0.453 73 T N -2.925 111.658 114.554 0.049 0.000 3.086 73 T HA 0.417 4.631 4.350 -0.228 0.000 0.250 73 T C 0.516 175.214 174.700 -0.005 0.000 1.074 73 T CA -0.337 61.770 62.100 0.011 0.000 0.988 73 T CB -0.474 68.425 68.868 0.051 0.000 0.988 73 T HN 0.253 nan 8.240 nan 0.000 0.530 74 I N 2.853 123.445 120.570 0.036 0.000 2.779 74 I HA 0.093 4.127 4.170 -0.228 0.000 0.285 74 I C 0.575 176.651 176.117 -0.068 0.000 1.134 74 I CA -0.431 60.867 61.300 -0.004 0.000 1.398 74 I CB 0.754 38.800 38.000 0.077 0.000 1.404 74 I HN 0.127 nan 8.210 nan 0.000 0.587 75 T N 6.113 120.586 114.554 -0.134 0.000 2.905 75 T HA -0.069 4.145 4.350 -0.228 0.000 0.299 75 T C 0.665 175.315 174.700 -0.082 0.000 1.024 75 T CA 0.304 62.308 62.100 -0.161 0.000 1.151 75 T CB -0.180 68.515 68.868 -0.288 0.000 0.987 75 T HN 0.710 nan 8.240 nan 0.000 0.535 76 N N 0.016 118.673 118.700 -0.072 0.000 2.782 76 N HA -0.223 4.380 4.740 -0.228 0.000 0.251 76 N C 0.782 176.368 175.510 0.126 0.000 1.101 76 N CA 0.949 54.067 53.050 0.112 0.000 0.764 76 N CB -1.367 37.171 38.487 0.085 0.000 1.122 76 N HN 0.764 nan 8.380 nan 0.000 0.561 77 A N -0.435 122.369 122.820 -0.028 0.000 1.909 77 A HA 0.160 4.344 4.320 -0.228 0.000 0.210 77 A C 0.881 178.481 177.584 0.026 0.000 1.273 77 A CA 0.937 52.993 52.037 0.032 0.000 0.654 77 A CB 0.391 19.412 19.000 0.035 0.000 0.945 77 A HN 0.250 nan 8.150 nan 0.000 0.471 78 N N -1.213 117.395 118.700 -0.153 0.000 2.519 78 N HA 0.408 5.011 4.740 -0.228 0.000 0.291 78 N C -1.615 173.760 175.510 -0.224 0.000 1.107 78 N CA -0.358 52.655 53.050 -0.061 0.000 0.904 78 N CB 1.194 39.653 38.487 -0.048 0.000 1.500 78 N HN 0.061 nan 8.380 nan 0.000 0.510 79 F N -0.051 119.909 119.950 0.016 0.000 2.654 79 F HA 0.253 4.645 4.527 -0.226 0.000 0.303 79 F C 0.820 176.490 175.800 -0.217 0.000 1.099 79 F CA -0.527 57.422 58.000 -0.085 0.000 1.270 79 F CB 0.495 39.436 39.000 -0.099 0.000 1.024 79 F HN 0.279 nan 8.300 nan 0.000 0.548 80 D N 0.934 121.323 120.400 -0.018 0.000 2.411 80 D HA 0.051 4.554 4.640 -0.228 0.000 0.225 80 D C 0.649 176.910 176.300 -0.065 0.000 1.156 80 D CA 0.130 54.080 54.000 -0.083 0.000 0.874 80 D CB 0.812 41.573 40.800 -0.066 0.000 1.034 80 D HN 0.060 nan 8.370 nan 0.000 0.502 81 D N 2.558 122.918 120.400 -0.066 0.000 2.144 81 D HA -0.148 4.355 4.640 -0.228 0.000 0.199 81 D C 1.088 177.366 176.300 -0.036 0.000 0.984 81 D CA 0.870 54.845 54.000 -0.042 0.000 0.834 81 D CB 0.300 41.078 40.800 -0.036 0.000 0.955 81 D HN 0.479 nan 8.370 nan 0.000 0.465 82 D N 0.124 120.497 120.400 -0.044 0.000 2.117 82 D HA -0.099 4.404 4.640 -0.228 0.000 0.197 82 D C 2.139 178.414 176.300 -0.041 0.000 0.987 82 D CA 0.375 54.353 54.000 -0.038 0.000 0.829 82 D CB -0.086 40.690 40.800 -0.040 0.000 0.961 82 D HN 0.154 nan 8.370 nan 0.000 0.460 83 I N 0.511 121.046 120.570 -0.057 0.000 2.252 83 I HA -0.178 3.856 4.170 -0.228 0.000 0.245 83 I C 2.456 178.547 176.117 -0.043 0.000 1.102 83 I CA 0.751 62.012 61.300 -0.066 0.000 1.385 83 I CB -0.877 37.060 38.000 -0.105 0.000 1.064 83 I HN 0.073 nan 8.210 nan 0.000 0.414 84 L N 0.644 121.846 121.223 -0.035 0.000 2.046 84 L HA -0.172 4.032 4.340 -0.228 0.000 0.208 84 L C 2.813 179.685 176.870 0.002 0.000 1.077 84 L CA 1.399 56.229 54.840 -0.016 0.000 0.747 84 L CB -0.718 41.330 42.059 -0.018 0.000 0.896 84 L HN 0.173 nan 8.230 nan 0.000 0.432 85 A N -0.184 122.637 122.820 0.001 0.000 1.933 85 A HA -0.251 3.932 4.320 -0.228 0.000 0.218 85 A C 2.203 179.793 177.584 0.010 0.000 1.175 85 A CA 1.909 53.955 52.037 0.015 0.000 0.628 85 A CB -0.445 18.561 19.000 0.010 0.000 0.814 85 A HN 0.387 nan 8.150 nan 0.000 0.444 86 E N 0.254 120.450 120.200 -0.006 0.000 2.106 86 E HA -0.129 4.085 4.350 -0.228 0.000 0.192 86 E C 2.134 178.730 176.600 -0.006 0.000 0.984 86 E CA 1.265 57.659 56.400 -0.010 0.000 0.806 86 E CB -0.260 29.428 29.700 -0.020 0.000 0.750 86 E HN 0.590 nan 8.360 nan 0.000 0.458 87 R N -0.301 120.196 120.500 -0.004 0.000 2.096 87 R HA -0.082 4.121 4.340 -0.228 0.000 0.235 87 R C 2.356 178.668 176.300 0.020 0.000 1.127 87 R CA 1.334 57.436 56.100 0.003 0.000 0.968 87 R CB -0.425 29.876 30.300 0.002 0.000 0.861 87 R HN 0.133 nan 8.270 nan 0.000 0.440 88 V N 1.164 121.101 119.914 0.038 0.000 2.295 88 V HA -0.273 3.710 4.120 -0.228 0.000 0.246 88 V C 2.374 178.492 176.094 0.039 0.000 1.049 88 V CA 1.782 64.124 62.300 0.071 0.000 1.024 88 V CB -0.500 31.391 31.823 0.113 0.000 0.648 88 V HN 0.324 nan 8.190 nan 0.000 0.447 89 R N -0.636 119.871 120.500 0.012 0.000 2.073 89 R HA -0.180 4.024 4.340 -0.228 0.000 0.234 89 R C 2.358 178.645 176.300 -0.021 0.000 1.134 89 R CA 2.009 58.099 56.100 -0.018 0.000 0.952 89 R CB -0.441 29.846 30.300 -0.022 0.000 0.850 89 R HN 0.471 nan 8.270 nan 0.000 0.433 90 M N 0.400 119.992 119.600 -0.013 0.000 2.159 90 M HA -0.147 4.197 4.480 -0.228 0.000 0.263 90 M C 1.542 177.832 176.300 -0.016 0.000 1.063 90 M CA 1.694 56.983 55.300 -0.017 0.000 1.110 90 M CB 0.027 32.617 32.600 -0.016 0.000 1.374 90 M HN 0.070 nan 8.290 nan 0.000 0.411 91 T N -0.179 114.373 114.554 -0.004 0.000 2.812 91 T HA -0.132 4.082 4.350 -0.228 0.000 0.264 91 T C 1.768 176.464 174.700 -0.006 0.000 1.042 91 T CA 1.481 63.581 62.100 -0.000 0.000 1.140 91 T CB -0.603 68.278 68.868 0.022 0.000 0.870 91 T HN 0.526 nan 8.240 nan 0.000 0.445 92 C N 1.724 121.018 119.300 -0.009 0.000 2.429 92 C HA 0.059 4.382 4.460 -0.228 0.000 0.277 92 C C 3.229 178.188 174.990 -0.052 0.000 1.262 92 C CA 0.447 59.440 59.018 -0.041 0.000 1.733 92 C CB -1.398 26.282 27.740 -0.099 0.000 2.010 92 C HN 0.656 nan 8.230 nan 0.000 0.483 93 A N 0.482 123.273 122.820 -0.047 0.000 1.877 93 A HA 0.071 4.254 4.320 -0.228 0.000 0.216 93 A C 2.369 179.931 177.584 -0.037 0.000 1.186 93 A CA 2.100 54.111 52.037 -0.045 0.000 0.620 93 A CB -0.945 18.031 19.000 -0.039 0.000 0.822 93 A HN 0.568 nan 8.150 nan 0.000 0.443 94 A N 0.892 123.693 122.820 -0.031 0.000 1.902 94 A HA -0.182 4.001 4.320 -0.228 0.000 0.217 94 A C 2.129 179.695 177.584 -0.030 0.000 1.181 94 A CA 2.044 54.064 52.037 -0.030 0.000 0.623 94 A CB -0.514 18.468 19.000 -0.029 0.000 0.818 94 A HN 0.718 nan 8.150 nan 0.000 0.443 95 K N -0.186 120.196 120.400 -0.031 0.000 2.155 95 K HA -0.073 4.110 4.320 -0.228 0.000 0.203 95 K C 1.972 178.553 176.600 -0.033 0.000 1.052 95 K CA 1.478 57.746 56.287 -0.032 0.000 0.948 95 K CB -0.247 32.235 32.500 -0.030 0.000 0.728 95 K HN 0.376 nan 8.250 nan 0.000 0.448 96 K N 1.174 121.552 120.400 -0.037 0.000 2.057 96 K HA -0.217 3.966 4.320 -0.228 0.000 0.207 96 K C 2.116 178.697 176.600 -0.032 0.000 1.049 96 K CA 1.822 58.086 56.287 -0.038 0.000 0.931 96 K CB 0.002 32.472 32.500 -0.049 0.000 0.714 96 K HN 0.158 nan 8.250 nan 0.000 0.440 97 E N 0.969 121.150 120.200 -0.030 0.000 2.051 97 E HA -0.148 4.066 4.350 -0.228 0.000 0.192 97 E C 1.947 178.533 176.600 -0.023 0.000 0.991 97 E CA 1.241 57.625 56.400 -0.025 0.000 0.799 97 E CB -0.213 29.473 29.700 -0.024 0.000 0.748 97 E HN 0.325 nan 8.360 nan 0.000 0.449 98 L N -0.205 121.003 121.223 -0.024 0.000 2.046 98 L HA -0.151 4.052 4.340 -0.228 0.000 0.208 98 L C 2.449 179.305 176.870 -0.022 0.000 1.077 98 L CA 1.149 55.976 54.840 -0.023 0.000 0.747 98 L CB -0.583 41.461 42.059 -0.026 0.000 0.896 98 L HN 0.258 nan 8.230 nan 0.000 0.432 99 A N -0.132 122.674 122.820 -0.025 0.000 1.972 99 A HA -0.173 4.011 4.320 -0.228 0.000 0.219 99 A C 2.445 180.017 177.584 -0.020 0.000 1.169 99 A CA 1.562 53.585 52.037 -0.023 0.000 0.635 99 A CB -0.567 18.418 19.000 -0.025 0.000 0.810 99 A HN 0.438 nan 8.150 nan 0.000 0.446 100 A N -1.112 121.697 122.820 -0.020 0.000 2.070 100 A HA -0.019 4.165 4.320 -0.228 0.000 0.220 100 A C 2.297 179.872 177.584 -0.014 0.000 1.159 100 A CA 1.800 53.827 52.037 -0.017 0.000 0.656 100 A CB -0.542 18.447 19.000 -0.018 0.000 0.800 100 A HN 0.410 nan 8.150 nan 0.000 0.453 101 S N -0.877 114.815 115.700 -0.014 0.000 2.496 101 S HA 0.229 4.562 4.470 -0.228 0.000 0.224 101 S C 0.643 175.236 174.600 -0.012 0.000 0.996 101 S CA -0.222 57.971 58.200 -0.012 0.000 0.927 101 S CB -0.362 62.831 63.200 -0.012 0.000 0.774 101 S HN 0.484 nan 8.310 nan 0.000 0.524 102 L N 1.433 122.648 121.223 -0.014 0.000 2.456 102 L HA 0.091 4.294 4.340 -0.228 0.000 0.272 102 L C 1.604 178.467 176.870 -0.012 0.000 1.189 102 L CA -0.066 54.766 54.840 -0.014 0.000 0.846 102 L CB 0.797 42.846 42.059 -0.016 0.000 1.111 102 L HN 0.100 nan 8.230 nan 0.000 0.475 103 T N -0.013 114.534 114.554 -0.010 0.000 2.809 103 T HA -0.089 4.125 4.350 -0.228 0.000 0.260 103 T C 0.246 174.941 174.700 -0.009 0.000 1.039 103 T CA 0.876 62.971 62.100 -0.009 0.000 1.141 103 T CB -0.054 68.810 68.868 -0.007 0.000 0.869 103 T HN 0.539 nan 8.240 nan 0.000 0.437 104 D N 0.487 120.881 120.400 -0.010 0.000 2.349 104 D HA 0.340 4.843 4.640 -0.228 0.000 0.232 104 D C 0.071 176.364 176.300 -0.013 0.000 1.071 104 D CA -0.399 53.595 54.000 -0.011 0.000 0.832 104 D CB 1.349 42.143 40.800 -0.010 0.000 1.086 104 D HN -0.113 nan 8.370 nan 0.000 0.504 105 K N 0.851 121.244 120.400 -0.012 0.000 2.374 105 K HA 0.223 4.406 4.320 -0.228 0.000 0.196 105 K C 0.244 176.837 176.600 -0.012 0.000 1.023 105 K CA -0.173 56.106 56.287 -0.013 0.000 1.103 105 K CB 0.461 32.955 32.500 -0.011 0.000 0.848 105 K HN 0.215 nan 8.250 nan 0.000 0.528 106 S N 0.474 116.167 115.700 -0.011 0.000 2.558 106 S HA 0.234 4.567 4.470 -0.228 0.000 0.288 106 S C 1.354 175.945 174.600 -0.014 0.000 1.318 106 S CA 0.718 58.912 58.200 -0.010 0.000 1.056 106 S CB 0.639 63.833 63.200 -0.010 0.000 0.853 106 S HN 0.618 nan 8.310 nan 0.000 0.505 107 G N 1.660 110.453 108.800 -0.013 0.000 2.184 107 G HA2 -0.241 3.582 3.960 -0.228 0.000 0.264 107 G HA3 -0.241 3.582 3.960 -0.228 0.000 0.264 107 G C 0.060 174.947 174.900 -0.022 0.000 0.975 107 G CA -0.138 44.952 45.100 -0.017 0.000 0.642 107 G HN 0.604 nan 8.290 nan 0.000 0.536 108 L N 2.125 123.336 121.223 -0.020 0.000 2.499 108 L HA 0.354 4.558 4.340 -0.228 0.000 0.273 108 L C 1.630 178.487 176.870 -0.022 0.000 1.195 108 L CA 0.343 55.167 54.840 -0.026 0.000 0.882 108 L CB 0.727 42.773 42.059 -0.022 0.000 1.133 108 L HN 0.512 nan 8.230 nan 0.000 0.483 109 S N 0.566 116.242 115.700 -0.039 0.000 2.608 109 S HA -0.024 4.309 4.470 -0.228 0.000 0.261 109 S C 0.745 175.340 174.600 -0.009 0.000 1.314 109 S CA -0.336 57.842 58.200 -0.036 0.000 0.992 109 S CB 1.189 64.340 63.200 -0.083 0.000 0.935 109 S HN 0.745 nan 8.310 nan 0.000 0.564 110 D N 1.272 121.691 120.400 0.031 0.000 2.149 110 D HA -0.116 4.387 4.640 -0.228 0.000 0.198 110 D C 2.026 178.381 176.300 0.092 0.000 0.990 110 D CA 1.730 55.798 54.000 0.113 0.000 0.839 110 D CB -0.522 40.385 40.800 0.178 0.000 0.948 110 D HN 0.698 nan 8.370 nan 0.000 0.460 111 A N 0.372 123.074 122.820 -0.198 0.000 1.940 111 A HA -0.012 4.172 4.320 -0.228 0.000 0.219 111 A C 2.373 179.845 177.584 -0.186 0.000 1.176 111 A CA 2.135 53.814 52.037 -0.596 0.000 0.631 111 A CB -1.056 17.309 19.000 -1.058 0.000 0.814 111 A HN 0.345 nan 8.150 nan 0.000 0.446 112 A N -0.683 122.066 122.820 -0.118 0.000 1.930 112 A HA 0.062 4.246 4.320 -0.228 0.000 0.217 112 A C 2.101 179.686 177.584 0.002 0.000 1.175 112 A CA 1.474 53.477 52.037 -0.058 0.000 0.627 112 A CB -0.392 18.573 19.000 -0.059 0.000 0.815 112 A HN 0.472 nan 8.150 nan 0.000 0.443 113 L N -3.181 118.070 121.223 0.047 0.000 2.298 113 L HA 0.094 4.297 4.340 -0.228 0.000 0.209 113 L C 1.163 178.098 176.870 0.108 0.000 1.084 113 L CA -0.432 54.445 54.840 0.062 0.000 0.816 113 L CB -0.191 41.906 42.059 0.065 0.000 0.967 113 L HN 0.623 nan 8.230 nan 0.000 0.460 114 W N 3.348 124.661 121.300 0.022 0.000 2.181 114 W HA 0.208 4.731 4.660 -0.229 0.000 0.335 114 W C 0.374 176.920 176.519 0.045 0.000 1.310 114 W CA -0.095 57.285 57.345 0.058 0.000 1.226 114 W CB 0.447 29.993 29.460 0.143 0.000 1.155 114 W HN 0.070 nan 8.180 nan 0.000 0.565 115 E N 4.171 123.696 120.200 -1.125 0.000 2.413 115 E HA 0.838 5.051 4.350 -0.228 0.000 0.277 115 E C -1.777 173.974 176.600 -1.415 0.000 0.958 115 E CA -1.344 54.392 56.400 -1.108 0.000 0.779 115 E CB 1.663 31.082 29.700 -0.469 0.000 1.278 115 E HN 0.577 nan 8.360 nan 0.000 0.456 116 A N 0.621 122.870 122.820 -0.953 0.000 2.589 116 A HA 0.549 4.732 4.320 -0.228 0.000 0.296 116 A C -0.122 177.323 177.584 -0.232 0.000 1.062 116 A CA -0.155 51.589 52.037 -0.489 0.000 0.686 116 A CB 1.681 20.504 19.000 -0.295 0.000 1.282 116 A HN 0.804 nan 8.150 nan 0.000 0.404 117 S N -0.040 115.579 115.700 -0.135 0.000 2.514 117 S HA 0.187 4.520 4.470 -0.228 0.000 0.223 117 S C 0.182 174.763 174.600 -0.032 0.000 1.046 117 S CA 0.052 58.208 58.200 -0.074 0.000 0.914 117 S CB 0.027 63.186 63.200 -0.069 0.000 0.807 117 S HN 0.630 nan 8.310 nan 0.000 0.497 118 E N 2.119 122.307 120.200 -0.019 0.000 2.259 118 E HA 0.239 4.453 4.350 -0.228 0.000 0.281 118 E C 0.462 177.082 176.600 0.033 0.000 1.027 118 E CA -0.205 56.198 56.400 0.006 0.000 0.838 118 E CB 1.649 31.354 29.700 0.009 0.000 1.066 118 E HN 0.349 nan 8.360 nan 0.000 0.401 119 K N 2.130 122.547 120.400 0.029 0.000 2.063 119 K HA -0.202 3.981 4.320 -0.228 0.000 0.208 119 K C 1.820 178.451 176.600 0.052 0.000 1.048 119 K CA 1.856 58.167 56.287 0.041 0.000 0.928 119 K CB 0.036 32.550 32.500 0.023 0.000 0.713 119 K HN 0.459 nan 8.250 nan 0.000 0.442 120 S N 0.273 115.997 115.700 0.041 0.000 2.383 120 S HA -0.179 4.154 4.470 -0.228 0.000 0.229 120 S C 2.177 176.818 174.600 0.068 0.000 1.030 120 S CA 1.128 59.354 58.200 0.042 0.000 1.002 120 S CB -0.511 62.707 63.200 0.030 0.000 0.829 120 S HN 0.412 nan 8.310 nan 0.000 0.467 121 A N 1.774 124.651 122.820 0.096 0.000 1.968 121 A HA 0.188 4.371 4.320 -0.228 0.000 0.217 121 A C 2.326 180.068 177.584 0.262 0.000 1.169 121 A CA 1.379 53.515 52.037 0.165 0.000 0.638 121 A CB -0.702 18.394 19.000 0.159 0.000 0.812 121 A HN 0.594 nan 8.150 nan 0.000 0.446 122 M N -0.515 119.229 119.600 0.240 0.000 2.132 122 M HA -0.077 4.266 4.480 -0.228 0.000 0.263 122 M C 2.037 178.398 176.300 0.102 0.000 1.065 122 M CA 1.324 56.784 55.300 0.266 0.000 1.122 122 M CB -0.538 32.185 32.600 0.205 0.000 1.365 122 M HN 0.342 nan 8.290 nan 0.000 0.411 123 L N -0.098 121.164 121.223 0.065 0.000 2.046 123 L HA -0.158 4.045 4.340 -0.228 0.000 0.208 123 L C 2.899 179.761 176.870 -0.013 0.000 1.077 123 L CA 1.158 56.008 54.840 0.016 0.000 0.747 123 L CB -0.981 41.087 42.059 0.016 0.000 0.896 123 L HN 0.306 nan 8.230 nan 0.000 0.432 124 A N 0.240 123.064 122.820 0.007 0.000 1.877 124 A HA -0.254 3.929 4.320 -0.228 0.000 0.216 124 A C 2.318 179.848 177.584 -0.089 0.000 1.186 124 A CA 2.028 54.053 52.037 -0.020 0.000 0.620 124 A CB -0.413 18.598 19.000 0.017 0.000 0.822 124 A HN 0.226 nan 8.150 nan 0.000 0.443 125 K N 0.264 120.589 120.400 -0.124 0.000 2.057 125 K HA -0.001 4.183 4.320 -0.228 0.000 0.207 125 K C 1.988 178.355 176.600 -0.388 0.000 1.049 125 K CA 1.640 57.699 56.287 -0.380 0.000 0.931 125 K CB -0.658 31.367 32.500 -0.792 0.000 0.714 125 K HN 0.326 nan 8.250 nan 0.000 0.440 126 A N 0.204 122.873 122.820 -0.252 0.000 1.948 126 A HA -0.122 4.061 4.320 -0.228 0.000 0.220 126 A C 2.399 179.873 177.584 -0.182 0.000 1.177 126 A CA 2.077 53.994 52.037 -0.200 0.000 0.636 126 A CB -1.506 17.436 19.000 -0.096 0.000 0.815 126 A HN 0.499 nan 8.150 nan 0.000 0.449 127 G N -1.031 107.681 108.800 -0.147 0.000 2.479 127 G HA2 -0.124 3.700 3.960 -0.228 0.000 0.220 127 G HA3 -0.124 3.700 3.960 -0.228 0.000 0.220 127 G C 1.316 176.128 174.900 -0.147 0.000 1.115 127 G CA 1.826 46.854 45.100 -0.120 0.000 0.757 127 G HN 0.853 nan 8.290 nan 0.000 0.560 128 T N -2.454 111.974 114.554 -0.209 0.000 3.132 128 T HA 0.317 4.531 4.350 -0.228 0.000 0.274 128 T C 1.042 175.570 174.700 -0.287 0.000 1.011 128 T CA 0.510 62.481 62.100 -0.216 0.000 0.899 128 T CB 0.707 69.453 68.868 -0.204 0.000 1.089 128 T HN 0.563 nan 8.240 nan 0.000 0.543 129 V N -2.492 117.219 119.914 -0.338 0.000 3.199 129 V HA 0.710 4.694 4.120 -0.228 0.000 0.331 129 V C 0.829 176.847 176.094 -0.128 0.000 1.446 129 V CA -0.240 61.822 62.300 -0.398 0.000 1.120 129 V CB -0.194 31.027 31.823 -1.003 0.000 1.051 129 V HN 0.368 nan 8.190 nan 0.000 0.495 130 G N 0.448 109.186 108.800 -0.103 0.000 2.508 130 G HA2 0.380 4.204 3.960 -0.228 0.000 0.278 130 G HA3 0.380 4.204 3.960 -0.228 0.000 0.278 130 G C 0.888 175.742 174.900 -0.076 0.000 1.389 130 G CA 0.336 45.392 45.100 -0.072 0.000 1.050 130 G HN 0.098 nan 8.290 nan 0.000 0.522 131 V N 0.565 120.260 119.914 -0.366 0.000 2.324 131 V HA -0.195 3.789 4.120 -0.228 0.000 0.250 131 V C 2.841 178.743 176.094 -0.320 