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 3fks_1_S DATA FIRST_RESID 27 DATA SEQUENCE LNETGRVLAV GDGIARVFGL NNIQAEELVE FSSGVKGMAL NLEPGQVGIV DATA SEQUENCE LFGSDRLVKE GELVKRTGNI VDVPVGPGLL GRVVDALGNP IDGKGPIDAA DATA SEQUENCE GRSRAQVKAP GILPRRSVHE PVQTGLKAVD ALVPIGRGQR ELIIGDRQTG DATA SEQUENCE KTAVALDTIL NQKRWNNGSD ESKKLYCVYV AVGQKRSTVA QLVQTLEQHD DATA SEQUENCE AMKYSIIVAA TASEAAPLQY LAPFTAASIG EWFRDNGKHA LIVYDDLSKQ DATA SEQUENCE AVAYRQLSLL LRRPPGREAY PGDVFYLHSR LLERAAKLSE KEGSGSLTAL DATA SEQUENCE PVIETQGGDV SAYIPTNVIS ITDGQIFLEA ELFYKGIRPA INVGLSVSRV DATA SEQUENCE GSAAQVKALK QVAGSLKLFL AQYREVAAFA QXXSDLDAST KQTLVRGERL DATA SEQUENCE TQLLKQNQYS PLATEEQVPL IYAGVNGHLD GIELSRIGEF ESSFLSYLKS DATA SEQUENCE NHNELLTEIR EKGELSKELL ASLKSATESF VAT 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 27 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.831 176.870 -0.064 0.000 1.165 27 L CA 0.000 54.821 54.840 -0.033 0.000 0.813 27 L CB 0.000 42.052 42.059 -0.011 0.000 0.961 28 N N -0.226 118.443 118.700 -0.051 0.000 2.349 28 N HA -0.029 4.711 4.740 -0.000 0.000 0.180 28 N C 0.538 176.010 175.510 -0.063 0.000 1.024 28 N CA 1.043 54.058 53.050 -0.058 0.000 0.869 28 N CB 0.525 38.988 38.487 -0.040 0.000 1.022 28 N HN 0.288 nan 8.380 nan 0.000 0.433 29 E N 0.372 120.541 120.200 -0.052 0.000 2.481 29 E HA 0.069 4.419 4.350 -0.000 0.000 0.198 29 E C 0.166 176.730 176.600 -0.059 0.000 1.027 29 E CA 0.177 56.546 56.400 -0.052 0.000 0.900 29 E CB 1.046 30.722 29.700 -0.039 0.000 0.993 29 E HN 0.399 nan 8.360 nan 0.000 0.482 30 T N -1.826 112.693 114.554 -0.059 0.000 2.940 30 T HA 0.781 5.131 4.350 -0.000 0.000 0.288 30 T C 0.345 175.005 174.700 -0.066 0.000 1.045 30 T CA -0.835 61.231 62.100 -0.056 0.000 1.018 30 T CB 2.523 71.372 68.868 -0.032 0.000 1.151 30 T HN 0.000 nan 8.240 nan 0.000 0.529 31 G N 0.164 108.935 108.800 -0.048 0.000 2.690 31 G HA2 0.629 4.589 3.960 -0.000 0.000 0.293 31 G HA3 0.629 4.589 3.960 -0.000 0.000 0.293 31 G C -1.463 173.464 174.900 0.045 0.000 1.399 31 G CA -1.023 44.060 45.100 -0.028 0.000 0.890 31 G HN 0.604 nan 8.290 nan 0.000 0.485 32 R N 0.573 121.140 120.500 0.111 0.000 2.437 32 R HA 0.398 4.738 4.340 -0.000 0.000 0.310 32 R C -0.448 175.954 176.300 0.170 0.000 0.955 32 R CA -0.777 55.411 56.100 0.148 0.000 0.851 32 R CB 1.877 32.282 30.300 0.175 0.000 1.161 32 R HN 0.321 nan 8.270 nan 0.000 0.446 33 V N 5.471 125.479 119.914 0.156 0.000 2.409 33 V HA -0.042 4.078 4.120 -0.000 0.000 0.270 33 V C 1.907 178.063 176.094 0.104 0.000 1.019 33 V CA 0.365 62.754 62.300 0.148 0.000 1.066 33 V CB 0.361 32.266 31.823 0.136 0.000 1.021 33 V HN 0.699 nan 8.190 nan 0.000 0.476 34 L N 4.887 126.173 121.223 0.105 0.000 2.240 34 L HA 0.395 4.735 4.340 -0.000 0.000 0.211 34 L C 0.908 177.798 176.870 0.033 0.000 1.106 34 L CA 1.290 56.167 54.840 0.062 0.000 0.793 34 L CB 0.172 42.271 42.059 0.065 0.000 0.927 34 L HN 0.788 nan 8.230 nan 0.000 0.446 35 A N -1.585 121.256 122.820 0.036 0.000 2.586 35 A HA 0.575 4.895 4.320 -0.000 0.000 0.291 35 A C -1.762 175.822 177.584 0.000 0.000 1.062 35 A CA -0.161 51.883 52.037 0.012 0.000 0.666 35 A CB 1.359 20.362 19.000 0.005 0.000 1.281 35 A HN -0.139 nan 8.150 nan 0.000 0.421 36 V N -0.065 119.837 119.914 -0.021 0.000 2.817 36 V HA 0.896 5.016 4.120 -0.000 0.000 0.303 36 V C -0.321 175.746 176.094 -0.045 0.000 1.151 36 V CA 0.863 63.135 62.300 -0.047 0.000 0.929 36 V CB 1.807 33.581 31.823 -0.083 0.000 1.030 36 V HN 2.549 nan 8.190 nan 0.000 0.427 37 G N 3.442 112.213 108.800 -0.048 0.000 2.473 37 G HA2 0.523 4.483 3.960 -0.000 0.000 0.298 37 G HA3 0.523 4.483 3.960 -0.000 0.000 0.298 37 G C -0.980 173.894 174.900 -0.043 0.000 1.575 37 G CA 0.124 45.199 45.100 -0.042 0.000 0.846 37 G HN 1.003 nan 8.290 nan 0.000 0.585 38 D N -0.233 120.143 120.400 -0.041 0.000 2.746 38 D HA -0.140 4.500 4.640 -0.000 0.000 0.236 38 D C 1.505 177.775 176.300 -0.050 0.000 1.129 38 D CA 2.480 56.455 54.000 -0.041 0.000 0.691 38 D CB -1.222 39.555 40.800 -0.038 0.000 1.077 38 D HN 2.269 nan 8.370 nan 0.000 0.432 39 G N -0.186 108.580 108.800 -0.056 0.000 2.283 39 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.280 39 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.280 39 G C 0.291 175.144 174.900 -0.079 0.000 1.029 39 G CA 0.719 45.779 45.100 -0.067 0.000 0.840 39 G HN 0.610 nan 8.290 nan 0.000 0.505 40 I N -0.520 120.006 120.570 -0.074 0.000 2.656 40 I HA 0.635 4.805 4.170 -0.000 0.000 0.292 40 I C 0.021 176.106 176.117 -0.054 0.000 1.144 40 I CA -0.886 60.378 61.300 -0.060 0.000 1.038 40 I CB 2.337 40.308 38.000 -0.048 0.000 1.244 40 I HN 0.250 nan 8.210 nan 0.000 0.420 41 A N 5.519 128.323 122.820 -0.026 0.000 2.304 41 A HA 0.712 5.032 4.320 -0.000 0.000 0.314 41 A C -0.523 177.102 177.584 0.068 0.000 1.187 41 A CA -0.656 51.382 52.037 0.001 0.000 0.810 41 A CB 0.736 19.711 19.000 -0.041 0.000 1.183 41 A HN 0.752 nan 8.150 nan 0.000 0.487 42 R N 1.923 122.457 120.500 0.057 0.000 2.296 42 R HA 0.414 4.754 4.340 -0.000 0.000 0.327 42 R C -0.934 175.433 176.300 0.111 0.000 1.137 42 R CA -0.153 55.990 56.100 0.072 0.000 1.020 42 R CB 0.930 31.260 30.300 0.050 0.000 1.110 42 R HN 0.433 nan 8.270 nan 0.000 0.499 43 V N 4.817 124.809 119.914 0.130 0.000 2.407 43 V HA 0.235 4.354 4.120 -0.000 0.000 0.278 43 V C -0.334 175.853 176.094 0.156 0.000 1.037 43 V CA -0.668 61.723 62.300 0.150 0.000 0.900 43 V CB 0.954 32.859 31.823 0.136 0.000 0.983 43 V HN 0.485 nan 8.190 nan 0.000 0.459 44 F N 4.804 124.775 119.950 0.034 0.000 2.404 44 F HA 0.783 5.310 4.527 -0.000 0.000 0.345 44 F C 0.676 176.485 175.800 0.015 0.000 1.110 44 F CA 1.040 59.053 58.000 0.021 0.000 1.130 44 F CB 0.966 39.977 39.000 0.018 0.000 1.129 44 F HN 0.821 nan 8.300 nan 0.000 0.500 45 G N 4.080 112.391 108.800 -0.814 0.000 2.358 45 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.198 45 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.198 45 G C -0.176 174.535 174.900 -0.315 0.000 1.220 45 G CA -0.512 44.220 45.100 -0.612 0.000 1.187 45 G HN 1.309 nan 8.290 nan 0.000 0.544 46 L N -0.152 120.953 121.223 -0.197 0.000 3.739 46 L HA -0.223 4.117 4.340 -0.000 0.000 0.442 46 L C 1.432 178.229 176.870 -0.122 0.000 1.241 46 L CA 0.451 55.212 54.840 -0.130 0.000 0.819 46 L CB -1.466 40.531 42.059 -0.103 0.000 1.679 46 L HN 0.588 nan 8.230 nan 0.000 0.889 47 N N 0.344 118.963 118.700 -0.135 0.000 2.272 47 N HA -0.107 4.633 4.740 -0.000 0.000 0.185 47 N C 1.080 176.549 175.510 -0.068 0.000 1.014 47 N CA 1.410 54.395 53.050 -0.108 0.000 0.870 47 N CB -0.135 38.289 38.487 -0.104 0.000 0.975 47 N HN 0.544 nan 8.380 nan 0.000 0.433 48 N N 0.123 118.786 118.700 -0.061 0.000 2.321 48 N HA 0.209 4.949 4.740 -0.000 0.000 0.242 48 N C -0.330 175.157 175.510 -0.037 0.000 1.141 48 N CA -0.127 52.898 53.050 -0.042 0.000 0.864 48 N CB 0.773 39.238 38.487 -0.036 0.000 1.100 48 N HN 0.280 nan 8.380 nan 0.000 0.510 49 I N 0.465 121.010 120.570 -0.042 0.000 2.532 49 I HA 0.109 4.279 4.170 -0.000 0.000 0.292 49 I C 0.078 176.182 176.117 -0.021 0.000 1.014 49 I CA -0.457 60.822 61.300 -0.035 0.000 1.340 49 I CB 0.960 38.934 38.000 -0.043 0.000 1.422 49 I HN 0.031 nan 8.210 nan 0.000 0.528 50 Q N 4.407 124.199 119.800 -0.013 0.000 2.212 50 Q HA 0.526 4.866 4.340 -0.000 0.000 0.238 50 Q C -0.301 175.701 176.000 0.003 0.000 0.955 50 Q CA -0.893 54.908 55.803 -0.003 0.000 0.906 50 Q CB 1.500 30.239 28.738 0.001 0.000 1.215 50 Q HN 0.775 nan 8.270 nan 0.000 0.478 51 A N 1.137 123.962 122.820 0.009 0.000 2.425 51 A HA 0.089 4.409 4.320 -0.000 0.000 0.249 51 A C 0.089 177.687 177.584 0.024 0.000 1.084 51 A CA 0.030 52.077 52.037 0.016 0.000 0.781 51 A CB -0.013 18.998 19.000 0.019 0.000 1.019 51 A HN 0.943 nan 8.150 nan 0.000 0.490 52 E N -0.745 119.473 120.200 0.030 0.000 2.805 52 E HA -0.229 4.121 4.350 -0.000 0.000 0.266 52 E C 0.200 176.831 176.600 0.053 0.000 1.092 52 E CA 1.279 57.707 56.400 0.046 0.000 0.781 52 E CB -1.114 28.615 29.700 0.048 0.000 1.379 52 E HN 0.851 nan 8.360 nan 0.000 0.433 53 E N 0.767 120.989 120.200 0.038 0.000 2.313 53 E HA 0.282 4.632 4.350 -0.000 0.000 0.272 53 E C -0.149 176.481 176.600 0.049 0.000 1.038 53 E CA -0.686 55.735 56.400 0.036 0.000 0.863 53 E CB 0.725 30.433 29.700 0.013 0.000 1.060 53 E HN -0.025 nan 8.360 nan 0.000 0.402 54 L N 3.234 124.494 121.223 0.063 0.000 2.464 54 L HA 0.215 4.555 4.340 -0.000 0.000 0.264 54 L C -0.181 176.701 176.870 0.020 0.000 1.199 54 L CA 0.131 55.024 54.840 0.088 0.000 0.818 54 L CB 1.244 43.361 42.059 0.098 0.000 1.102 54 L HN 0.456 nan 8.230 nan 0.000 0.473 55 V N -1.383 118.534 119.914 0.004 0.000 3.147 55 V HA 0.722 4.842 4.120 -0.000 0.000 0.306 55 V C -1.008 174.991 176.094 -0.159 0.000 1.209 55 V CA -0.872 61.349 62.300 -0.133 0.000 1.023 55 V CB 1.854 33.518 31.823 -0.266 0.000 1.059 55 V HN 0.770 nan 8.190 nan 0.000 0.435 56 E N 0.919 120.968 120.200 -0.252 0.000 2.248 56 E HA 0.686 5.036 4.350 -0.000 0.000 0.267 56 E C -1.803 174.623 176.600 -0.289 0.000 0.877 56 E CA -0.667 55.640 56.400 -0.156 0.000 0.759 56 E CB 2.128 31.807 29.700 -0.035 0.000 1.182 56 E HN 0.603 nan 8.360 nan 0.000 0.418 57 F N 1.128 121.102 119.950 0.042 0.000 2.410 57 F HA 0.260 4.787 4.527 -0.000 0.000 0.324 57 F C 1.756 177.572 175.800 0.028 0.000 1.093 57 F CA -0.474 57.546 58.000 0.033 0.000 1.028 57 F CB 1.364 40.384 39.000 0.034 0.000 1.309 57 F HN 0.484 nan 8.300 nan 0.000 0.499 58 S N -0.040 115.803 115.700 0.237 0.000 2.370 58 S HA -0.207 4.263 4.470 -0.000 0.000 0.226 58 S C 2.058 176.724 174.600 0.110 0.000 1.033 58 S CA 1.774 60.052 58.200 0.130 0.000 1.011 58 S CB -0.581 62.684 63.200 0.109 0.000 0.852 58 S HN 0.707 nan 8.310 nan 0.000 0.457 59 S N 0.250 116.025 115.700 0.124 0.000 2.515 59 S HA 0.266 4.736 4.470 -0.000 0.000 0.231 59 S C 1.583 176.235 174.600 0.088 0.000 0.987 59 S CA 0.934 59.184 58.200 0.084 0.000 0.936 59 S CB -0.145 63.090 63.200 0.059 0.000 0.766 59 S HN 0.819 nan 8.310 nan 0.000 0.528 60 G N 0.002 108.875 108.800 0.122 0.000 2.238 60 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 60 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 60 G C 0.145 175.127 174.900 0.136 0.000 0.996 60 G CA -0.119 45.043 45.100 0.104 0.000 0.632 60 G HN 0.828 nan 8.290 nan 0.000 0.503 61 V N 1.475 121.497 119.914 0.180 0.000 2.843 61 V HA 0.527 4.647 4.120 -0.000 0.000 0.305 61 V C 0.588 176.887 176.094 0.342 0.000 1.065 61 V CA 0.510 62.939 62.300 0.214 0.000 1.116 61 V CB 1.139 33.056 31.823 0.156 0.000 0.968 61 V HN 0.350 nan 8.190 nan 0.000 0.487 62 K N 3.522 124.116 120.400 0.323 0.000 2.238 62 K HA 0.825 5.145 4.320 -0.000 0.000 0.239 62 K C -0.055 176.896 176.600 0.585 0.000 0.987 62 K CA -0.129 56.380 56.287 0.369 0.000 0.857 62 K CB 2.046 34.679 32.500 0.222 0.000 1.154 62 K HN 0.930 nan 8.250 nan 0.000 0.439 63 G N 0.451 109.569 108.800 0.530 0.000 2.731 63 G HA2 0.621 4.581 3.960 -0.000 0.000 0.309 63 G HA3 0.621 4.581 3.960 -0.000 0.000 0.309 63 G C -1.651 173.403 174.900 0.256 0.000 1.273 63 G CA -0.883 44.411 45.100 0.324 0.000 0.798 63 G HN 0.573 nan 8.290 nan 0.000 0.509 64 M N -1.357 118.254 119.600 0.018 0.000 2.470 64 M HA 0.805 5.285 4.480 -0.000 0.000 0.285 64 M C -0.961 175.346 176.300 0.012 0.000 1.213 64 M CA -1.032 54.305 55.300 0.061 0.000 0.901 64 M CB 2.416 35.082 32.600 0.110 0.000 1.718 64 M HN 1.062 nan 8.290 nan 0.000 0.469 65 A N 3.074 125.909 122.820 0.025 0.000 2.260 65 A HA 0.651 4.971 4.320 -0.000 0.000 0.312 