0.000 1.060 131 V CA 1.689 63.605 62.300 -0.640 0.000 1.042 131 V CB -0.441 30.807 31.823 -0.958 0.000 0.650 131 V HN 0.484 nan 8.190 nan 0.000 0.450 132 M N -0.401 118.971 119.600 -0.381 0.000 2.630 132 M HA 0.030 4.374 4.480 -0.228 0.000 0.254 132 M C 2.208 178.425 176.300 -0.138 0.000 1.092 132 M CA 1.262 56.377 55.300 -0.309 0.000 1.087 132 M CB -1.459 30.926 32.600 -0.359 0.000 1.453 132 M HN 0.419 nan 8.290 nan 0.000 0.509 133 A N 0.037 122.818 122.820 -0.066 0.000 2.019 133 A HA -0.051 4.132 4.320 -0.228 0.000 0.219 133 A C 1.177 178.767 177.584 0.011 0.000 1.164 133 A CA 1.122 53.144 52.037 -0.026 0.000 0.644 133 A CB -0.610 18.388 19.000 -0.003 0.000 0.805 133 A HN 0.397 nan 8.150 nan 0.000 0.449 134 T N 0.536 115.124 114.554 0.057 0.000 2.728 134 T HA 0.339 4.552 4.350 -0.228 0.000 0.296 134 T C 1.551 176.263 174.700 0.020 0.000 0.940 134 T CA 0.315 62.450 62.100 0.058 0.000 1.013 134 T CB 1.376 70.319 68.868 0.124 0.000 0.912 134 T HN 0.555 nan 8.240 nan 0.000 0.484 135 T N 0.851 115.407 114.554 0.003 0.000 2.732 135 T HA -0.076 4.138 4.350 -0.228 0.000 0.261 135 T C 0.760 175.463 174.700 0.004 0.000 1.040 135 T CA 0.449 62.543 62.100 -0.010 0.000 1.145 135 T CB -0.513 68.348 68.868 -0.012 0.000 0.866 135 T HN 0.553 nan 8.240 nan 0.000 0.427 136 D N 1.688 122.097 120.400 0.016 0.000 2.450 136 D HA 0.085 4.589 4.640 -0.228 0.000 0.247 136 D C 0.512 176.838 176.300 0.043 0.000 1.162 136 D CA -0.056 53.958 54.000 0.023 0.000 0.879 136 D CB 0.597 41.408 40.800 0.020 0.000 1.163 136 D HN 0.088 nan 8.370 nan 0.000 0.472 137 D N 2.693 123.119 120.400 0.044 0.000 2.104 137 D HA -0.151 4.352 4.640 -0.228 0.000 0.194 137 D C 1.061 177.410 176.300 0.082 0.000 0.994 137 D CA 1.107 55.147 54.000 0.067 0.000 0.830 137 D CB 0.068 40.902 40.800 0.057 0.000 0.959 137 D HN 0.505 nan 8.370 nan 0.000 0.452 138 D N -0.364 120.071 120.400 0.059 0.000 2.137 138 D HA -0.047 4.456 4.640 -0.228 0.000 0.202 138 D C 2.327 178.659 176.300 0.053 0.000 0.970 138 D CA 0.303 54.337 54.000 0.056 0.000 0.837 138 D CB -0.331 40.493 40.800 0.039 0.000 0.981 138 D HN 0.045 nan 8.370 nan 0.000 0.475 139 V N 1.228 121.166 119.914 0.039 0.000 2.332 139 V HA -0.242 3.742 4.120 -0.228 0.000 0.248 139 V C 2.581 178.701 176.094 0.042 0.000 1.055 139 V CA 1.680 63.993 62.300 0.021 0.000 1.038 139 V CB -0.437 31.390 31.823 0.008 0.000 0.651 139 V HN 0.124 nan 8.190 nan 0.000 0.450 140 R N 0.012 120.572 120.500 0.100 0.000 2.080 140 R HA -0.199 4.004 4.340 -0.228 0.000 0.236 140 R C 2.661 179.140 176.300 0.298 0.000 1.137 140 R CA 2.019 58.250 56.100 0.219 0.000 0.943 140 R CB -0.569 29.864 30.300 0.222 0.000 0.846 140 R HN 0.477 nan 8.270 nan 0.000 0.431 141 S N 0.191 116.031 115.700 0.234 0.000 2.359 141 S HA -0.129 4.204 4.470 -0.228 0.000 0.224 141 S C 1.978 176.669 174.600 0.151 0.000 1.035 141 S CA 1.473 59.818 58.200 0.242 0.000 1.018 141 S CB -0.229 63.075 63.200 0.174 0.000 0.876 141 S HN 0.386 nan 8.310 nan 0.000 0.448 142 L N 0.550 121.813 121.223 0.066 0.000 2.072 142 L HA 0.011 4.214 4.340 -0.228 0.000 0.205 142 L C 2.944 179.751 176.870 -0.105 0.000 1.079 142 L CA 1.187 56.025 54.840 -0.003 0.000 0.752 142 L CB -0.444 41.610 42.059 -0.008 0.000 0.906 142 L HN 0.243 nan 8.230 nan 0.000 0.436 143 R N -0.785 119.617 120.500 -0.164 0.000 2.091 143 R HA -0.207 3.997 4.340 -0.228 0.000 0.238 143 R C 2.100 178.005 176.300 -0.659 0.000 1.136 143 R CA 2.157 58.012 56.100 -0.408 0.000 0.959 143 R CB -0.370 29.633 30.300 -0.495 0.000 0.856 143 R HN 0.368 nan 8.270 nan 0.000 0.437 144 W N -0.020 121.103 121.300 -0.295 0.000 2.476 144 W HA -0.014 4.503 4.660 -0.238 0.000 0.281 144 W C 1.917 177.831 176.519 -1.008 0.000 1.230 144 W CA -0.198 56.722 57.345 -0.709 0.000 1.287 144 W CB -0.356 28.838 29.460 -0.443 0.000 1.108 144 W HN 0.075 nan 8.180 nan 0.000 0.567 145 L N 0.727 121.764 121.223 -0.310 0.000 2.012 145 L HA -0.183 4.021 4.340 -0.228 0.000 0.210 145 L C 1.963 178.713 176.870 -0.201 0.000 1.073 145 L CA 1.960 56.696 54.840 -0.174 0.000 0.748 145 L CB -0.962 41.135 42.059 0.064 0.000 0.891 145 L HN 0.020 nan 8.230 nan 0.000 0.431 146 I N -1.098 119.342 120.570 -0.216 0.000 2.179 146 I HA -0.306 3.728 4.170 -0.228 0.000 0.242 146 I C 2.252 178.230 176.117 -0.232 0.000 1.088 146 I CA 1.735 62.928 61.300 -0.179 0.000 1.357 146 I CB -0.740 37.153 38.000 -0.178 0.000 1.051 146 I HN 0.271 nan 8.210 nan 0.000 0.409 147 T N 1.039 115.348 114.554 -0.407 0.000 2.684 147 T HA -0.162 4.051 4.350 -0.228 0.000 0.267 147 T C 1.643 176.269 174.700 -0.124 0.000 1.036 147 T CA 1.561 63.445 62.100 -0.360 0.000 1.148 147 T CB -0.322 68.195 68.868 -0.584 0.000 0.863 147 T HN 0.098 nan 8.240 nan 0.000 0.436 148 F N 1.561 121.447 119.950 -0.106 0.000 2.134 148 F HA 0.126 4.517 4.527 -0.228 0.000 0.299 148 F C 2.733 178.468 175.800 -0.108 0.000 1.097 148 F CA 0.312 58.232 58.000 -0.133 0.000 1.264 148 F CB -1.594 37.219 39.000 -0.312 0.000 1.001 148 F HN 0.225 nan 8.300 nan 0.000 0.479 149 G N 0.383 109.222 108.800 0.064 0.000 2.440 149 G HA2 -0.216 3.607 3.960 -0.228 0.000 0.218 149 G HA3 -0.216 3.607 3.960 -0.228 0.000 0.218 149 G C 1.852 176.764 174.900 0.019 0.000 1.154 149 G CA 0.839 45.962 45.100 0.039 0.000 0.767 149 G HN 0.344 nan 8.290 nan 0.000 0.552 150 L N -0.120 121.102 121.223 -0.002 0.000 2.083 150 L HA -0.049 4.155 4.340 -0.228 0.000 0.209 150 L C 2.969 179.813 176.870 -0.043 0.000 1.083 150 L CA 1.153 55.982 54.840 -0.018 0.000 0.752 150 L CB -0.273 41.740 42.059 -0.076 0.000 0.899 150 L HN 0.191 nan 8.230 nan 0.000 0.433 151 K N 0.023 120.407 120.400 -0.028 0.000 2.026 151 K HA -0.127 4.056 4.320 -0.228 0.000 0.208 151 K C 2.167 178.642 176.600 -0.210 0.000 1.048 151 K CA 1.416 57.661 56.287 -0.071 0.000 0.929 151 K CB -0.537 31.965 32.500 0.003 0.000 0.713 151 K HN 0.394 nan 8.250 nan 0.000 0.439 152 G N 1.549 110.228 108.800 -0.202 0.000 2.418 152 G HA2 -0.283 3.540 3.960 -0.228 0.000 0.217 152 G HA3 -0.283 3.540 3.960 -0.228 0.000 0.217 152 G C 1.462 176.081 174.900 -0.468 0.000 1.158 152 G CA 0.762 45.629 45.100 -0.388 0.000 0.771 152 G HN 0.193 nan 8.290 nan 0.000 0.545 153 M N 0.839 120.329 119.600 -0.184 0.000 2.080 153 M HA -0.040 4.303 4.480 -0.228 0.000 0.260 153 M C 2.788 179.052 176.300 -0.060 0.000 1.068 153 M CA 1.885 57.163 55.300 -0.037 0.000 1.109 153 M CB -0.141 32.506 32.600 0.078 0.000 1.342 153 M HN 0.287 nan 8.290 nan 0.000 0.405 154 A N 0.143 122.896 122.820 -0.111 0.000 1.933 154 A HA -0.056 4.127 4.320 -0.228 0.000 0.218 154 A C 2.289 179.757 177.584 -0.194 0.000 1.175 154 A CA 1.861 53.840 52.037 -0.096 0.000 0.628 154 A CB -1.122 17.828 19.000 -0.083 0.000 0.814 154 A HN 0.675 nan 8.150 nan 0.000 0.444 155 A N -0.975 121.545 122.820 -0.500 0.000 1.883 155 A HA -0.098 4.085 4.320 -0.228 0.000 0.217 155 A C 2.096 179.557 177.584 -0.205 0.000 1.186 155 A CA 1.718 53.231 52.037 -0.874 0.000 0.624 155 A CB -0.834 17.271 19.000 -1.491 0.000 0.822 155 A HN 0.553 nan 8.150 nan 0.000 0.444 156 Y N -0.206 120.049 120.300 -0.074 0.000 2.200 156 Y HA -0.022 4.474 4.550 -0.090 0.000 0.290 156 Y C 2.973 178.936 175.900 0.105 0.000 1.137 156 Y CA 0.177 58.331 58.100 0.090 0.000 1.163 156 Y CB -1.275 37.223 38.460 0.063 0.000 0.988 156 Y HN 0.328 nan 8.280 nan 0.000 0.518 157 A N 0.040 122.987 122.820 0.212 0.000 1.940 157 A HA -0.246 3.937 4.320 -0.228 0.000 0.219 157 A C 2.337 180.017 177.584 0.160 0.000 1.176 157 A CA 1.997 54.138 52.037 0.173 0.000 0.631 157 A CB -0.649 18.433 19.000 0.138 0.000 0.814 157 A HN 0.420 nan 8.150 nan 0.000 0.446 158 K N -1.409 119.056 120.400 0.107 0.000 2.057 158 K HA -0.165 4.019 4.320 -0.228 0.000 0.206 158 K C 1.989 178.646 176.600 0.094 0.000 1.050 158 K CA 1.267 57.603 56.287 0.082 0.000 0.935 158 K CB -0.247 32.302 32.500 0.082 0.000 0.715 158 K HN 0.621 nan 8.250 nan 0.000 0.439 159 H N -0.217 118.998 119.070 0.242 0.000 2.387 159 H HA -0.072 4.323 4.556 -0.269 0.000 0.299 159 H C 1.980 177.416 175.328 0.180 0.000 1.090 159 H CA 1.415 57.599 56.048 0.227 0.000 1.332 159 H CB -0.142 29.773 29.762 0.255 0.000 1.386 159 H HN 0.333 nan 8.280 nan 0.000 0.516 160 A N 0.947 123.933 122.820 0.277 0.000 1.902 160 A HA -0.202 3.981 4.320 -0.228 0.000 0.217 160 A C 2.263 179.958 177.584 0.186 0.000 1.181 160 A CA 1.913 54.068 52.037 0.196 0.000 0.623 160 A CB -0.479 18.618 19.000 0.161 0.000 0.818 160 A HN 0.383 nan 8.150 nan 0.000 0.443 161 D N -0.471 120.050 120.400 0.202 0.000 2.117 161 D HA -0.118 4.385 4.640 -0.228 0.000 0.197 161 D C 1.735 178.143 176.300 0.180 0.000 0.987 161 D CA 1.412 55.543 54.000 0.219 0.000 0.829 161 D CB -0.160 40.769 40.800 0.215 0.000 0.961 161 D HN 0.120 nan 8.370 nan 0.000 0.460 162 V N 0.304 120.316 119.914 0.163 0.000 2.469 162 V HA -0.192 3.792 4.120 -0.228 0.000 0.251 162 V C 2.168 178.350 176.094 0.147 0.000 1.064 162 V CA 1.226 63.616 62.300 0.151 0.000 1.066 162 V CB -0.360 31.570 31.823 0.179 0.000 0.667 162 V HN 0.337 nan 8.190 nan 0.000 0.461 163 L N -0.139 121.174 121.223 0.149 0.000 2.629 163 L HA 0.353 4.556 4.340 -0.228 0.000 0.230 163 L C 1.559 178.474 176.870 0.075 0.000 1.151 163 L CA 0.756 55.657 54.840 0.101 0.000 0.924 163 L CB -0.069 42.042 42.059 0.088 0.000 1.137 163 L HN 0.502 nan 8.230 nan 0.000 0.457 164 G N 0.117 108.984 108.800 0.111 0.000 2.157 164 G HA2 -0.236 3.587 3.960 -0.228 0.000 0.239 164 G HA3 -0.236 3.587 3.960 -0.228 0.000 0.239 164 G C 0.157 175.121 174.900 0.107 0.000 0.982 164 G CA -0.321 44.844 45.100 0.109 0.000 0.650 164 G HN 0.329 nan 8.290 nan 0.000 0.527 165 K N 1.234 121.706 120.400 0.120 0.000 2.323 165 K HA 0.582 4.766 4.320 -0.228 0.000 0.259 165 K C -0.362 176.331 176.600 0.154 0.000 0.947 165 K CA -0.752 55.577 56.287 0.069 0.000 0.819 165 K CB 1.501 34.027 32.500 0.044 0.000 1.109 165 K HN 0.645 nan 8.250 nan 0.000 0.429 166 H N 0.606 119.668 119.070 -0.012 0.000 3.046 166 H HA 0.397 4.815 4.556 -0.230 0.000 0.363 166 H C -1.393 173.918 175.328 -0.029 0.000 1.203 166 H CA -0.898 55.142 56.048 -0.013 0.000 1.169 166 H CB 1.781 31.487 29.762 -0.093 0.000 1.851 166 H HN 0.503 nan 8.280 nan 0.000 0.546 167 E N 1.583 121.833 120.200 0.084 0.000 2.199 167 E HA 0.071 4.285 4.350 -0.228 0.000 0.265 167 E C 0.245 176.913 176.600 0.113 0.000 0.882 167 E CA -0.695 55.729 56.400 0.040 0.000 0.759 167 E CB 2.403 32.141 29.700 0.064 0.000 1.148 167 E HN 0.680 nan 8.360 nan 0.000 0.412 168 N N 1.529 120.281 118.700 0.086 0.000 2.137 168 N HA -0.222 4.381 4.740 -0.228 0.000 0.190 168 N C 1.689 177.266 175.510 0.112 0.000 1.017 168 N CA 2.199 55.313 53.050 0.107 0.000 0.859 168 N CB 0.159 38.690 38.487 0.073 0.000 1.002 168 N HN 0.417 nan 8.380 nan 0.000 0.428 169 S N -0.489 115.287 115.700 0.126 0.000 2.399 169 S HA -0.129 4.204 4.470 -0.228 0.000 0.231 169 S C 1.891 176.615 174.600 0.207 0.000 1.022 169 S CA 0.809 59.115 58.200 0.176 0.000 0.983 169 S CB -0.548 62.787 63.200 0.225 0.000 0.803 169 S HN 0.327 nan 8.310 nan 0.000 0.480 170 L N 2.456 123.811 121.223 0.220 0.000 2.023 170 L HA 0.029 4.232 4.340 -0.228 0.000 0.205 170 L C 1.901 178.851 176.870 0.133 0.000 1.073 170 L CA 1.984 56.962 54.840 0.230 0.000 0.745 170 L CB -0.957 41.245 42.059 0.239 0.000 0.900 170 L HN 0.167 nan 8.230 nan 0.000 0.435 171 D N -0.112 120.364 120.400 0.127 0.000 2.117 171 D HA -0.174 4.329 4.640 -0.228 0.000 0.197 171 D C 2.072 178.382 176.300 0.017 0.000 0.987 171 D CA 1.501 55.551 54.000 0.084 0.000 0.829 171 D CB 0.037 40.916 40.800 0.132 0.000 0.961 171 D HN 0.503 nan 8.370 nan 0.000 0.460 172 A N 0.975 123.810 122.820 0.026 0.000 1.902 172 A HA -0.190 3.993 4.320 -0.228 0.000 0.217 172 A C 2.059 179.582 177.584 -0.102 0.000 1.181 172 A CA 1.042 53.067 52.037 -0.021 0.000 0.623 172 A CB -0.987 18.023 19.000 0.016 0.000 0.818 172 A HN 0.246 nan 8.150 nan 0.000 0.443 173 F N 0.311 120.089 119.950 -0.286 0.000 2.102 173 F HA -0.187 4.199 4.527 -0.236 0.000 0.298 173 F C 2.307 177.900 175.800 -0.345 0.000 1.105 173 F CA 2.104 59.804 58.000 -0.500 0.000 1.239 173 F CB -0.336 37.894 39.000 -1.283 0.000 0.991 173 F HN 0.155 nan 8.300 nan 0.000 0.474 174 M N -0.137 119.265 119.600 -0.330 0.000 2.108 174 M HA -0.284 4.059 4.480 -0.228 0.000 0.261 174 M C 2.210 178.293 176.300 -0.362 0.000 1.066 174 M CA 1.996 57.097 55.300 -0.331 0.000 1.107 174 M CB -0.616 31.928 32.600 -0.094 0.000 1.356 174 M HN 0.281 nan 8.290 nan 0.000 0.406 175 Q N -0.413 119.230 119.800 -0.262 0.000 2.123 175 Q HA -0.185 4.019 4.340 -0.228 0.000 0.199 175 Q C 1.959 177.803 176.000 -0.260 0.000 0.966 175 Q CA 1.328 57.004 55.803 -0.212 0.000 0.845 175 Q CB -0.120 28.538 28.738 -0.132 0.000 0.907 175 Q HN 0.538 nan 8.270 nan 0.000 0.439 176 E N 0.484 120.492 120.200 -0.320 0.000 2.072 176 E HA -0.177 4.036 4.350 -0.228 0.000 0.191 176 E C 1.892 178.259 176.600 -0.388 0.000 0.985 176 E CA 0.916 57.134 56.400 -0.304 0.000 0.801 176 E CB -0.035 29.506 29.700 -0.264 0.000 0.750 176 E HN 0.327 nan 8.360 nan 0.000 0.452 177 A N 1.190 123.624 122.820 -0.643 0.000 1.898 177 A HA -0.131 4.052 4.320 -0.228 0.000 0.216 177 A C 2.217 179.564 177.584 -0.394 0.000 1.181 177 A CA 0.994 52.665 52.037 -0.610 0.000 0.620 177 A CB -0.675 17.727 19.000 -0.996 0.000 0.819 177 A HN 0.308 nan 8.150 nan 0.000 0.442 178 L N -0.701 120.305 121.223 -0.361 0.000 2.012 178 L HA -0.264 3.940 4.340 -0.228 0.000 0.210 178 L C 3.121 179.841 176.870 -0.250 0.000 1.073 178 L CA 1.290 55.963 54.840 -0.279 0.000 0.748 178 L CB -0.541 41.381 42.059 -0.227 0.000 0.891 178 L HN 0.456 nan 8.230 nan 0.000 0.431 179 A N -0.192 122.490 122.820 -0.230 0.000 1.902 179 A HA -0.222 3.961 4.320 -0.228 0.000 0.217 179 A C 2.294 179.769 177.584 -0.183 0.000 1.181 179 A CA 1.663 53.584 52.037 -0.192 0.000 0.623 179 A CB -0.372 18.530 19.000 -0.164 0.000 0.818 179 A HN 0.322 nan 8.150 nan 0.000 0.443 180 K N -0.426 119.857 120.400 -0.195 0.000 2.152 180 K HA -0.128 4.055 4.320 -0.228 0.000 0.206 180 K C 2.014 178.510 176.600 -0.174 0.000 1.048 180 K CA 1.697 57.885 56.287 -0.165 0.000 0.933 180 K CB -0.406 31.999 32.500 -0.159 0.000 0.721 180 K HN 0.747 nan 8.250 nan 0.000 0.447 181 T N -1.032 113.387 114.554 -0.226 0.000 3.098 181 T HA -0.025 4.188 4.350 -0.228 0.000 0.266 181 T C 1.436 175.998 174.700 -0.231 0.000 1.145 181 T CA 0.689 62.629 62.100 -0.267 0.000 1.092 181 T CB -0.077 68.555 68.868 -0.393 0.000 0.908 181 T HN 0.109 nan 8.240 nan 0.000 0.526 182 L N 0.351 121.466 121.223 -0.180 0.000 2.693 182 L HA 0.352 4.555 4.340 -0.228 0.000 0.235 182 L C 0.507 177.322 176.870 -0.092 0.000 1.127 182 L CA -0.285 54.479 54.840 -0.126 0.000 0.914 182 L CB 0.224 42.205 42.059 -0.130 0.000 1.193 182 L HN 0.158 nan 8.230 nan 0.000 0.502 183 D N 0.737 121.079 120.400 -0.097 0.000 2.365 183 D HA 0.014 4.517 4.640 -0.228 0.000 0.237 183 D C 0.551 176.817 176.300 -0.057 0.000 1.190 183 D CA -0.013 53.944 54.000 -0.072 0.000 0.867 183 D CB 1.079 41.834 40.800 -0.075 0.000 1.050 183 D HN 0.007 nan 8.370 nan 0.000 0.491 184 D N 1.484 121.859 120.400 -0.041 0.000 2.348 184 D HA -0.136 4.367 4.640 -0.228 0.000 0.216 184 D C 1.757 178.042 176.300 -0.026 0.000 0.970 184 D CA 0.555 54.536 54.000 -0.030 0.000 0.889 184 D CB 0.159 40.948 40.800 -0.019 0.000 0.912 184 D HN 0.458 nan 8.370 nan 0.000 0.524 185 S N -0.372 115.312 115.700 -0.028 0.000 2.527 185 S HA 0.007 4.341 4.470 -0.228 0.000 0.222 185 S C 1.019 175.606 174.600 -0.022 0.000 0.985 185 S CA -0.208 57.978 58.200 -0.022 0.000 0.921 185 S CB -0.216 62.972 63.200 -0.021 0.000 0.772 185 S HN 0.114 nan 8.310 nan 0.000 0.529 186 L N 3.462 124.667 121.223 -0.030 0.000 2.416 186 L HA 0.296 4.499 4.340 -0.228 0.000 0.272 186 L C 0.920 177.778 176.870 -0.020 0.000 1.161 186 L CA -0.563 54.260 54.840 -0.027 0.000 0.845 186 L CB 0.761 42.796 42.059 -0.040 0.000 1.119 186 L HN 0.361 nan 8.230 nan 0.000 0.464 187 S N 1.932 117.624 115.700 -0.013 0.000 2.655 187 S HA 0.215 4.549 4.470 -0.228 0.000 0.265 187 S C 1.152 175.749 174.600 -0.005 0.000 1.240 187 S CA -0.947 57.249 58.200 -0.007 0.000 0.986 187 S CB 1.558 64.757 63.200 -0.002 0.000 0.985 187 S HN 0.324 nan 8.310 nan 0.000 0.562 188 V N 1.473 121.387 119.914 0.001 0.000 2.332 188 V HA -0.186 3.797 4.120 -0.228 0.000 0.248 188 V C 2.991 179.091 176.094 0.009 0.000 1.055 188 V CA 2.405 64.709 62.300 0.006 0.000 1.038 188 V CB -1.806 30.024 31.823 0.011 0.000 0.651 188 V HN 1.007 nan 8.190 nan 0.000 0.450 189 A N -0.203 122.622 122.820 0.010 0.000 1.908 189 A HA -0.266 3.917 4.320 -0.228 0.000 0.218 189 A C 1.998 179.591 177.584 0.015 0.000 