65 A C 0.168 177.758 177.584 0.010 0.000 1.321 65 A CA -0.699 51.346 52.037 0.014 0.000 0.928 65 A CB 0.124 19.130 19.000 0.010 0.000 1.158 65 A HN 1.021 nan 8.150 nan 0.000 0.542 66 L N 1.579 122.800 121.223 -0.004 0.000 2.316 66 L HA 0.114 4.454 4.340 -0.000 0.000 0.207 66 L C 0.157 177.027 176.870 0.001 0.000 1.070 66 L CA 0.346 55.183 54.840 -0.004 0.000 0.820 66 L CB 0.006 42.046 42.059 -0.032 0.000 0.992 66 L HN 0.562 nan 8.230 nan 0.000 0.466 67 N N 0.842 119.541 118.700 -0.002 0.000 2.437 67 N HA 0.329 5.069 4.740 -0.000 0.000 0.259 67 N C -0.746 174.768 175.510 0.008 0.000 0.983 67 N CA 0.040 53.091 53.050 0.002 0.000 0.937 67 N CB 1.282 39.768 38.487 -0.002 0.000 1.122 67 N HN 0.030 nan 8.380 nan 0.000 0.499 68 L N 2.291 123.519 121.223 0.009 0.000 2.657 68 L HA 0.259 4.599 4.340 -0.000 0.000 0.239 68 L C 0.429 177.305 176.870 0.010 0.000 1.215 68 L CA -0.338 54.506 54.840 0.007 0.000 1.161 68 L CB -0.189 41.872 42.059 0.003 0.000 1.436 68 L HN 0.347 nan 8.230 nan 0.000 0.414 69 E N 1.231 121.441 120.200 0.017 0.000 2.408 69 E HA 0.031 4.381 4.350 -0.000 0.000 0.259 69 E C -1.374 175.243 176.600 0.028 0.000 1.110 69 E CA -1.530 54.883 56.400 0.023 0.000 0.929 69 E CB 0.491 30.208 29.700 0.029 0.000 0.971 69 E HN 0.173 nan 8.360 nan 0.000 0.438 70 P HA -0.237 nan 4.420 nan 0.000 0.217 70 P C 0.957 178.289 177.300 0.054 0.000 1.162 70 P CA 1.756 64.876 63.100 0.034 0.000 0.901 70 P CB 0.103 31.824 31.700 0.035 0.000 0.793 71 G N -1.106 107.745 108.800 0.085 0.000 2.724 71 G HA2 0.011 3.971 3.960 -0.000 0.000 0.217 71 G HA3 0.011 3.971 3.960 -0.000 0.000 0.217 71 G C 0.559 175.573 174.900 0.189 0.000 1.251 71 G CA 0.081 45.280 45.100 0.165 0.000 0.867 71 G HN 0.411 nan 8.290 nan 0.000 0.590 72 Q N -0.480 119.428 119.800 0.179 0.000 2.272 72 Q HA 0.576 4.916 4.340 -0.000 0.000 0.192 72 Q C -1.272 174.774 176.000 0.078 0.000 1.059 72 Q CA -0.493 55.412 55.803 0.169 0.000 1.084 72 Q CB 1.599 30.428 28.738 0.151 0.000 1.139 72 Q HN 0.104 nan 8.270 nan 0.000 0.593 73 V N 0.558 120.513 119.914 0.067 0.000 2.462 73 V HA 0.387 4.507 4.120 -0.000 0.000 0.288 73 V C -0.082 176.040 176.094 0.047 0.000 1.020 73 V CA -0.582 61.740 62.300 0.038 0.000 0.857 73 V CB 1.373 33.203 31.823 0.012 0.000 1.013 73 V HN 0.883 nan 8.190 nan 0.000 0.431 74 G N 5.867 114.687 108.800 0.033 0.000 2.367 74 G HA2 0.532 4.492 3.960 -0.000 0.000 0.280 74 G HA3 0.532 4.492 3.960 -0.000 0.000 0.280 74 G C -0.430 174.485 174.900 0.025 0.000 1.175 74 G CA 0.011 45.126 45.100 0.026 0.000 1.001 74 G HN 0.618 nan 8.290 nan 0.000 0.437 75 I N 2.847 123.447 120.570 0.050 0.000 2.406 75 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 75 I C 0.293 176.428 176.117 0.029 0.000 0.999 75 I CA -1.162 60.175 61.300 0.063 0.000 1.124 75 I CB 2.177 40.272 38.000 0.158 0.000 1.289 75 I HN 0.346 nan 8.210 nan 0.000 0.441 76 V N 5.210 125.098 119.914 -0.043 0.000 2.567 76 V HA 0.557 4.677 4.120 -0.000 0.000 0.289 76 V C -0.197 175.795 176.094 -0.170 0.000 1.049 76 V CA -0.695 61.536 62.300 -0.116 0.000 0.969 76 V CB 1.308 33.028 31.823 -0.171 0.000 0.995 76 V HN 0.511 nan 8.190 nan 0.000 0.471 77 L N 3.128 124.257 121.223 -0.156 0.000 2.325 77 L HA 0.485 4.825 4.340 -0.000 0.000 0.279 77 L C 0.385 177.157 176.870 -0.165 0.000 1.054 77 L CA -0.390 54.383 54.840 -0.112 0.000 0.804 77 L CB 1.133 43.141 42.059 -0.086 0.000 1.200 77 L HN 0.574 nan 8.230 nan 0.000 0.436 78 F N 0.601 120.597 119.950 0.077 0.000 2.797 78 F HA 0.233 4.760 4.527 -0.000 0.000 0.302 78 F C 1.329 177.157 175.800 0.047 0.000 1.130 78 F CA 0.052 58.093 58.000 0.068 0.000 1.387 78 F CB 0.275 39.321 39.000 0.077 0.000 1.107 78 F HN 0.547 nan 8.300 nan 0.000 0.577 79 G N -1.384 107.514 108.800 0.163 0.000 2.921 79 G HA2 0.344 4.304 3.960 -0.000 0.000 0.291 79 G HA3 0.344 4.304 3.960 -0.000 0.000 0.291 79 G C -1.025 173.895 174.900 0.032 0.000 1.370 79 G CA -0.695 44.464 45.100 0.098 0.000 0.847 79 G HN -0.131 nan 8.290 nan 0.000 0.532 80 S N -0.299 115.413 115.700 0.019 0.000 2.546 80 S HA 0.099 4.569 4.470 -0.000 0.000 0.290 80 S C 1.335 175.912 174.600 -0.039 0.000 1.290 80 S CA 0.463 58.659 58.200 -0.006 0.000 1.069 80 S CB 0.473 63.672 63.200 -0.001 0.000 0.846 80 S HN 0.557 nan 8.310 nan 0.000 0.495 81 D N 4.189 124.558 120.400 -0.052 0.000 2.378 81 D HA -0.138 4.502 4.640 -0.000 0.000 0.222 81 D C 1.610 177.860 176.300 -0.082 0.000 0.980 81 D CA 0.557 54.506 54.000 -0.086 0.000 0.907 81 D CB -0.227 40.528 40.800 -0.074 0.000 0.899 81 D HN 0.664 nan 8.370 nan 0.000 0.527 82 R N 0.568 121.036 120.500 -0.054 0.000 2.115 82 R HA 0.017 4.357 4.340 -0.000 0.000 0.230 82 R C 1.751 178.022 176.300 -0.049 0.000 1.111 82 R CA 0.522 56.596 56.100 -0.043 0.000 0.976 82 R CB -0.238 30.048 30.300 -0.024 0.000 0.870 82 R HN 0.236 nan 8.270 nan 0.000 0.445 83 L N 0.933 122.121 121.223 -0.058 0.000 2.551 83 L HA 0.050 4.390 4.340 -0.000 0.000 0.228 83 L C -0.011 176.808 176.870 -0.084 0.000 1.153 83 L CA 0.092 54.902 54.840 -0.050 0.000 0.851 83 L CB 0.307 42.348 42.059 -0.030 0.000 0.959 83 L HN -0.061 nan 8.230 nan 0.000 0.451 84 V N -0.149 119.680 119.914 -0.141 0.000 2.495 84 V HA 0.330 4.450 4.120 -0.000 0.000 0.298 84 V C -0.034 176.000 176.094 -0.100 0.000 1.031 84 V CA -0.866 61.325 62.300 -0.183 0.000 0.871 84 V CB 1.997 33.572 31.823 -0.413 0.000 0.988 84 V HN 0.095 nan 8.190 nan 0.000 0.432 85 K N 1.790 122.161 120.400 -0.049 0.000 2.313 85 K HA 0.532 4.852 4.320 -0.000 0.000 0.235 85 K C -0.360 176.239 176.600 -0.001 0.000 1.035 85 K CA -0.878 55.397 56.287 -0.021 0.000 0.868 85 K CB 2.032 34.530 32.500 -0.003 0.000 1.232 85 K HN 0.763 nan 8.250 nan 0.000 0.459 86 E N -0.039 120.164 120.200 0.005 0.000 2.383 86 E HA 0.104 4.454 4.350 -0.000 0.000 0.264 86 E C 0.302 176.921 176.600 0.033 0.000 1.050 86 E CA 0.524 56.934 56.400 0.018 0.000 0.896 86 E CB 0.462 30.168 29.700 0.009 0.000 0.982 86 E HN 0.726 nan 8.360 nan 0.000 0.424 87 G N 2.903 111.732 108.800 0.048 0.000 2.168 87 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 87 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 87 G C 0.197 175.138 174.900 0.069 0.000 0.997 87 G CA 0.773 45.907 45.100 0.056 0.000 0.708 87 G HN 0.606 nan 8.290 nan 0.000 0.520 88 E N -1.063 119.188 120.200 0.086 0.000 2.391 88 E HA 0.641 4.991 4.350 -0.000 0.000 0.255 88 E C 0.448 177.121 176.600 0.122 0.000 1.187 88 E CA -0.633 55.830 56.400 0.105 0.000 0.941 88 E CB 0.491 30.270 29.700 0.132 0.000 1.010 88 E HN 0.329 nan 8.360 nan 0.000 0.458 89 L N 2.096 123.388 121.223 0.114 0.000 2.325 89 L HA 0.476 4.816 4.340 -0.000 0.000 0.279 89 L C -1.353 175.560 176.870 0.072 0.000 1.054 89 L CA -0.519 54.369 54.840 0.081 0.000 0.804 89 L CB 1.523 43.613 42.059 0.052 0.000 1.200 89 L HN 0.310 nan 8.230 nan 0.000 0.436 90 V N 4.333 124.245 119.914 -0.003 0.000 2.638 90 V HA 0.537 4.657 4.120 -0.000 0.000 0.306 90 V C -0.437 175.574 176.094 -0.139 0.000 1.052 90 V CA -0.951 61.261 62.300 -0.147 0.000 0.885 90 V CB 1.826 33.516 31.823 -0.222 0.000 0.999 90 V HN 0.673 nan 8.190 nan 0.000 0.424 91 K N 2.947 123.244 120.400 -0.171 0.000 2.259 91 K HA 0.650 4.970 4.320 -0.000 0.000 0.249 91 K C -0.448 176.076 176.600 -0.126 0.000 0.942 91 K CA -0.925 55.294 56.287 -0.114 0.000 0.816 91 K CB 2.558 35.014 32.500 -0.074 0.000 1.155 91 K HN 0.545 nan 8.250 nan 0.000 0.428 92 R N 0.106 120.553 120.500 -0.088 0.000 2.615 92 R HA 0.091 4.431 4.340 -0.000 0.000 0.270 92 R C 1.052 177.320 176.300 -0.053 0.000 1.081 92 R CA 0.170 56.227 56.100 -0.072 0.000 1.154 92 R CB 0.740 31.007 30.300 -0.055 0.000 1.063 92 R HN 0.815 nan 8.270 nan 0.000 0.519 93 T N -2.934 111.596 114.554 -0.040 0.000 2.959 93 T HA 0.158 4.508 4.350 -0.000 0.000 0.254 93 T C 1.193 175.882 174.700 -0.017 0.000 1.003 93 T CA 0.326 62.411 62.100 -0.025 0.000 0.950 93 T CB 0.595 69.454 68.868 -0.015 0.000 1.090 93 T HN 0.797 nan 8.240 nan 0.000 0.503 94 G N 1.959 110.748 108.800 -0.018 0.000 2.198 94 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 94 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 94 G C -0.312 174.586 174.900 -0.005 0.000 1.025 94 G CA -0.023 45.070 45.100 -0.012 0.000 0.769 94 G HN 0.634 nan 8.290 nan 0.000 0.507 95 N N -0.267 118.433 118.700 0.001 0.000 2.410 95 N HA 0.445 5.185 4.740 -0.000 0.000 0.287 95 N C 0.354 175.876 175.510 0.019 0.000 1.044 95 N CA -0.535 52.520 53.050 0.007 0.000 0.881 95 N CB 1.357 39.846 38.487 0.004 0.000 1.405 95 N HN 0.229 nan 8.380 nan 0.000 0.490 96 I N 1.395 121.977 120.570 0.020 0.000 2.634 96 I HA 0.053 4.223 4.170 -0.000 0.000 0.284 96 I C 0.675 176.813 176.117 0.034 0.000 1.124 96 I CA -0.725 60.592 61.300 0.029 0.000 1.417 96 I CB 0.687 38.701 38.000 0.023 0.000 1.396 96 I HN 0.106 nan 8.210 nan 0.000 0.571 97 V N 5.588 125.534 119.914 0.053 0.000 2.621 97 V HA -0.131 3.989 4.120 -0.000 0.000 0.300 97 V C 0.018 176.130 176.094 0.030 0.000 1.031 97 V CA 0.437 62.771 62.300 0.057 0.000 1.210 97 V CB -1.058 30.823 31.823 0.096 0.000 0.864 97 V HN 0.840 nan 8.190 nan 0.000 0.477 98 D N 3.789 124.198 120.400 0.015 0.000 2.592 98 D HA 0.753 5.393 4.640 -0.000 0.000 0.263 98 D C -0.812 175.485 176.300 -0.004 0.000 1.132 98 D CA -0.859 53.147 54.000 0.009 0.000 0.996 98 D CB 2.300 43.104 40.800 0.007 0.000 1.442 98 D HN 0.447 nan 8.370 nan 0.000 0.486 99 V N -0.544 119.368 119.914 -0.003 0.000 2.891 99 V HA 0.469 4.589 4.120 -0.000 0.000 0.304 99 V C -2.871 173.208 176.094 -0.024 0.000 1.171 99 V CA -1.912 60.378 62.300 -0.016 0.000 0.943 99 V CB 2.519 34.338 31.823 -0.006 0.000 1.037 99 V HN 0.570 nan 8.190 nan 0.000 0.427 100 P HA 0.155 nan 4.420 nan 0.000 0.262 100 P C -0.384 176.856 177.300 -0.099 0.000 1.199 100 P CA 0.579 63.636 63.100 -0.071 0.000 0.763 100 P CB 0.860 32.514 31.700 -0.077 0.000 0.790 101 V N 0.948 120.779 119.914 -0.138 0.000 3.019 101 V HA 1.023 5.143 4.120 -0.000 0.000 0.317 101 V C 0.175 175.929 176.094 -0.568 0.000 1.094 101 V CA -0.195 61.966 62.300 -0.233 0.000 1.000 101 V CB 1.360 33.134 31.823 -0.082 0.000 1.060 101 V HN 0.933 nan 8.190 nan 0.000 0.443 102 G N 1.917 110.122 108.800 -0.992 0.000 2.347 102 G HA2 0.161 4.121 3.960 -0.000 0.000 0.477 102 G HA3 0.161 4.121 3.960 -0.000 0.000 0.477 102 G C -2.891 171.306 174.900 -1.171 0.000 1.349 102 G CA -0.104 43.986 45.100 -1.683 0.000 1.000 102 G HN 0.621 nan 8.290 nan 0.000 0.605 103 P HA 0.095 nan 4.420 nan 0.000 0.234 103 P C 1.827 178.947 177.300 -0.300 0.000 1.167 103 P CA 1.503 64.258 63.100 -0.576 0.000 0.763 103 P CB 0.033 31.478 31.700 -0.424 0.000 0.835 104 G N 0.218 108.824 108.800 -0.322 0.000 2.408 104 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.217 104 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.217 104 G C 1.123 175.944 174.900 -0.132 0.000 1.150 104 G CA 0.475 45.460 45.100 -0.191 0.000 0.776 104 G HN 0.214 nan 8.290 nan 0.000 0.542 105 L N 0.542 121.680 121.223 -0.141 0.000 2.551 105 L HA 0.246 4.586 4.340 -0.000 0.000 0.228 105 L C 1.119 177.972 176.870 -0.030 0.000 1.153 105 L CA 0.019 54.815 54.840 -0.074 0.000 0.851 105 L CB -0.501 41.519 42.059 -0.065 0.000 0.959 105 L HN 0.082 nan 8.230 nan 0.000 0.451 106 L N 1.108 122.319 121.223 -0.020 0.000 2.584 106 L HA 0.111 4.451 4.340 -0.000 0.000 0.272 106 L C 1.362 178.237 176.870 0.010 0.000 1.195 106 L CA 0.667 55.522 54.840 0.025 0.000 0.920 106 L CB -0.371 41.712 42.059 0.039 0.000 1.173 106 L HN 0.462 nan 8.230 nan 0.000 0.489 107 G N 2.376 111.180 108.800 0.005 0.000 