1.181 189 A CA 2.038 54.083 52.037 0.014 0.000 0.627 189 A CB -0.635 18.372 19.000 0.011 0.000 0.818 189 A HN 0.552 nan 8.150 nan 0.000 0.445 190 D N -0.014 120.391 120.400 0.008 0.000 2.144 190 D HA -0.117 4.387 4.640 -0.228 0.000 0.199 190 D C 1.884 178.188 176.300 0.007 0.000 0.984 190 D CA 1.124 55.128 54.000 0.007 0.000 0.834 190 D CB -0.269 40.528 40.800 -0.004 0.000 0.955 190 D HN 0.481 nan 8.370 nan 0.000 0.465 191 L N 0.136 121.358 121.223 -0.002 0.000 2.179 191 L HA -0.069 4.135 4.340 -0.228 0.000 0.208 191 L C 2.486 179.361 176.870 0.008 0.000 1.096 191 L CA 0.245 55.079 54.840 -0.010 0.000 0.779 191 L CB -0.092 41.951 42.059 -0.027 0.000 0.922 191 L HN -0.097 nan 8.230 nan 0.000 0.443 192 V N 0.222 120.148 119.914 0.021 0.000 2.343 192 V HA -0.283 3.700 4.120 -0.228 0.000 0.247 192 V C 2.780 178.903 176.094 0.048 0.000 1.051 192 V CA 1.796 64.119 62.300 0.039 0.000 1.036 192 V CB -0.855 30.997 31.823 0.049 0.000 0.654 192 V HN 0.470 nan 8.190 nan 0.000 0.451 193 A N -0.111 122.736 122.820 0.045 0.000 1.883 193 A HA -0.220 3.963 4.320 -0.228 0.000 0.217 193 A C 2.167 179.793 177.584 0.071 0.000 1.186 193 A CA 2.164 54.234 52.037 0.055 0.000 0.624 193 A CB -0.623 18.405 19.000 0.047 0.000 0.822 193 A HN 0.448 nan 8.150 nan 0.000 0.444 194 L N -0.236 121.026 121.223 0.065 0.000 2.131 194 L HA -0.089 4.114 4.340 -0.228 0.000 0.210 194 L C 2.424 179.357 176.870 0.104 0.000 1.092 194 L CA 2.612 57.510 54.840 0.097 0.000 0.759 194 L CB -0.995 41.089 42.059 0.042 0.000 0.903 194 L HN 0.382 nan 8.230 nan 0.000 0.435 195 T N -0.307 114.279 114.554 0.054 0.000 2.708 195 T HA -0.176 4.037 4.350 -0.228 0.000 0.266 195 T C 1.930 176.653 174.700 0.038 0.000 1.037 195 T CA 1.891 64.012 62.100 0.035 0.000 1.146 195 T CB -0.288 68.585 68.868 0.009 0.000 0.865 195 T HN 0.300 nan 8.240 nan 0.000 0.435 196 L N 0.518 121.765 121.223 0.040 0.000 2.093 196 L HA -0.032 4.172 4.340 -0.228 0.000 0.208 196 L C 2.758 179.648 176.870 0.034 0.000 1.085 196 L CA 1.229 56.084 54.840 0.025 0.000 0.755 196 L CB -0.428 41.664 42.059 0.055 0.000 0.904 196 L HN 0.327 nan 8.230 nan 0.000 0.435 197 E N -0.271 119.975 120.200 0.076 0.000 2.106 197 E HA -0.197 4.016 4.350 -0.228 0.000 0.192 197 E C 1.966 178.607 176.600 0.069 0.000 0.984 197 E CA 1.621 58.067 56.400 0.078 0.000 0.806 197 E CB 0.146 29.952 29.700 0.177 0.000 0.750 197 E HN 0.377 nan 8.360 nan 0.000 0.458 198 T N -0.257 114.420 114.554 0.204 0.000 2.720 198 T HA -0.136 4.078 4.350 -0.228 0.000 0.268 198 T C 1.679 176.454 174.700 0.124 0.000 1.037 198 T CA 1.197 63.455 62.100 0.264 0.000 1.144 198 T CB -0.584 68.430 68.868 0.242 0.000 0.864 198 T HN 0.406 nan 8.240 nan 0.000 0.444 199 G N 1.355 110.187 108.800 0.053 0.000 2.440 199 G HA2 -0.258 3.566 3.960 -0.228 0.000 0.218 199 G HA3 -0.258 3.566 3.960 -0.228 0.000 0.218 199 G C 1.485 176.378 174.900 -0.012 0.000 1.154 199 G CA 1.159 46.267 45.100 0.013 0.000 0.767 199 G HN 0.475 nan 8.290 nan 0.000 0.552 200 K N -0.463 119.896 120.400 -0.067 0.000 2.032 200 K HA -0.053 4.130 4.320 -0.228 0.000 0.209 200 K C 2.143 178.585 176.600 -0.264 0.000 1.048 200 K CA 1.174 57.353 56.287 -0.180 0.000 0.927 200 K CB -0.317 32.021 32.500 -0.270 0.000 0.712 200 K HN 0.311 nan 8.250 nan 0.000 0.441 201 F N 0.504 120.298 119.950 -0.261 0.000 2.365 201 F HA 0.011 4.397 4.527 -0.235 0.000 0.300 201 F C 2.258 178.026 175.800 -0.053 0.000 1.090 201 F CA 1.083 58.941 58.000 -0.237 0.000 1.408 201 F CB -0.443 38.245 39.000 -0.521 0.000 1.060 201 F HN 0.220 nan 8.300 nan 0.000 0.534 202 G N -0.069 108.809 108.800 0.131 0.000 2.421 202 G HA2 -0.200 3.623 3.960 -0.228 0.000 0.216 202 G HA3 -0.200 3.623 3.960 -0.228 0.000 0.216 202 G C 1.818 176.792 174.900 0.123 0.000 1.171 202 G CA 1.154 46.343 45.100 0.148 0.000 0.775 202 G HN 0.225 nan 8.290 nan 0.000 0.543 203 V N 1.272 121.226 119.914 0.066 0.000 2.287 203 V HA -0.213 3.771 4.120 -0.228 0.000 0.248 203 V C 3.129 179.230 176.094 0.011 0.000 1.053 203 V CA 2.291 64.639 62.300 0.079 0.000 1.027 203 V CB -0.729 31.127 31.823 0.054 0.000 0.646 203 V HN 0.368 nan 8.190 nan 0.000 0.447 204 S N 0.282 115.958 115.700 -0.039 0.000 2.368 204 S HA -0.185 4.149 4.470 -0.228 0.000 0.225 204 S C 2.222 176.818 174.600 -0.006 0.000 1.030 204 S CA 1.478 59.647 58.200 -0.050 0.000 0.999 204 S CB -0.542 62.612 63.200 -0.077 0.000 0.844 204 S HN 0.667 nan 8.310 nan 0.000 0.459 205 A N 1.542 124.407 122.820 0.075 0.000 1.898 205 A HA -0.014 4.170 4.320 -0.228 0.000 0.216 205 A C 2.163 179.763 177.584 0.026 0.000 1.181 205 A CA 1.359 53.464 52.037 0.113 0.000 0.620 205 A CB -0.588 18.537 19.000 0.209 0.000 0.819 205 A HN 0.452 nan 8.150 nan 0.000 0.442 206 M N -0.662 118.916 119.600 -0.037 0.000 2.175 206 M HA -0.136 4.207 4.480 -0.228 0.000 0.264 206 M C 2.521 178.474 176.300 -0.579 0.000 1.063 206 M CA 1.321 56.475 55.300 -0.243 0.000 1.119 206 M CB -0.433 32.091 32.600 -0.127 0.000 1.377 206 M HN 0.509 nan 8.290 nan 0.000 0.415 207 A N 0.279 122.676 122.820 -0.704 0.000 1.898 207 A HA -0.155 4.029 4.320 -0.228 0.000 0.216 207 A C 2.064 179.442 177.584 -0.343 0.000 1.181 207 A CA 1.266 52.789 52.037 -0.856 0.000 0.620 207 A CB -0.719 18.024 19.000 -0.428 0.000 0.819 207 A HN 0.417 nan 8.150 nan 0.000 0.442 208 L N -0.826 120.293 121.223 -0.173 0.000 2.017 208 L HA -0.098 4.106 4.340 -0.228 0.000 0.208 208 L C 2.255 179.111 176.870 -0.024 0.000 1.073 208 L CA 1.878 56.686 54.840 -0.053 0.000 0.745 208 L CB -0.530 41.537 42.059 0.012 0.000 0.894 208 L HN 0.368 nan 8.230 nan 0.000 0.432 209 L N -0.418 120.788 121.223 -0.027 0.000 2.046 209 L HA -0.219 3.984 4.340 -0.228 0.000 0.208 209 L C 2.247 179.128 176.870 0.019 0.000 1.077 209 L CA 2.096 56.951 54.840 0.026 0.000 0.747 209 L CB -1.119 40.957 42.059 0.029 0.000 0.896 209 L HN 0.520 nan 8.230 nan 0.000 0.432 210 D N -0.523 119.848 120.400 -0.048 0.000 2.104 210 D HA -0.236 4.267 4.640 -0.228 0.000 0.194 210 D C 1.910 178.275 176.300 0.109 0.000 0.994 210 D CA 1.467 55.510 54.000 0.071 0.000 0.830 210 D CB 0.314 41.149 40.800 0.058 0.000 0.959 210 D HN 0.477 nan 8.370 nan 0.000 0.452 211 A N 1.011 123.860 122.820 0.050 0.000 1.933 211 A HA 0.003 4.186 4.320 -0.228 0.000 0.218 211 A C 2.433 180.029 177.584 0.021 0.000 1.175 211 A CA 2.175 54.243 52.037 0.051 0.000 0.628 211 A CB -0.727 18.290 19.000 0.028 0.000 0.814 211 A HN 0.368 nan 8.150 nan 0.000 0.444 212 A N 0.197 123.033 122.820 0.026 0.000 1.873 212 A HA -0.176 4.007 4.320 -0.228 0.000 0.215 212 A C 1.995 179.578 177.584 -0.001 0.000 1.186 212 A CA 1.749 53.795 52.037 0.015 0.000 0.616 212 A CB -0.596 18.438 19.000 0.056 0.000 0.823 212 A HN 0.525 nan 8.150 nan 0.000 0.442 213 N N -0.071 118.672 118.700 0.072 0.000 2.058 213 N HA -0.136 4.468 4.740 -0.228 0.000 0.191 213 N C 2.071 177.663 175.510 0.136 0.000 1.037 213 N CA 2.439 55.563 53.050 0.124 0.000 0.848 213 N CB -0.862 37.760 38.487 0.225 0.000 1.021 213 N HN 0.693 nan 8.380 nan 0.000 0.422 214 T N -2.328 112.299 114.554 0.123 0.000 2.904 214 T HA 0.002 4.215 4.350 -0.228 0.000 0.267 214 T C 2.047 176.643 174.700 -0.173 0.000 1.059 214 T CA 1.280 63.350 62.100 -0.049 0.000 1.137 214 T CB -0.775 67.861 68.868 -0.386 0.000 0.879 214 T HN 0.179 nan 8.240 nan 0.000 0.467 215 G N 0.911 109.633 108.800 -0.131 0.000 2.422 215 G HA2 -0.084 3.739 3.960 -0.228 0.000 0.218 215 G HA3 -0.084 3.739 3.960 -0.228 0.000 0.218 215 G C 1.594 176.381 174.900 -0.188 0.000 1.140 215 G CA 1.259 46.282 45.100 -0.130 0.000 0.775 215 G HN 0.561 nan 8.290 nan 0.000 0.545 216 T N -0.618 113.753 114.554 -0.305 0.000 2.983 216 T HA 0.074 4.288 4.350 -0.228 0.000 0.250 216 T C 1.438 175.716 174.700 -0.703 0.000 1.037 216 T CA 0.663 62.404 62.100 -0.599 0.000 1.142 216 T CB -0.067 68.228 68.868 -0.954 0.000 0.876 216 T HN 0.332 nan 8.240 nan 0.000 0.455 217 Y N 0.938 121.155 120.300 -0.137 0.000 2.500 217 Y HA 0.521 4.932 4.550 -0.232 0.000 0.246 217 Y C 1.302 177.193 175.900 -0.014 0.000 1.146 217 Y CA -0.583 57.382 58.100 -0.225 0.000 1.230 217 Y CB 0.237 38.368 38.460 -0.548 0.000 1.214 217 Y HN 0.338 nan 8.280 nan 0.000 0.526 218 G N 0.111 108.962 108.800 0.086 0.000 2.707 218 G HA2 -0.186 3.637 3.960 -0.228 0.000 0.686 218 G HA3 -0.186 3.637 3.960 -0.228 0.000 0.686 218 G C -1.010 173.908 174.900 0.030 0.000 1.315 218 G CA -1.041 44.090 45.100 0.051 0.000 0.832 218 G HN 0.264 nan 8.290 nan 0.000 0.573 219 H N 0.918 120.007 119.070 0.031 0.000 2.722 219 H HA 0.309 4.728 4.556 -0.228 0.000 0.328 219 H C -1.721 173.504 175.328 -0.170 0.000 1.067 219 H CA -0.419 55.584 56.048 -0.075 0.000 1.447 219 H CB 0.823 30.524 29.762 -0.101 0.000 1.469 219 H HN 0.247 nan 8.280 nan 0.000 0.544 220 P HA -0.053 nan 4.420 nan 0.000 0.266 220 P C -0.080 177.116 177.300 -0.173 0.000 1.193 220 P CA 0.470 63.392 63.100 -0.297 0.000 0.770 220 P CB 0.666 32.159 31.700 -0.345 0.000 0.836 221 E N 1.598 121.698 120.200 -0.166 0.000 2.416 221 E HA 0.461 4.674 4.350 -0.228 0.000 0.273 221 E C -0.682 175.727 176.600 -0.319 0.000 0.935 221 E CA -1.065 55.210 56.400 -0.209 0.000 0.784 221 E CB 0.976 30.612 29.700 -0.107 0.000 1.301 221 E HN 0.150 nan 8.360 nan 0.000 0.454 222 I N 1.468 121.783 120.570 -0.424 0.000 2.826 222 I HA 0.004 4.037 4.170 -0.228 0.000 0.295 222 I C -0.316 175.661 176.117 -0.233 0.000 1.213 222 I CA 1.160 62.164 61.300 -0.495 0.000 1.436 222 I CB 0.145 37.896 38.000 -0.415 0.000 1.348 222 I HN 0.509 nan 8.210 nan 0.000 0.570 223 T N 5.892 120.328 114.554 -0.197 0.000 2.956 223 T HA 0.328 4.541 4.350 -0.228 0.000 0.312 223 T C -0.759 173.954 174.700 0.021 0.000 1.151 223 T CA -1.047 61.044 62.100 -0.014 0.000 1.024 223 T CB 1.682 70.648 68.868 0.164 0.000 1.140 223 T HN 0.385 nan 8.240 nan 0.000 0.473 224 K N 1.891 122.315 120.400 0.040 0.000 2.240 224 K HA 0.672 4.855 4.320 -0.228 0.000 0.271 224 K C -0.933 175.677 176.600 0.017 0.000 1.018 224 K CA -0.729 55.578 56.287 0.033 0.000 0.874 224 K CB 1.677 34.190 32.500 0.021 0.000 1.098 224 K HN 0.258 nan 8.250 nan 0.000 0.458 225 V N 3.183 123.090 119.914 -0.012 0.000 2.384 225 V HA 0.129 4.112 4.120 -0.228 0.000 0.287 225 V C -0.059 175.956 176.094 -0.132 0.000 1.020 225 V CA -1.105 61.102 62.300 -0.154 0.000 0.850 225 V CB 1.284 32.959 31.823 -0.247 0.000 0.987 225 V HN 0.699 nan 8.190 nan 0.000 0.436 226 N N 4.002 122.617 118.700 -0.143 0.000 2.483 226 N HA 0.156 4.759 4.740 -0.228 0.000 0.264 226 N C 0.672 176.151 175.510 -0.051 0.000 1.197 226 N CA -0.061 52.948 53.050 -0.068 0.000 0.927 226 N CB 0.885 39.345 38.487 -0.044 0.000 1.065 226 N HN 0.759 nan 8.380 nan 0.000 0.461 227 I N 0.026 120.595 120.570 -0.003 0.000 4.018 227 I HA 0.472 4.506 4.170 -0.228 0.000 0.337 227 I C 0.922 177.080 176.117 0.069 0.000 1.327 227 I CA -0.608 60.708 61.300 0.026 0.000 1.100 227 I CB 0.149 38.149 38.000 0.000 0.000 1.025 227 I HN 0.293 nan 8.210 nan 0.000 0.396 228 G N 1.744 110.593 108.800 0.082 0.000 2.543 228 G HA2 0.553 4.376 3.960 -0.228 0.000 0.290 228 G HA3 0.553 4.376 3.960 -0.228 0.000 0.290 228 G C -0.349 174.680 174.900 0.216 0.000 1.310 228 G CA 0.139 45.306 45.100 0.112 0.000 1.025 228 G HN 0.262 nan 8.290 nan 0.000 0.502 229 V N -2.998 117.039 119.914 0.205 0.000 3.074 229 V HA 0.969 4.952 4.120 -0.228 0.000 0.314 229 V C 0.530 176.744 176.094 0.199 0.000 1.117 229 V CA -0.143 62.332 62.300 0.291 0.000 1.014 229 V CB 1.383 33.301 31.823 0.160 0.000 1.057 229 V HN 1.159 nan 8.190 nan 0.000 0.438 230 G N 0.531 109.484 108.800 0.255 0.000 2.568 230 G HA2 0.509 4.332 3.960 -0.228 0.000 0.293 230 G HA3 0.509 4.332 3.960 -0.228 0.000 0.293 230 G C 0.584 175.538 174.900 0.091 0.000 1.347 230 G CA 0.019 45.207 45.100 0.145 0.000 1.039 230 G HN 1.690 nan 8.290 nan 0.000 0.523 231 S N -1.096 114.638 115.700 0.056 0.000 2.554 231 S HA 0.211 4.544 4.470 -0.228 0.000 0.226 231 S C 0.355 174.961 174.600 0.010 0.000 0.980 231 S CA -0.524 57.687 58.200 0.018 0.000 0.939 231 S CB -0.055 63.153 63.200 0.014 0.000 0.832 231 S HN 0.319 nan 8.310 nan 0.000 0.486 232 N N 3.297 122.019 118.700 0.037 0.000 2.495 232 N HA 0.521 5.125 4.740 -0.228 0.000 0.280 232 N C -2.946 172.569 175.510 0.007 0.000 1.168 232 N CA -1.759 51.308 53.050 0.029 0.000 0.978 232 N CB 0.304 38.823 38.487 0.054 0.000 1.191 232 N HN 0.117 nan 8.380 nan 0.000 0.497 233 P HA 0.168 nan 4.420 nan 0.000 0.267 233 P C -0.246 177.062 177.300 0.014 0.000 1.200 233 P CA -0.093 62.978 63.100 -0.048 0.000 0.772 233 P CB 0.415 32.100 31.700 -0.025 0.000 0.855 234 G N 1.139 109.924 108.800 -0.025 0.000 2.642 234 G HA2 0.713 4.536 3.960 -0.228 0.000 0.293 234 G HA3 0.713 4.536 3.960 -0.228 0.000 0.293 234 G C -1.493 173.562 174.900 0.258 0.000 1.341 234 G CA -0.778 44.443 45.100 0.202 0.000 0.916 234 G HN 0.389 nan 8.290 nan 0.000 0.474 235 I N 0.327 121.074 120.570 0.296 0.000 2.433 235 I HA 0.336 4.370 4.170 -0.228 0.000 0.292 235 I C -0.971 175.128 176.117 -0.031 0.000 1.001 235 I CA -0.809 60.553 61.300 0.103 0.000 1.119 235 I CB 2.196 40.142 38.000 -0.089 0.000 1.289 235 I HN 0.242 nan 8.210 nan 0.000 0.438 236 L N 7.853 128.786 121.223 -0.482 0.000 2.265 236 L HA 0.536 4.740 4.340 -0.228 0.000 0.289 236 L C -0.678 175.919 176.870 -0.456 0.000 1.033 236 L CA -0.016 54.357 54.840 -0.777 0.000 0.814 236 L CB 1.013 42.084 42.059 -1.647 0.000 1.203 236 L HN 0.492 nan 8.230 nan 0.000 0.423 237 I N 4.074 124.486 120.570 -0.263 0.000 2.359 237 I HA 0.500 4.534 4.170 -0.228 0.000 0.294 237 I C -0.257 175.812 176.117 -0.080 0.000 0.987 237 I CA 0.147 61.325 61.300 -0.204 0.000 1.225 237 I CB 1.430 39.290 38.000 -0.232 0.000 1.366 237 I HN 0.717 nan 8.210 nan 0.000 0.466 238 S N 4.112 119.798 115.700 -0.024 0.000 2.709 238 S HA 0.964 5.297 4.470 -0.228 0.000 0.302 238 S C -0.061 174.612 174.600 0.121 0.000 1.127 238 S CA 0.357 58.644 58.200 0.145 0.000 0.905 238 S CB 1.479 64.874 63.200 0.324 0.000 1.151 238 S HN 1.270 nan 8.310 nan 0.000 0.510 239 G N 1.629 110.517 108.800 0.147 0.000 2.481 239 G HA2 -0.142 3.682 3.960 -0.228 0.000 0.230 239 G HA3 -0.142 3.682 3.960 -0.228 0.000 0.230 239 G C -0.242 174.652 174.900 -0.009 0.000 1.210 239 G CA 0.600 45.812 45.100 0.187 0.000 0.936 239 G HN 0.893 nan 8.290 nan 0.000 0.583 240 H N 0.058 119.202 119.070 0.123 0.000 3.622 240 H HA 0.346 4.860 4.556 -0.070 0.000 0.259 240 H C 0.225 175.476 175.328 -0.129 0.000 1.145 240 H CA 0.289 56.341 56.048 0.006 0.000 1.178 240 H CB 0.601 30.355 29.762 -0.013 0.000 1.542 240 H HN 0.477 nan 8.280 nan 0.000 0.586 241 D N 1.175 121.641 120.400 0.110 0.000 2.338 241 D HA 0.080 4.584 4.640 -0.228 0.000 0.255 241 D C 1.004 177.304 176.300 -0.000 0.000 1.237 241 D CA -0.008 54.059 54.000 0.111 0.000 0.883 241 D CB 0.747 41.719 40.800 0.287 0.000 1.087 241 D HN 0.176 nan 8.370 nan 0.000 0.485 242 L N 3.145 124.355 121.223 -0.022 0.000 2.217 242 L HA -0.045 4.159 4.340 -0.228 0.000 0.211 242 L C 2.299 179.128 176.870 -0.069 0.000 1.107 242 L CA 0.415 55.167 54.840 -0.148 0.000 0.783 242 L CB -0.303 41.678 42.059 -0.130 0.000 0.919 242 L HN 0.391 nan 8.230 nan 0.000 0.442 243 R N 0.836 121.425 120.500 0.147 0.000 2.075 243 R HA -0.160 4.043 4.340 -0.228 0.000 0.232 243 R C 1.751 178.112 176.300 0.101 0.000 1.126 243 R CA 1.635 57.863 56.100 0.212 0.000 0.963 243 R CB -0.532 29.908 30.300 0.234 0.000 0.858 243 R HN 0.237 nan 8.270 nan 0.000 0.435 244 D N 0.182 120.623 120.400 0.068 0.000 2.123 244 D HA -0.171 4.333 4.640 -0.228 0.000 0.196 244 D C 1.814 178.049 176.300 -0.108 0.000 0.992 244 D CA 1.335 55.376 54.000 0.069 0.000 0.833 244 D CB -0.284 40.555 40.800 0.066 0.000 0.954 244 D HN 0.210 nan 8.370 nan 0.000 0.455 245 L N 1.360 122.415 121.223 -0.279 0.000 2.017 245 L HA -0.151 4.052 4.340 -0.228 0.000 0.208 245 L C 2.139 178.703 176.870 -0.509 0.000 1.073 245 L CA 1.852 56.367 54.840 -0.540 0.000 0.745 245 L CB -0.577 40.958 42.059 -0.873 0.000 0.894 245 L HN -0.011 nan 8.230 nan 0.000 0.432 246 E N -0.672 119.358 120.200 -0.284 0.000 2.070 246 E HA -0.294 3.920 4.350 -0.228 0.000 0.197 246 E C 2.150 178.713 176.600 -0.061 0.000 1.004 246 E CA 2.104 58.472 56.400 -0.053 0.000 0.805 246 E CB -0.221 29.613 29.700 0.224 0.000 0.744 246 E HN 0.595 nan 8.360 nan 0.000 0.451 247 M N 0.059 119.683 119.600 0.040 0.000 2.117 247 M HA -0.165 4.179 4.480 -0.228 0.000 0.262 247 M C 2.485 178.857 176.300 0.121 0.000 1.065 247 M CA 0.882 56.267 55.300 0.142 0.000 1.114 247 M CB -0.227 32.515 32.600 0.236 0.000 1.361 247 M HN 0.218 nan 8.290 nan 0.000 0.408 248 L N 0.692 121.862 121.223 -0.089 0.000 2.046 248 L HA -0.141 4.063 4.340 -0.228 0.000 0.208 248 L C 2.080 178.805 176.870 -0.242 0.000 1.077 248 L CA 1.752 56.380 54.840 -0.353 0.000 0.747 248 L CB -0.549 41.065 42.059 -0.742 0.000 0.896 248 L HN 0.230 nan 8.230 nan 0.000 0.432 249 L N -0.763 120.230 121.223 -0.383 0.000 2.046 249 L HA -0.244 3.959 4.340 -0.228 0.000 0.208 249 L C 2.608 179.398 176.870 -0.134 0.000 1.077 249 L CA 1.517 56.078 54.840 -0.465 0.000 0.747 249 L CB -0.551 40.783 42.059 -1.210 0.000 0.896 249 L HN 0.248 nan 8.230 nan 0.000 0.432 250 K N -0.310 120.033 120.400 -0.095 0.000 2.057 250 K HA -0.215 3.968 4.320 -0.228 0.000 0.207 250 K C 2.119 178.799 176.600 0.133 0.000 1.049 250 K CA 1.445 57.815 56.287 0.138 0.000 0.931 250 K CB -0.129 32.467 32.500 0.160 0.000 0.714 250 K HN 0.396 nan 8.250 nan 0.000 0.440 251 Q N -0.235 119.630 119.800 0.107 0.000 2.297 251 Q HA -0.072 4.132 4.340 -0.228 0.000 0.204 251 Q C 1.758 177.792 176.000 0.056 0.000 0.962 251 Q CA 1.551 57.418 55.803 0.106 0.000 0.879 251 Q CB 0.166 29.003 28.738 0.164 0.000 0.947 251 Q HN 0.440 nan 8.270 nan 0.000 0.462 252 T N -2.237 112.344 114.554 0.046 0.000 3.081 252 T HA -0.008 4.205 4.350 -0.228 0.000 0.255 252 T C 0.596 175.146 174.700 -0.250 0.000 1.113 252 T CA -0.091 61.995 62.100 -0.023 0.000 1.082 252 T CB 0.067 68.977 68.868 0.070 0.000 0.939 252 T HN 0.001 nan 8.240 nan 0.000 0.506 253 E N 1.720 121.810 120.200 -0.184 0.000 2.480 253 E HA 0.359 4.573 4.350 -0.228 0.000 0.258 253 E C 1.386 177.883 176.600 -0.172 0.000 0.984 253 E CA 0.966 57.200 56.400 -0.276 0.000 0.930 253 E CB -0.526 29.214 29.700 0.067 0.000 0.936 253 E HN 0.441 nan 8.360 nan 0.000 0.466 254 G N 3.072 111.754 108.800 -0.197 0.000 2.179 254 G HA2 -0.352 3.472 3.960 -0.228 0.000 0.260 254 G HA3 -0.352 3.472 3.960 -0.228 0.000 0.260 254 G C 0.942 175.794 174.900 -0.080 0.000 0.977 254 G CA 1.049 46.092 45.100 -0.095 0.000 0.641 254 G HN 0.817 nan 8.290 nan 0.000 0.533 255 T N -2.689 111.800 114.554 -0.109 0.000 3.057 255 T HA 0.430 4.644 4.350 -0.228 0.000 0.254 255 T C 2.451 177.126 174.700 -0.042 0.000 1.094 255 T CA 1.675 63.740 62.100 -0.059 0.000 1.088 255 T CB 0.315 69.154 68.868 -0.048 0.000 0.934 255 T HN 2.177 nan 8.240 nan 0.000 0.497 256 G N 0.672 109.440 108.800 -0.053 0.000 2.176 256 G HA2 -0.209 3.614 3.960 -0.228 0.000 0.253 256 G HA3 -0.209 3.614 3.960 -0.228 0.000 0.253 256 G C 0.008 174.910 174.900 0.004 0.000 0.979 256 G CA 0.000 45.090 45.100 -0.018 0.000 0.641 256 G HN 0.741 nan 8.290 nan 0.000 0.530 257 V N 1.623 121.538 119.914 0.001 0.000 2.394 257 V HA 0.499 4.482 4.120 -0.228 0.000 0.282 257 V C -0.079 176.075 176.094 0.100 0.000 1.031 257 V CA -0.977 61.347 62.300 0.041 0.000 0.881 257 V CB 1.672 33.509 31.823 0.023 0.000 0.982 257 V HN 0.226 nan 8.190 nan 0.000 0.451 258 D N 2.738 123.222 120.400 0.140 0.000 2.312 258 D HA 0.509 5.012 4.640 -0.228 0.000 0.248 258 D C -0.428 175.972 176.300 0.166 0.000 1.086 258 D CA -0.084 54.010 54.000 0.156 0.000 0.948 258 D CB 2.182 43.048 40.800 0.109 0.000 1.162 258 D HN 0.259 nan 8.370 nan 0.000 0.446 259 V N 2.017 121.970 119.914 0.065 0.000 2.495 259 V HA 0.329 4.312 4.120 -0.228 0.000 0.298 259 V C -0.934 175.162 176.094 0.004 0.000 1.031 259 V CA -0.671 61.675 62.300 0.076 0.000 0.871 259 V CB 0.904 32.714 31.823 -0.022 0.000 0.988 259 V HN 0.383 nan 8.190 nan 0.000 0.432 260 Y N 1.640 121.982 120.300 0.071 0.000 2.509 260 Y HA 0.668 5.080 4.550 -0.230 0.000 0.341 260 Y C 0.782 176.685 175.900 0.005 0.000 1.038 260 Y CA -0.776 57.359 58.100 0.058 0.000 1.089 260 Y CB 2.229 40.739 38.460 0.083 0.000 1.241 260 Y HN 0.713 nan 8.280 nan 0.000 0.468 261 T N -1.378 113.318 114.554 0.236 0.000 2.944 261 T HA 0.443 4.657 4.350 -0.228 0.000 0.284 261 T C -1.112 173.710 174.700 0.204 0.000 1.010 261 T CA -0.651 61.549 62.100 0.166 0.000 1.025 261 T CB 1.745 70.723 68.868 0.183 0.000 1.079 261 T HN 0.793 nan 8.240 nan 0.000 0.516 262 H N 0.263 119.355 119.070 0.036 0.000 2.894 262 H HA 0.418 4.838 4.556 -0.227 0.000 0.367 262 H C 0.561 175.913 175.328 0.041 0.000 1.144 262 H CA 0.342 56.413 56.048 0.039 0.000 1.180 262 H CB 2.073 31.866 29.762 0.051 0.000 1.758 262 H HN 0.943 nan 8.280 nan 0.000 0.541 263 S N 2.505 117.851 115.700 -0.590 0.000 4.155 263 S HA -0.279 4.054 4.470 -0.228 0.000 0.542 263 S C 1.205 175.808 174.600 0.004 0.000 1.863 263 S CA 1.834 59.782 58.200 -0.420 0.000 4.239 263 S CB -1.186 61.675 63.200 -0.565 0.000 0.331 263 S HN 0.871 nan 8.310 nan 0.000 0.461 264 E N 0.703 120.854 120.200 -0.083 0.000 2.494 264 E HA 0.102 4.315 4.350 -0.228 0.000 0.193 264 E C 1.333 177.841 176.600 -0.152 0.000 1.074 264 E CA 0.204 56.495 56.400 -0.181 0.000 0.867 264 E CB -0.073 29.221 29.700 -0.678 0.000 0.924 264 E HN 0.482 nan 8.360 nan 0.000 0.502 265 M N -0.061 119.498 119.600 -0.068 0.000 2.502 265 M HA 0.019 4.362 4.480 -0.228 0.000 0.243 265 M C 1.939 178.237 176.300 -0.003 0.000 1.130 265 M CA 0.105 55.375 55.300 -0.050 0.000 1.055 265 M CB -0.600 31.972 32.600 -0.047 0.000 1.457 265 M HN 0.115 nan 8.290 nan 0.000 0.488 266 L N 2.530 123.777 121.223 0.041 0.000 2.021 266 L HA -0.123 4.080 4.340 -0.228 0.000 0.215 266 L C -0.963 175.806 176.870 -0.168 0.000 1.074 266 L CA 2.530 57.399 54.840 0.048 0.000 0.760 266 L CB -1.967 40.125 42.059 0.054 0.000 0.889 266 L HN 0.102 nan 8.230 nan 0.000 0.433 267 P HA -0.080 nan 4.420 nan 0.000 0.225 267 P C 1.500 178.737 177.300 -0.106 0.000 1.148 267 P CA 1.467 64.272 63.100 -0.491 0.000 0.779 267 P CB -0.275 31.433 31.700 0.014 0.000 0.780 268 A N -0.522 122.308 122.820 0.017 0.000 1.986 268 A HA -0.268 3.915 4.320 -0.228 0.000 0.220 268 A C 1.797 179.564 177.584 0.305 0.000 1.171 268 A CA 1.731 53.835 52.037 0.112 0.000 0.640 268 A CB -1.805 17.004 19.000 -0.319 0.000 0.811 268 A HN 0.260 nan 8.150 nan 0.000 0.451 269 H N -2.272 116.883 119.070 0.141 0.000 2.489 269 H HA -0.140 4.278 4.556 -0.230 0.000 0.295 269 H C 1.340 176.862 175.328 0.323 0.000 1.082 269 H CA 1.908 58.071 56.048 0.191 0.000 1.295 269 H CB -0.152 29.561 29.762 -0.083 0.000 1.380 269 H HN 0.650 nan 8.280 nan 0.000 0.548 270 Y N -1.314 119.185 120.300 0.332 0.000 2.561 270 Y HA 0.013 4.426 4.550 -0.229 0.000 0.291 270 Y C 0.036 175.962 175.900 0.042 0.000 1.141 270 Y CA -0.488 57.678 58.100 0.109 0.000 1.303 270 Y CB -0.776 37.665 38.460 -0.032 0.000 1.015 270 Y HN 0.129 nan 8.280 nan 0.000 0.547 271 Y N 1.631 122.127 120.300 0.326 0.000 2.336 271 Y HA 0.222 4.632 4.550 -0.233 0.000 0.335 271 Y C -1.269 174.716 175.900 0.141 0.000 1.046 271 Y CA -2.819 55.406 58.100 0.207 0.000 1.198 271 Y CB 0.576 39.145 38.460 0.183 0.000 1.182 271 Y HN -0.110 nan 8.280 nan 0.000 0.502 272 P HA -0.243 nan 4.420 nan 0.000 0.218 272 P C 1.166 178.519 177.300 0.088 0.000 1.148 272 P CA 2.090 65.266 63.100 0.126 0.000 0.822 272 P CB 0.196 31.944 31.700 0.079 0.000 0.784 273 A N -1.111 121.716 122.820 0.012 0.000 1.933 273 A HA -0.169 4.015 4.320 -0.228 0.000 0.218 273 A C 1.812 179.378 177.584 -0.029 0.000 1.175 273 A CA 1.390 53.377 52.037 -0.083 0.000 0.628 273 A CB -1.689 17.210 19.000 -0.168 0.000 0.814 273 A HN 0.081 nan 8.150 nan 0.000 0.444 274 F N 0.208 120.263 119.950 0.175 0.000 2.558 274 F HA 0.047 4.436 4.527 -0.230 0.000 0.298 274 F C 1.983 177.949 175.800 0.276 0.000 1.119 274 F CA 0.878 58.953 58.000 0.126 0.000 1.451 274 F CB -0.238 38.670 39.000 -0.152 0.000 1.091 274 F HN 0.163 nan 8.300 nan 0.000 0.563 275 K N 0.373 120.997 120.400 0.373 0.000 2.442 275 K HA -0.087 4.097 4.320 -0.228 0.000 0.198 275 K C 1.370 178.077 176.600 0.180 0.000 1.042 275 K CA 0.671 57.134 56.287 0.293 0.000 0.958 275 K CB -0.141 32.483 32.500 0.207 0.000 0.766 275 K HN 0.257 nan 8.250 nan 0.000 0.474 276 K N 0.256 120.707 120.400 0.084 0.000 2.444 276 K HA 0.028 4.211 4.320 -0.228 0.000 0.193 276 K C -0.534 175.927 176.600 -0.233 0.000 1.024 276 K CA 0.223 56.448 56.287 -0.103 0.000 1.077 276 K CB 0.276 32.648 32.500 -0.213 0.000 0.833 276 K HN 0.078 nan 8.250 nan 0.000 0.517 277 Y N -0.047 120.295 120.300 0.071 0.000 2.369 277 Y HA 0.225 4.639 4.550 -0.226 0.000 0.337 277 Y C 1.096 177.022 175.900 0.043 0.000 0.961 277 Y CA -0.748 57.364 58.100 0.019 0.000 1.186 277 Y CB 1.407 39.750 38.460 -0.195 0.000 1.139 277 Y HN -0.044 nan 8.280 nan 0.000 0.494 278 A N 2.010 124.977 122.820 0.245 0.000 2.015 278 A HA -0.176 4.007 4.320 -0.228 0.000 0.219 278 A C 1.671 179.378 177.584 0.205 0.000 1.163 278 A CA 1.551 53.707 52.037 0.198 0.000 0.646 278 A CB -0.697 18.404 19.000 0.168 0.000 0.806 278 A HN 0.904 nan 8.150 nan 0.000 0.448 279 H N -3.159 115.997 119.070 0.144 0.000 2.533 279 H HA 0.148 4.568 4.556 -0.227 0.000 0.271 279 H C -0.234 175.158 175.328 0.107 0.000 1.000 279 H CA -0.685 55.417 56.048 0.090 0.000 1.149 279 H CB -0.605 29.199 29.762 0.069 0.000 1.375 279 H HN 0.290 nan 8.280 nan 0.000 0.582 280 F N 3.671 123.441 119.950 -0.301 0.000 2.405 280 F HA 0.248 4.636 4.527 -0.232 0.000 0.358 280 F C 0.276 175.979 175.800 -0.162 0.000 1.151 280 F CA -1.329 56.499 58.000 -0.286 0.000 1.161 280 F CB 0.501 39.355 39.000 -0.242 0.000 1.245 280 F HN -0.144 nan 8.300 nan 0.000 0.545 281 K N 3.487 123.675 120.400 -0.354 0.000 2.958 281 K HA 0.515 4.698 4.320 -0.228 0.000 0.304 281 K C 0.798 177.156 176.600 -0.404 0.000 0.995 281 K CA 0.020 56.030 56.287 -0.462 0.000 1.492 281 K CB -0.668 31.311 32.500 -0.868 0.000 1.842 281 K HN 0.627 nan 8.250 nan 0.000 0.725 282 G N 0.142 108.758 108.800 -0.308 0.000 2.736 282 G HA2 0.225 4.049 3.960 -0.228 0.000 0.229 282 G HA3 0.225 4.049 3.960 -0.228 0.000 0.229 282 G C -0.866 174.042 174.900 0.013 0.000 1.380 282 G CA -0.286 44.719 45.100 -0.158 0.000 1.040 282 G HN 0.414 nan 8.290 nan 0.000 0.568 283 N N -1.585 117.099 118.700 -0.026 0.000 2.408 283 N HA 0.408 5.012 4.740 -0.228 0.000 0.280 283 N C -1.793 173.849 175.510 0.220 0.000 1.002 283 N CA -0.589 52.533 53.050 0.121 0.000 0.907 283 N CB 1.285 39.778 38.487 0.009 0.000 1.161 283 N HN 0.396 nan 8.380 nan 0.000 0.488 284 Y N 4.311 124.695 120.300 0.139 0.000 2.331 284 Y HA 0.562 4.973 4.550 -0.230 0.000 0.338 284 Y C 0.838 176.772 175.900 0.056 0.000 0.976 284 Y CA 0.754 58.914 58.100 0.100 0.000 1.137 284 Y CB 0.601 39.112 38.460 0.085 0.000 1.172 284 Y HN 0.865 nan 8.280 nan 0.000 0.478 285 G N 4.764 113.318 108.800 -0.411 0.000 2.512 285 G HA2 -0.295 3.529 3.960 -0.228 0.000 0.240 285 G HA3 -0.295 3.529 3.960 -0.228 0.000 0.240 285 G C -0.753 173.926 174.900 -0.369 0.000 1.246 285 G CA 0.274 45.138 45.100 -0.395 0.000 0.919 285 G HN 0.779 nan 8.290 nan 0.000 0.577 286 N N -0.844 117.509 118.700 -0.579 0.000 3.567 286 N HA 0.712 5.316 4.740 -0.228 0.000 0.347 286 N C 0.491 175.108 175.510 -1.489 0.000 1.553 286 N CA -0.117 52.327 53.050 -1.011 0.000 0.636 286 N CB 0.253 38.359 38.487 -0.635 0.000 2.483 286 N HN 1.281 nan 8.380 nan 0.000 0.608 287 A N 0.480 122.536 122.820 -1.273 0.000 2.296 287 A HA 0.128 4.311 4.320 -0.228 0.000 0.264 287 A C 1.032 178.171 177.584 -0.741 0.000 1.097 287 A CA -0.414 51.109 52.037 -0.858 0.000 0.811 287 A CB -0.427 18.378 19.000 -0.325 0.000 1.072 287 A HN 0.892 nan 8.150 nan 0.000 0.495 288 W N 0.720 121.816 121.300 -0.339 0.000 2.308 288 W HA -0.251 4.296 4.660 -0.188 0.000 0.301 288 W C 1.606 178.013 176.519 -0.187 0.000 1.220 288 W CA 1.803 59.061 57.345 -0.145 0.000 1.240 288 W CB -1.102 28.378 29.460 0.034 0.000 1.142 288 W HN 0.882 nan 8.180 nan 0.000 0.521 289 W N 1.710 122.279 121.300 -1.217 0.000 2.699 289 W HA 0.110 4.626 4.660 -0.240 0.000 0.249 289 W C 1.035 177.212 176.519 -0.571 0.000 1.280 289 W CA 0.669 57.287 57.345 -1.211 0.000 1.345 289 W CB -1.216 27.157 29.460 -1.813 0.000 1.128 289 W HN -0.030 nan 8.180 nan 0.000 0.642 290 K N 1.568 121.302 120.400 -1.110 0.000 2.437 290 K HA -0.054 4.130 4.320 -0.228 0.000 0.198 290 K C 2.134 178.407 176.600 -0.545 0.000 1.024 290 K CA 0.439 56.212 56.287 -0.855 0.000 1.148 290 K CB 0.016 31.893 32.500 -1.038 0.000 0.860 290 K HN 0.369 nan 8.250 nan 0.000 0.515 291 Q N 0.604 120.076 119.800 -0.547 0.000 2.297 291 Q HA -0.095 4.108 4.340 -0.228 0.000 0.204 291 Q C 1.155 176.752 176.000 -0.673 0.000 0.962 291 Q CA 1.018 56.284 55.803 -0.895 0.000 0.879 291 Q CB -0.057 27.773 28.738 -1.513 0.000 0.947 291 Q HN 0.120 nan 8.270 nan 0.000 0.462 292 K N 0.504 120.732 120.400 -0.286 0.000 2.147 292 K HA -0.141 4.043 4.320 -0.228 0.000 0.205 292 K C 1.625 178.206 176.600 -0.032 0.000 1.049 292 K CA 1.596 57.876 56.287 -0.011 0.000 0.936 292 K CB 0.161 32.695 32.500 0.057 0.000 0.722 292 K HN 0.244 nan 8.250 nan 0.000 0.446 293 E N 0.783 120.903 120.200 -0.134 0.000 2.060 293 E HA -0.078 4.135 4.350 -0.228 0.000 0.189 293 E C 1.721 178.258 176.600 -0.105 0.000 0.974 293 E CA 1.001 57.341 56.400 -0.100 0.000 0.808 293 E CB 0.102 29.726 29.700 -0.128 0.000 0.768 293 E HN 0.269 nan 8.360 nan 0.000 0.453 294 E N -0.284 119.810 120.200 -0.177 0.000 2.158 294 E HA -0.070 4.143 4.350 -0.228 0.000 0.191 294 E C 1.543 178.215 176.600 0.121 0.000 0.982 294 E CA 0.430 56.812 56.400 -0.029 0.000 0.823 294 E CB -0.068 29.566 29.700 -0.111 0.000 0.766 294 E HN 0.168 nan 8.360 nan 0.000 0.468 295 F N 1.644 121.382 119.950 -0.352 0.000 2.186 295 F HA -0.102 4.285 4.527 -0.234 0.000 0.299 295 F C 2.327 177.847 175.800 -0.466 0.000 1.090 295 F CA 0.951 58.617 58.000 -0.556 0.000 1.307 295 F CB -0.801 37.572 39.000 -1.046 0.000 1.019 295 F HN 0.083 nan 8.300 nan 0.000 0.489 296 E N 0.572 120.648 120.200 -0.206 0.000 2.031 296 E HA -0.206 4.008 4.350 -0.228 0.000 0.193 296 E C 2.248 178.865 176.600 0.029 0.000 0.994 296 E CA 2.027 58.427 56.400 0.001 0.000 0.800 296 E CB -0.085 29.680 29.700 0.109 0.000 0.752 296 E HN 0.320 nan 8.360 nan 0.000 0.447 297 S N -0.293 115.442 115.700 0.058 0.000 2.474 297 S HA -0.136 4.198 4.470 -0.228 0.000 0.235 297 S C 1.799 176.419 174.600 0.033 0.000 0.997 297 S CA 0.505 58.750 58.200 0.074 0.000 0.949 297 S CB -0.475 62.796 63.200 0.118 0.000 0.766 297 S HN 0.407 nan 8.310 nan 0.000 0.517 298 F N 3.069 122.926 119.950 -0.156 0.000 2.216 298 F HA -0.048 4.346 4.527 -0.222 0.000 0.300 298 F C 1.079 176.653 175.800 -0.377 0.000 1.085 298 F CA 1.286 58.969 58.000 -0.528 0.000 1.326 298 F CB -0.675 37.944 39.000 -0.635 0.000 1.027 298 F HN 0.348 nan 8.300 nan 0.000 0.497 299 N N -2.012 116.535 118.700 -0.255 0.000 2.631 299 N HA -0.232 4.372 4.740 -0.228 0.000 0.218 299 N C 0.872 176.255 175.510 -0.211 0.000 0.972 299 N CA 0.818 53.729 53.050 -0.232 0.000 1.918 299 N CB -1.694 36.626 38.487 -0.279 0.000 0.895 299 N HN 0.499 nan 8.380 nan 0.000 0.540 300 G N 0.927 109.525 108.800 -0.337 0.000 2.557 300 G HA2 0.553 4.376 3.960 -0.228 0.000 0.292 300 G HA3 0.553 4.376 3.960 -0.228 0.000 0.292 300 G C -2.637 172.287 174.900 0.040 0.000 1.237 300 G CA -0.696 44.327 45.100 -0.128 0.000 0.978 300 G HN -0.033 nan 8.290 nan 0.000 0.498 301 P HA 0.294 nan 4.420 nan 0.000 0.272 301 P C -0.620 176.582 177.300 -0.164 0.000 1.223 301 P CA -0.307 62.714 63.100 -0.132 0.000 0.784 301 P CB 1.143 32.717 31.700 -0.209 0.000 0.923 302 V N 2.965 122.741 119.914 -0.230 0.000 2.588 302 V HA 0.371 4.355 4.120 -0.228 0.000 0.304 302 V C -0.344 175.596 176.094 -0.255 0.000 1.042 302 V CA -0.650 61.364 62.300 -0.477 0.000 0.877 302 V CB 1.691 32.925 31.823 -0.981 0.000 0.996 302 V HN 0.333 nan 8.190 nan 0.000 0.425 303 L N 5.885 126.950 121.223 -0.262 0.000 2.298 303 L HA 0.562 4.765 4.340 -0.228 0.000 0.284 303 L C -0.865 175.953 176.870 -0.086 0.000 1.013 303 L CA -0.121 54.647 54.840 -0.120 0.000 0.824 303 L CB 1.226 43.169 42.059 -0.194 0.000 1.221 303 L HN 0.450 nan 8.230 nan 0.000 0.418 304 L N 5.608 126.840 121.223 0.015 0.000 2.255 304 L HA 0.292 4.496 4.340 -0.228 0.000 0.289 304 L C 1.385 178.313 176.870 0.096 0.000 1.046 304 L CA 0.075 54.966 54.840 0.085 0.000 0.816 304 L CB 1.090 43.240 42.059 0.152 0.000 1.197 304 L HN 0.886 nan 8.230 nan 0.000 0.427 305 T N -1.340 113.274 114.554 0.099 0.000 3.014 305 T HA 0.032 4.245 4.350 -0.228 0.000 0.263 305 T C 0.858 175.635 174.700 0.129 0.000 1.078 305 T CA 0.788 62.953 62.100 0.109 0.000 1.135 305 T CB 0.228 69.163 68.868 0.113 0.000 0.895 305 T HN 0.632 nan 8.240 nan 0.000 0.480 306 T N -0.040 114.622 114.554 0.180 0.000 2.645 306 T HA 0.427 4.640 4.350 -0.228 0.000 0.300 306 T C -0.964 173.869 174.700 0.222 0.000 1.210 306 T CA -0.981 61.213 62.100 0.157 0.000 1.034 306 T CB 0.817 69.944 68.868 0.431 0.000 1.537 306 T HN 0.363 nan 8.240 nan 0.000 0.492 307 N N -0.411 118.437 118.700 0.247 0.000 2.381 307 N HA 0.124 4.728 4.740 -0.228 0.000 0.241 307 N C -0.583 175.110 175.510 0.305 0.000 1.279 307 N CA -0.331 52.866 53.050 0.246 0.000 0.896 307 N CB -0.177 38.429 38.487 0.200 0.000 1.118 307 N HN 0.768 nan 8.380 nan 0.000 0.438 308 C N 1.296 120.720 119.300 0.207 0.000 2.273 308 C HA 0.429 4.752 4.460 -0.228 0.000 0.328 308 C C 0.233 175.378 174.990 0.259 0.000 1.275 308 C CA -0.836 58.235 59.018 0.088 0.000 1.704 308 C CB -0.618 26.894 27.740 -0.380 0.000 2.326 308 C HN 0.659 nan 8.230 nan 0.000 0.517 309 L N 6.552 127.954 121.223 0.297 0.000 2.296 309 L HA 0.728 4.931 4.340 -0.228 0.000 0.286 309 L C 0.016 177.083 176.870 0.328 0.000 1.023 309 L CA 0.093 55.136 54.840 0.339 0.000 0.812 309 L CB 1.218 43.489 42.059 0.353 0.000 1.223 309 L HN 0.632 nan 8.230 nan 0.000 0.421 310 V N 3.787 123.839 119.914 0.229 0.000 2.617 310 V HA 0.699 4.683 4.120 -0.228 0.000 0.298 310 V C -2.354 173.640 176.094 -0.166 0.000 1.048 310 V CA -2.218 60.158 62.300 0.126 0.000 0.964 310 V CB 0.730 32.676 31.823 0.206 0.000 1.004 310 V HN 0.779 nan 8.190 nan 0.000 0.466 311 P HA 0.165 nan 4.420 nan 0.000 0.258 311 P C -2.468 174.540 177.300 -0.486 0.000 1.172 311 P CA -0.128 62.575 63.100 -0.662 0.000 0.762 311 P CB -0.268 31.239 31.700 -0.322 0.000 0.764 312 P HA 0.178 nan 4.420 nan 0.000 0.277 312 P C -0.416 176.566 177.300 -0.530 0.000 1.240 312 P CA -0.351 62.465 63.100 -0.472 0.000 0.798 312 P CB 1.061 32.468 31.700 -0.488 0.000 0.979 313 K N 1.271 121.262 120.400 -0.681 0.000 2.355 313 K HA 0.041 4.224 4.320 -0.228 0.000 0.270 313 K C 0.915 177.192 176.600 -0.539 0.000 1.003 313 K CA -0.255 55.741 56.287 -0.485 0.000 0.957 313 K CB 0.211 32.529 32.500 -0.304 0.000 0.939 313 K HN 0.343 nan 8.250 nan 0.000 0.482 314 D N 0.740 120.975 120.400 -0.275 0.000 2.221 314 D HA -0.154 4.349 4.640 -0.228 0.000 0.204 314 D C 1.840 178.039 176.300 -0.168 0.000 0.982 314 D CA 1.455 55.340 54.000 -0.192 0.000 0.857 314 D CB -0.104 40.636 40.800 -0.100 0.000 0.934 314 D HN 0.578 nan 8.370 nan 0.000 0.475 315 S N 0.013 115.623 115.700 -0.150 0.000 2.400 315 S HA -0.223 4.110 4.470 -0.228 0.000 0.232 315 S C 1.789 176.411 174.600 0.037 0.000 1.025 315 S CA 1.227 59.410 58.200 -0.030 0.000 0.993 315 S CB -0.609 62.620 63.200 0.048 0.000 0.808 315 S HN 0.569 nan 8.310 nan 0.000 0.478 316 Y N -0.681 119.621 120.300 0.004 0.000 2.563 316 Y HA 0.555 4.967 4.550 -0.229 0.000 0.250 316 Y C 1.517 177.409 175.900 -0.013 0.000 1.126 316 Y CA -0.948 57.156 58.100 0.007 0.000 1.231 316 Y CB -0.093 38.385 38.460 0.030 0.000 1.288 316 Y HN 0.090 nan 8.280 nan 0.000 0.537 317 K N 1.480 121.717 120.400 -0.271 0.000 2.113 317 K HA -0.268 3.916 4.320 -0.228 0.000 0.208 317 K C 1.234 177.802 176.600 -0.054 0.000 1.047 317 K CA 2.238 58.411 56.287 -0.190 0.000 0.928 317 K CB -0.284 32.084 32.500 -0.221 0.000 0.716 317 K HN 0.435 nan 8.250 nan 0.000 0.446 318 D N 0.184 120.578 120.400 -0.010 0.000 2.350 318 D HA -0.118 4.385 4.640 -0.228 0.000 0.216 318 D C 1.188 177.548 176.300 0.101 0.000 0.968 318 D CA 0.733 54.751 54.000 0.029 0.000 0.894 318 D CB 0.201 41.037 40.800 0.059 0.000 0.909 318 D HN 0.380 nan 8.370 nan 0.000 0.520 319 R N -0.638 119.915 120.500 0.089 0.000 2.546 319 R HA 0.263 4.467 4.340 -0.228 0.000 0.320 319 R C -0.586 175.739 176.300 0.041 0.000 1.021 319 R CA -0.359 55.767 56.100 0.043 0.000 1.088 319 R CB 0.334 30.569 30.300 -0.108 0.000 1.278 319 R HN -0.061 nan 8.270 nan 0.000 0.557 320 V N 2.192 122.099 119.914 -0.011 0.000 2.432 320 V HA 0.266 4.249 4.120 -0.228 0.000 0.275 320 V C -0.917 175.116 176.094 -0.101 0.000 1.043 320 V CA -0.347 61.955 62.300 0.003 0.000 0.925 320 V CB 0.500 32.353 31.823 0.050 0.000 0.985 320 V HN 0.134 nan 8.190 nan 0.000 0.466 321 Y N 2.431 122.728 120.300 -0.005 0.000 2.364 321 Y HA 0.562 4.974 4.550 -0.230 0.000 0.340 321 Y C 0.729 176.655 175.900 0.044 0.000 0.975 321 Y CA -0.799 57.323 58.100 0.037 0.000 1.089 321 Y CB 2.075 40.550 38.460 0.024 0.000 1.192 321 Y HN 0.727 nan 8.280 nan 0.000 0.454 322 T N -1.075 113.605 114.554 0.210 0.000 2.944 322 T HA 0.800 5.013 4.350 -0.228 0.000 0.284 322 T C -0.208 174.509 174.700 0.029 0.000 1.010 322 T CA -0.591 61.632 62.100 0.205 0.000 1.025 322 T CB 2.156 71.233 68.868 0.348 0.000 1.079 322 T HN 0.631 nan 8.240 nan 0.000 0.516 323 T N -1.109 113.446 114.554 0.001 0.000 2.731 323 T HA 0.630 4.843 4.350 -0.228 0.000 0.300 323 T C 0.661 175.373 174.700 0.019 0.000 1.283 323 T CA 0.911 62.884 62.100 -0.212 0.000 1.005 323 T CB 0.819 69.637 68.868 -0.082 0.000 1.420 323 T HN 1.873 nan 8.240 nan 0.000 0.503 324 G N 1.479 110.283 108.800 0.006 0.000 2.583 324 G HA2 -0.260 3.563 3.960 -0.228 0.000 0.292 324 G HA3 -0.260 3.563 3.960 -0.228 0.000 0.292 324 G C 0.610 175.557 174.900 0.079 0.000 1.203 324 G CA 1.039 46.153 45.100 0.023 0.000 0.987 324 G HN 1.636 nan 8.290 nan 0.000 0.554 325 I N -0.325 120.194 120.570 -0.085 0.000 3.875 325 I HA 0.514 4.548 4.170 -0.228 0.000 0.329 325 I C 0.946 177.030 176.117 -0.054 0.000 1.295 325 I CA -0.557 60.687 61.300 -0.094 0.000 1.129 325 I CB -0.207 37.682 38.000 -0.186 0.000 1.008 325 I HN 0.332 nan 8.210 nan 0.000 0.413 326 V N 1.998 121.931 119.914 0.032 0.000 2.686 326 V HA 0.755 4.738 4.120 -0.228 0.000 0.295 326 V C 0.863 177.062 176.094 0.175 0.000 1.055 326 V CA 0.136 62.500 62.300 0.107 0.000 1.050 326 V CB 0.568 32.478 31.823 0.146 0.000 0.984 326 V HN 0.558 nan 8.190 nan 0.000 0.482 327 G N 2.697 111.611 108.800 0.190 0.000 2.732 327 G HA2 0.643 4.466 3.960 -0.228 0.000 0.296 327 G HA3 0.643 4.466 3.960 -0.228 0.000 0.296 327 G C -2.001 173.099 174.900 0.333 0.000 1.448 327 G CA -0.423 44.784 45.100 0.180 0.000 0.911 327 G HN 0.501 nan 8.290 nan 0.000 0.528 328 F N 1.097 121.128 119.950 0.135 0.000 2.605 328 F HA 0.516 4.903 4.527 -0.232 0.000 0.320 328 F C 0.295 176.128 175.800 0.054 0.000 1.159 328 F CA -0.418 57.656 58.000 0.123 0.000 0.999 328 F CB 2.124 41.172 39.000 0.081 0.000 1.258 328 F HN 0.498 nan 8.300 nan 0.000 0.464 329 T N 4.340 118.698 114.554 -0.326 0.000 2.871 329 T HA 0.404 4.618 4.350 -0.228 0.000 0.296 329 T C 0.920 175.661 174.700 0.068 0.000 0.998 329 T CA 1.634 63.655 62.100 -0.132 0.000 1.162 329 T CB 0.238 68.970 68.868 -0.225 0.000 0.947 329 T HN 1.256 nan 8.240 nan 0.000 0.536 330 G N 2.102 110.946 108.800 0.073 0.000 2.195 330 G HA2 -0.242 3.581 3.960 -0.228 0.000 0.246 330 G HA3 -0.242 3.581 3.960 -0.228 0.000 0.246 330 G C 0.357 175.309 174.900 0.086 0.000 0.984 330 G CA -0.183 44.967 45.100 0.083 0.000 0.633 330 G HN 0.824 nan 8.290 nan 0.000 0.525 331 C N 1.964 121.343 119.300 0.131 0.000 2.319 331 C HA 0.596 4.919 4.460 -0.228 0.000 0.335 331 C C 0.957 175.969 174.990 0.037 0.000 1.274 331 C CA -1.032 58.026 59.018 0.066 0.000 1.806 331 C CB 0.871 28.689 27.740 0.129 0.000 2.329 331 C HN 0.464 nan 8.230 nan 0.000 0.524 332 K N 1.791 122.138 120.400 -0.088 0.000 2.485 332 K HA 0.098 4.281 4.320 -0.228 0.000 0.277 332 K C -0.293 176.365 176.600 0.096 0.000 0.990 332 K CA 0.665 56.916 56.287 -0.060 0.000 0.994 332 K CB 0.182 32.511 32.500 -0.284 0.000 0.906 332 K HN 0.732 nan 8.250 nan 0.000 0.488 333 H N 1.973 121.080 119.070 0.062 0.000 2.538 333 H HA 0.371 4.788 4.556 -0.231 0.000 0.353 333 H C -1.051 174.344 175.328 0.112 0.000 1.109 333 H CA -0.652 55.454 56.048 0.096 0.000 1.192 333 H CB 0.773 30.572 29.762 0.062 0.000 1.555 333 H HN 0.402 nan 8.280 nan 0.000 0.518 334 I N 7.866 128.236 120.570 -0.332 0.000 2.307 334 I HA 0.259 4.292 4.170 -0.228 0.000 0.289 334 I C -2.197 173.680 176.117 -0.399 0.000 1.021 334 I CA -2.067 59.092 61.300 -0.235 0.000 1.224 334 I CB 1.433 39.362 38.000 -0.118 0.000 1.376 334 I HN 0.452 nan 8.210 nan 0.000 0.470 335 P HA 0.267 nan 4.420 nan 0.000 0.271 335 P C -0.097 177.161 177.300 -0.069 0.000 1.218 335 P CA 0.214 63.294 63.100 -0.033 0.000 0.780 335 P CB 1.221 32.950 31.700 0.049 0.000 0.901 336 G N 2.003 110.803 108.800 0.001 0.000 2.542 336 G HA2 0.126 3.949 3.960 -0.228 0.000 0.391 336 G HA3 0.126 3.949 3.960 -0.228 0.000 0.391 336 G C -0.278 174.626 174.900 0.006 0.000 1.551 336 G CA -0.393 44.701 45.100 -0.011 0.000 0.946 336 G HN 0.624 nan 8.290 nan 0.000 0.662 337 E N 0.908 121.116 120.200 0.013 0.000 2.714 337 E HA 0.272 4.485 4.350 -0.228 0.000 0.219 337 E C 1.210 177.818 176.600 0.014 0.000 0.979 337 E CA 0.133 56.536 56.400 0.006 0.000 1.092 337 E CB 0.145 29.841 29.700 -0.006 0.000 1.049 337 E HN 0.969 nan 8.360 nan 0.000 0.487 338 I N -3.166 117.418 120.570 0.023 0.000 3.947 338 I HA 0.595 4.628 4.170 -0.228 0.000 0.327 338 I C 1.000 177.154 176.117 0.062 0.000 1.519 338 I CA -0.081 61.243 61.300 0.039 0.000 1.122 338 I CB 0.855 38.871 38.000 0.025 0.000 1.146 338 I HN 0.092 nan 8.210 nan 0.000 0.442 339 G N 1.874 110.713 108.800 0.065 0.000 2.155 339 G HA2 -0.282 3.542 3.960 -0.228 0.000 0.257 339 G HA3 -0.282 3.542 3.960 -0.228 0.000 0.257 339 G C 0.170 175.110 174.900 0.066 0.000 0.983 339 G CA 0.600 45.749 45.100 0.082 0.000 0.676 339 G HN 0.806 nan 8.290 nan 0.000 0.528 340 E N 0.330 120.556 120.200 0.044 0.000 2.391 340 E HA 0.267 4.481 4.350 -0.228 0.000 0.255 340 E C 0.344 176.964 176.600 0.033 0.000 1.187 340 E CA -0.596 55.834 56.400 0.049 0.000 0.941 340 E CB 0.476 30.199 29.700 0.037 0.000 1.010 340 E HN 0.491 nan 8.360 nan 0.000 0.458 341 H N 0.605 119.659 119.070 -0.026 0.000 3.094 341 H HA 0.070 4.490 4.556 -0.226 0.000 0.320 341 H C -0.754 174.494 175.328 -0.133 0.000 1.000 341 H CA 0.803 56.816 56.048 -0.059 0.000 1.413 341 H CB 0.345 30.079 29.762 -0.047 0.000 1.405 341 H HN 0.257 nan 8.280 nan 0.000 0.586 342 K N 3.948 123.825 120.400 -0.871 0.000 2.270 342 K HA 0.155 4.338 4.320 -0.228 0.000 0.255 342 K C -1.047 174.814 176.600 -1.232 0.000 0.936 342 K CA -1.069 54.669 56.287 -0.915 0.000 0.809 342 K CB 1.499 33.441 32.500 -0.929 0.000 1.131 342 K HN 0.609 nan 8.250 nan 0.000 0.427 343 D N 2.550 122.489 120.400 -0.769 0.000 2.380 343 D HA 0.110 4.613 4.640 -0.228 0.000 0.230 343 D C -0.444 175.595 176.300 -0.435 0.000 1.154 343 D CA -0.360 53.374 54.000 -0.442 0.000 0.859 343 D CB 0.327 41.043 40.800 -0.140 0.000 1.045 343 D HN 0.318 nan 8.370 nan 0.000 0.495 344 F N 1.837 121.712 119.950 -0.124 0.000 2.660 344 F HA 0.130 4.519 4.527 -0.231 0.000 0.302 344 F C 2.319 178.059 175.800 -0.100 0.000 1.103 344 F CA -0.252 57.668 58.000 -0.134 0.000 1.340 344 F CB -0.121 38.789 39.000 -0.150 0.000 1.048 344 F HN 0.286 nan 8.300 nan 0.000 0.551 345 S N 0.517 116.259 115.700 0.070 0.000 2.370 345 S HA -0.238 4.096 4.470 -0.228 0.000 0.226 345 S C 2.461 177.087 174.600 0.043 0.000 1.033 345 S CA 1.404 59.636 58.200 0.055 0.000 1.011 345 S CB -0.334 62.892 63.200 0.044 0.000 0.852 345 S HN 0.437 nan 8.310 nan 0.000 0.457 346 A N 0.916 123.763 122.820 0.045 0.000 1.930 346 A HA 0.042 4.225 4.320 -0.228 0.000 0.217 346 A C 2.087 179.692 177.584 0.035 0.000 1.175 346 A CA 1.058 53.137 52.037 0.070 0.000 0.627 346 A CB -0.555 18.524 19.000 0.131 0.000 0.815 346 A HN 0.524 nan 8.150 nan 0.000 0.443 347 I N -0.567 119.919 120.570 -0.139 0.000 2.315 347 I HA -0.187 3.846 4.170 -0.228 0.000 0.248 347 I C 2.101 178.140 176.117 -0.130 0.000 1.117 347 I CA 1.159 62.231 61.300 -0.381 0.000 1.404 347 I CB -0.060 37.499 38.000 -0.735 0.000 1.071 347 I HN 0.344 nan 8.210 nan 0.000 0.419 348 I N 0.839 121.377 120.570 -0.054 0.000 2.202 348 I HA -0.262 3.771 4.170 -0.228 0.000 0.242 348 I C 2.740 178.873 176.117 0.025 0.000 1.091 348 I CA 1.282 62.573 61.300 -0.015 0.000 1.368 348 I CB -0.593 37.410 38.000 0.004 0.000 1.058 348 I HN 0.255 nan 8.210 nan 0.000 0.410 349 A N -0.177 122.671 122.820 0.046 0.000 1.902 349 A HA -0.305 3.878 4.320 -0.228 0.000 0.217 349 A C 2.220 179.873 177.584 0.114 0.000 1.181 349 A CA 1.968 54.042 52.037 0.062 0.000 0.623 349 A CB -1.213 17.817 19.000 0.051 0.000 0.818 349 A HN 0.544 nan 8.150 nan 0.000 0.443 350 H N -0.683 118.400 119.070 0.022 0.000 2.352 350 H HA -0.068 4.351 4.556 -0.227 0.000 0.299 350 H C 2.333 177.676 175.328 0.026 0.000 1.097 350 H CA 1.081 57.159 56.048 0.051 0.000 1.311 350 H CB -0.015 29.819 29.762 0.120 0.000 1.377 350 H HN 0.482 nan 8.280 nan 0.000 0.504 351 A N 1.146 124.029 122.820 0.106 0.000 1.940 351 A HA -0.197 3.986 4.320 -0.228 0.000 0.219 351 A C 2.189 179.791 177.584 0.030 0.000 1.176 351 A CA 1.768 53.814 52.037 0.016 0.000 0.631 351 A CB -0.352 18.642 19.000 -0.011 0.000 0.814 351 A HN 0.457 nan 8.150 nan 0.000 0.446 352 K N -0.529 119.898 120.400 0.045 0.000 2.280 352 K HA -0.094 4.089 4.320 -0.228 0.000 0.202 352 K C 1.775 178.396 176.600 0.035 0.000 1.047 352 K CA 1.539 57.843 56.287 0.030 0.000 0.942 352 K CB -0.273 32.243 32.500 0.027 0.000 0.739 352 K HN 0.747 nan 8.250 nan 0.000 0.457 353 T N -2.273 112.323 114.554 0.069 0.000 3.107 353 T HA 0.096 4.309 4.350 -0.228 0.000 0.249 353 T C 0.826 175.561 174.700 0.058 0.000 1.096 353 T CA -0.351 61.789 62.100 0.066 0.000 1.012 353 T CB -0.333 68.587 68.868 0.086 0.000 0.977 353 T HN -0.010 nan 8.240 nan 0.000 0.527 354 C N 2.499 121.822 119.300 0.038 0.000 2.365 354 C HA 0.669 4.992 4.460 -0.228 0.000 0.349 354 C C -2.097 172.857 174.990 -0.061 0.000 1.191 354 C CA -1.641 57.371 59.018 -0.010 0.000 2.114 354 C CB 1.167 28.877 27.740 -0.049 0.000 2.367 354 C HN 0.350 nan 8.230 nan 0.000 0.530 355 P HA 0.279 nan 4.420 nan 0.000 0.270 355 P C -0.426 176.760 177.300 -0.190 0.000 1.223 355 P CA 0.059 63.093 63.100 -0.110 0.000 0.785 355 P CB 0.333 31.971 31.700 -0.103 0.000 0.923 356 A N 3.225 125.940 122.820 -0.176 0.000 2.429 356 A HA 0.343 4.526 4.320 -0.228 0.000 0.242 356 A C -2.087 175.271 177.584 -0.376 0.000 1.088 356 A CA -0.877 51.015 52.037 -0.243 0.000 0.784 356 A CB -1.493 17.426 19.000 -0.134 0.000 1.038 356 A HN 0.416 nan 8.150 nan 0.000 0.501 357 P HA 0.170 nan 4.420 nan 0.000 0.269 357 P C -0.379 176.740 177.300 -0.301 0.000 1.209 357 P CA 0.257 62.930 63.100 -0.712 0.000 0.776 357 P CB 0.371 31.437 31.700 -1.057 0.000 0.876 358 T N 2.136 116.581 114.554 -0.181 0.000 2.780 358 T HA 0.136 4.349 4.350 -0.228 0.000 0.294 358 T C 0.125 174.886 174.700 0.102 0.000 0.949 358 T CA -0.357 61.725 62.100 -0.029 0.000 1.074 358 T CB 0.088 68.948 68.868 -0.013 0.000 0.910 358 T HN 0.386 nan 8.240 nan 0.000 0.501 359 E N 2.646 122.889 120.200 0.071 0.000 2.376 359 E HA 0.126 4.339 4.350 -0.228 0.000 0.266 359 E C 0.425 177.044 176.600 0.031 0.000 1.009 359 E CA -0.054 56.403 56.400 0.095 0.000 0.902 359 E CB 0.422 30.154 29.700 0.053 0.000 0.972 359 E HN 0.603 nan 8.360 nan 0.000 0.439 360 I N 3.215 123.757 120.570 -0.047 0.000 3.526 360 I HA 0.064 4.098 4.170 -0.228 0.000 0.294 360 I C 0.427 176.481 176.117 -0.105 0.000 1.229 360 I CA 0.276 61.497 61.300 -0.131 0.000 1.408 360 I CB 0.178 37.987 38.000 -0.318 0.000 1.127 360 I HN 0.592 nan 8.210 nan 0.000 0.439 361 E N 0.065 120.215 120.200 -0.084 0.000 2.422 361 E HA 0.435 4.648 4.350 -0.228 0.000 0.280 361 E C -1.228 175.359 176.600 -0.021 0.000 1.091 361 E CA -0.850 55.519 56.400 -0.053 0.000 0.849 361 E CB 1.536 31.194 29.700 -0.069 0.000 1.353 361 E HN -0.028 nan 8.360 nan 0.000 0.449 362 S N -0.478 115.217 115.700 -0.009 0.000 2.704 362 S HA 0.954 5.288 4.470 -0.228 0.000 0.296 362 S C 0.586 175.189 174.600 0.005 0.000 1.138 362 S CA -0.052 58.152 58.200 0.007 0.000 0.875 362 S CB 1.559 64.766 63.200 0.012 0.000 1.151 362 S HN 1.720 nan 8.310 nan 0.000 0.500 363 G N 0.284 109.090 108.800 0.010 0.000 2.451 363 G HA2 0.174 3.998 3.960 -0.228 0.000 0.208 363 G HA3 0.174 3.998 3.960 -0.228 0.000 0.208 363 G C -1.327 173.577 174.900 0.005 0.000 1.248 363 G CA -0.283 44.822 45.100 0.008 0.000 0.989 363 G HN 0.968 nan 8.290 nan 0.000 0.559 364 E N -0.958 119.246 120.200 0.006 0.000 2.433 364 E HA 0.650 4.863 4.350 -0.228 0.000 0.278 364 E C -0.321 176.287 176.600 0.014 0.000 0.976 364 E CA -0.530 55.872 56.400 0.003 0.000 0.793 364 E CB 2.469 32.172 29.700 0.005 0.000 1.311 364 E HN 0.976 nan 8.360 nan 0.000 0.460 365 I N -1.591 118.990 120.570 0.018 0.000 2.892 365 I HA 0.634 4.668 4.170 -0.228 0.000 0.306 365 I C -0.951 175.205 176.117 0.066 0.000 1.078 365 I CA -1.086 60.239 61.300 0.042 0.000 1.032 365 I CB 1.681 39.707 38.000 0.043 0.000 1.229 365 I HN 0.406 nan 8.210 nan 0.000 0.435 366 I N 2.463 123.082 120.570 0.082 0.000 2.493 366 I HA 0.830 4.864 4.170 -0.228 0.000 0.298 366 I C 0.394 176.562 176.117 0.085 0.000 0.998 366 I CA -0.323 61.029 61.300 0.087 0.000 1.137 366 I CB 1.838 39.904 38.000 0.111 0.000 1.310 366 I HN 0.946 nan 8.210 nan 0.000 0.445 367 G N 1.914 110.646 108.800 -0.112 0.000 2.634 