2.160 107 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 107 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 107 G C 0.078 174.964 174.900 -0.024 0.000 1.022 107 G CA -0.430 44.659 45.100 -0.019 0.000 0.741 107 G HN 0.476 nan 8.290 nan 0.000 0.508 108 R N -0.986 119.502 120.500 -0.021 0.000 2.854 108 R HA 0.730 5.070 4.340 -0.000 0.000 0.271 108 R C -0.529 175.760 176.300 -0.018 0.000 0.996 108 R CA -0.889 55.197 56.100 -0.023 0.000 0.961 108 R CB 1.969 32.252 30.300 -0.027 0.000 1.182 108 R HN 0.234 nan 8.270 nan 0.000 0.479 109 V N 2.624 122.528 119.914 -0.018 0.000 2.378 109 V HA 0.417 4.537 4.120 -0.000 0.000 0.288 109 V C 0.302 176.391 176.094 -0.009 0.000 1.016 109 V CA -0.640 61.653 62.300 -0.011 0.000 0.840 109 V CB 1.429 33.244 31.823 -0.014 0.000 0.994 109 V HN 0.617 nan 8.190 nan 0.000 0.431 110 V N 1.611 121.523 119.914 -0.004 0.000 3.182 110 V HA 0.838 4.958 4.120 -0.000 0.000 0.311 110 V C -0.422 175.672 176.094 0.000 0.000 1.221 110 V CA -0.775 61.520 62.300 -0.008 0.000 1.060 110 V CB 2.130 33.943 31.823 -0.017 0.000 1.164 110 V HN 0.724 nan 8.190 nan 0.000 0.466 111 D N 0.067 120.462 120.400 -0.009 0.000 2.567 111 D HA 0.540 5.180 4.640 -0.000 0.000 0.275 111 D C 1.036 177.333 176.300 -0.004 0.000 1.195 111 D CA -0.085 53.914 54.000 -0.003 0.000 1.087 111 D CB 1.036 41.827 40.800 -0.015 0.000 1.165 111 D HN 0.835 nan 8.370 nan 0.000 0.609 112 A N -1.000 121.821 122.820 0.002 0.000 2.172 112 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 112 A C 2.055 179.626 177.584 -0.022 0.000 1.154 112 A CA 0.809 52.854 52.037 0.013 0.000 0.701 112 A CB -0.758 18.278 19.000 0.059 0.000 0.789 112 A HN 0.492 nan 8.150 nan 0.000 0.465 113 L N -3.108 118.075 121.223 -0.067 0.000 2.537 113 L HA 0.326 4.666 4.340 -0.000 0.000 0.224 113 L C 1.710 178.542 176.870 -0.062 0.000 1.065 113 L CA 0.739 55.522 54.840 -0.095 0.000 0.860 113 L CB 0.367 42.315 42.059 -0.186 0.000 1.086 113 L HN 0.493 nan 8.230 nan 0.000 0.482 114 G N -0.546 108.224 108.800 -0.050 0.000 2.227 114 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.168 114 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.168 114 G C -0.147 174.727 174.900 -0.044 0.000 1.006 114 G CA -0.612 44.463 45.100 -0.042 0.000 0.684 114 G HN 0.198 nan 8.290 nan 0.000 0.489 115 N N 2.556 121.226 118.700 -0.050 0.000 2.475 115 N HA 0.416 5.156 4.740 -0.000 0.000 0.267 115 N C -2.655 172.836 175.510 -0.032 0.000 1.169 115 N CA -0.902 52.122 53.050 -0.043 0.000 0.947 115 N CB 0.979 39.436 38.487 -0.049 0.000 1.061 115 N HN 0.144 nan 8.380 nan 0.000 0.466 116 P HA 0.070 nan 4.420 nan 0.000 0.265 116 P C 0.704 177.993 177.300 -0.018 0.000 1.193 116 P CA 0.129 63.215 63.100 -0.024 0.000 0.765 116 P CB 0.419 32.104 31.700 -0.025 0.000 0.823 117 I N -0.250 120.312 120.570 -0.014 0.000 4.240 117 I HA 0.169 4.339 4.170 -0.000 0.000 0.331 117 I C 0.641 176.753 176.117 -0.009 0.000 1.381 117 I CA -0.066 61.229 61.300 -0.009 0.000 1.136 117 I CB 0.169 38.167 38.000 -0.003 0.000 1.137 117 I HN 0.066 nan 8.210 nan 0.000 0.411 118 D N 1.984 122.377 120.400 -0.012 0.000 2.347 118 D HA 0.016 4.656 4.640 -0.000 0.000 0.215 118 D C 1.670 177.961 176.300 -0.014 0.000 0.976 118 D CA 0.841 54.833 54.000 -0.014 0.000 0.884 118 D CB -0.391 40.398 40.800 -0.018 0.000 0.915 118 D HN 0.483 nan 8.370 nan 0.000 0.526 119 G N 0.997 109.789 108.800 -0.013 0.000 2.249 119 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.273 119 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.273 119 G C 0.426 175.318 174.900 -0.014 0.000 1.036 119 G CA 0.348 45.441 45.100 -0.012 0.000 0.824 119 G HN 0.465 nan 8.290 nan 0.000 0.504 120 K N 0.049 120.440 120.400 -0.016 0.000 2.699 120 K HA 0.483 4.803 4.320 -0.000 0.000 0.210 120 K C 1.252 177.841 176.600 -0.019 0.000 1.076 120 K CA 0.221 56.498 56.287 -0.017 0.000 1.109 120 K CB 0.482 32.971 32.500 -0.019 0.000 0.862 120 K HN 1.394 nan 8.250 nan 0.000 0.470 121 G N 2.075 110.864 108.800 -0.018 0.000 2.582 121 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.222 121 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.222 121 G C -2.901 171.985 174.900 -0.023 0.000 1.311 121 G CA -1.209 43.879 45.100 -0.019 0.000 0.915 121 G HN 0.077 nan 8.290 nan 0.000 0.528 122 P HA 0.657 nan 4.420 nan 0.000 0.278 122 P C -0.256 177.022 177.300 -0.037 0.000 1.266 122 P CA -0.741 62.340 63.100 -0.030 0.000 0.807 122 P CB 0.614 32.297 31.700 -0.029 0.000 1.094 123 I N 1.448 121.991 120.570 -0.044 0.000 2.321 123 I HA 0.163 4.333 4.170 -0.000 0.000 0.291 123 I C -0.266 175.812 176.117 -0.066 0.000 0.998 123 I CA -0.529 60.737 61.300 -0.057 0.000 1.227 123 I CB 0.521 38.484 38.000 -0.062 0.000 1.368 123 I HN 0.234 nan 8.210 nan 0.000 0.466 124 D N 5.913 126.268 120.400 -0.074 0.000 2.402 124 D HA 0.344 4.984 4.640 -0.000 0.000 0.235 124 D C 0.493 176.725 176.300 -0.114 0.000 1.226 124 D CA 0.129 54.081 54.000 -0.081 0.000 0.918 124 D CB 0.740 41.496 40.800 -0.073 0.000 1.043 124 D HN 0.585 nan 8.370 nan 0.000 0.506 125 A N 1.813 124.568 122.820 -0.108 0.000 2.388 125 A HA 0.541 4.861 4.320 -0.000 0.000 0.257 125 A C 1.162 178.660 177.584 -0.144 0.000 1.095 125 A CA -0.291 51.662 52.037 -0.140 0.000 0.791 125 A CB 0.893 19.830 19.000 -0.105 0.000 1.029 125 A HN 0.558 nan 8.150 nan 0.000 0.489 126 A N 1.572 124.264 122.820 -0.214 0.000 2.195 126 A HA 0.557 4.877 4.320 -0.000 0.000 0.210 126 A C 1.031 178.576 177.584 -0.064 0.000 1.165 126 A CA 1.097 53.038 52.037 -0.161 0.000 0.806 126 A CB -0.276 18.557 19.000 -0.278 0.000 0.847 126 A HN 2.183 nan 8.150 nan 0.000 0.482 127 G N -1.031 107.723 108.800 -0.077 0.000 2.349 127 G HA2 0.500 4.460 3.960 -0.000 0.000 0.294 127 G HA3 0.500 4.460 3.960 -0.000 0.000 0.294 127 G C -1.598 173.291 174.900 -0.019 0.000 1.380 127 G CA -1.009 44.086 45.100 -0.008 0.000 0.811 127 G HN 0.179 nan 8.290 nan 0.000 0.519 128 R N -0.040 120.465 120.500 0.009 0.000 2.561 128 R HA 0.730 5.070 4.340 -0.000 0.000 0.297 128 R C -1.101 175.216 176.300 0.027 0.000 0.969 128 R CA -0.682 55.421 56.100 0.006 0.000 0.879 128 R CB 2.218 32.516 30.300 -0.003 0.000 1.178 128 R HN 0.467 nan 8.270 nan 0.000 0.445 129 S N 1.782 117.501 115.700 0.032 0.000 2.548 129 S HA 0.479 4.949 4.470 -0.000 0.000 0.286 129 S C -0.299 174.322 174.600 0.035 0.000 1.098 129 S CA -0.949 57.277 58.200 0.044 0.000 0.930 129 S CB 2.197 65.439 63.200 0.070 0.000 1.070 129 S HN 0.414 nan 8.310 nan 0.000 0.480 130 R N 0.572 121.092 120.500 0.034 0.000 2.679 130 R HA 0.375 4.715 4.340 -0.000 0.000 0.269 130 R C 1.272 177.594 176.300 0.038 0.000 1.076 130 R CA 0.001 56.118 56.100 0.029 0.000 1.160 130 R CB 0.178 30.492 30.300 0.022 0.000 1.054 130 R HN 0.776 nan 8.270 nan 0.000 0.507 131 A N 1.495 124.334 122.820 0.031 0.000 2.066 131 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 131 A C 0.323 177.935 177.584 0.047 0.000 1.157 131 A CA 1.054 53.120 52.037 0.048 0.000 0.670 131 A CB 0.218 19.234 19.000 0.027 0.000 0.804 131 A HN 0.484 nan 8.150 nan 0.000 0.453 132 Q N 0.636 120.430 119.800 -0.011 0.000 2.462 132 Q HA 0.475 4.815 4.340 -0.000 0.000 0.247 132 Q C -1.379 174.630 176.000 0.014 0.000 1.044 132 Q CA -0.028 55.754 55.803 -0.035 0.000 0.803 132 Q CB 1.343 30.012 28.738 -0.114 0.000 1.190 132 Q HN 0.149 nan 8.270 nan 0.000 0.507 133 V N 2.242 122.184 119.914 0.047 0.000 2.604 133 V HA 0.356 4.476 4.120 -0.000 0.000 0.305 133 V C 0.286 176.406 176.094 0.042 0.000 1.043 133 V CA -1.026 61.300 62.300 0.043 0.000 0.888 133 V CB 2.215 34.067 31.823 0.049 0.000 0.995 133 V HN 0.521 nan 8.190 nan 0.000 0.429 134 K N 2.419 122.841 120.400 0.036 0.000 2.414 134 K HA 0.504 4.824 4.320 -0.000 0.000 0.272 134 K C 0.326 176.946 176.600 0.034 0.000 0.993 134 K CA -0.001 56.309 56.287 0.038 0.000 0.964 134 K CB 0.758 33.282 32.500 0.040 0.000 0.925 134 K HN 0.863 nan 8.250 nan 0.000 0.487 135 A N 3.921 126.761 122.820 0.033 0.000 2.332 135 A HA 0.304 4.624 4.320 -0.000 0.000 0.258 135 A C -2.159 175.440 177.584 0.024 0.000 1.087 135 A CA -1.356 50.696 52.037 0.025 0.000 0.802 135 A CB -0.311 18.701 19.000 0.019 0.000 1.042 135 A HN 0.447 nan 8.150 nan 0.000 0.489 136 P HA 0.185 nan 4.420 nan 0.000 0.263 136 P C 0.721 178.033 177.300 0.020 0.000 1.195 136 P CA 0.670 63.781 63.100 0.017 0.000 0.762 136 P CB 0.456 32.164 31.700 0.014 0.000 0.799 137 G N 2.774 111.586 108.800 0.020 0.000 2.479 137 G HA2 0.013 3.973 3.960 -0.000 0.000 0.275 137 G HA3 0.013 3.973 3.960 -0.000 0.000 0.275 137 G C 1.073 175.986 174.900 0.022 0.000 1.421 137 G CA -0.447 44.667 45.100 0.023 0.000 1.059 137 G HN 0.329 nan 8.290 nan 0.000 0.535 138 I N -0.702 119.881 120.570 0.022 0.000 2.193 138 I HA -0.055 4.115 4.170 -0.000 0.000 0.240 138 I C 2.764 178.892 176.117 0.018 0.000 1.084 138 I CA 0.823 62.135 61.300 0.020 0.000 1.365 138 I CB -1.240 36.773 38.000 0.020 0.000 1.064 138 I HN 0.291 nan 8.210 nan 0.000 0.410 139 L N 1.910 123.143 121.223 0.015 0.000 1.994 139 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 139 L C -0.848 176.029 176.870 0.013 0.000 1.071 139 L CA 2.129 56.977 54.840 0.013 0.000 0.745 139 L CB -1.886 40.179 42.059 0.011 0.000 0.892 139 L HN 0.116 nan 8.230 nan 0.000 0.431 140 P HA 0.014 nan 4.420 nan 0.000 0.269 140 P C -0.636 176.672 177.300 0.013 0.000 1.461 140 P CA 0.548 63.654 63.100 0.009 0.000 0.809 140 P CB -0.130 31.573 31.700 0.006 0.000 1.503 141 R N 0.028 120.539 120.500 0.018 0.000 2.854 141 R HA 0.617 4.957 4.340 -0.000 0.000 0.271 141 R C -0.062 176.257 176.300 0.031 0.000 0.996 141 R CA -0.923 55.191 56.100 0.024 0.000 0.961 141 R CB 2.257 32.571 30.300 0.023 0.000 1.182 141 R HN -0.089 nan 8.270 nan 0.000 0.479 142 R N 0.509 121.035 120.500 0.043 0.000 2.744 142 R HA 0.306 4.646 4.340 -0.000 0.000 0.279 142 R C -1.061 175.285 176.300 0.077 0.000 0.977 142 R CA -0.518 55.620 56.100 0.062 0.000 0.906 142 R CB 2.310 32.662 30.300 0.088 0.000 1.197 142 R HN 0.680 nan 8.270 nan 0.000 0.463 143 S N 1.900 117.651 115.700 0.085 0.000 2.515 143 S HA 0.057 4.527 4.470 -0.000 0.000 0.285 143 S C 0.322 175.015 174.600 0.155 0.000 1.265 143 S CA -0.442 57.812 58.200 0.089 0.000 1.079 143 S CB 0.512 63.751 63.200 0.064 0.000 0.877 143 S HN 0.339 nan 8.310 nan 0.000 0.493 144 V N 5.433 125.396 119.914 0.082 0.000 2.720 144 V HA 0.005 4.125 4.120 -0.000 0.000 0.307 144 V C 1.433 177.587 176.094 0.100 0.000 1.071 144 V CA 0.829 63.148 62.300 0.033 0.000 1.199 144 V CB -0.286 31.533 31.823 -0.007 0.000 0.900 144 V HN 1.147 nan 8.190 nan 0.000 0.494 145 H N 0.655 119.707 119.070 -0.031 0.000 3.774 145 H HA 0.250 4.806 4.556 -0.000 0.000 0.262 145 H C 0.063 175.358 175.328 -0.054 0.000 1.114 145 H CA -0.402 55.626 56.048 -0.033 0.000 1.194 145 H CB 0.336 30.085 29.762 -0.022 0.000 1.536 145 H HN 0.615 nan 8.280 nan 0.000 0.860 146 E N 3.998 123.914 120.200 -0.473 0.000 2.200 146 E HA 0.327 4.677 4.350 -0.000 0.000 0.283 146 E C -2.710 173.738 176.600 -0.255 0.000 1.015 146 E CA -1.956 54.218 56.400 -0.376 0.000 0.819 146 E CB 1.825 31.222 29.700 -0.505 0.000 1.081 146 E HN 0.200 nan 8.360 nan 0.000 0.397 147 P HA 0.042 nan 4.420 nan 0.000 0.282 147 P C -0.700 176.439 177.300 -0.269 0.000 1.274 147 P CA -0.280 62.711 63.100 -0.181 0.000 0.770 147 P CB 0.679 32.306 31.700 -0.122 0.000 0.867 148 V N 5.325 125.099 119.914 -0.234 0.000 2.267 148 V HA 0.068 4.188 4.120 -0.000 0.000 0.254 148 V C 0.688 176.646 176.094 -0.226 0.000 1.144 148 V CA -0.095 62.043 62.300 -0.271 