367 G HA2 0.553 4.377 3.960 -0.228 0.000 0.309 367 G HA3 0.553 4.377 3.960 -0.228 0.000 0.309 367 G C -0.086 174.128 174.900 -1.143 0.000 1.299 367 G CA -0.131 44.672 45.100 -0.495 0.000 0.798 367 G HN 0.997 nan 8.290 nan 0.000 0.490 368 G N -1.728 106.205 108.800 -1.444 0.000 2.141 368 G HA2 -0.120 3.703 3.960 -0.228 0.000 0.164 368 G HA3 -0.120 3.703 3.960 -0.228 0.000 0.164 368 G C 0.068 174.603 174.900 -0.609 0.000 1.009 368 G CA 0.160 44.666 45.100 -0.989 0.000 0.677 368 G HN 0.841 nan 8.290 nan 0.000 0.508 369 F N 2.064 121.871 119.950 -0.237 0.000 2.752 369 F HA 0.651 5.039 4.527 -0.231 0.000 0.332 369 F C 1.375 177.145 175.800 -0.050 0.000 1.188 369 F CA 0.093 58.028 58.000 -0.109 0.000 1.296 369 F CB 0.058 39.016 39.000 -0.071 0.000 1.526 369 F HN 0.406 nan 8.300 nan 0.000 0.576 370 A N -0.183 122.650 122.820 0.021 0.000 2.275 370 A HA 0.265 4.448 4.320 -0.228 0.000 0.282 370 A C 1.451 179.047 177.584 0.020 0.000 1.275 370 A CA 0.046 52.109 52.037 0.044 0.000 0.842 370 A CB 0.036 19.034 19.000 -0.003 0.000 1.280 370 A HN 0.697 nan 8.150 nan 0.000 0.508 371 H N -0.834 118.276 119.070 0.067 0.000 2.353 371 H HA -0.116 4.301 4.556 -0.231 0.000 0.300 371 H C 1.650 176.965 175.328 -0.022 0.000 1.090 371 H CA 1.681 57.741 56.048 0.019 0.000 1.327 371 H CB -0.270 29.496 29.762 0.007 0.000 1.383 371 H HN 0.658 nan 8.280 nan 0.000 0.508 372 N N 0.185 118.681 118.700 -0.340 0.000 2.104 372 N HA -0.253 4.350 4.740 -0.228 0.000 0.190 372 N C 2.031 177.446 175.510 -0.158 0.000 1.024 372 N CA 1.639 54.514 53.050 -0.291 0.000 0.853 372 N CB -0.039 38.043 38.487 -0.674 0.000 1.008 372 N HN 0.476 nan 8.380 nan 0.000 0.424 373 Q N 0.820 120.537 119.800 -0.137 0.000 2.079 373 Q HA -0.030 4.173 4.340 -0.228 0.000 0.200 373 Q C 2.024 178.020 176.000 -0.006 0.000 0.974 373 Q CA 1.421 57.164 55.803 -0.099 0.000 0.840 373 Q CB -0.301 28.331 28.738 -0.177 0.000 0.898 373 Q HN 0.200 nan 8.270 nan 0.000 0.430 374 V N 0.483 120.427 119.914 0.050 0.000 2.358 374 V HA -0.201 3.782 4.120 -0.228 0.000 0.246 374 V C 2.282 178.402 176.094 0.044 0.000 1.047 374 V CA 1.416 63.775 62.300 0.098 0.000 1.035 374 V CB -0.564 31.325 31.823 0.109 0.000 0.658 374 V HN 0.396 nan 8.190 nan 0.000 0.452 375 L N 0.278 121.514 121.223 0.021 0.000 2.131 375 L HA -0.144 4.059 4.340 -0.228 0.000 0.210 375 L C 2.689 179.554 176.870 -0.009 0.000 1.092 375 L CA 1.665 56.506 54.840 0.002 0.000 0.759 375 L CB -1.002 41.060 42.059 0.006 0.000 0.903 375 L HN 0.406 nan 8.230 nan 0.000 0.435 376 A N -0.049 122.761 122.820 -0.016 0.000 2.067 376 A HA -0.080 4.103 4.320 -0.228 0.000 0.219 376 A C 2.044 179.630 177.584 0.003 0.000 1.158 376 A CA 1.090 53.116 52.037 -0.018 0.000 0.661 376 A CB -0.341 18.639 19.000 -0.034 0.000 0.801 376 A HN 0.439 nan 8.150 nan 0.000 0.452 377 L N -1.314 119.924 121.223 0.025 0.000 2.640 377 L HA 0.185 4.388 4.340 -0.228 0.000 0.230 377 L C 2.511 179.402 176.870 0.034 0.000 1.123 377 L CA 0.331 55.198 54.840 0.044 0.000 0.900 377 L CB -0.122 41.993 42.059 0.094 0.000 1.146 377 L HN 0.357 nan 8.230 nan 0.000 0.484 378 A N 0.577 123.405 122.820 0.012 0.000 1.892 378 A HA -0.253 3.931 4.320 -0.228 0.000 0.218 378 A C 1.863 179.439 177.584 -0.014 0.000 1.188 378 A CA 2.141 54.175 52.037 -0.005 0.000 0.631 378 A CB -0.353 18.628 19.000 -0.031 0.000 0.822 378 A HN 0.332 nan 8.150 nan 0.000 0.447 379 D N -0.195 120.194 120.400 -0.019 0.000 2.123 379 D HA -0.128 4.375 4.640 -0.228 0.000 0.196 379 D C 1.879 178.179 176.300 0.001 0.000 0.992 379 D CA 1.251 55.236 54.000 -0.024 0.000 0.833 379 D CB -0.148 40.640 40.800 -0.020 0.000 0.954 379 D HN 0.262 nan 8.370 nan 0.000 0.455 380 K N 0.429 120.840 120.400 0.019 0.000 2.103 380 K HA 0.004 4.187 4.320 -0.228 0.000 0.204 380 K C 2.273 178.908 176.600 0.058 0.000 1.052 380 K CA 0.183 56.491 56.287 0.034 0.000 0.945 380 K CB -0.700 31.823 32.500 0.038 0.000 0.722 380 K HN 0.120 nan 8.250 nan 0.000 0.443 381 V N 2.030 121.990 119.914 0.076 0.000 2.307 381 V HA -0.210 3.773 4.120 -0.228 0.000 0.245 381 V C 2.341 178.535 176.094 0.166 0.000 1.045 381 V CA 1.232 63.615 62.300 0.139 0.000 1.024 381 V CB -0.367 31.550 31.823 0.157 0.000 0.651 381 V HN 0.126 nan 8.190 nan 0.000 0.449 382 I N 0.411 121.039 120.570 0.097 0.000 2.163 382 I HA -0.219 3.815 4.170 -0.228 0.000 0.243 382 I C 2.308 178.500 176.117 0.126 0.000 1.085 382 I CA 1.743 63.092 61.300 0.082 0.000 1.347 382 I CB -1.316 36.599 38.000 -0.141 0.000 1.044 382 I HN 0.352 nan 8.210 nan 0.000 0.408 383 D N 0.935 121.376 120.400 0.068 0.000 2.144 383 D HA -0.111 4.392 4.640 -0.228 0.000 0.199 383 D C 2.244 178.588 176.300 0.073 0.000 0.984 383 D CA 1.521 55.558 54.000 0.063 0.000 0.834 383 D CB -0.039 40.782 40.800 0.035 0.000 0.955 383 D HN 0.323 nan 8.370 nan 0.000 0.465 384 A N 0.378 123.242 122.820 0.074 0.000 1.968 384 A HA -0.081 4.102 4.320 -0.228 0.000 0.217 384 A C 2.482 180.096 177.584 0.051 0.000 1.169 384 A CA 0.853 52.918 52.037 0.047 0.000 0.638 384 A CB -0.501 18.517 19.000 0.031 0.000 0.812 384 A HN 0.137 nan 8.150 nan 0.000 0.446 385 V N 0.170 120.159 119.914 0.124 0.000 2.307 385 V HA -0.245 3.738 4.120 -0.228 0.000 0.245 385 V C 2.405 178.565 176.094 0.110 0.000 1.045 385 V CA 2.267 64.644 62.300 0.128 0.000 1.024 385 V CB -0.636 31.366 31.823 0.299 0.000 0.651 385 V HN 0.527 nan 8.190 nan 0.000 0.449 386 K N 0.849 121.351 120.400 0.171 0.000 2.097 386 K HA -0.146 4.037 4.320 -0.228 0.000 0.206 386 K C 2.245 178.884 176.600 0.065 0.000 1.049 386 K CA 1.742 58.110 56.287 0.134 0.000 0.933 386 K CB -0.306 32.289 32.500 0.158 0.000 0.717 386 K HN 0.621 nan 8.250 nan 0.000 0.442 387 S N -0.784 114.945 115.700 0.048 0.000 2.562 387 S HA 0.063 4.397 4.470 -0.228 0.000 0.221 387 S C 1.450 176.052 174.600 0.002 0.000 0.975 387 S CA 0.599 58.812 58.200 0.021 0.000 0.918 387 S CB 0.254 63.464 63.200 0.016 0.000 0.772 387 S HN 0.453 nan 8.310 nan 0.000 0.531 388 G N 0.596 109.394 108.800 -0.004 0.000 2.179 388 G HA2 -0.266 3.557 3.960 -0.228 0.000 0.260 388 G HA3 -0.266 3.557 3.960 -0.228 0.000 0.260 388 G C 1.048 175.919 174.900 -0.047 0.000 0.977 388 G CA 0.292 45.375 45.100 -0.028 0.000 0.641 388 G HN 1.193 nan 8.290 nan 0.000 0.533 389 A N -0.395 122.401 122.820 -0.040 0.000 1.908 389 A HA 0.353 4.536 4.320 -0.228 0.000 0.218 389 A C 1.294 178.820 177.584 -0.096 0.000 1.181 389 A CA 1.491 53.494 52.037 -0.056 0.000 0.627 389 A CB -0.099 18.878 19.000 -0.038 0.000 0.818 389 A HN 0.895 nan 8.150 nan 0.000 0.445 390 I N -0.025 120.474 120.570 -0.119 0.000 2.328 390 I HA 0.174 4.208 4.170 -0.228 0.000 0.287 390 I C 0.621 176.611 176.117 -0.212 0.000 1.012 390 I CA -0.575 60.588 61.300 -0.228 0.000 1.195 390 I CB 1.631 39.418 38.000 -0.356 0.000 1.350 390 I HN 0.052 nan 8.210 nan 0.000 0.464 391 K N 3.771 124.055 120.400 -0.193 0.000 2.211 391 K HA 0.152 4.335 4.320 -0.228 0.000 0.201 391 K C 0.372 176.902 176.600 -0.118 0.000 1.052 391 K CA 0.743 56.952 56.287 -0.130 0.000 0.973 391 K CB 0.124 32.559 32.500 -0.107 0.000 0.766 391 K HN 0.351 nan 8.250 nan 0.000 0.466 392 K N -0.637 119.649 120.400 -0.191 0.000 2.562 392 K HA 0.319 4.503 4.320 -0.228 0.000 0.267 392 K C -1.693 174.752 176.600 -0.259 0.000 0.938 392 K CA -0.372 55.863 56.287 -0.087 0.000 0.840 392 K CB 0.977 33.589 32.500 0.186 0.000 1.390 392 K HN -0.230 nan 8.250 nan 0.000 0.428 393 F N 1.700 121.671 119.950 0.035 0.000 2.422 393 F HA 0.571 4.961 4.527 -0.227 0.000 0.333 393 F C -0.165 175.637 175.800 0.003 0.000 1.095 393 F CA -0.816 57.184 58.000 -0.000 0.000 1.038 393 F CB 1.681 40.656 39.000 -0.042 0.000 1.156 393 F HN -0.015 nan 8.300 nan 0.000 0.483 394 V N 3.662 123.694 119.914 0.197 0.000 2.376 394 V HA 0.281 4.264 4.120 -0.228 0.000 0.287 394 V C -0.453 175.686 176.094 0.076 0.000 1.015 394 V CA -0.911 61.478 62.300 0.147 0.000 0.834 394 V CB 1.405 33.402 31.823 0.289 0.000 1.001 394 V HN 0.500 nan 8.190 nan 0.000 0.428 395 V N 6.938 126.835 119.914 -0.029 0.000 2.405 395 V HA 0.243 4.226 4.120 -0.228 0.000 0.264 395 V C 0.755 176.920 176.094 0.119 0.000 1.048 395 V CA 0.376 62.695 62.300 0.032 0.000 0.966 395 V CB 0.925 32.751 31.823 0.006 0.000 1.015 395 V HN 0.900 nan 8.190 nan 0.000 0.477 396 M N 3.998 123.679 119.600 0.135 0.000 2.589 396 M HA 0.349 4.692 4.480 -0.228 0.000 0.344 396 M C 0.790 177.241 176.300 0.252 0.000 1.168 396 M CA -0.195 55.209 55.300 0.172 0.000 0.956 396 M CB 0.772 33.395 32.600 0.038 0.000 1.370 396 M HN 0.678 nan 8.290 nan 0.000 0.518 397 A N 0.772 123.727 122.820 0.225 0.000 2.409 397 A HA 0.675 4.859 4.320 -0.228 0.000 0.246 397 A C 0.903 178.610 177.584 0.204 0.000 1.099 397 A CA 0.934 53.106 52.037 0.224 0.000 0.789 397 A CB -0.101 19.026 19.000 0.212 0.000 1.053 397 A HN 0.641 nan 8.150 nan 0.000 0.503 398 G N -1.920 107.009 108.800 0.215 0.000 2.236 398 G HA2 0.270 4.093 3.960 -0.228 0.000 0.231 398 G HA3 0.270 4.093 3.960 -0.228 0.000 0.231 398 G C -0.801 174.246 174.900 0.245 0.000 1.334 398 G CA -0.206 45.032 45.100 0.230 0.000 1.137 398 G HN 1.530 nan 8.290 nan 0.000 0.482 399 C N 0.443 119.899 119.300 0.260 0.000 2.441 399 C HA 0.744 5.067 4.460 -0.228 0.000 0.318 399 C C 0.117 175.266 174.990 0.265 0.000 1.222 399 C CA -0.533 58.675 59.018 0.317 0.000 1.474 399 C CB 1.087 29.061 27.740 0.391 0.000 2.125 399 C HN 0.821 nan 8.230 nan 0.000 0.479 400 D N 0.315 120.895 120.400 0.300 0.000 2.411 400 D HA 0.704 5.207 4.640 -0.228 0.000 0.251 400 D C 0.368 176.744 176.300 0.127 0.000 1.201 400 D CA 0.650 54.761 54.000 0.186 0.000 0.996 400 D CB 1.401 42.352 40.800 0.251 0.000 1.101 400 D HN 0.880 nan 8.370 nan 0.000 0.504 401 G N -0.644 107.978 108.800 -0.297 0.000 2.554 401 G HA2 0.217 4.040 3.960 -0.228 0.000 0.306 401 G HA3 0.217 4.040 3.960 -0.228 0.000 0.306 401 G C 0.085 174.129 174.900 -1.428 0.000 1.320 401 G CA -0.593 44.095 45.100 -0.687 0.000 0.800 401 G HN 0.384 nan 8.290 nan 0.000 0.481 402 R N -0.138 119.675 120.500 -1.145 0.000 2.193 402 R HA 0.272 4.476 4.340 -0.228 0.000 0.213 402 R C 1.510 177.319 176.300 -0.818 0.000 1.055 402 R CA 0.733 56.104 56.100 -1.215 0.000 0.995 402 R CB -0.133 29.859 30.300 -0.513 0.000 0.893 402 R HN 0.579 nan 8.270 nan 0.000 0.459 403 A N 2.055 124.577 122.820 -0.497 0.000 2.567 403 A HA -0.085 4.098 4.320 -0.228 0.000 0.240 403 A C 1.164 178.595 177.584 -0.255 0.000 1.053 403 A CA 0.155 52.027 52.037 -0.276 0.000 0.755 403 A CB 0.234 19.141 19.000 -0.155 0.000 0.978 403 A HN 0.288 nan 8.150 nan 0.000 0.507 404 K N 2.165 122.463 120.400 -0.170 0.000 2.113 404 K HA -0.205 3.978 4.320 -0.228 0.000 0.208 404 K C 2.018 178.589 176.600 -0.050 0.000 1.047 404 K CA 2.062 58.287 56.287 -0.104 0.000 0.928 404 K CB -0.179 32.285 32.500 -0.060 0.000 0.716 404 K HN 0.909 nan 8.250 nan 0.000 0.446 405 S N 0.344 116.021 115.700 -0.039 0.000 2.440 405 S HA -0.130 4.203 4.470 -0.228 0.000 0.238 405 S C 1.625 176.253 174.600 0.047 0.000 1.010 405 S CA 0.819 59.019 58.200 -0.001 0.000 0.972 405 S CB -0.337 62.853 63.200 -0.017 0.000 0.774 405 S HN 0.371 nan 8.310 nan 0.000 0.501 406 R N 1.692 122.227 120.500 0.058 0.000 2.328 406 R HA 0.025 4.229 4.340 -0.228 0.000 0.207 406 R C 2.444 178.887 176.300 0.238 0.000 1.056 406 R CA 0.897 57.127 56.100 0.218 0.000 1.016 406 R CB -0.507 29.881 30.300 0.147 0.000 0.872 406 R HN 0.754 nan 8.270 nan 0.000 0.471 407 S N 0.175 115.954 115.700 0.132 0.000 2.419 407 S HA -0.278 4.056 4.470 -0.228 0.000 0.235 407 S C 1.781 176.464 174.600 0.138 0.000 1.019 407 S CA 1.004 59.282 58.200 0.130 0.000 0.982 407 S CB -0.541 62.705 63.200 0.077 0.000 0.789 407 S HN 0.529 nan 8.310 nan 0.000 0.490 408 Y N 1.861 122.140 120.300 -0.036 0.000 2.139 408 Y HA -0.311 4.102 4.550 -0.229 0.000 0.282 408 Y C 1.941 177.777 175.900 -0.107 0.000 1.179 408 Y CA 1.890 59.905 58.100 -0.142 0.000 1.161 408 Y CB -0.745 37.504 38.460 -0.352 0.000 0.970 408 Y HN 0.271 nan 8.280 nan 0.000 0.511 409 Y N -0.368 120.117 120.300 0.309 0.000 2.263 409 Y HA -0.164 4.256 4.550 -0.216 0.000 0.292 409 Y C 2.671 178.733 175.900 0.269 0.000 1.130 409 Y CA 1.736 60.009 58.100 0.288 0.000 1.179 409 Y CB -1.020 37.677 38.460 0.394 0.000 0.998 409 Y HN 0.069 nan 8.280 nan 0.000 0.532 410 T N -0.244 114.519 114.554 0.348 0.000 2.708 410 T HA -0.168 4.045 4.350 -0.228 0.000 0.266 410 T C 1.276 176.061 174.700 0.142 0.000 1.037 410 T CA 1.766 64.024 62.100 0.263 0.000 1.146 410 T CB -0.379 68.604 68.868 0.191 0.000 0.865 410 T HN 0.276 nan 8.240 nan 0.000 0.435 411 D N 0.368 120.801 120.400 0.056 0.000 2.144 411 D HA -0.006 4.497 4.640 -0.228 0.000 0.200 411 D C 1.677 177.928 176.300 -0.082 0.000 0.978 411 D CA 0.544 54.528 54.000 -0.026 0.000 0.833 411 D CB -0.476 40.291 40.800 -0.056 0.000 0.961 411 D HN 0.318 nan 8.370 nan 0.000 0.470 412 F N 1.755 121.523 119.950 -0.304 0.000 2.102 412 F HA -0.158 4.235 4.527 -0.224 0.000 0.298 412 F C 2.245 177.952 175.800 -0.154 0.000 1.105 412 F CA 1.599 59.401 58.000 -0.329 0.000 1.239 412 F CB -0.241 38.433 39.000 -0.543 0.000 0.991 412 F HN -0.054 nan 8.300 nan 0.000 0.474 413 A N -0.177 122.729 122.820 0.144 0.000 1.883 413 A HA -0.263 3.920 4.320 -0.228 0.000 0.217 413 A C 2.057 179.614 177.584 -0.046 0.000 1.186 413 A CA 1.974 54.034 52.037 0.040 0.000 0.624 413 A CB -1.030 18.015 19.000 0.075 0.000 0.822 413 A HN 0.475 nan 8.150 nan 0.000 0.444 414 E N -0.156 120.030 120.200 -0.022 0.000 2.110 414 E HA -0.050 4.163 4.350 -0.228 0.000 0.193 414 E C 1.824 178.354 176.600 -0.117 0.000 0.988 414 E CA 1.410 57.781 56.400 -0.047 0.000 0.804 414 E CB -0.604 29.085 29.700 -0.019 0.000 0.745 414 E HN 0.435 nan 8.360 nan 0.000 0.458 415 G N -0.239 108.452 108.800 -0.183 0.000 2.813 415 G HA2 0.039 3.863 3.960 -0.228 0.000 0.209 415 G HA3 0.039 3.863 3.960 -0.228 0.000 0.209 415 G C 0.377 175.083 174.900 -0.324 0.000 1.150 415 G CA -0.321 44.634 45.100 -0.241 0.000 0.785 415 G HN 0.158 nan 8.290 nan 0.000 0.535 416 L N 1.540 122.546 121.223 -0.361 0.000 2.485 416 L HA 0.168 4.371 4.340 -0.228 0.000 0.275 416 L C -1.706 174.987 176.870 -0.295 0.000 1.207 416 L CA -1.475 53.129 54.840 -0.394 0.000 0.855 416 L CB 0.675 42.555 42.059 -0.300 0.000 1.114 416 L HN -0.000 nan 8.230 nan 0.000 0.485 417 P HA 0.026 nan 4.420 nan 0.000 0.269 417 P C -0.328 176.854 177.300 -0.198 0.000 1.215 417 P CA -0.153 62.798 63.100 -0.247 0.000 0.780 417 P CB 0.444 31.977 31.700 -0.277 0.000 0.898 418 K N 0.900 121.209 120.400 -0.153 0.000 2.551 418 K HA -0.046 4.138 4.320 -0.228 0.000 0.192 418 K C 0.225 176.751 176.600 -0.124 0.000 1.027 418 K CA 0.703 56.916 56.287 -0.124 0.000 1.059 418 K CB -0.252 32.189 32.500 -0.097 0.000 0.831 418 K HN 0.536 nan 8.250 nan 0.000 0.508 419 D N -0.123 120.189 120.400 -0.146 0.000 2.388 419 D HA -0.045 4.458 4.640 -0.228 0.000 0.221 419 D C 0.140 176.331 176.300 -0.183 0.000 1.133 419 D CA -0.214 53.697 54.000 -0.148 0.000 0.831 419 D CB 0.070 40.789 40.800 -0.135 0.000 0.962 419 D HN -0.050 nan 8.370 nan 0.000 0.502 420 T N -2.655 111.789 114.554 -0.183 0.000 2.912 420 T HA 0.678 4.891 4.350 -0.228 0.000 0.288 420 T C -0.355 174.246 174.700 -0.165 0.000 1.030 420 T CA -0.871 61.117 62.100 -0.186 0.000 1.020 420 T CB 2.132 70.913 68.868 -0.144 0.000 1.056 420 T HN -0.127 nan 8.240 nan 0.000 0.480 421 V N 2.780 122.587 119.914 -0.180 0.000 2.487 421 V HA 0.446 4.429 4.120 -0.228 0.000 0.298 421 V C -0.096 176.013 176.094 0.024 0.000 1.028 421 V CA -0.975 61.270 62.300 -0.092 0.000 0.860 421 V CB 1.496 33.260 31.823 -0.099 0.000 0.991 421 V HN 0.876 nan 8.190 nan 0.000 0.427 422 I N 5.641 126.214 120.570 0.005 0.000 2.371 422 I HA 0.334 4.367 4.170 -0.228 0.000 0.290 422 I C -0.396 175.751 176.117 0.051 0.000 1.028 422 I CA -0.127 61.178 61.300 0.009 0.000 1.345 422 I CB 0.939 38.873 38.000 -0.110 0.000 1.407 422 I HN 0.344 nan 8.210 nan 0.000 0.501 423 L N 6.183 127.457 121.223 0.085 0.000 2.282 423 L HA 0.556 4.760 4.340 -0.228 0.000 0.288 423 L C 0.068 177.015 176.870 0.127 0.000 1.033 423 L CA -0.171 54.722 54.840 0.089 0.000 0.807 423 L CB 1.661 43.759 42.059 0.065 0.000 1.209 423 L HN 0.563 nan 8.230 nan 0.000 0.423 424 T N 1.934 116.586 114.554 0.163 0.000 2.865 424 T HA 0.913 5.127 4.350 -0.228 0.000 0.294 424 T C -1.644 173.176 174.700 0.199 0.000 1.119 424 T CA -0.339 61.894 62.100 0.220 0.000 1.007 424 T CB 2.042 71.112 68.868 0.337 0.000 1.225 424 T HN 0.792 nan 8.240 nan 0.000 0.515 425 A N 0.571 123.513 122.820 0.204 0.000 2.583 425 A HA 0.727 4.911 4.320 -0.228 0.000 0.298 425 A C 0.091 177.798 177.584 0.206 0.000 1.055 425 A CA 0.192 52.350 