0.000 0.992 148 V CB -0.777 30.924 31.823 -0.203 0.000 1.199 148 V HN 0.500 nan 8.190 nan 0.000 0.493 149 Q N 2.007 121.634 119.800 -0.288 0.000 2.262 149 Q HA 0.087 4.427 4.340 -0.000 0.000 0.272 149 Q C 1.456 177.390 176.000 -0.110 0.000 1.076 149 Q CA 0.359 56.066 55.803 -0.158 0.000 0.905 149 Q CB 0.836 29.515 28.738 -0.098 0.000 1.182 149 Q HN 0.849 nan 8.270 nan 0.000 0.390 150 T N -0.861 113.663 114.554 -0.051 0.000 3.043 150 T HA 0.107 4.457 4.350 -0.000 0.000 0.263 150 T C 1.406 176.116 174.700 0.016 0.000 1.094 150 T CA 0.517 62.601 62.100 -0.026 0.000 1.127 150 T CB 0.076 68.930 68.868 -0.022 0.000 0.905 150 T HN 0.893 nan 8.240 nan 0.000 0.490 151 G N 1.183 110.008 108.800 0.042 0.000 2.217 151 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.246 151 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.246 151 G C -0.041 174.888 174.900 0.049 0.000 0.990 151 G CA 0.039 45.180 45.100 0.069 0.000 0.627 151 G HN 0.620 nan 8.290 nan 0.000 0.522 152 L N 0.936 122.178 121.223 0.030 0.000 2.290 152 L HA 0.399 4.739 4.340 -0.000 0.000 0.284 152 L C 1.763 178.651 176.870 0.030 0.000 1.078 152 L CA -0.632 54.224 54.840 0.026 0.000 0.815 152 L CB 1.170 43.236 42.059 0.013 0.000 1.162 152 L HN 0.084 nan 8.230 nan 0.000 0.435 153 K N 2.609 123.030 120.400 0.035 0.000 2.009 153 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 153 K C 1.889 178.508 176.600 0.032 0.000 1.049 153 K CA 1.742 58.052 56.287 0.038 0.000 0.929 153 K CB -0.156 32.370 32.500 0.043 0.000 0.714 153 K HN 0.801 nan 8.250 nan 0.000 0.440 154 A N 0.653 123.490 122.820 0.028 0.000 2.172 154 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 154 A C 2.061 179.661 177.584 0.026 0.000 1.154 154 A CA 1.072 53.125 52.037 0.026 0.000 0.701 154 A CB -0.195 18.820 19.000 0.024 0.000 0.789 154 A HN 0.083 nan 8.150 nan 0.000 0.465 155 V N -0.758 119.169 119.914 0.022 0.000 2.602 155 V HA -0.049 4.071 4.120 -0.000 0.000 0.235 155 V C 1.853 177.956 176.094 0.015 0.000 1.087 155 V CA 1.202 63.511 62.300 0.016 0.000 1.117 155 V CB -0.645 31.183 31.823 0.008 0.000 0.820 155 V HN 0.352 nan 8.190 nan 0.000 0.490 156 D N 0.900 121.309 120.400 0.015 0.000 2.221 156 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 156 D C 1.920 178.232 176.300 0.020 0.000 0.982 156 D CA 1.671 55.680 54.000 0.014 0.000 0.857 156 D CB 0.028 40.841 40.800 0.023 0.000 0.934 156 D HN 0.460 nan 8.370 nan 0.000 0.475 157 A N -0.584 122.252 122.820 0.027 0.000 1.973 157 A HA 0.143 4.463 4.320 -0.000 0.000 0.210 157 A C 2.209 179.811 177.584 0.031 0.000 1.200 157 A CA 0.163 52.219 52.037 0.031 0.000 0.707 157 A CB -0.048 18.974 19.000 0.037 0.000 0.862 157 A HN 0.131 nan 8.150 nan 0.000 0.461 158 L N -0.857 120.384 121.223 0.030 0.000 2.189 158 L HA 0.129 4.469 4.340 -0.000 0.000 0.199 158 L C 0.018 176.905 176.870 0.029 0.000 1.074 158 L CA 0.596 55.456 54.840 0.034 0.000 0.783 158 L CB 0.168 42.250 42.059 0.038 0.000 0.955 158 L HN 0.072 nan 8.230 nan 0.000 0.460 159 V N 1.148 121.076 119.914 0.024 0.000 2.260 159 V HA 0.284 4.404 4.120 -0.000 0.000 0.263 159 V C -2.463 173.636 176.094 0.008 0.000 1.036 159 V CA -1.402 60.910 62.300 0.019 0.000 0.874 159 V CB 0.386 32.224 31.823 0.023 0.000 1.116 159 V HN 0.021 nan 8.190 nan 0.000 0.454 160 P HA 0.296 nan 4.420 nan 0.000 0.271 160 P C -0.402 176.887 177.300 -0.019 0.000 1.220 160 P CA 0.018 63.113 63.100 -0.008 0.000 0.768 160 P CB 0.761 32.458 31.700 -0.005 0.000 0.848 161 I N 2.397 122.946 120.570 -0.035 0.000 2.488 161 I HA 0.557 4.727 4.170 -0.000 0.000 0.299 161 I C 1.187 177.263 176.117 -0.068 0.000 0.984 161 I CA 0.168 61.441 61.300 -0.046 0.000 1.250 161 I CB 1.125 39.093 38.000 -0.053 0.000 1.389 161 I HN 0.322 nan 8.210 nan 0.000 0.488 162 G N 3.668 112.428 108.800 -0.067 0.000 2.473 162 G HA2 0.539 4.499 3.960 -0.000 0.000 0.321 162 G HA3 0.539 4.499 3.960 -0.000 0.000 0.321 162 G C -0.655 174.181 174.900 -0.107 0.000 1.200 162 G CA -0.965 44.082 45.100 -0.090 0.000 0.963 162 G HN 0.462 nan 8.290 nan 0.000 0.483 163 R N 0.481 120.890 120.500 -0.152 0.000 2.357 163 R HA 0.386 4.726 4.340 -0.000 0.000 0.330 163 R C 1.131 177.379 176.300 -0.087 0.000 1.102 163 R CA 1.001 57.013 56.100 -0.146 0.000 0.974 163 R CB 0.448 30.607 30.300 -0.236 0.000 1.002 163 R HN 1.082 nan 8.270 nan 0.000 0.463 164 G N 1.897 110.668 108.800 -0.048 0.000 2.284 164 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.201 164 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.201 164 G C 0.174 175.063 174.900 -0.017 0.000 0.998 164 G CA -0.261 44.827 45.100 -0.020 0.000 0.651 164 G HN 0.565 nan 8.290 nan 0.000 0.489 165 Q N 0.915 120.698 119.800 -0.028 0.000 2.354 165 Q HA 0.557 4.897 4.340 -0.000 0.000 0.244 165 Q C -0.019 175.972 176.000 -0.014 0.000 0.969 165 Q CA -0.402 55.390 55.803 -0.019 0.000 0.885 165 Q CB 0.349 29.072 28.738 -0.025 0.000 1.241 165 Q HN 0.507 nan 8.270 nan 0.000 0.461 166 R N 2.815 123.312 120.500 -0.006 0.000 2.310 166 R HA 0.265 4.605 4.340 -0.000 0.000 0.316 166 R C -1.214 175.087 176.300 0.001 0.000 1.004 166 R CA -0.649 55.452 56.100 0.000 0.000 0.900 166 R CB 1.032 31.332 30.300 -0.001 0.000 1.152 166 R HN 0.465 nan 8.270 nan 0.000 0.513 167 E N 2.980 123.180 120.200 0.000 0.000 2.109 167 E HA 0.142 4.492 4.350 -0.000 0.000 0.278 167 E C -1.178 175.429 176.600 0.011 0.000 0.954 167 E CA -0.888 55.515 56.400 0.004 0.000 0.779 167 E CB 0.937 30.636 29.700 -0.002 0.000 1.093 167 E HN 0.398 nan 8.360 nan 0.000 0.401 168 L N 6.267 127.501 121.223 0.018 0.000 2.369 168 L HA 0.364 4.704 4.340 -0.000 0.000 0.279 168 L C -0.785 176.103 176.870 0.030 0.000 1.108 168 L CA 0.226 55.080 54.840 0.025 0.000 0.852 168 L CB 0.276 42.351 42.059 0.028 0.000 1.169 168 L HN 0.608 nan 8.230 nan 0.000 0.452 169 I N 7.287 127.869 120.570 0.020 0.000 2.308 169 I HA 0.275 4.445 4.170 -0.000 0.000 0.293 169 I C -0.003 176.124 176.117 0.016 0.000 1.078 169 I CA 0.105 61.412 61.300 0.012 0.000 1.292 169 I CB 0.404 38.398 38.000 -0.009 0.000 1.423 169 I HN 0.597 nan 8.210 nan 0.000 0.493 170 I N 5.289 125.883 120.570 0.040 0.000 2.646 170 I HA 0.880 5.050 4.170 -0.000 0.000 0.299 170 I C 0.013 176.125 176.117 -0.008 0.000 1.036 170 I CA -0.059 61.280 61.300 0.065 0.000 1.074 170 I CB 2.014 40.104 38.000 0.150 0.000 1.258 170 I HN 0.687 nan 8.210 nan 0.000 0.430 171 G N 5.086 113.851 108.800 -0.058 0.000 2.320 171 G HA2 0.099 4.059 3.960 -0.000 0.000 0.297 171 G HA3 0.099 4.059 3.960 -0.000 0.000 0.297 171 G C -1.835 172.970 174.900 -0.158 0.000 1.344 171 G CA -0.806 44.125 45.100 -0.282 0.000 0.851 171 G HN 0.490 nan 8.290 nan 0.000 0.567 172 D N 0.234 120.513 120.400 -0.202 0.000 2.369 172 D HA 0.290 4.930 4.640 -0.000 0.000 0.241 172 D C 1.290 177.509 176.300 -0.135 0.000 1.271 172 D CA 0.069 54.001 54.000 -0.114 0.000 0.942 172 D CB 0.525 41.264 40.800 -0.101 0.000 1.129 172 D HN 0.682 nan 8.370 nan 0.000 0.476 173 R N -0.118 120.329 120.500 -0.089 0.000 2.738 173 R HA 0.073 4.413 4.340 -0.000 0.000 0.268 173 R C -0.219 175.982 176.300 -0.165 0.000 1.062 173 R CA -0.316 55.728 56.100 -0.093 0.000 1.158 173 R CB 0.074 30.351 30.300 -0.040 0.000 1.046 173 R HN 0.350 nan 8.270 nan 0.000 0.493 174 Q N -0.216 119.475 119.800 -0.180 0.000 2.443 174 Q HA -0.194 4.146 4.340 -0.000 0.000 0.337 174 Q C -0.145 175.489 176.000 -0.611 0.000 1.401 174 Q CA 1.201 56.835 55.803 -0.282 0.000 0.943 174 Q CB -1.141 27.501 28.738 -0.159 0.000 1.177 174 Q HN 0.988 nan 8.270 nan 0.000 0.394 175 T N -5.765 108.424 114.554 -0.608 0.000 2.986 175 T HA 0.460 4.810 4.350 -0.000 0.000 0.264 175 T C 1.089 175.442 174.700 -0.579 0.000 0.964 175 T CA 0.478 62.086 62.100 -0.820 0.000 0.895 175 T CB 1.279 69.852 68.868 -0.491 0.000 1.163 175 T HN 0.876 nan 8.240 nan 0.000 0.517 176 G N 1.709 110.300 108.800 -0.348 0.000 2.164 176 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.154 176 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.154 176 G C 0.730 175.567 174.900 -0.105 0.000 1.014 176 G CA 0.155 45.167 45.100 -0.147 0.000 0.683 176 G HN 0.431 nan 8.290 nan 0.000 0.500 177 K N -0.166 120.161 120.400 -0.122 0.000 2.113 177 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 177 K C 2.273 178.850 176.600 -0.039 0.000 1.047 177 K CA 1.939 58.178 56.287 -0.079 0.000 0.928 177 K CB -0.142 32.312 32.500 -0.077 0.000 0.716 177 K HN 0.398 nan 8.250 nan 0.000 0.446 178 T N 0.009 114.546 114.554 -0.027 0.000 3.040 178 T HA 0.120 4.470 4.350 -0.000 0.000 0.252 178 T C 1.861 176.554 174.700 -0.010 0.000 1.064 178 T CA 0.573 62.684 62.100 0.019 0.000 1.110 178 T CB 0.210 69.112 68.868 0.057 0.000 0.921 178 T HN 0.222 nan 8.240 nan 0.000 0.480 179 A N 1.197 123.987 122.820 -0.050 0.000 2.019 179 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 179 A C 2.389 179.915 177.584 -0.096 0.000 1.164 179 A CA 1.038 53.016 52.037 -0.098 0.000 0.644 179 A CB -0.755 18.195 19.000 -0.083 0.000 0.805 179 A HN 0.356 nan 8.150 nan 0.000 0.449 180 V N -0.643 119.238 119.914 -0.055 0.000 2.379 180 V HA -0.094 4.026 4.120 -0.000 0.000 0.243 180 V C 3.006 179.082 176.094 -0.029 0.000 1.035 180 V CA 1.521 63.796 62.300 -0.042 0.000 1.035 180 V CB -1.050 30.755 31.823 -0.029 0.000 0.673 180 V HN 0.561 nan 8.190 nan 0.000 0.457 181 A N 0.041 122.855 122.820 -0.011 0.000 1.940 181 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 181 A C 2.159 179.760 177.584 0.029 0.000 1.176 181 A CA 2.187 54.232 52.037 0.013 0.000 0.631 181 A CB -0.572 18.450 19.000 0.037 0.000 0.814 181 A HN 0.440 nan 8.150 nan 0.000 0.446 182 L N 0.222 121.453 121.223 0.014 0.000 1.994 182 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 182 L C 1.519 178.366 176.870 -0.039 0.000 1.071 182 L CA 2.633 57.465 54.840 -0.013 0.000 0.745 182 L CB -0.751 41.270 42.059 -0.063 0.000 0.892 182 L HN 0.326 nan 8.230 nan 0.000 0.431 183 D N -1.142 119.210 120.400 -0.081 0.000 2.263 183 D HA -0.145 4.495 4.640 -0.000 0.000 0.208 183 D C 2.023 178.314 176.300 -0.016 0.000 0.971 183 D CA 1.401 55.359 54.000 -0.070 0.000 0.867 183 D CB -0.178 40.566 40.800 -0.094 0.000 0.929 183 D HN 0.412 nan 8.370 nan 0.000 0.492 184 T N 0.388 114.936 114.554 -0.010 0.000 2.770 184 T HA 0.000 4.350 4.350 -0.000 0.000 0.263 184 T C 2.156 176.866 174.700 0.017 0.000 1.039 184 T CA 0.414 62.512 62.100 -0.003 0.000 1.142 184 T CB -0.055 68.801 68.868 -0.019 0.000 0.868 184 T HN 0.169 nan 8.240 nan 0.000 0.435 185 I N 1.007 121.602 120.570 0.041 0.000 2.226 185 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 185 I C 2.200 178.415 176.117 0.163 0.000 1.100 185 I CA 1.191 62.554 61.300 0.105 0.000 1.374 185 I CB -0.483 37.588 38.000 0.118 0.000 1.057 185 I HN 0.194 nan 8.210 nan 0.000 0.413 186 L N 0.592 121.871 121.223 0.093 0.000 2.187 186 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 186 L C 2.183 179.138 176.870 0.142 0.000 1.100 186 L CA 1.273 56.168 54.840 0.091 0.000 0.765 186 L CB -0.748 41.289 42.059 -0.037 0.000 0.904 186 L HN 0.341 nan 8.230 nan 0.000 0.437 187 N N -0.427 118.345 118.700 0.120 0.000 2.409 187 N HA -0.143 4.597 4.740 -0.000 0.000 0.179 187 N C 1.691 177.347 175.510 0.242 0.000 1.032 187 N CA 0.613 53.760 53.050 0.162 0.000 0.898 187 N CB 0.127 38.697 38.487 0.138 0.000 0.971 187 N HN 0.205 nan 8.380 nan 0.000 0.441 188 Q N 0.289 120.176 119.800 0.144 0.000 2.541 188 Q HA -0.015 4.325 4.340 -0.000 0.000 0.215 188 Q C 1.227 177.248 176.000 0.035 0.000 0.977 188 Q CA 0.446 56.281 55.803 0.053 0.000 0.934 188 Q CB -0.023 28.567 28.738 -0.248 0.000 0.988 188 Q HN 0.489 nan 8.270 nan 0.000 0.521 189 K N 0.608 121.093 120.400 0.142 0.000 2.097 189 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 189 K C 2.036 178.669 176.600 0.054 0.000 1.049 189 K CA 0.956 57.328 56.287 0.142 0.000 0.933 189 K CB -0.016 32.600 32.500 0.194 0.000 0.717 189 K HN 0.191 nan 8.250 nan 0.000 0.442 190 R N -0.145 120.360 120.500 0.008 0.000 2.105 190 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 190 R C 2.098 178.202 176.300 -0.326 0.000 1.135 190 R CA 1.424 57.359 56.100 -0.276 0.000 0.967 190 R CB -0.149 29.748 30.300 -0.673 0.000 0.861 190 R HN 0.397 nan 8.270 nan 0.000 0.442 191 W N 0.439 121.668 121.300 -0.118 0.000 2.640 191 W HA 0.106 4.766 4.660 -0.000 0.000 0.268 191 W C 1.228 177.648 176.519 -0.165 0.000 1.263 191 W CA -0.108 57.154 57.345 -0.137 0.000 1.344 191 W CB -0.207 29.152 29.460 -0.168 0.000 1.093 191 W HN 0.129 nan 8.180 nan 0.000 0.603 192 N N 0.653 119.354 118.700 0.001 0.000 2.446 192 N HA -0.092 4.648 4.740 -0.000 0.000 0.179 192 N C 1.011 176.530 175.510 0.015 0.000 1.054 192 N CA 0.722 53.713 53.050 -0.098 0.000 0.905 192 N CB -0.518 37.759 38.487 -0.350 0.000 0.973 192 N HN 0.083 nan 8.380 nan 0.000 0.448 193 N N 0.239 118.950 118.700 0.018 0.000 2.467 193 N HA 0.029 4.769 4.740 -0.000 0.000 0.184 193 N C 1.003 176.518 175.510 0.009 0.000 1.106 193 N CA 0.159 53.225 53.050 0.027 0.000 0.892 193 N CB 0.180 38.673 38.487 0.010 0.000 0.969 193 N HN 0.173 nan 8.380 nan 0.000 0.454 194 G N -0.967 107.832 108.800 -0.002 0.000 2.531 194 G HA2 0.317 4.277 3.960 -0.000 0.000 0.281 194 G HA3 0.317 4.277 3.960 -0.000 0.000 0.281 194 G C 0.520 175.437 174.900 0.028 0.000 1.382 194 G CA -0.249 44.850 45.100 -0.001 0.000 1.045 194 G HN 0.129 nan 8.290 nan 0.000 0.533 195 S N -1.154 114.564 115.700 0.030 0.000 2.524 195 S HA 0.094 4.564 4.470 -0.000 0.000 0.222 195 S C 0.429 175.063 174.600 0.058 0.000 1.040 195 S CA -0.127 58.101 58.200 0.046 0.000 0.915 195 S CB 0.292 63.514 63.200 0.036 0.000 0.831 195 S HN 0.591 nan 8.310 nan 0.000 0.492 196 D N 2.932 123.365 120.400 0.055 0.000 2.357 196 D HA 0.061 4.701 4.640 -0.000 0.000 0.265 196 D C 1.051 177.401 176.300 0.084 0.000 1.334 196 D CA 0.208 54.249 54.000 0.069 0.000 0.984 196 D CB 0.339 41.183 40.800 0.072 0.000 1.077 196 D HN 0.049 nan 8.370 nan 0.000 0.514 197 E N 1.599 121.854 120.200 0.093 0.000 2.153 197 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 197 E C 1.892 178.574 176.600 0.136 0.000 0.988 197 E CA 0.870 57.339 56.400 0.114 0.000 0.811 197 E CB -0.124 29.657 29.700 0.135 0.000 0.746 197 E HN 0.624 nan 8.360 nan 0.000 0.466 198 S N 0.729 116.509 115.700 0.134 0.000 2.419 198 S HA -0.101 4.369 4.470 -0.000 0.000 0.233 198 S C 1.760 176.410 174.600 0.083 0.000 1.016 198 S CA 0.935 59.241 58.200 0.177 0.000 0.974 198 S CB -0.084 63.192 63.200 0.127 0.000 0.786 198 S HN 0.137 nan 8.310 nan 0.000 0.492 199 K N 0.684 121.121 120.400 0.061 0.000 2.379 199 K HA 0.215 4.535 4.320 -0.000 0.000 0.194 199 K C 0.228 176.777 176.600 -0.085 0.000 1.031 199 K CA 0.069 56.360 56.287 0.007 0.000 1.037 199 K CB 0.187 32.857 32.500 0.283 0.000 0.824 199 K HN 0.341 nan 8.250 nan 0.000 0.516 200 K N 1.418 121.797 120.400 -0.036 0.000 2.326 200 K HA 0.115 4.435 4.320 -0.000 0.000 0.275 200 K C -0.677 175.743 176.600 -0.299 0.000 1.018 200 K CA -0.144 56.028 56.287 -0.192 0.000 0.962 200 K CB 0.656 32.999 32.500 -0.262 0.000 0.953 200 K HN -0.126 nan 8.250 nan 0.000 0.475 201 L N 4.388 125.341 121.223 -0.449 0.000 2.427 201 L HA 0.280 4.620 4.340 -0.000 0.000 0.264 201 L C -1.527 175.085 176.870 -0.429 0.000 0.989 201 L CA -0.435 54.183 54.840 -0.371 0.000 0.865 201 L CB 0.495 42.347 42.059 -0.346 0.000 1.209 201 L HN 0.427 nan 8.230 nan 0.000 0.430 202 Y N 2.723 122.904 120.300 -0.198 0.000 2.336 202 Y HA 0.411 4.961 4.550 -0.000 0.000 0.331 202 Y C 0.592 176.369 175.900 -0.205 0.000 1.211 202 Y CA -0.092 57.870 58.100 -0.230 0.000 1.346 202 Y CB 0.741 38.891 38.460 -0.517 0.000 1.271 202 Y HN 0.484 nan 8.280 nan 0.000 0.538 203 C N 2.217 121.578 119.300 0.101 0.000 2.417 203 C HA 0.654 5.114 4.460 -0.000 0.000 0.324 203 C C -0.341 174.654 174.990 0.008 0.000 1.240 203 C CA -1.174 57.870 59.018 0.044 0.000 1.632 203 C CB 0.723 28.542 27.740 0.130 0.000 2.241 203 C HN 0.550 nan 8.230 nan 0.000 0.499 204 V N 3.541 123.426 119.914 -0.048 0.000 2.289 204 V HA 0.196 4.316 4.120 -0.000 0.000 0.272 204 V C -0.633 175.420 176.094 -0.068 0.000 1.026 204 V CA -0.429 61.839 62.300 -0.054 0.000 0.807 204 V CB 0.097 31.860 31.823 -0.100 0.000 1.044 204 V HN 0.817 nan 8.190 nan 0.000 0.443 205 Y N 4.789 125.027 120.300 -0.104 0.000 2.309 205 Y HA 0.573 5.123 4.550 -0.000 0.000 0.327 205 Y C -0.103 175.734 175.900 -0.105 0.000 1.172 205 Y CA -0.148 57.888 58.100 -0.107 0.000 1.280 205 Y CB 1.407 39.828 38.460 -0.064 0.000 1.234 205 Y HN 0.367 nan 8.280 nan 0.000 0.512 206 V N 5.433 125.015 119.914 -0.553 0.000 2.444 206 V HA 0.641 4.761 4.120 -0.000 0.000 0.294 206 V C -0.522 175.385 176.094 -0.313 0.000 1.022 206 V CA -0.857 61.274 62.300 -0.281 0.000 0.850 206 V CB 1.194 32.867 31.823 -0.249 0.000 0.992 206 V HN 0.925 nan 8.190 nan 0.000 0.426 207 A N 5.131 127.994 122.820 0.071 0.000 2.412 207 A HA 0.758 5.078 4.320 -0.000 0.000 0.334 207 A C -0.514 177.120 177.584 0.083 0.000 1.419 207 A CA -0.403 51.739 52.037 0.175 0.000 0.930 207 A CB 0.450 19.644 19.000 0.324 0.000 1.149 207 A HN 0.690 nan 8.150 nan 0.000 0.515 208 V N 1.778 121.716 119.914 0.040 0.000 2.435 208 V HA 0.659 4.779 4.120 -0.000 0.000 0.290 208 V C 1.368 177.496 176.094 0.057 0.000 1.030 208 V CA 0.506 62.834 62.300 0.047 0.000 0.881 208 V CB 0.811 32.652 31.823 0.030 0.000 0.983 208 V HN 1.652 nan 8.190 nan 0.000 0.445 209 G N 3.640 112.479 108.800 0.065 0.000 2.189 209 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.267 209 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.267 209 G C 0.248 175.184 174.900 0.060 0.000 0.975 209 G CA 0.611 45.749 45.100 0.063 0.000 0.644 209 G HN 0.697 nan 8.290 nan 0.000 0.537 210 Q N 0.324 120.164 119.800 0.066 0.000 2.318 210 Q HA 0.503 4.843 4.340 -0.000 0.000 0.222 210 Q C 0.635 176.670 176.000 0.058 0.000 1.003 210 Q CA -0.108 55.735 55.803 0.066 0.000 0.936 210 Q CB 0.589 29.380 28.738 0.089 0.000 1.204 210 Q HN 0.624 nan 8.270 nan 0.000 0.524 211 K N 0.088 120.518 120.400 0.050 0.000 2.118 211 K HA 0.303 4.623 4.320 -0.000 0.000 0.267 211 K C 0.164 176.787 176.600 0.038 0.000 0.991 211 K CA -0.619 55.692 56.287 0.041 0.000 0.916 211 K CB 1.148 33.669 32.500 0.035 0.000 1.041 211 K HN 0.418 nan 8.250 nan 0.000 0.455 212 R N 0.812 121.332 120.500 0.032 0.000 2.285 212 R HA -0.061 4.279 4.340 -0.000 0.000 0.213 212 R C 1.486 177.797 176.300 0.018 0.000 1.068 212 R CA 0.900 57.015 56.100 0.026 0.000 1.004 212 R CB -0.110 30.204 30.300 0.023 0.000 0.873 212 R HN 0.651 nan 8.270 nan 0.000 0.467 213 S N -0.373 115.339 115.700 0.020 0.000 2.371 213 S HA -0.068 4.402 4.470 -0.000 0.000 0.224 213 S C 1.761 176.370 174.600 0.015 0.000 1.029 213 S CA 1.413 59.623 58.200 0.017 0.000 0.978 213 S CB 0.092 63.303 63.200 0.020 0.000 0.833 213 S HN 0.345 nan 8.310 nan 0.000 0.466 214 T N 1.884 116.450 114.554 0.020 0.000 2.894 214 T HA 0.053 4.403 4.350 -0.000 0.000 0.258 214 T C 2.000 176.698 174.700 -0.003 0.000 1.043 214 T CA 0.714 62.824 62.100 0.017 0.000 1.141 214 T CB -0.343 68.543 68.868 0.030 0.000 0.873 214 T HN 0.144 nan 8.240 nan 0.000 0.449 215 V N 2.170 122.087 119.914 0.004 0.000 2.255 215 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 215 V C 2.965 179.034 176.094 -0.042 0.000 1.051 215 V CA 1.976 64.265 62.300 -0.019 0.000 1.018 215 V CB -1.255 30.579 31.823 0.018 0.000 0.641 215 V HN 0.539 nan 8.190 nan 0.000 0.445 216 A N -0.728 122.081 122.820 -0.019 0.000 1.972 216 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 216 A C 2.156 179.724 177.584 -0.026 0.000 1.169 216 A CA 2.047 54.071 52.037 -0.022 0.000 0.635 216 A CB -0.548 18.446 19.000 -0.009 0.000 0.810 216 A HN 0.560 nan 8.150 nan 0.000 0.446 217 Q N -0.934 118.856 119.800 -0.017 0.000 2.224 217 Q HA -0.064 4.276 4.340 -0.000 0.000 0.203 217 Q C 1.713 177.702 176.000 -0.018 0.000 0.970 217 Q CA 1.317 57.114 55.803 -0.009 0.000 0.865 217 Q CB -0.332 28.410 28.738 0.008 0.000 0.922 217 Q HN 0.565 nan 8.270 nan 0.000 0.445 218 L N -1.358 119.833 121.223 -0.053 0.000 2.049 218 L HA -0.039 4.301 4.340 -0.000 0.000 0.203 218 L C 1.973 178.787 176.870 -0.093 0.000 1.074 218 L CA 1.042 55.826 54.840 -0.094 0.000 0.749 218 L CB -0.443 41.482 42.059 -0.222 0.000 0.907 218 L HN 0.072 nan 8.230 nan 0.000 0.439 219 V N -0.391 119.464 119.914 -0.100 0.000 2.469 219 V HA -0.345 3.775 4.120 -0.000 0.000 0.251 219 V C 2.445 178.509 176.094 -0.051 0.000 1.064 219 V CA 2.000 64.251 62.300 -0.082 0.000 1.066 219 V CB -0.737 31.046 31.823 -0.067 0.000 0.667 219 V HN 0.599 nan 8.190 nan 0.000 0.461 220 Q N -0.501 119.277 119.800 -0.037 0.000 2.297 220 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 220 Q C 2.045 178.037 176.000 -0.014 0.000 0.962 220 Q CA 1.615 57.402 55.803 -0.026 0.000 0.879 220 Q CB 0.077 28.801 28.738 -0.023 0.000 0.947 220 Q HN 0.725 nan 8.270 nan 0.000 0.462 221 T N 0.098 114.655 114.554 0.005 0.000 3.044 221 T HA 0.086 4.436 4.350 -0.000 0.000 0.255 221 T C 1.560 176.338 174.700 0.130 0.000 1.073 221 T CA 0.219 62.356 62.100 0.062 0.000 1.125 221 T CB 0.134 69.057 68.868 0.090 0.000 0.908 221 T HN 0.217 nan 8.240 nan 0.000 0.480 222 L N 0.770 122.014 121.223 0.034 0.000 2.376 222 L HA 0.102 4.442 4.340 -0.000 0.000 0.219 222 L C 2.571 179.441 176.870 -0.000 0.000 1.133 222 L CA 0.882 55.724 54.840 0.004 0.000 0.816 222 L CB -0.297 41.713 42.059 -0.082 0.000 0.933 222 L HN 0.204 nan 8.230 nan 0.000 0.449 223 E N 0.402 120.599 120.200 -0.005 0.000 2.122 223 E HA -0.161 4.189 4.350 -0.000 0.000 0.190 223 E C 2.135 178.719 176.600 -0.026 0.000 0.977 223 E CA 0.866 57.250 56.400 -0.025 0.000 0.820 223 E CB 0.141 29.820 29.700 -0.034 0.000 0.770 223 E HN 0.380 nan 8.360 nan 0.000 0.462 224 Q N -1.078 118.705 119.800 -0.030 0.000 2.369 224 Q HA -0.097 4.243 4.340 -0.000 0.000 0.206 224 Q C 0.846 176.699 176.000 -0.245 0.000 0.963 224 Q CA 1.061 56.780 55.803 -0.139 0.000 0.894 224 Q CB 0.071 28.691 28.738 -0.197 0.000 0.965 224 Q HN 0.450 nan 8.270 nan 0.000 0.475 225 H N -1.144 117.904 119.070 -0.037 0.000 2.652 225 H HA 0.067 4.623 4.556 -0.000 0.000 0.274 225 H C -0.340 174.986 175.328 -0.003 0.000 1.021 225 H CA 0.187 56.231 56.048 -0.007 0.000 1.187 225 H CB 0.672 30.449 29.762 0.024 0.000 1.505 225 H HN 0.105 nan 8.280 nan 0.000 0.530 226 D N -0.134 120.297 120.400 0.051 0.000 2.837 226 D HA -0.210 4.430 4.640 -0.000 0.000 0.230 226 D C 0.839 177.115 176.300 -0.040 0.000 1.152 226 D CA 0.773 54.779 54.000 0.009 0.000 0.736 226 D CB -1.086 39.734 40.800 0.033 0.000 1.084 226 D HN 0.505 nan 8.370 nan 0.000 0.429 227 A N -0.648 122.106 122.820 -0.110 0.000 2.348 227 A HA 0.202 4.522 4.320 -0.000 0.000 0.224 227 A C 1.823 178.994 177.584 -0.688 0.000 1.227 227 A CA 0.240 52.017 52.037 -0.433 0.000 0.885 227 A CB 0.038 18.972 19.000 -0.110 0.000 0.933 227 A HN 0.345 nan 8.150 nan 0.000 0.506 228 M N 0.673 120.070 119.600 -0.339 0.000 2.595 228 M HA -0.020 4.460 4.480 -0.000 0.000 0.248 228 M C 1.716 177.876 176.300 -0.233 0.000 1.119 228 M CA 1.116 56.267 55.300 -0.249 