52.037 0.203 0.000 0.714 425 A CB 0.502 19.625 19.000 0.206 0.000 1.277 425 A HN 2.261 nan 8.150 nan 0.000 0.406 426 G N -0.913 108.013 108.800 0.210 0.000 2.746 426 G HA2 0.148 3.971 3.960 -0.228 0.000 0.685 426 G HA3 0.148 3.971 3.960 -0.228 0.000 0.685 426 G C 0.995 176.015 174.900 0.200 0.000 1.350 426 G CA -0.002 45.242 45.100 0.242 0.000 0.837 426 G HN 2.561 nan 8.290 nan 0.000 0.564 427 C N -0.159 119.306 119.300 0.276 0.000 2.491 427 C HA 0.477 4.801 4.460 -0.228 0.000 0.277 427 C C 3.076 178.225 174.990 0.266 0.000 1.455 427 C CA 1.053 60.277 59.018 0.343 0.000 1.758 427 C CB -1.637 26.375 27.740 0.454 0.000 1.745 427 C HN 2.181 nan 8.230 nan 0.000 0.558 428 A N 2.906 125.834 122.820 0.180 0.000 2.032 428 A HA -0.231 3.952 4.320 -0.228 0.000 0.221 428 A C 2.355 179.867 177.584 -0.120 0.000 1.165 428 A CA 2.116 54.199 52.037 0.077 0.000 0.645 428 A CB -0.690 18.363 19.000 0.088 0.000 0.807 428 A HN 0.906 nan 8.150 nan 0.000 0.453 429 K N -1.628 118.656 120.400 -0.193 0.000 2.211 429 K HA -0.213 3.970 4.320 -0.228 0.000 0.204 429 K C 1.432 177.576 176.600 -0.759 0.000 1.047 429 K CA 1.819 57.769 56.287 -0.563 0.000 0.935 429 K CB -0.626 31.662 32.500 -0.353 0.000 0.728 429 K HN 0.469 nan 8.250 nan 0.000 0.452 430 Y N 1.291 121.414 120.300 -0.296 0.000 2.574 430 Y HA 0.041 4.448 4.550 -0.238 0.000 0.294 430 Y C 2.120 177.895 175.900 -0.208 0.000 1.142 430 Y CA 0.499 58.469 58.100 -0.217 0.000 1.314 430 Y CB 0.010 38.382 38.460 -0.147 0.000 0.991 430 Y HN 0.014 nan 8.280 nan 0.000 0.555 431 R N -0.347 120.054 120.500 -0.165 0.000 2.280 431 R HA -0.095 4.108 4.340 -0.228 0.000 0.207 431 R C 0.229 176.546 176.300 0.029 0.000 1.043 431 R CA 1.065 57.170 56.100 0.008 0.000 1.006 431 R CB -0.359 30.058 30.300 0.194 0.000 0.885 431 R HN 0.654 nan 8.270 nan 0.000 0.467 432 Y N -2.638 117.738 120.300 0.127 0.000 2.795 432 Y HA 0.251 4.663 4.550 -0.229 0.000 0.274 432 Y C 0.647 176.582 175.900 0.057 0.000 1.035 432 Y CA -1.017 57.141 58.100 0.096 0.000 1.252 432 Y CB -0.792 37.738 38.460 0.117 0.000 1.399 432 Y HN -0.124 nan 8.280 nan 0.000 0.579 433 N N 0.794 119.450 118.700 -0.074 0.000 2.398 433 N HA -0.006 4.597 4.740 -0.228 0.000 0.188 433 N C 0.536 176.060 175.510 0.025 0.000 1.122 433 N CA 0.274 53.322 53.050 -0.003 0.000 0.866 433 N CB 0.044 38.449 38.487 -0.136 0.000 0.970 433 N HN 0.244 nan 8.380 nan 0.000 0.462 434 K N 0.324 120.748 120.400 0.040 0.000 2.387 434 K HA 0.310 4.493 4.320 -0.228 0.000 0.203 434 K C 0.308 176.936 176.600 0.046 0.000 1.030 434 K CA -0.185 56.126 56.287 0.039 0.000 1.099 434 K CB 0.962 33.482 32.500 0.033 0.000 0.863 434 K HN 0.222 nan 8.250 nan 0.000 0.529 435 L N 0.801 122.066 121.223 0.069 0.000 2.469 435 L HA 0.259 4.462 4.340 -0.228 0.000 0.253 435 L C 0.495 177.394 176.870 0.048 0.000 1.143 435 L CA -0.817 54.062 54.840 0.064 0.000 0.804 435 L CB 0.328 42.443 42.059 0.092 0.000 1.214 435 L HN -0.053 nan 8.230 nan 0.000 0.476 436 N N 0.652 119.372 118.700 0.032 0.000 2.816 436 N HA 0.278 4.881 4.740 -0.228 0.000 0.236 436 N C -0.068 175.449 175.510 0.011 0.000 1.076 436 N CA -0.126 52.936 53.050 0.020 0.000 0.902 436 N CB 0.354 38.848 38.487 0.011 0.000 1.149 436 N HN 0.559 nan 8.380 nan 0.000 0.506 437 L N 1.288 122.520 121.223 0.015 0.000 2.585 437 L HA 0.406 4.609 4.340 -0.228 0.000 0.226 437 L C 1.352 178.211 176.870 -0.018 0.000 1.113 437 L CA 0.260 55.099 54.840 -0.002 0.000 0.876 437 L CB -0.660 41.404 42.059 0.007 0.000 1.072 437 L HN 0.698 nan 8.230 nan 0.000 0.468 438 G N 1.655 110.449 108.800 -0.011 0.000 2.584 438 G HA2 -0.260 3.563 3.960 -0.228 0.000 0.229 438 G HA3 -0.260 3.563 3.960 -0.228 0.000 0.229 438 G C -0.910 173.975 174.900 -0.024 0.000 1.320 438 G CA 0.007 45.097 45.100 -0.018 0.000 0.891 438 G HN 0.521 nan 8.290 nan 0.000 0.573 439 D N -1.905 118.477 120.400 -0.031 0.000 2.583 439 D HA 0.658 5.161 4.640 -0.228 0.000 0.248 439 D C -0.613 175.661 176.300 -0.045 0.000 1.209 439 D CA -0.970 53.009 54.000 -0.036 0.000 0.848 439 D CB 1.502 42.291 40.800 -0.019 0.000 1.431 439 D HN 0.708 nan 8.370 nan 0.000 0.436 440 I N 0.963 121.502 120.570 -0.051 0.000 2.411 440 I HA 0.492 4.526 4.170 -0.228 0.000 0.284 440 I C 0.952 177.048 176.117 -0.035 0.000 1.012 440 I CA -0.730 60.538 61.300 -0.053 0.000 1.119 440 I CB 1.634 39.587 38.000 -0.079 0.000 1.261 440 I HN 0.906 nan 8.210 nan 0.000 0.448 441 G N 4.360 113.145 108.800 -0.025 0.000 2.321 441 G HA2 -0.176 3.647 3.960 -0.228 0.000 0.287 441 G HA3 -0.176 3.647 3.960 -0.228 0.000 0.287 441 G C 1.027 175.926 174.900 -0.002 0.000 1.018 441 G CA 0.741 45.834 45.100 -0.012 0.000 0.855 441 G HN 1.417 nan 8.290 nan 0.000 0.507 442 G N -1.509 107.290 108.800 -0.003 0.000 2.241 442 G HA2 -0.270 3.553 3.960 -0.228 0.000 0.244 442 G HA3 -0.270 3.553 3.960 -0.228 0.000 0.244 442 G C 0.495 175.404 174.900 0.015 0.000 0.998 442 G CA 0.267 45.374 45.100 0.011 0.000 0.621 442 G HN 1.303 nan 8.290 nan 0.000 0.519 443 I N 3.291 123.858 120.570 -0.004 0.000 2.396 443 I HA 0.256 4.289 4.170 -0.228 0.000 0.289 443 I C -1.795 174.278 176.117 -0.073 0.000 1.056 443 I CA -1.979 59.302 61.300 -0.032 0.000 1.365 443 I CB 1.029 39.007 38.000 -0.038 0.000 1.407 443 I HN -0.088 nan 8.210 nan 0.000 0.509 444 P HA 0.060 nan 4.420 nan 0.000 0.267 444 P C 0.177 177.401 177.300 -0.127 0.000 1.200 444 P CA -0.079 62.964 63.100 -0.095 0.000 0.772 444 P CB 0.489 32.138 31.700 -0.084 0.000 0.855 445 R N 0.835 121.290 120.500 -0.076 0.000 2.307 445 R HA 0.087 4.290 4.340 -0.228 0.000 0.199 445 R C -0.166 176.102 176.300 -0.053 0.000 1.000 445 R CA 0.478 56.535 56.100 -0.072 0.000 1.023 445 R CB 0.039 30.303 30.300 -0.061 0.000 0.908 445 R HN 0.306 nan 8.270 nan 0.000 0.473 446 V N 2.173 122.062 119.914 -0.042 0.000 2.407 446 V HA 0.292 4.276 4.120 -0.228 0.000 0.291 446 V C -0.439 175.610 176.094 -0.076 0.000 1.018 446 V CA -0.597 61.704 62.300 0.001 0.000 0.842 446 V CB 1.974 33.861 31.823 0.106 0.000 0.996 446 V HN 0.098 nan 8.190 nan 0.000 0.426 447 L N 4.121 125.278 121.223 -0.110 0.000 2.295 447 L HA 0.514 4.718 4.340 -0.228 0.000 0.281 447 L C -0.509 176.394 176.870 0.055 0.000 1.018 447 L CA -0.386 54.310 54.840 -0.239 0.000 0.841 447 L CB 1.480 43.292 42.059 -0.411 0.000 1.218 447 L HN 0.555 nan 8.230 nan 0.000 0.424 448 D N 2.559 123.068 120.400 0.181 0.000 2.380 448 D HA 0.324 4.827 4.640 -0.228 0.000 0.230 448 D C 0.724 177.151 176.300 0.213 0.000 1.154 448 D CA -0.211 53.909 54.000 0.200 0.000 0.859 448 D CB 2.051 42.972 40.800 0.202 0.000 1.045 448 D HN 0.559 nan 8.370 nan 0.000 0.495 449 A N 2.870 125.818 122.820 0.214 0.000 2.123 449 A HA 0.511 4.694 4.320 -0.228 0.000 0.214 449 A C 1.323 179.059 177.584 0.253 0.000 1.152 449 A CA 1.108 53.267 52.037 0.203 0.000 0.728 449 A CB -0.197 18.913 19.000 0.183 0.000 0.814 449 A HN 0.827 nan 8.150 nan 0.000 0.464 450 G N -1.415 107.571 108.800 0.310 0.000 2.217 450 G HA2 0.027 3.851 3.960 -0.228 0.000 0.126 450 G HA3 0.027 3.851 3.960 -0.228 0.000 0.126 450 G C -0.665 174.386 174.900 0.252 0.000 1.293 450 G CA -0.280 45.025 45.100 0.342 0.000 1.219 450 G HN 0.378 nan 8.290 nan 0.000 0.477 451 Q N -0.281 119.664 119.800 0.241 0.000 2.407 451 Q HA 0.358 4.562 4.340 -0.228 0.000 0.214 451 Q C 2.132 178.289 176.000 0.261 0.000 1.043 451 Q CA -0.030 55.920 55.803 0.245 0.000 0.983 451 Q CB 1.013 29.918 28.738 0.278 0.000 1.211 451 Q HN 1.033 nan 8.270 nan 0.000 0.564 452 C N -0.434 119.066 119.300 0.333 0.000 2.413 452 C HA -0.153 4.170 4.460 -0.228 0.000 0.277 452 C C 1.811 176.941 174.990 0.233 0.000 1.265 452 C CA 0.834 60.046 59.018 0.324 0.000 1.752 452 C CB -1.437 26.551 27.740 0.413 0.000 1.998 452 C HN 0.881 nan 8.230 nan 0.000 0.489 453 N N 1.804 120.551 118.700 0.078 0.000 2.289 453 N HA -0.161 4.443 4.740 -0.228 0.000 0.184 453 N C 0.751 176.242 175.510 -0.032 0.000 1.016 453 N CA 1.675 54.512 53.050 -0.355 0.000 0.872 453 N CB -0.809 37.236 38.487 -0.736 0.000 0.973 453 N HN 0.576 nan 8.380 nan 0.000 0.433 454 D N 0.708 121.180 120.400 0.121 0.000 2.378 454 D HA 0.046 4.549 4.640 -0.228 0.000 0.227 454 D C 1.021 177.446 176.300 0.207 0.000 1.012 454 D CA 0.151 54.274 54.000 0.205 0.000 0.905 454 D CB 0.039 40.976 40.800 0.228 0.000 0.895 454 D HN 0.219 nan 8.370 nan 0.000 0.532 455 S N 0.370 116.183 115.700 0.189 0.000 2.419 455 S HA -0.216 4.118 4.470 -0.228 0.000 0.235 455 S C 1.662 176.364 174.600 0.170 0.000 1.019 455 S CA 0.468 58.776 58.200 0.180 0.000 0.982 455 S CB -0.320 62.994 63.200 0.189 0.000 0.789 455 S HN 0.422 nan 8.310 nan 0.000 0.490 456 Y N 2.592 122.932 120.300 0.068 0.000 2.114 456 Y HA -0.243 4.168 4.550 -0.232 0.000 0.282 456 Y C 2.549 178.493 175.900 0.074 0.000 1.165 456 Y CA 1.605 59.736 58.100 0.051 0.000 1.148 456 Y CB -0.790 37.688 38.460 0.030 0.000 0.972 456 Y HN 0.174 nan 8.280 nan 0.000 0.504 457 S N 0.372 116.145 115.700 0.122 0.000 2.370 457 S HA -0.198 4.136 4.470 -0.228 0.000 0.226 457 S C 2.048 176.648 174.600 -0.000 0.000 1.033 457 S CA 1.588 59.846 58.200 0.096 0.000 1.011 457 S CB -0.576 62.772 63.200 0.246 0.000 0.852 457 S HN 0.482 nan 8.310 nan 0.000 0.457 458 L N 0.895 122.140 121.223 0.037 0.000 2.046 458 L HA -0.139 4.064 4.340 -0.228 0.000 0.208 458 L C 2.779 179.635 176.870 -0.023 0.000 1.077 458 L CA 1.243 56.097 54.840 0.024 0.000 0.747 458 L CB -0.771 41.336 42.059 0.081 0.000 0.896 458 L HN 0.318 nan 8.230 nan 0.000 0.432 459 A N -0.175 122.608 122.820 -0.061 0.000 1.898 459 A HA -0.126 4.058 4.320 -0.228 0.000 0.216 459 A C 2.361 179.838 177.584 -0.178 0.000 1.181 459 A CA 1.597 53.576 52.037 -0.096 0.000 0.620 459 A CB -0.777 18.158 19.000 -0.109 0.000 0.819 459 A HN 0.177 nan 8.150 nan 0.000 0.442 460 V N 0.197 119.920 119.914 -0.319 0.000 2.343 460 V HA -0.285 3.699 4.120 -0.228 0.000 0.247 460 V C 2.424 178.424 176.094 -0.157 0.000 1.051 460 V CA 2.123 64.235 62.300 -0.314 0.000 1.036 460 V CB -0.682 30.852 31.823 -0.483 0.000 0.654 460 V HN 0.575 nan 8.190 nan 0.000 0.451 461 I N 0.326 120.831 120.570 -0.108 0.000 2.179 461 I HA -0.246 3.787 4.170 -0.228 0.000 0.242 461 I C 2.658 178.720 176.117 -0.092 0.000 1.088 461 I CA 1.553 62.805 61.300 -0.081 0.000 1.357 461 I CB -0.591 37.364 38.000 -0.075 0.000 1.051 461 I HN 0.282 nan 8.210 nan 0.000 0.409 462 A N 0.795 123.566 122.820 -0.081 0.000 1.902 462 A HA -0.165 4.018 4.320 -0.228 0.000 0.217 462 A C 2.285 179.858 177.584 -0.018 0.000 1.181 462 A CA 1.478 53.488 52.037 -0.045 0.000 0.623 462 A CB -0.890 18.122 19.000 0.020 0.000 0.818 462 A HN 0.397 nan 8.150 nan 0.000 0.443 463 L N -0.979 120.220 121.223 -0.039 0.000 2.141 463 L HA -0.165 4.038 4.340 -0.228 0.000 0.209 463 L C 2.553 179.407 176.870 -0.028 0.000 1.094 463 L CA 1.642 56.463 54.840 -0.032 0.000 0.763 463 L CB -0.344 41.679 42.059 -0.059 0.000 0.908 463 L HN 0.345 nan 8.230 nan 0.000 0.437 464 K N 0.965 121.337 120.400 -0.046 0.000 2.026 464 K HA -0.134 4.050 4.320 -0.228 0.000 0.208 464 K C 1.955 178.537 176.600 -0.030 0.000 1.048 464 K CA 1.541 57.802 56.287 -0.044 0.000 0.929 464 K CB -0.369 32.099 32.500 -0.053 0.000 0.713 464 K HN 0.156 nan 8.250 nan 0.000 0.439 465 L N 0.770 121.989 121.223 -0.007 0.000 2.046 465 L HA -0.156 4.047 4.340 -0.228 0.000 0.208 465 L C 2.638 179.611 176.870 0.172 0.000 1.077 465 L CA 1.587 56.468 54.840 0.069 0.000 0.747 465 L CB -0.556 41.576 42.059 0.123 0.000 0.896 465 L HN 0.288 nan 8.230 nan 0.000 0.432 466 K N 0.624 121.096 120.400 0.121 0.000 2.063 466 K HA -0.280 3.903 4.320 -0.228 0.000 0.208 466 K C 2.042 178.701 176.600 0.098 0.000 1.048 466 K CA 1.996 58.357 56.287 0.125 0.000 0.928 466 K CB -0.050 32.490 32.500 0.067 0.000 0.713 466 K HN 0.325 nan 8.250 nan 0.000 0.442 467 E N 0.049 120.272 120.200 0.039 0.000 2.047 467 E HA -0.147 4.066 4.350 -0.228 0.000 0.191 467 E C 1.922 178.516 176.600 -0.010 0.000 0.987 467 E CA 1.294 57.701 56.400 0.011 0.000 0.799 467 E CB 0.135 29.826 29.700 -0.014 0.000 0.752 467 E HN 0.166 nan 8.360 nan 0.000 0.449 468 V N 0.498 120.371 119.914 -0.069 0.000 2.407 468 V HA -0.213 3.771 4.120 -0.228 0.000 0.248 468 V C 1.873 177.852 176.094 -0.192 0.000 1.055 468 V CA 1.492 63.685 62.300 -0.178 0.000 1.049 468 V CB -0.529 31.107 31.823 -0.312 0.000 0.662 468 V HN 0.282 nan 8.190 nan 0.000 0.455 469 F N 0.817 120.773 119.950 0.011 0.000 2.748 469 F HA 0.336 4.725 4.527 -0.229 0.000 0.299 469 F C 1.911 177.718 175.800 0.013 0.000 1.154 469 F CA 0.519 58.529 58.000 0.016 0.000 1.446 469 F CB -0.788 38.227 39.000 0.025 0.000 1.112 469 F HN 0.290 nan 8.300 nan 0.000 0.584 470 G N 1.364 110.253 108.800 0.147 0.000 2.273 470 G HA2 -0.304 3.519 3.960 -0.228 0.000 0.280 470 G HA3 -0.304 3.519 3.960 -0.228 0.000 0.280 470 G C 0.076 175.031 174.900 0.092 0.000 1.047 470 G CA -0.083 45.072 45.100 0.092 0.000 0.869 470 G HN 0.299 nan 8.290 nan 0.000 0.502 471 L N -0.448 120.839 121.223 0.107 0.000 2.350 471 L HA 0.393 4.597 4.340 -0.228 0.000 0.275 471 L C 1.482 178.381 176.870 0.048 0.000 1.099 471 L CA -0.994 53.891 54.840 0.075 0.000 0.808 471 L CB 0.891 42.998 42.059 0.080 0.000 1.149 471 L HN 0.013 nan 8.230 nan 0.000 0.442 472 E N 0.497 120.717 120.200 0.033 0.000 2.285 472 E HA -0.031 4.182 4.350 -0.228 0.000 0.194 472 E C -0.211 176.400 176.600 0.018 0.000 0.997 472 E CA 0.745 57.158 56.400 0.021 0.000 0.845 472 E CB 0.215 29.923 29.700 0.014 0.000 0.782 472 E HN 0.467 nan 8.360 nan 0.000 0.491 473 D N -0.084 120.329 120.400 0.021 0.000 2.757 473 D HA 0.043 4.546 4.640 -0.228 0.000 0.249 473 D C 0.699 177.018 176.300 0.030 0.000 1.168 473 D CA -0.417 53.593 54.000 0.018 0.000 0.870 473 D CB 2.392 43.198 40.800 0.010 0.000 1.411 473 D HN -0.247 nan 8.370 nan 0.000 0.525 474 V N 4.578 124.512 119.914 0.032 0.000 2.568 474 V HA -0.246 3.737 4.120 -0.228 0.000 0.253 474 V C 1.327 177.463 176.094 0.070 0.000 1.072 474 V CA 2.051 64.381 62.300 0.049 0.000 1.084 474 V CB -0.454 31.392 31.823 0.040 0.000 0.676 474 V HN 0.503 nan 8.190 nan 0.000 0.469 475 N N 0.092 118.825 118.700 0.054 0.000 2.550 475 N HA -0.075 4.528 4.740 -0.228 0.000 0.186 475 N C 0.938 176.482 175.510 0.057 0.000 1.110 475 N CA 0.991 54.082 53.050 0.069 0.000 0.912 475 N CB -0.057 38.452 38.487 0.036 0.000 0.968 475 N HN 0.509 nan 8.380 nan 0.000 0.448 476 D N 0.188 120.611 120.400 0.038 0.000 2.340 476 D HA 0.063 4.567 4.640 -0.228 0.000 0.220 476 D C 0.289 176.588 176.300 -0.001 0.000 1.039 476 D CA 0.170 54.179 54.000 0.016 0.000 0.866 476 D CB 0.259 41.062 40.800 0.006 0.000 0.913 476 D HN 0.273 nan 8.370 nan 0.000 0.523 477 L N 1.835 123.075 121.223 0.028 0.000 2.464 477 L HA 0.156 4.360 4.340 -0.228 0.000 0.264 477 L C -1.657 175.239 176.870 0.043 0.000 1.199 477 L CA -1.391 53.460 54.840 0.019 0.000 0.818 477 L CB 0.277 42.377 42.059 0.069 0.000 1.102 477 L HN -0.193 nan 8.230 nan 0.000 0.473 478 P HA 0.257 nan 4.420 nan 0.000 0.225 478 P C -0.803 176.602 177.300 0.174 0.000 1.813 478 P CA 0.317 63.474 63.100 0.095 0.000 1.013 478 P CB -0.286 31.451 31.700 0.062 0.000 1.961 479 I N 1.015 121.641 120.570 0.092 0.000 2.499 479 I HA 0.325 4.359 4.170 -0.228 0.000 0.288 479 I C -0.161 175.869 176.117 -0.144 0.000 1.048 479 I CA -1.219 60.065 61.300 -0.027 0.000 1.062 479 I CB 2.858 40.749 38.000 -0.181 0.000 1.238 479 I HN -0.185 nan 8.210 nan 0.000 0.426 480 V N 6.261 126.077 119.914 -0.165 0.000 2.483 480 V HA 0.361 4.345 4.120 -0.228 0.000 0.295 480 V C -1.041 174.920 176.094 -0.222 0.000 1.035 480 V CA -0.563 61.658 62.300 -0.132 0.000 0.896 480 V CB 1.672 33.389 31.823 -0.177 0.000 0.986 480 V HN 0.410 nan 8.190 nan 0.000 0.447 481 Y N 3.077 123.419 120.300 0.071 0.000 2.356 481 Y HA 0.466 4.878 4.550 -0.231 0.000 0.334 481 Y C 0.452 176.433 175.900 0.135 0.000 0.958 481 Y CA -0.562 57.584 58.100 0.076 0.000 1.196 481 Y CB 1.103 39.563 38.460 0.000 0.000 1.137 481 Y HN 0.547 nan 8.280 nan 0.000 0.485 482 N N 4.509 123.361 118.700 0.253 0.000 2.841 482 N HA 0.343 4.947 4.740 -0.228 0.000 0.257 482 N C -1.396 174.288 175.510 0.290 0.000 1.396 482 N CA -0.153 53.055 53.050 0.264 0.000 0.823 482 N CB 0.206 38.750 38.487 0.094 0.000 1.162 482 N HN 0.611 nan 8.380 nan 0.000 0.503 483 I N 1.160 121.892 120.570 0.271 0.000 2.353 483 I HA 0.468 4.501 4.170 -0.228 0.000 0.293 483 I C 0.469 176.701 176.117 0.192 0.000 0.992 483 I CA -0.796 60.632 61.300 0.212 0.000 1.268 483 I CB 1.573 39.696 38.000 0.204 0.000 1.387 483 I HN 0.301 nan 8.210 nan 0.000 0.478 484 A N 7.968 130.808 122.820 0.032 0.000 2.305 484 A HA 0.642 4.825 4.320 -0.228 0.000 0.322 484 A C -0.948 176.778 177.584 