0.000 1.079 228 M CB -0.517 32.006 32.600 -0.129 0.000 1.472 228 M HN 0.658 nan 8.290 nan 0.000 0.501 229 K N -0.194 120.040 120.400 -0.276 0.000 2.228 229 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 229 K C 1.033 177.641 176.600 0.014 0.000 1.051 229 K CA 1.366 57.595 56.287 -0.097 0.000 0.960 229 K CB -0.512 31.983 32.500 -0.008 0.000 0.743 229 K HN 0.437 nan 8.250 nan 0.000 0.458 230 Y N 0.643 121.019 120.300 0.127 0.000 2.481 230 Y HA 0.370 4.920 4.550 -0.000 0.000 0.247 230 Y C 0.197 176.197 175.900 0.167 0.000 1.151 230 Y CA -1.121 57.114 58.100 0.225 0.000 1.238 230 Y CB -0.184 38.435 38.460 0.264 0.000 1.179 230 Y HN 0.035 nan 8.280 nan 0.000 0.524 231 S N 0.633 116.366 115.700 0.054 0.000 2.651 231 S HA 0.729 5.199 4.470 -0.000 0.000 0.291 231 S C -0.865 173.753 174.600 0.030 0.000 1.141 231 S CA -0.626 57.617 58.200 0.071 0.000 1.027 231 S CB 1.956 65.151 63.200 -0.008 0.000 1.043 231 S HN 0.133 nan 8.310 nan 0.000 0.530 232 I N 1.423 122.013 120.570 0.034 0.000 2.448 232 I HA 0.362 4.532 4.170 -0.000 0.000 0.281 232 I C -1.268 174.874 176.117 0.041 0.000 1.027 232 I CA -0.352 60.964 61.300 0.026 0.000 1.111 232 I CB 1.276 39.294 38.000 0.031 0.000 1.236 232 I HN 0.526 nan 8.210 nan 0.000 0.452 233 I N 7.279 127.870 120.570 0.035 0.000 2.301 233 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 233 I C -0.140 176.014 176.117 0.061 0.000 1.046 233 I CA -0.238 61.104 61.300 0.071 0.000 1.282 233 I CB 0.980 38.990 38.000 0.017 0.000 1.409 233 I HN 0.160 nan 8.210 nan 0.000 0.484 234 V N 6.327 126.287 119.914 0.077 0.000 2.398 234 V HA 0.817 4.937 4.120 -0.000 0.000 0.286 234 V C 0.233 176.369 176.094 0.070 0.000 1.026 234 V CA -0.557 61.772 62.300 0.049 0.000 0.868 234 V CB 1.303 33.139 31.823 0.022 0.000 0.982 234 V HN 0.794 nan 8.190 nan 0.000 0.443 235 A N 4.051 126.906 122.820 0.059 0.000 2.355 235 A HA 0.914 5.234 4.320 -0.000 0.000 0.317 235 A C -0.079 177.540 177.584 0.058 0.000 1.094 235 A CA -0.299 51.780 52.037 0.071 0.000 0.764 235 A CB 1.790 20.832 19.000 0.070 0.000 1.230 235 A HN 1.367 nan 8.150 nan 0.000 0.448 236 A N 2.449 125.309 122.820 0.067 0.000 3.159 236 A HA 0.575 4.895 4.320 -0.000 0.000 0.330 236 A C 0.548 178.176 177.584 0.074 0.000 1.032 236 A CA 0.215 52.296 52.037 0.073 0.000 0.841 236 A CB -0.758 18.294 19.000 0.086 0.000 1.093 236 A HN 1.504 nan 8.150 nan 0.000 0.478 237 T N -1.597 112.998 114.554 0.067 0.000 2.589 237 T HA 0.358 4.708 4.350 -0.000 0.000 0.342 237 T C 1.636 176.373 174.700 0.062 0.000 1.044 237 T CA 0.270 62.408 62.100 0.063 0.000 1.020 237 T CB 0.414 69.314 68.868 0.053 0.000 1.070 237 T HN 1.117 nan 8.240 nan 0.000 0.524 238 A N 0.103 122.956 122.820 0.055 0.000 1.933 238 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 238 A C 2.742 180.355 177.584 0.049 0.000 1.175 238 A CA 2.155 54.222 52.037 0.051 0.000 0.628 238 A CB -1.469 17.558 19.000 0.045 0.000 0.814 238 A HN 0.898 nan 8.150 nan 0.000 0.444 239 S N -0.247 115.481 115.700 0.046 0.000 2.368 239 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 239 S C 0.875 175.506 174.600 0.052 0.000 1.029 239 S CA 0.647 58.873 58.200 0.043 0.000 0.988 239 S CB -0.441 62.782 63.200 0.038 0.000 0.838 239 S HN 0.673 nan 8.310 nan 0.000 0.462 240 E N 1.246 121.483 120.200 0.062 0.000 2.436 240 E HA 0.313 4.663 4.350 -0.000 0.000 0.262 240 E C 0.396 177.050 176.600 0.089 0.000 1.063 240 E CA -0.044 56.404 56.400 0.080 0.000 0.944 240 E CB 0.351 30.105 29.700 0.090 0.000 0.950 240 E HN 0.514 nan 8.360 nan 0.000 0.444 241 A N 1.633 124.518 122.820 0.109 0.000 2.387 241 A HA 0.271 4.591 4.320 -0.000 0.000 0.251 241 A C 1.250 178.895 177.584 0.101 0.000 1.113 241 A CA 0.551 52.644 52.037 0.093 0.000 0.794 241 A CB 0.095 19.153 19.000 0.096 0.000 1.069 241 A HN 0.766 nan 8.150 nan 0.000 0.506 242 A N 0.043 122.901 122.820 0.064 0.000 1.858 242 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 242 A C -0.152 177.507 177.584 0.125 0.000 1.190 242 A CA 1.977 54.057 52.037 0.072 0.000 0.617 242 A CB -1.846 17.165 19.000 0.019 0.000 0.827 242 A HN 0.593 nan 8.150 nan 0.000 0.443 243 P HA -0.139 nan 4.420 nan 0.000 0.218 243 P C 1.440 178.946 177.300 0.342 0.000 1.148 243 P CA 0.853 64.036 63.100 0.137 0.000 0.822 243 P CB -0.162 31.413 31.700 -0.209 0.000 0.784 244 L N -0.888 120.547 121.223 0.354 0.000 2.042 244 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 244 L C 2.562 179.572 176.870 0.233 0.000 1.076 244 L CA 1.650 56.701 54.840 0.350 0.000 0.749 244 L CB -0.887 41.343 42.059 0.285 0.000 0.893 244 L HN 0.042 nan 8.230 nan 0.000 0.432 245 Q N -1.437 118.487 119.800 0.205 0.000 2.230 245 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 245 Q C 1.988 178.103 176.000 0.192 0.000 0.963 245 Q CA 1.371 57.272 55.803 0.163 0.000 0.866 245 Q CB -0.145 28.677 28.738 0.140 0.000 0.931 245 Q HN 0.534 nan 8.270 nan 0.000 0.452 246 Y N 0.460 120.841 120.300 0.135 0.000 2.373 246 Y HA -0.047 4.503 4.550 -0.000 0.000 0.293 246 Y C 1.422 177.440 175.900 0.197 0.000 1.129 246 Y CA 0.955 59.144 58.100 0.147 0.000 1.226 246 Y CB 0.171 38.724 38.460 0.155 0.000 1.000 246 Y HN -0.025 nan 8.280 nan 0.000 0.549 247 L N -0.568 120.686 121.223 0.051 0.000 2.513 247 L HA 0.197 4.537 4.340 -0.000 0.000 0.222 247 L C 2.584 179.494 176.870 0.067 0.000 1.096 247 L CA 0.521 55.360 54.840 -0.002 0.000 0.857 247 L CB -0.497 41.657 42.059 0.159 0.000 1.026 247 L HN 0.258 nan 8.230 nan 0.000 0.469 248 A N 1.538 124.400 122.820 0.070 0.000 1.873 248 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 248 A C -0.200 177.395 177.584 0.018 0.000 1.193 248 A CA 1.840 53.905 52.037 0.048 0.000 0.629 248 A CB -1.751 17.279 19.000 0.050 0.000 0.826 248 A HN 0.244 nan 8.150 nan 0.000 0.447 249 P HA -0.073 nan 4.420 nan 0.000 0.217 249 P C 1.010 178.226 177.300 -0.140 0.000 1.150 249 P CA 0.929 63.984 63.100 -0.074 0.000 0.832 249 P CB -0.162 31.337 31.700 -0.335 0.000 0.787 250 F N -0.886 118.984 119.950 -0.133 0.000 2.206 250 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 250 F C 2.361 178.124 175.800 -0.062 0.000 1.090 250 F CA 1.378 59.296 58.000 -0.137 0.000 1.323 250 F CB -1.504 37.346 39.000 -0.250 0.000 1.028 250 F HN -0.126 nan 8.300 nan 0.000 0.492 251 T N -0.309 114.317 114.554 0.120 0.000 2.701 251 T HA -0.108 4.242 4.350 -0.000 0.000 0.263 251 T C 2.190 176.922 174.700 0.052 0.000 1.040 251 T CA 1.308 63.451 62.100 0.072 0.000 1.147 251 T CB -0.573 68.323 68.868 0.046 0.000 0.865 251 T HN 0.242 nan 8.240 nan 0.000 0.426 252 A N 0.841 123.681 122.820 0.034 0.000 2.248 252 A HA 0.337 4.657 4.320 -0.000 0.000 0.210 252 A C 2.329 179.921 177.584 0.013 0.000 1.174 252 A CA 1.340 53.383 52.037 0.010 0.000 0.750 252 A CB -0.649 18.332 19.000 -0.031 0.000 0.780 252 A HN 0.487 nan 8.150 nan 0.000 0.478 253 A N -0.782 122.068 122.820 0.050 0.000 1.975 253 A HA 0.083 4.403 4.320 -0.000 0.000 0.215 253 A C 2.338 179.973 177.584 0.085 0.000 1.170 253 A CA 1.544 53.622 52.037 0.069 0.000 0.656 253 A CB -0.433 18.606 19.000 0.065 0.000 0.821 253 A HN 0.421 nan 8.150 nan 0.000 0.449 254 S N 0.234 115.989 115.700 0.091 0.000 2.395 254 S HA -0.040 4.430 4.470 -0.000 0.000 0.225 254 S C 1.790 176.482 174.600 0.153 0.000 1.027 254 S CA 0.980 59.247 58.200 0.111 0.000 0.965 254 S CB -0.294 62.961 63.200 0.091 0.000 0.812 254 S HN 0.449 nan 8.310 nan 0.000 0.482 255 I N 2.176 122.822 120.570 0.127 0.000 2.069 255 I HA -0.167 4.003 4.170 -0.000 0.000 0.237 255 I C 2.723 179.041 176.117 0.334 0.000 1.053 255 I CA 1.902 63.300 61.300 0.163 0.000 1.311 255 I CB -2.038 36.023 38.000 0.101 0.000 1.030 255 I HN 0.374 nan 8.210 nan 0.000 0.398 256 G N -0.166 108.784 108.800 0.249 0.000 2.471 256 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 256 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 256 G C 1.622 176.731 174.900 0.348 0.000 1.125 256 G CA 0.674 45.942 45.100 0.279 0.000 0.775 256 G HN 0.528 nan 8.290 nan 0.000 0.548 257 E N -0.723 119.628 120.200 0.252 0.000 2.208 257 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 257 E C 1.930 178.654 176.600 0.207 0.000 0.988 257 E CA 0.454 56.965 56.400 0.185 0.000 0.828 257 E CB -0.249 29.526 29.700 0.124 0.000 0.763 257 E HN 0.619 nan 8.360 nan 0.000 0.478 258 W N 0.135 121.480 121.300 0.075 0.000 2.338 258 W HA -0.226 4.434 4.660 -0.000 0.000 0.304 258 W C 1.351 177.820 176.519 -0.083 0.000 1.212 258 W CA 1.638 58.954 57.345 -0.047 0.000 1.264 258 W CB -0.332 29.035 29.460 -0.156 0.000 1.142 258 W HN 0.070 nan 8.180 nan 0.000 0.512 259 F N 0.339 120.445 119.950 0.260 0.000 2.216 259 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 259 F C 2.718 178.426 175.800 -0.154 0.000 1.085 259 F CA 2.025 60.065 58.000 0.066 0.000 1.326 259 F CB -1.030 38.097 39.000 0.213 0.000 1.027 259 F HN -0.147 nan 8.300 nan 0.000 0.497 260 R N 0.567 121.116 120.500 0.080 0.000 2.066 260 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 260 R C 1.527 177.749 176.300 -0.129 0.000 1.131 260 R CA 1.849 57.936 56.100 -0.021 0.000 0.955 260 R CB -0.326 29.988 30.300 0.023 0.000 0.851 260 R HN 0.163 nan 8.270 nan 0.000 0.432 261 D N 0.110 120.397 120.400 -0.188 0.000 2.269 261 D HA -0.073 4.567 4.640 -0.000 0.000 0.208 261 D C 0.566 176.680 176.300 -0.310 0.000 0.963 261 D CA 0.801 54.669 54.000 -0.219 0.000 0.864 261 D CB -0.179 40.495 40.800 -0.210 0.000 0.936 261 D HN 0.180 nan 8.370 nan 0.000 0.505 262 N N -0.224 118.192 118.700 -0.473 0.000 2.313 262 N HA 0.212 4.952 4.740 -0.000 0.000 0.207 262 N C 0.872 176.194 175.510 -0.313 0.000 1.141 262 N CA 0.380 53.124 53.050 -0.510 0.000 0.830 262 N CB 0.764 38.667 38.487 -0.974 0.000 1.008 262 N HN 0.131 nan 8.380 nan 0.000 0.481 263 G N 0.057 108.711 108.800 -0.243 0.000 2.160 263 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 263 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 263 G C 0.095 174.848 174.900 -0.247 0.000 1.022 263 G CA 0.174 45.154 45.100 -0.199 0.000 0.741 263 G HN 0.345 nan 8.290 nan 0.000 0.508 264 K N -0.715 119.533 120.400 -0.252 0.000 2.312 264 K HA 0.722 5.042 4.320 -0.000 0.000 0.236 264 K C -0.542 175.811 176.600 -0.411 0.000 1.079 264 K CA -1.046 55.122 56.287 -0.199 0.000 0.900 264 K CB 1.216 33.867 32.500 0.251 0.000 1.297 264 K HN 0.296 nan 8.250 nan 0.000 0.498 265 H N -0.378 118.783 119.070 0.151 0.000 2.609 265 H HA 0.490 5.046 4.556 -0.000 0.000 0.344 265 H C -0.923 174.414 175.328 0.015 0.000 1.040 265 H CA -0.677 55.395 56.048 0.039 0.000 1.216 265 H CB 1.905 31.628 29.762 -0.064 0.000 1.529 265 H HN 0.717 nan 8.280 nan 0.000 0.519 266 A N 2.625 125.494 122.820 0.081 0.000 2.347 266 A HA 0.709 5.029 4.320 -0.000 0.000 0.301 266 A C -1.092 176.456 177.584 -0.059 0.000 1.163 266 A CA -0.732 51.278 52.037 -0.045 0.000 0.860 266 A CB 1.638 20.585 19.000 -0.088 0.000 1.367 266 A HN 0.455 nan 8.150 nan 0.000 0.461 267 L N 0.582 121.748 121.223 -0.095 0.000 2.620 267 L HA 0.539 4.879 4.340 -0.000 0.000 0.261 267 L C -1.378 175.412 176.870 -0.135 0.000 0.978 267 L CA -0.010 54.769 54.840 -0.102 0.000 0.897 267 L CB 1.083 43.083 42.059 -0.099 0.000 1.207 267 L HN 0.692 nan 8.230 nan 0.000 0.425 268 I N 5.034 125.485 120.570 -0.197 0.000 2.331 268 I HA 0.543 4.713 4.170 -0.000 0.000 0.292 268 I C -0.964 174.865 176.117 -0.480 0.000 0.998 268 I CA -0.646 60.438 61.300 -0.359 0.000 1.267 268 I CB 1.419 39.125 38.000 -0.490 0.000 1.386 268 I HN 0.408 nan 8.210 nan 0.000 0.476 269 V N 8.638 128.272 119.914 -0.466 0.000 2.294 269 V HA 0.208 4.328 4.120 -0.000 0.000 0.272 269 V C -0.839 174.918 176.094 -0.562 0.000 1.027 269 V CA -0.442 61.603 62.300 -0.424 0.000 0.823 269 V CB 0.351 32.001 31.823 -0.289 0.000 1.030 269 V HN 0.496 nan 8.190 nan 0.000 0.457 270 Y N 2.826 122.971 120.300 -0.258 0.000 2.624 270 Y HA 0.328 4.878 4.550 -0.000 0.000 0.354 270 Y C 0.622 176.371 175.900 -0.252 0.000 1.051 270 Y CA -0.239 57.701 58.100 -0.267 0.000 1.377 270 Y CB 0.183 38.499 38.460 -0.240 0.000 1.168 270 Y HN 0.512 nan 8.280 nan 0.000 0.525 271 D N 3.885 124.158 120.400 -0.212 0.000 2.440 271 D HA 0.190 4.830 4.640 -0.000 0.000 0.252 271 D C -1.535 174.719 176.300 -0.076 0.000 1.180 271 D CA -0.609 53.294 54.000 -0.161 0.000 0.894 271 D CB 0.555 41.197 40.800 -0.264 0.000 1.111 271 D HN 0.670 nan 8.370 nan 0.000 0.544 272 D N 1.341 121.733 120.400 -0.013 0.000 2.671 272 D HA 0.230 4.870 4.640 -0.000 0.000 0.232 272 D C 1.315 177.629 176.300 0.023 0.000 1.114 272 D CA -0.754 53.249 54.000 0.004 0.000 0.858 272 D CB 1.431 42.243 40.800 0.021 0.000 1.544 272 D HN 0.090 nan 8.370 nan 0.000 0.471 273 L N 0.692 121.928 121.223 0.022 0.000 2.127 273 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 273 L C 1.986 178.974 176.870 0.197 0.000 1.089 273 L CA 1.180 56.029 54.840 0.015 0.000 0.757 273 L CB -0.529 41.534 42.059 0.007 0.000 0.899 273 L HN 0.479 nan 8.230 nan 0.000 0.434 274 S N 0.230 116.035 115.700 0.175 0.000 2.359 274 S HA -0.244 4.226 4.470 -0.000 0.000 0.223 274 S C 1.885 176.590 174.600 0.176 0.000 1.039 274 S CA 1.624 59.936 58.200 0.187 0.000 1.042 274 S CB -0.209 63.070 63.200 0.131 0.000 0.915 274 S HN 0.419 nan 8.310 nan 0.000 0.439 275 K N 1.011 121.483 120.400 0.121 0.000 2.283 275 K HA -0.057 4.263 4.320 -0.000 0.000 0.202 275 K C 2.369 179.033 176.600 0.107 0.000 1.048 275 K CA 0.703 57.050 56.287 0.101 0.000 0.948 275 K CB -0.096 32.450 32.500 0.076 0.000 0.742 275 K HN 0.398 nan 8.250 nan 0.000 0.458 276 Q N 0.784 120.650 119.800 0.111 0.000 2.119 276 Q HA -0.123 4.217 4.340 -0.000 0.000 0.201 276 Q C 2.022 178.148 176.000 0.211 0.000 0.972 276 Q CA 1.314 57.187 55.803 0.117 0.000 0.847 276 Q CB -0.022 28.713 28.738 -0.006 0.000 0.903 276 Q HN 0.329 nan 8.270 nan 0.000 0.433 277 A N 0.228 123.212 122.820 0.273 0.000 1.873 277 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 277 A C 2.229 179.835 177.584 0.038 0.000 1.186 277 A CA 1.520 53.745 52.037 0.313 0.000 0.616 277 A CB -0.825 18.429 19.000 0.422 0.000 0.823 277 A HN 0.283 nan 8.150 nan 0.000 0.442 278 V N 0.091 119.992 119.914 -0.022 0.000 2.324 278 V HA -0.311 3.809 4.120 -0.000 0.000 0.250 278 V C 3.026 179.078 176.094 -0.070 0.000 1.060 278 V CA 2.127 64.343 62.300 -0.140 0.000 1.042 278 V CB -1.406 30.409 31.823 -0.014 0.000 0.650 278 V HN 0.627 nan 8.190 nan 0.000 0.450 279 A N -0.910 121.938 122.820 0.046 0.000 1.873 279 A HA -0.255 4.065 4.320 -0.000 0.000 0.215 279 A C 2.193 179.836 177.584 0.098 0.000 1.186 279 A CA 1.953 54.037 52.037 0.079 0.000 0.616 279 A CB -0.816 18.269 19.000 0.143 0.000 0.823 279 A HN 0.589 nan 8.150 nan 0.000 0.442 280 Y N 0.719 121.035 120.300 0.027 0.000 2.207 280 Y HA -0.234 4.316 4.550 -0.000 0.000 0.287 280 Y C 2.480 178.325 175.900 -0.092 0.000 1.156 280 Y CA 1.980 60.072 58.100 -0.013 0.000 1.182 280 Y CB -0.462 38.085 38.460 0.144 0.000 0.979 280 Y HN 0.381 nan 8.280 nan 0.000 0.521 281 R N 0.195 120.579 120.500 -0.193 0.000 2.073 281 R HA -0.242 4.098 4.340 -0.000 0.000 0.234 281 R C 2.467 178.634 176.300 -0.222 0.000 1.134 281 R CA 1.895 57.811 56.100 -0.306 0.000 0.952 281 R CB -0.536 29.485 30.300 -0.466 0.000 0.850 281 R HN 0.549 nan 8.270 nan 0.000 0.433 282 Q N 0.510 120.218 119.800 -0.153 0.000 2.112 282 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 282 Q C 2.152 178.080 176.000 -0.120 0.000 0.987 282 Q CA 1.950 57.690 55.803 -0.105 0.000 0.858 282 Q CB -0.126 28.576 28.738 -0.059 0.000 0.905 282 Q HN 0.482 nan 8.270 nan 0.000 0.420 283 L N -0.236 120.899 121.223 -0.147 0.000 1.976 283 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 283 L C 2.766 179.513 176.870 -0.205 0.000 1.071 283 L CA 1.383 56.120 54.840 -0.173 0.000 0.746 283 L CB -0.685 41.248 42.059 -0.210 0.000 0.890 283 L HN 0.262 nan 8.230 nan 0.000 0.432 284 S N -0.080 115.439 115.700 -0.301 0.000 2.359 284 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 284 S C 2.008 176.509 174.600 -0.166 0.000 1.035 284 S CA 1.267 59.301 58.200 -0.276 0.000 1.018 284 S CB -0.251 62.711 63.200 -0.396 0.000 0.876 284 S HN 0.242 nan 8.310 nan 0.000 0.448 285 L N 0.915 122.051 121.223 -0.146 0.000 1.970 285 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 285 L C 2.419 179.244 176.870 -0.075 0.000 1.071 285 L CA 1.459 56.243 54.840 -0.092 0.000 0.751 285 L CB -0.644 41.368 42.059 -0.078 0.000 0.889 285 L HN 0.358 nan 8.230 nan 0.000 0.432 286 L N -0.649 120.526 121.223 -0.079 0.000 2.191 286 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 286 L C 2.211 179.045 176.870 -0.060 0.000 1.103 286 L CA 0.815 55.617 54.840 -0.063 0.000 0.769 286 L CB -0.328 41.693 42.059 -0.063 0.000 0.908 286 L HN 0.307 nan 8.230 nan 0.000 0.438 287 L N -0.302 120.876 121.223 -0.074 0.000 2.599 287 L HA 0.060 4.400 4.340 -0.000 0.000 0.230 287 L C 0.511 177.351 176.870 -0.050 0.000 1.141 287 L CA -0.060 54.742 54.840 -0.064 0.000 0.877 287 L CB -0.027 41.984 42.059 -0.081 0.000 1.009 287 L HN 0.260 nan 8.230 nan 0.000 0.447 288 R N 0.816 121.287 120.500 -0.049 0.000 3.423 288 R HA -0.144 4.196 4.340 -0.000 0.000 0.271 288 R C -0.386 175.892 176.300 -0.037 0.000 1.093 288 R CA 0.561 56.639 56.100 -0.037 0.000 0.730 288 R CB -2.033 28.252 30.300 -0.026 0.000 1.190 288 R HN 0.383 nan 8.270 nan 0.000 0.437 289 R N 0.969 121.438 120.500 -0.052 0.000 2.229 289 R HA 0.290 4.630 4.340 -0.000 0.000 0.328 289 R C -2.059 174.216 176.300 -0.041 0.000 1.009 289 R CA -1.865 54.205 56.100 -0.049 0.000 0.864 289 R CB 0.955 31.210 30.300 -0.074 0.000 1.085 289 R HN -0.159 nan 8.270 nan 0.000 0.453 290 P HA -0.062 nan 4.420 nan 0.000 0.259 290 P C -2.303 174.990 177.300 -0.012 0.000 1.163 290 P CA -0.417 62.674 63.100 -0.015 0.000 0.760 290 P CB -0.024 31.672 31.700 -0.006 0.000 0.762 291 P HA 0.298 nan 4.420 nan 0.000 0.274 291 P C 0.437 177.742 177.300 0.008 0.000 1.237 291 P CA -0.115 62.986 63.100 0.000 0.000 0.793 291 P CB 0.904 32.603 31.700 -0.002 0.000 0.977 292 G N 0.340 109.155 108.800 0.026 0.000 3.122 292 G HA2 0.386 4.346 3.960 -0.000 0.000 0.180 292 G HA3 0.386 4.346 3.960 -0.000 0.000 0.180 292 G C -0.819 174.030 174.900 -0.085 0.000 1.279 292 G CA -0.856 44.241 45.100 -0.005 0.000 0.987 292 G HN 0.537 nan 8.290 nan 0.000 0.589 293 R N 0.354 120.711 120.500 -0.239 0.000 2.502 293 R HA 0.099 4.439 4.340 -0.000 0.000 0.292 293 R C 0.614 176.650 176.300 -0.440 0.000 0.998 293 R CA 1.246 57.079 56.100 -0.444 0.000 1.056 293 R CB -0.112 29.697 30.300 -0.818 0.000 0.939 293 R HN 0.813 nan 8.270 nan 0.000 0.411 294 E N 2.673 122.726 120.200 -0.245 0.000 3.496 294 E HA -0.350 4.000 4.350 -0.000 0.000 0.300 294 E C 0.118 176.816 176.600 0.162 0.000 0.877 294 E CA 0.898 57.227 56.400 -0.118 0.000 1.050 294 E CB -0.977 28.535 29.700 -0.313 0.000 1.532 294 E HN 0.999 nan 8.360 nan 0.000 0.447 295 A N -2.778 120.123 122.820 0.135 0.000 3.526 295 A HA -0.258 4.062 4.320 -0.000 0.000 0.254 295 A C -0.176 177.566 177.584 0.262 0.000 1.109 295 A CA 1.260 53.401 52.037 0.175 0.000 1.395 295 A CB -1.680 17.412 19.000 0.153 0.000 1.057 295 A HN 0.439 nan 8.150 nan 0.000 0.901 296 Y N 1.359 121.688 120.300 0.049 0.000 2.319 296 Y HA 0.460 5.010 4.550 0.000 0.000 0.328 296 Y C -1.618 174.341 175.900 0.100 0.000 1.133 296 Y CA -2.005 56.165 58.100 0.117 0.000 1.265 296 Y CB 0.004 38.634 38.460 0.283 0.000 1.218 296 Y HN 0.227 nan 8.280 nan 0.000 0.508 297 P HA -0.058 nan 4.420 nan 0.000 0.267 297 P C 0.857 178.294 177.300 0.228 0.000 1.201 297 P CA 0.549 63.697 63.100 0.080 0.000 0.775 297 P CB 0.786 32.402 31.700 -0.139 0.000 0.854 298 G N 2.424 111.328 108.800 0.173 0.000 2.469 298 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 298 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 298 G C 0.665 175.728 174.900 0.272 0.000 1.136 298 G CA 0.788 46.007 45.100 0.198 0.000 0.759 298 G HN 0.664 nan 8.290 nan 0.000 0.562 299 D N 0.625 121.213 120.400 0.313 0.000 2.690 299 D HA 0.102 4.742 4.640 -0.000 0.000 0.236 299 D C 1.585 178.190 176.300 0.509 0.000 1.218 299 D CA -0.398 53.845 54.000 0.405 0.000 0.829 299 D CB 0.409 41.459 40.800 0.417 0.000 1.009 299 D HN 0.140 nan 8.370 nan 0.000 0.482 300 V N -0.252 119.953 119.914 0.486 0.000 2.809 300 V HA -0.093 4.027 4.120 -0.000 0.000 0.256 300 V C 1.522 177.798 176.094 0.302 0.000 1.080 300 V CA 0.880 63.468 62.300 0.480 0.000 1.102 300 V CB -0.774 31.355 31.823 0.510 0.000 0.705 300 V HN 0.263 nan 8.190 nan 0.000 0.475 301 F N -0.365 119.672 119.950 0.146 0.000 2.293 301 F HA -0.073 4.454 4.527 -0.000 0.000 0.297 301 F C 1.985 177.894 175.800 0.181 0.000 1.089 301 F CA 1.664 59.705 58.000 0.069 0.000 1.377 301 F CB -0.300 38.723 39.000 0.038 0.000 1.051 301 F HN 0.336 nan 8.300 nan 0.000 0.511 302 Y N 0.383 120.813 120.300 0.216 0.000 2.439 302 Y HA -0.067 4.483 4.550 -0.000 0.000 0.292 302 Y C 1.883 177.825 175.900 0.071 0.000 1.130 302 Y CA 0.990 59.167 58.100 0.128 0.000 1.254 302 Y CB -0.524 38.052 38.460 0.194 0.000 1.000 302 Y HN 0.228 nan 8.280 nan 0.000 0.554 303 L N -0.062 121.207 121.223 0.076 0.000 1.973 303 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 303 L C 2.196 179.055 176.870 -0.019 0.000 1.073 303 L CA 2.126 56.974 54.840 0.013 0.000 0.746 303 L CB -1.171 40.943 42.059 0.091 0.000 0.891 303 L HN 0.281 nan 8.230 nan 0.000 0.433 304 H N -1.586 117.349 119.070 -0.225 0.000 2.563 304 H HA -0.005 4.551 4.556 -0.000 0.000 0.272 304 H C 2.101 177.194 175.328 -0.392 0.000 1.005 304 H CA 0.619 56.466 56.048 -0.335 0.000 1.171 304 H CB 0.359 29.946 29.762 -0.292 0.000 1.351 304 H HN 0.462 nan 8.280 nan 0.000 0.602 305 S N 0.673 116.202 115.700 -0.284 0.000 2.341 305 S HA -0.070 4.400 4.470 -0.000 0.000 0.216 305 S C 2.147 176.622 174.600 -0.207 0.000 1.034 305 S CA 0.310 58.329 58.200 -0.301 0.000 0.964 305 S CB 0.216 63.249 63.200 -0.279 0.000 0.882 305 S HN 0.354 nan 8.310 nan 0.000 0.469 306 R N 0.390 120.749 120.500 -0.234 0.000 2.113 306 R HA -0.140 4.200 4.340 -0.000 0.000 0.244 306 R C 2.336 178.567 176.300 -0.115 0.000 1.142 306 R CA 1.796 57.804 56.100 -0.153 0.000 0.953 306 R CB -0.780 29.408 30.300 -0.186 0.000 0.860 306 R HN 0.392 nan 8.270 nan 0.000 0.438 307 L N 0.931 121.999 121.223 -0.258 0.000 2.017 307 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 307 L C 1.960 178.603 176.870 -0.379 0.000 1.073 307 L CA 1.722 56.247 54.840 -0.525 0.000 0.745 307 L CB -0.222 41.179 42.059 -1.096 0.000 0.894 307 L HN 0.132 nan 8.230 nan 0.000 0.432 308 L N -0.916 120.098 121.223 -0.348 0.000 2.418 308 L HA -0.012 4.328 4.340 -0.000 0.000 0.218 308 L C 2.346 179.147 176.870 -0.116 0.000 1.125 308 L CA 0.173 54.873 54.840 -0.234 0.000 0.835 308 L CB -0.511 41.411 42.059 -0.228 0.000 0.953 308 L HN 0.269 nan 8.230 nan 0.000 0.454 309 E N 0.575 120.714 120.200 -0.102 0.000 2.158 309 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 309 E C 2.201 178.788 176.600 -0.022 0.000 0.982 309 E CA 0.653 57.027 56.400 -0.044 0.000 0.823 309 E CB 0.033 29.718 29.700 -0.025 0.000 0.766 309 E