0.236 0.000 1.187 484 A CA -0.488 51.539 52.037 -0.016 0.000 0.825 484 A CB 0.695 19.408 19.000 -0.479 0.000 1.164 484 A HN 0.820 nan 8.150 nan 0.000 0.498 485 W N 2.093 123.453 121.300 0.100 0.000 2.882 485 W HA 0.637 5.139 4.660 -0.262 0.000 0.345 485 W C -1.181 175.483 176.519 0.242 0.000 1.125 485 W CA -0.902 56.535 57.345 0.153 0.000 1.167 485 W CB 1.133 30.660 29.460 0.113 0.000 1.431 485 W HN 0.730 nan 8.180 nan 0.000 0.543 486 Y N 1.030 121.276 120.300 -0.091 0.000 3.199 486 Y HA 0.152 4.553 4.550 -0.250 0.000 0.211 486 Y C 0.359 176.132 175.900 -0.211 0.000 0.959 486 Y CA 1.443 59.342 58.100 -0.335 0.000 1.528 486 Y CB 0.243 38.698 38.460 -0.008 0.000 1.487 486 Y HN 0.470 nan 8.280 nan 0.000 0.403 487 E N -0.323 119.815 120.200 -0.104 0.000 2.573 487 E HA 0.338 4.551 4.350 -0.228 0.000 0.218 487 E C 0.530 177.190 176.600 0.101 0.000 0.777 487 E CA -0.330 55.968 56.400 -0.169 0.000 0.970 487 E CB 0.330 29.825 29.700 -0.342 0.000 1.666 487 E HN 0.027 nan 8.360 nan 0.000 0.384 488 Q N -0.125 119.662 119.800 -0.020 0.000 2.245 488 Q HA 0.125 4.328 4.340 -0.228 0.000 0.201 488 Q C 1.591 177.577 176.000 -0.023 0.000 0.955 488 Q CA 1.205 57.007 55.803 -0.003 0.000 0.870 488 Q CB -0.088 28.612 28.738 -0.064 0.000 0.945 488 Q HN 0.389 nan 8.270 nan 0.000 0.461 489 K N 0.352 120.705 120.400 -0.079 0.000 2.057 489 K HA -0.069 4.114 4.320 -0.228 0.000 0.207 489 K C 2.047 178.706 176.600 0.099 0.000 1.049 489 K CA 1.190 57.398 56.287 -0.131 0.000 0.931 489 K CB -0.226 32.161 32.500 -0.188 0.000 0.714 489 K HN 0.217 nan 8.250 nan 0.000 0.440 490 A N 0.923 123.862 122.820 0.200 0.000 1.933 490 A HA -0.130 4.053 4.320 -0.228 0.000 0.218 490 A C 2.317 180.028 177.584 0.212 0.000 1.175 490 A CA 1.411 53.613 52.037 0.275 0.000 0.628 490 A CB -0.625 18.619 19.000 0.406 0.000 0.814 490 A HN 0.078 nan 8.150 nan 0.000 0.444 491 V N -0.350 119.678 119.914 0.188 0.000 2.295 491 V HA -0.253 3.730 4.120 -0.228 0.000 0.246 491 V C 2.365 178.505 176.094 0.077 0.000 1.049 491 V CA 2.042 64.409 62.300 0.111 0.000 1.024 491 V CB -0.667 31.245 31.823 0.149 0.000 0.648 491 V HN 0.592 nan 8.190 nan 0.000 0.447 492 I N -0.317 120.299 120.570 0.076 0.000 2.394 492 I HA -0.142 3.891 4.170 -0.228 0.000 0.251 492 I C 2.189 178.382 176.117 0.126 0.000 1.136 492 I CA 1.322 62.672 61.300 0.083 0.000 1.425 492 I CB -0.189 37.844 38.000 0.056 0.000 1.079 492 I HN 0.063 nan 8.210 nan 0.000 0.425 493 V N 0.291 120.309 119.914 0.173 0.000 2.343 493 V HA -0.262 3.721 4.120 -0.228 0.000 0.247 493 V C 2.431 178.578 176.094 0.088 0.000 1.051 493 V CA 1.892 64.299 62.300 0.178 0.000 1.036 493 V CB -0.845 31.114 31.823 0.225 0.000 0.654 493 V HN 0.496 nan 8.190 nan 0.000 0.451 494 L N -0.188 121.067 121.223 0.054 0.000 2.012 494 L HA -0.156 4.048 4.340 -0.228 0.000 0.210 494 L C 2.210 179.031 176.870 -0.081 0.000 1.073 494 L CA 1.954 56.776 54.840 -0.029 0.000 0.748 494 L CB -0.575 41.443 42.059 -0.067 0.000 0.891 494 L HN 0.206 nan 8.230 nan 0.000 0.431 495 L N -0.620 120.570 121.223 -0.055 0.000 2.083 495 L HA -0.182 4.022 4.340 -0.228 0.000 0.209 495 L C 2.698 179.528 176.870 -0.067 0.000 1.083 495 L CA 1.086 55.876 54.840 -0.083 0.000 0.752 495 L CB -1.045 40.995 42.059 -0.031 0.000 0.899 495 L HN 0.419 nan 8.230 nan 0.000 0.433 496 A N 0.468 123.284 122.820 -0.006 0.000 1.883 496 A HA -0.185 3.999 4.320 -0.228 0.000 0.217 496 A C 2.258 179.825 177.584 -0.029 0.000 1.186 496 A CA 1.525 53.569 52.037 0.011 0.000 0.624 496 A CB -0.747 18.300 19.000 0.078 0.000 0.822 496 A HN 0.350 nan 8.150 nan 0.000 0.444 497 L N -0.582 120.613 121.223 -0.047 0.000 2.046 497 L HA -0.192 4.011 4.340 -0.228 0.000 0.208 497 L C 2.580 179.364 176.870 -0.144 0.000 1.077 497 L CA 1.079 55.861 54.840 -0.096 0.000 0.747 497 L CB -0.588 41.394 42.059 -0.130 0.000 0.896 497 L HN 0.387 nan 8.230 nan 0.000 0.432 498 L N -0.396 120.703 121.223 -0.207 0.000 2.046 498 L HA -0.199 4.004 4.340 -0.228 0.000 0.208 498 L C 2.897 179.677 176.870 -0.150 0.000 1.077 498 L CA 1.596 56.243 54.840 -0.322 0.000 0.747 498 L CB -0.738 40.919 42.059 -0.669 0.000 0.896 498 L HN 0.416 nan 8.230 nan 0.000 0.432 499 S N 0.074 115.708 115.700 -0.109 0.000 2.419 499 S HA -0.129 4.205 4.470 -0.228 0.000 0.233 499 S C 1.791 176.381 174.600 -0.017 0.000 1.016 499 S CA 0.840 59.015 58.200 -0.041 0.000 0.974 499 S CB -0.536 62.634 63.200 -0.050 0.000 0.786 499 S HN 0.421 nan 8.310 nan 0.000 0.492 500 L N 1.021 122.226 121.223 -0.030 0.000 2.599 500 L HA 0.290 4.493 4.340 -0.228 0.000 0.230 500 L C 1.808 178.672 176.870 -0.009 0.000 1.141 500 L CA 0.393 55.219 54.840 -0.024 0.000 0.877 500 L CB -0.574 41.465 42.059 -0.034 0.000 1.009 500 L HN 0.638 nan 8.230 nan 0.000 0.447 501 G N -0.106 108.708 108.800 0.023 0.000 2.141 501 G HA2 -0.234 3.590 3.960 -0.228 0.000 0.242 501 G HA3 -0.234 3.590 3.960 -0.228 0.000 0.242 501 G C 0.168 175.079 174.900 0.018 0.000 0.982 501 G CA -0.075 45.058 45.100 0.055 0.000 0.662 501 G HN 0.080 nan 8.290 nan 0.000 0.527 502 V N 1.185 121.065 119.914 -0.056 0.000 2.470 502 V HA 0.403 4.387 4.120 -0.228 0.000 0.276 502 V C 0.800 176.816 176.094 -0.131 0.000 1.040 502 V CA 0.334 62.525 62.300 -0.182 0.000 1.008 502 V CB 1.142 32.718 31.823 -0.412 0.000 0.990 502 V HN 0.374 nan 8.190 nan 0.000 0.477 503 K N 3.388 123.722 120.400 -0.109 0.000 2.258 503 K HA 0.521 4.704 4.320 -0.228 0.000 0.236 503 K C 0.371 176.889 176.600 -0.137 0.000 1.008 503 K CA -0.868 55.384 56.287 -0.057 0.000 0.869 503 K CB 0.857 33.342 32.500 -0.026 0.000 1.171 503 K HN 0.646 nan 8.250 nan 0.000 0.447 504 N N -0.020 118.591 118.700 -0.147 0.000 2.850 504 N HA -0.194 4.409 4.740 -0.228 0.000 0.249 504 N C -0.571 174.652 175.510 -0.478 0.000 1.060 504 N CA 0.687 53.575 53.050 -0.269 0.000 0.825 504 N CB -1.638 36.748 38.487 -0.170 0.000 1.132 504 N HN 0.519 nan 8.380 nan 0.000 0.564 505 I N 2.425 122.788 120.570 -0.345 0.000 2.598 505 I HA -0.072 3.962 4.170 -0.228 0.000 0.284 505 I C 0.912 176.799 176.117 -0.384 0.000 1.140 505 I CA 0.455 61.579 61.300 -0.294 0.000 1.420 505 I CB 0.278 38.156 38.000 -0.203 0.000 1.387 505 I HN -0.007 nan 8.210 nan 0.000 0.553 506 H N 7.036 126.045 119.070 -0.103 0.000 2.552 506 H HA 0.364 4.783 4.556 -0.229 0.000 0.311 506 H C -0.628 174.723 175.328 0.038 0.000 1.071 506 H CA -0.745 55.233 56.048 -0.117 0.000 1.307 506 H CB 1.619 31.177 29.762 -0.339 0.000 1.416 506 H HN 0.313 nan 8.280 nan 0.000 0.464 507 L N 2.844 124.148 121.223 0.136 0.000 2.341 507 L HA 0.670 4.873 4.340 -0.228 0.000 0.278 507 L C 0.053 177.065 176.870 0.236 0.000 1.005 507 L CA 0.001 54.935 54.840 0.158 0.000 0.818 507 L CB 1.770 43.837 42.059 0.012 0.000 1.259 507 L HN 0.827 nan 8.230 nan 0.000 0.418 508 G N 3.549 112.578 108.800 0.381 0.000 2.619 508 G HA2 0.429 4.252 3.960 -0.228 0.000 0.305 508 G HA3 0.429 4.252 3.960 -0.228 0.000 0.305 508 G C -2.752 172.408 174.900 0.433 0.000 1.330 508 G CA -0.301 45.023 45.100 0.373 0.000 0.789 508 G HN 0.351 nan 8.290 nan 0.000 0.487 509 P HA 0.108 nan 4.420 nan 0.000 0.233 509 P C 0.701 178.062 177.300 0.101 0.000 1.167 509 P CA 1.072 64.266 63.100 0.156 0.000 0.770 509 P CB 0.236 32.004 31.700 0.114 0.000 0.837 510 T N -3.005 111.662 114.554 0.189 0.000 2.887 510 T HA 0.600 4.813 4.350 -0.228 0.000 0.292 510 T C -0.290 174.597 174.700 0.312 0.000 1.087 510 T CA -0.985 61.224 62.100 0.182 0.000 1.009 510 T CB 1.255 70.204 68.868 0.136 0.000 1.203 510 T HN -0.193 nan 8.240 nan 0.000 0.518 511 L N 1.485 122.801 121.223 0.156 0.000 2.334 511 L HA 0.465 4.668 4.340 -0.228 0.000 0.277 511 L C -2.267 174.591 176.870 -0.019 0.000 1.075 511 L CA -2.454 52.406 54.840 0.032 0.000 0.804 511 L CB 0.871 42.901 42.059 -0.047 0.000 1.174 511 L HN 0.457 nan 8.230 nan 0.000 0.438 512 P HA -0.056 nan 4.420 nan 0.000 0.265 512 P C 0.033 177.031 177.300 -0.503 0.000 1.187 512 P CA 0.128 62.867 63.100 -0.601 0.000 0.766 512 P CB 0.766 31.442 31.700 -1.706 0.000 0.820 513 A N 3.259 125.883 122.820 -0.327 0.000 2.066 513 A HA -0.124 4.060 4.320 -0.228 0.000 0.218 513 A C 1.360 178.835 177.584 -0.182 0.000 1.157 513 A CA 1.044 53.016 52.037 -0.108 0.000 0.670 513 A CB -1.319 17.755 19.000 0.124 0.000 0.804 513 A HN 0.666 nan 8.150 nan 0.000 0.453 514 F N -1.261 118.478 119.950 -0.352 0.000 2.804 514 F HA 0.444 4.830 4.527 -0.235 0.000 0.303 514 F C 0.116 175.858 175.800 -0.096 0.000 1.154 514 F CA -0.562 57.159 58.000 -0.465 0.000 1.401 514 F CB -0.627 37.992 39.000 -0.633 0.000 1.106 514 F HN -0.108 nan 8.300 nan 0.000 0.568 515 L N 2.386 123.525 121.223 -0.139 0.000 2.260 515 L HA 0.316 4.520 4.340 -0.228 0.000 0.289 515 L C 0.707 177.589 176.870 0.021 0.000 1.057 515 L CA -0.857 53.958 54.840 -0.042 0.000 0.811 515 L CB 0.871 42.847 42.059 -0.138 0.000 1.184 515 L HN 0.274 nan 8.230 nan 0.000 0.429 516 S N 3.014 118.756 115.700 0.071 0.000 2.600 516 S HA 0.267 4.600 4.470 -0.228 0.000 0.265 516 S C -1.769 172.857 174.600 0.043 0.000 1.325 516 S CA -1.077 57.167 58.200 0.073 0.000 1.002 516 S CB 0.945 64.195 63.200 0.084 0.000 0.921 516 S HN 0.381 nan 8.310 nan 0.000 0.554 517 P HA -0.115 nan 4.420 nan 0.000 0.216 517 P C 0.802 178.118 177.300 0.027 0.000 1.153 517 P CA 1.651 64.768 63.100 0.029 0.000 0.858 517 P CB -0.258 31.460 31.700 0.031 0.000 0.789 518 N N -1.127 117.592 118.700 0.031 0.000 2.188 518 N HA -0.079 4.525 4.740 -0.228 0.000 0.184 518 N C 1.550 177.079 175.510 0.031 0.000 1.018 518 N CA 0.516 53.583 53.050 0.028 0.000 0.858 518 N CB -0.424 38.079 38.487 0.028 0.000 0.989 518 N HN -0.070 nan 8.380 nan 0.000 0.426 519 V N 1.333 121.268 119.914 0.036 0.000 2.358 519 V HA -0.163 3.821 4.120 -0.228 0.000 0.246 519 V C 2.376 178.486 176.094 0.028 0.000 1.047 519 V CA 1.770 64.092 62.300 0.037 0.000 1.035 519 V CB -0.791 31.060 31.823 0.046 0.000 0.658 519 V HN 0.325 nan 8.190 nan 0.000 0.452 520 A N 0.055 122.883 122.820 0.014 0.000 1.940 520 A HA -0.283 3.901 4.320 -0.228 0.000 0.219 520 A C 2.215 179.808 177.584 0.015 0.000 1.176 520 A CA 2.341 54.378 52.037 -0.000 0.000 0.631 520 A CB -0.493 18.500 19.000 -0.011 0.000 0.814 520 A HN 0.462 nan 8.150 nan 0.000 0.446 521 K N -0.208 120.204 120.400 0.020 0.000 2.057 521 K HA -0.063 4.120 4.320 -0.228 0.000 0.207 521 K C 1.679 178.295 176.600 0.027 0.000 1.049 521 K CA 1.684 57.983 56.287 0.020 0.000 0.931 521 K CB -0.614 31.896 32.500 0.017 0.000 0.714 521 K HN 0.197 nan 8.250 nan 0.000 0.440 522 V N 1.027 120.965 119.914 0.040 0.000 2.343 522 V HA -0.240 3.743 4.120 -0.228 0.000 0.247 522 V C 2.231 178.394 176.094 0.115 0.000 1.051 522 V CA 1.777 64.113 62.300 0.060 0.000 1.036 522 V CB -0.415 31.454 31.823 0.076 0.000 0.654 522 V HN 0.291 nan 8.190 nan 0.000 0.451 523 L N -0.667 120.634 121.223 0.129 0.000 2.083 523 L HA -0.137 4.067 4.340 -0.228 0.000 0.209 523 L C 2.456 179.410 176.870 0.141 0.000 1.083 523 L CA 1.045 56.001 54.840 0.194 0.000 0.752 523 L CB -0.677 41.416 42.059 0.057 0.000 0.899 523 L HN 0.206 nan 8.230 nan 0.000 0.433 524 V N -0.084 119.865 119.914 0.058 0.000 2.307 524 V HA -0.246 3.738 4.120 -0.228 0.000 0.245 524 V C 2.361 178.458 176.094 0.005 0.000 1.045 524 V CA 1.782 64.097 62.300 0.025 0.000 1.024 524 V CB -0.405 31.425 31.823 0.012 0.000 0.651 524 V HN 0.441 nan 8.190 nan 0.000 0.449 525 E N -0.482 119.715 120.200 -0.005 0.000 2.072 525 E HA -0.197 4.016 4.350 -0.228 0.000 0.191 525 E C 2.301 178.838 176.600 -0.105 0.000 0.985 525 E CA 1.051 57.426 56.400 -0.042 0.000 0.801 525 E CB -0.061 29.618 29.700 -0.035 0.000 0.750 525 E HN 0.508 nan 8.360 nan 0.000 0.452 526 Q N -1.031 118.673 119.800 -0.160 0.000 2.376 526 Q HA 0.059 4.263 4.340 -0.228 0.000 0.206 526 Q C 1.033 176.631 176.000 -0.668 0.000 0.921 526 Q CA 0.753 56.294 55.803 -0.436 0.000 0.911 526 Q CB 0.426 28.802 28.738 -0.603 0.000 1.032 526 Q HN 0.294 nan 8.270 nan 0.000 0.510 527 F N -0.109 119.802 119.950 -0.065 0.000 2.746 527 F HA 0.273 4.668 4.527 -0.220 0.000 0.320 527 F C 0.558 176.292 175.800 -0.110 0.000 1.097 527 F CA -0.492 57.455 58.000 -0.089 0.000 1.195 527 F CB 0.194 39.137 39.000 -0.095 0.000 1.056 527 F HN 0.054 nan 8.300 nan 0.000 0.562 528 N N 1.953 120.668 118.700 0.025 0.000 2.727 528 N HA -0.227 4.376 4.740 -0.228 0.000 0.249 528 N C -0.196 175.272 175.510 -0.070 0.000 1.048 528 N CA -0.182 52.850 53.050 -0.031 0.000 0.714 528 N CB -0.669 37.781 38.487 -0.061 0.000 0.959 528 N HN 0.246 nan 8.380 nan 0.000 0.544 529 I N 0.510 121.062 120.570 -0.031 0.000 2.692 529 I HA 0.198 4.231 4.170 -0.228 0.000 0.284 529 I C 1.431 177.504 176.117 -0.073 0.000 1.159 529 I CA 0.453 61.701 61.300 -0.086 0.000 1.423 529 I CB 1.110 39.069 38.000 -0.067 0.000 1.380 529 I HN 0.239 nan 8.210 nan 0.000 0.580 530 G N 3.354 112.102 108.800 -0.087 0.000 2.798 530 G HA2 0.694 4.518 3.960 -0.228 0.000 0.286 530 G HA3 0.694 4.518 3.960 -0.228 0.000 0.286 530 G C -0.700 174.241 174.900 0.068 0.000 1.389 530 G CA -0.494 44.612 45.100 0.011 0.000 0.894 530 G HN 0.771 nan 8.290 nan 0.000 0.488 531 G N -1.356 107.516 108.800 0.119 0.000 2.938 531 G HA2 0.684 4.507 3.960 -0.228 0.000 0.258 531 G HA3 0.684 4.507 3.960 -0.228 0.000 0.258 531 G C -0.228 174.785 174.900 0.188 0.000 1.356 531 G CA -0.609 44.565 45.100 0.124 0.000 1.052 531 G HN 1.148 nan 8.290 nan 0.000 0.550 532 I N -2.173 118.430 120.570 0.055 0.000 2.822 532 I HA 0.827 4.860 4.170 -0.228 0.000 0.312 532 I C 0.609 176.671 176.117 -0.092 0.000 1.011 532 I CA -0.621 60.634 61.300 -0.075 0.000 1.105 532 I CB 2.323 39.918 38.000 -0.674 0.000 1.291 532 I HN 0.695 nan 8.210 nan 0.000 0.474 533 T N 0.278 114.791 114.554 -0.069 0.000 1.672 533 T HA 0.383 4.597 4.350 -0.228 0.000 0.180 533 T C 0.470 175.201 174.700 0.052 0.000 0.699 533 T CA 0.233 62.325 62.100 -0.013 0.000 1.153 533 T CB -0.130 68.754 68.868 0.026 0.000 3.217 533 T HN 0.863 nan 8.240 nan 0.000 0.426 534 S N 1.956 117.714 115.700 0.097 0.000 2.610 534 S HA 0.482 4.815 4.470 -0.228 0.000 0.273 534 S C -1.823 172.891 174.600 0.191 0.000 1.274 534 S CA -1.254 57.034 58.200 0.146 0.000 1.023 534 S CB 1.153 64.386 63.200 0.055 0.000 0.962 534 S HN 0.503 nan 8.310 nan 0.000 0.523 535 P HA -0.179 nan 4.420 nan 0.000 0.216 535 P C 1.694 178.931 177.300 -0.104 0.000 1.153 535 P CA 1.297 64.303 63.100 -0.157 0.000 0.848 535 P CB -0.131 31.404 31.700 -0.276 0.000 0.787 536 Q N 0.070 119.820 119.800 -0.083 0.000 2.119 536 Q HA -0.169 4.035 4.340 -0.228 0.000 0.201 536 Q C 1.265 177.217 176.000 -0.079 0.000 0.972 536 Q CA 1.649 57.394 55.803 -0.097 0.000 0.847 536 Q CB -1.348 27.346 28.738 -0.073 0.000 0.903 536 Q HN 0.180 nan 8.270 nan 0.000 0.433 537 D N 1.659 122.029 120.400 -0.050 0.000 2.117 537 D HA -0.106 4.398 4.640 -0.228 0.000 0.198 537 D C 1.385 177.623 176.300 -0.104 0.000 0.982 537 D CA 1.328 55.300 54.000 -0.048 0.000 0.828 537 D CB -0.190 40.598 40.800 -0.020 0.000 0.967 537 D HN 0.280 nan 8.370 nan 0.000 0.464 538 D N -0.060 120.223 120.400 -0.196 0.000 2.183 538 D HA -0.043 4.460 4.640 -0.228 0.000 0.203 538 D C 2.209 178.348 176.300 -0.269 0.000 0.969 538 D CA 0.198 53.844 54.000 -0.590 0.000 0.842 538 D CB -0.211 40.024 40.800 -0.941 0.000 0.957 538 D HN 0.210 nan 8.370 nan 0.000 0.484 539 L N 0.465 121.628 121.223 -0.101 0.000 2.191 539 L HA -0.169 4.034 4.340 -0.228 0.000 0.212 539 L C 2.367 179.271 176.870 0.057 0.000 1.103 539 L CA 1.104 55.883 54.840 -0.102 0.000 0.769 539 L CB -0.148 41.697 42.059 -0.356 0.000 0.908 539 L HN 0.003 nan 8.230 nan 0.000 0.438 540 K N 0.038 120.451 120.400 0.021 0.000 2.029 540 K HA -0.061 4.122 4.320 -0.228 0.000 0.205 540 K C 2.188 178.889 176.600 0.169 0.000 1.042 540 K CA 1.006 57.335 56.287 0.071 0.000 0.949 540 K CB -0.084 32.425 32.500 0.016 0.000 0.740 540 K HN 0.164 nan 8.250 nan 0.000 0.442 541 A N 0.768 123.660 122.820 0.120 0.000 1.933 541 A HA -0.099 4.084 4.320 -0.228 0.000 0.218 541 A C 1.784 179.576 177.584 0.347 0.000 1.175 541 A CA 1.092 53.245 52.037 0.194 0.000 0.628 541 A CB -0.657 18.445 19.000 0.169 0.000 0.814 541 A HN 0.379 nan 8.150 nan 0.000 0.444 542 F N -1.309 118.671 119.950 0.050 0.000 2.604 542 F HA 0.202 4.592 4.527 -0.229 0.000 0.298 542 F C 0.466 176.064 175.800 -0.336 0.000 1.131 542 F CA -0.473 57.419 58.000 -0.181 0.000 1.457 542 F CB -0.904 37.876 39.000 -0.367 0.000 1.095 542 F HN 0.068 nan 8.300 nan 0.000 0.574 543 F N 0.000 120.095 119.950 0.242 0.000 2.286 543 F HA 0.000 4.390 4.527 -0.228 0.000 0.279 543 F CA 0.000 58.086 58.000 0.144 0.000 1.383 543 F CB 0.000 39.050 39.000 0.082 0.000 1.145 543 F HN 0.000 nan 8.300 nan 0.000 0.574