HN 0.443 nan 8.360 nan 0.000 0.468 310 R N 0.824 121.307 120.500 -0.027 0.000 2.159 310 R HA -0.015 4.325 4.340 -0.000 0.000 0.237 310 R C 0.978 177.286 176.300 0.012 0.000 1.131 310 R CA 0.842 56.942 56.100 0.000 0.000 0.982 310 R CB -0.169 30.134 30.300 0.006 0.000 0.868 310 R HN -0.062 nan 8.270 nan 0.000 0.453 311 A N 0.968 123.795 122.820 0.011 0.000 2.354 311 A HA 0.629 4.949 4.320 -0.000 0.000 0.281 311 A C -0.187 177.405 177.584 0.013 0.000 1.174 311 A CA 0.087 52.138 52.037 0.024 0.000 0.828 311 A CB 0.506 19.532 19.000 0.044 0.000 1.099 311 A HN 0.327 nan 8.150 nan 0.000 0.516 312 A N 2.385 125.215 122.820 0.015 0.000 2.467 312 A HA 0.720 5.040 4.320 -0.000 0.000 0.301 312 A C -0.928 176.666 177.584 0.016 0.000 1.126 312 A CA -0.621 51.423 52.037 0.012 0.000 0.632 312 A CB 0.595 19.603 19.000 0.013 0.000 1.331 312 A HN 1.000 nan 8.150 nan 0.000 0.482 313 K N 0.617 121.026 120.400 0.016 0.000 2.185 313 K HA 0.739 5.059 4.320 -0.000 0.000 0.269 313 K C -1.206 175.412 176.600 0.028 0.000 0.987 313 K CA -0.224 56.077 56.287 0.022 0.000 0.865 313 K CB 0.614 33.120 32.500 0.009 0.000 1.090 313 K HN 0.579 nan 8.250 nan 0.000 0.450 314 L N 2.555 123.796 121.223 0.030 0.000 2.387 314 L HA 0.464 4.804 4.340 -0.000 0.000 0.266 314 L C 0.396 177.287 176.870 0.035 0.000 1.059 314 L CA -0.976 53.877 54.840 0.022 0.000 0.801 314 L CB 1.639 43.698 42.059 0.001 0.000 1.223 314 L HN 0.895 nan 8.230 nan 0.000 0.456 315 S N -1.226 114.489 115.700 0.026 0.000 2.681 315 S HA 0.115 4.585 4.470 -0.000 0.000 0.270 315 S C 0.730 175.346 174.600 0.027 0.000 1.209 315 S CA -0.609 57.610 58.200 0.032 0.000 0.988 315 S CB 1.329 64.542 63.200 0.022 0.000 1.006 315 S HN 0.738 nan 8.310 nan 0.000 0.558 316 E N 0.565 120.783 120.200 0.029 0.000 2.153 316 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 316 E C 1.914 178.519 176.600 0.008 0.000 0.988 316 E CA 1.074 57.487 56.400 0.023 0.000 0.811 316 E CB -0.117 29.596 29.700 0.023 0.000 0.746 316 E HN 0.741 nan 8.360 nan 0.000 0.466 317 K N 0.399 120.802 120.400 0.005 0.000 2.097 317 K HA -0.218 4.102 4.320 -0.000 0.000 0.206 317 K C 1.944 178.538 176.600 -0.010 0.000 1.049 317 K CA 1.643 57.929 56.287 -0.002 0.000 0.933 317 K CB 0.062 32.562 32.500 -0.001 0.000 0.717 317 K HN -0.058 nan 8.250 nan 0.000 0.442 318 E N -1.228 118.965 120.200 -0.011 0.000 2.045 318 E HA 0.042 4.392 4.350 -0.000 0.000 0.190 318 E C 1.227 177.804 176.600 -0.039 0.000 0.968 318 E CA 1.645 58.031 56.400 -0.024 0.000 0.813 318 E CB 0.483 30.171 29.700 -0.020 0.000 0.780 318 E HN 0.421 nan 8.360 nan 0.000 0.455 319 G N -2.400 106.380 108.800 -0.035 0.000 4.260 319 G HA2 0.001 3.961 3.960 -0.000 0.000 0.164 319 G HA3 0.001 3.961 3.960 -0.000 0.000 0.164 319 G C 0.285 175.161 174.900 -0.040 0.000 0.955 319 G CA 0.340 45.407 45.100 -0.055 0.000 0.797 319 G HN 0.087 nan 8.290 nan 0.000 0.516 320 S N -0.921 114.776 115.700 -0.004 0.000 3.146 320 S HA -0.167 4.303 4.470 -0.000 0.000 0.285 320 S C 1.284 175.911 174.600 0.046 0.000 1.293 320 S CA 1.103 59.329 58.200 0.043 0.000 1.137 320 S CB -1.482 61.759 63.200 0.069 0.000 1.357 320 S HN 1.636 nan 8.310 nan 0.000 0.678 321 G N 1.157 109.917 108.800 -0.066 0.000 2.476 321 G HA2 0.555 4.515 3.960 -0.000 0.000 0.269 321 G HA3 0.555 4.515 3.960 -0.000 0.000 0.269 321 G C -0.143 174.751 174.900 -0.010 0.000 1.195 321 G CA 0.348 45.334 45.100 -0.190 0.000 0.843 321 G HN 0.998 nan 8.290 nan 0.000 0.545 322 S N -0.366 115.387 115.700 0.089 0.000 2.570 322 S HA 0.654 5.124 4.470 -0.000 0.000 0.286 322 S C -1.233 173.416 174.600 0.081 0.000 1.099 322 S CA -0.874 57.395 58.200 0.115 0.000 0.913 322 S CB 2.048 65.335 63.200 0.145 0.000 1.085 322 S HN 0.898 nan 8.310 nan 0.000 0.480 323 L N 2.271 123.521 121.223 0.044 0.000 2.388 323 L HA 0.574 4.914 4.340 -0.000 0.000 0.267 323 L C -0.482 176.391 176.870 0.006 0.000 0.995 323 L CA 0.136 54.993 54.840 0.029 0.000 0.864 323 L CB 1.146 43.228 42.059 0.039 0.000 1.216 323 L HN 0.910 nan 8.230 nan 0.000 0.430 324 T N 3.755 118.298 114.554 -0.019 0.000 2.889 324 T HA 0.780 5.130 4.350 -0.000 0.000 0.291 324 T C -0.087 174.591 174.700 -0.038 0.000 0.995 324 T CA -0.090 61.989 62.100 -0.035 0.000 1.092 324 T CB 1.280 70.110 68.868 -0.064 0.000 0.954 324 T HN 0.792 nan 8.240 nan 0.000 0.506 325 A N 2.841 125.655 122.820 -0.010 0.000 2.343 325 A HA 0.710 5.030 4.320 -0.000 0.000 0.308 325 A C -0.425 177.169 177.584 0.017 0.000 1.092 325 A CA -0.712 51.340 52.037 0.025 0.000 0.751 325 A CB 0.666 19.759 19.000 0.156 0.000 1.203 325 A HN 0.858 nan 8.150 nan 0.000 0.452 326 L N 4.323 125.540 121.223 -0.011 0.000 2.784 326 L HA 0.284 4.624 4.340 -0.000 0.000 0.241 326 L C -2.248 174.634 176.870 0.020 0.000 1.352 326 L CA -1.638 53.197 54.840 -0.008 0.000 0.911 326 L CB 1.131 43.164 42.059 -0.043 0.000 1.227 326 L HN 0.496 nan 8.230 nan 0.000 0.501 327 P HA 0.063 nan 4.420 nan 0.000 0.269 327 P C -0.471 176.852 177.300 0.038 0.000 1.217 327 P CA 0.077 63.245 63.100 0.114 0.000 0.783 327 P CB 1.700 33.437 31.700 0.061 0.000 0.898 328 V N 2.881 122.811 119.914 0.028 0.000 2.735 328 V HA 0.449 4.569 4.120 -0.000 0.000 0.310 328 V C 0.158 176.271 176.094 0.032 0.000 1.061 328 V CA -0.648 61.661 62.300 0.015 0.000 0.913 328 V CB 2.185 34.003 31.823 -0.009 0.000 1.005 328 V HN 0.390 nan 8.190 nan 0.000 0.428 329 I N 2.695 123.286 120.570 0.035 0.000 2.466 329 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 329 I C -0.062 176.079 176.117 0.040 0.000 1.026 329 I CA -0.345 60.985 61.300 0.050 0.000 1.078 329 I CB 2.053 40.087 38.000 0.057 0.000 1.249 329 I HN 0.791 nan 8.210 nan 0.000 0.429 330 E N 5.189 125.416 120.200 0.045 0.000 2.044 330 E HA 0.252 4.602 4.350 -0.000 0.000 0.282 330 E C -0.329 176.301 176.600 0.050 0.000 1.031 330 E CA -0.337 56.082 56.400 0.032 0.000 0.824 330 E CB 0.809 30.528 29.700 0.031 0.000 1.076 330 E HN 0.670 nan 8.360 nan 0.000 0.395 331 T N 2.150 116.734 114.554 0.051 0.000 2.889 331 T HA 0.260 4.610 4.350 -0.000 0.000 0.291 331 T C 0.015 174.753 174.700 0.064 0.000 0.995 331 T CA -1.005 61.142 62.100 0.078 0.000 1.092 331 T CB 1.531 70.483 68.868 0.140 0.000 0.954 331 T HN 0.285 nan 8.240 nan 0.000 0.506 332 Q N 1.271 121.112 119.800 0.068 0.000 2.314 332 Q HA 0.472 4.812 4.340 -0.000 0.000 0.259 332 Q C 1.274 177.314 176.000 0.067 0.000 0.951 332 Q CA 0.380 56.219 55.803 0.060 0.000 0.909 332 Q CB 1.091 29.864 28.738 0.057 0.000 1.236 332 Q HN 1.279 nan 8.270 nan 0.000 0.444 333 G N 2.063 110.903 108.800 0.067 0.000 2.189 333 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.267 333 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.267 333 G C 0.744 175.707 174.900 0.104 0.000 0.975 333 G CA 0.547 45.691 45.100 0.075 0.000 0.644 333 G HN 1.406 nan 8.290 nan 0.000 0.537 334 G N -0.700 108.180 108.800 0.132 0.000 2.137 334 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.237 334 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.237 334 G C -0.048 174.962 174.900 0.184 0.000 1.002 334 G CA 0.949 46.197 45.100 0.246 0.000 0.702 334 G HN 1.426 nan 8.290 nan 0.000 0.515 335 D N 0.674 121.138 120.400 0.107 0.000 2.374 335 D HA 0.394 5.034 4.640 -0.000 0.000 0.240 335 D C 1.485 177.810 176.300 0.041 0.000 1.229 335 D CA 0.246 54.277 54.000 0.051 0.000 0.895 335 D CB 0.854 41.678 40.800 0.040 0.000 1.046 335 D HN 0.668 nan 8.370 nan 0.000 0.498 336 V N 1.681 121.589 119.914 -0.009 0.000 3.219 336 V HA 0.251 4.371 4.120 -0.000 0.000 0.377 336 V C 0.693 176.772 176.094 -0.025 0.000 1.275 336 V CA -0.040 62.247 62.300 -0.021 0.000 1.366 336 V CB -0.260 31.500 31.823 -0.104 0.000 1.282 336 V HN 0.354 nan 8.190 nan 0.000 0.487 337 S N 0.076 115.771 115.700 -0.008 0.000 2.632 337 S HA 0.585 5.055 4.470 -0.000 0.000 0.237 337 S C 1.292 175.900 174.600 0.013 0.000 1.037 337 S CA 0.304 58.501 58.200 -0.005 0.000 1.009 337 S CB 0.710 63.905 63.200 -0.009 0.000 0.974 337 S HN 0.912 nan 8.310 nan 0.000 0.544 338 A N 0.965 123.796 122.820 0.018 0.000 2.433 338 A HA 0.287 4.607 4.320 -0.000 0.000 0.250 338 A C 0.921 178.533 177.584 0.046 0.000 1.113 338 A CA 0.158 52.212 52.037 0.029 0.000 0.794 338 A CB -0.271 18.744 19.000 0.025 0.000 1.067 338 A HN 0.342 nan 8.150 nan 0.000 0.510 339 Y N 0.191 120.421 120.300 -0.116 0.000 2.114 339 Y HA -0.196 4.354 4.550 -0.000 0.000 0.284 339 Y C 1.911 177.739 175.900 -0.121 0.000 1.143 339 Y CA 2.140 60.154 58.100 -0.143 0.000 1.135 339 Y CB -0.133 38.175 38.460 -0.253 0.000 0.980 339 Y HN 0.457 nan 8.280 nan 0.000 0.499 340 I N 0.462 120.902 120.570 -0.216 0.000 2.162 340 I HA -0.139 4.031 4.170 -0.000 0.000 0.238 340 I C -0.380 175.638 176.117 -0.165 0.000 1.076 340 I CA 1.184 62.329 61.300 -0.258 0.000 1.353 340 I CB -2.630 35.306 38.000 -0.108 0.000 1.063 340 I HN 0.120 nan 8.210 nan 0.000 0.408 341 P HA -0.131 nan 4.420 nan 0.000 0.216 341 P C 1.669 178.948 177.300 -0.034 0.000 1.153 341 P CA 1.841 64.925 63.100 -0.027 0.000 0.858 341 P CB -0.222 31.485 31.700 0.011 0.000 0.789 342 T N -1.385 113.144 114.554 -0.041 0.000 2.962 342 T HA -0.071 4.279 4.350 -0.000 0.000 0.270 342 T C 1.497 176.189 174.700 -0.015 0.000 1.088 342 T CA 1.195 63.280 62.100 -0.025 0.000 1.127 342 T CB -0.703 68.156 68.868 -0.016 0.000 0.883 342 T HN 0.124 nan 8.240 nan 0.000 0.493 343 N N 0.891 119.556 118.700 -0.058 0.000 2.148 343 N HA -0.006 4.734 4.740 -0.000 0.000 0.186 343 N C 1.960 177.475 175.510 0.008 0.000 1.031 343 N CA 0.632 53.702 53.050 0.033 0.000 0.848 343 N CB -0.794 37.653 38.487 -0.067 0.000 1.005 343 N HN 0.153 nan 8.380 nan 0.000 0.427 344 V N 1.651 121.514 119.914 -0.084 0.000 2.332 344 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 344 V C 2.139 178.223 176.094 -0.017 0.000 1.055 344 V CA 1.255 63.517 62.300 -0.064 0.000 1.038 344 V CB -0.541 31.262 31.823 -0.035 0.000 0.651 344 V HN 0.272 nan 8.190 nan 0.000 0.450 345 I N 1.256 121.827 120.570 0.000 0.000 2.335 345 I HA -0.210 3.959 4.170 -0.000 0.000 0.251 345 I C 2.300 178.433 176.117 0.027 0.000 1.129 345 I CA 1.882 63.190 61.300 0.014 0.000 1.402 345 I CB -0.404 37.602 38.000 0.010 0.000 1.069 345 I HN 0.485 nan 8.210 nan 0.000 0.424 346 S N -0.253 115.479 115.700 0.054 0.000 2.603 346 S HA 0.180 4.650 4.470 -0.000 0.000 0.220 346 S C 1.461 176.126 174.600 0.107 0.000 0.967 346 S CA 0.111 58.364 58.200 0.090 0.000 0.920 346 S CB -0.280 62.998 63.200 0.131 0.000 0.773 346 S HN 0.447 nan 8.310 nan 0.000 0.529 347 I N 1.445 122.043 120.570 0.046 0.000 3.718 347 I HA 0.061 4.231 4.170 -0.000 0.000 0.297 347 I C 1.463 177.575 176.117 -0.008 0.000 1.220 347 I CA 0.440 61.739 61.300 -0.001 0.000 1.381 347 I CB -0.347 37.585 38.000 -0.113 0.000 1.238 347 I HN 0.327 nan 8.210 nan 0.000 0.448 348 T N -1.331 113.218 114.554 -0.008 0.000 2.726 348 T HA 0.075 4.425 4.350 -0.000 0.000 0.294 348 T C 0.312 175.015 174.700 0.006 0.000 1.013 348 T CA -0.247 61.849 62.100 -0.005 0.000 0.996 348 T CB 0.730 69.598 68.868 -0.001 0.000 1.016 348 T HN 0.018 nan 8.240 nan 0.000 0.529 349 D N 0.389 120.792 120.400 0.005 0.000 2.587 349 D HA 0.443 5.083 4.640 -0.000 0.000 0.233 349 D C 0.802 177.108 176.300 0.010 0.000 1.213 349 D CA 0.213 54.218 54.000 0.009 0.000 0.827 349 D CB -0.132 40.671 40.800 0.005 0.000 1.006 349 D HN 1.002 nan 8.370 nan 0.000 0.490 350 G N 0.225 109.033 108.800 0.013 0.000 2.347 350 G HA2 0.210 4.170 3.960 -0.000 0.000 0.321 350 G HA3 0.210 4.170 3.960 -0.000 0.000 0.321 350 G C -1.694 173.219 174.900 0.023 0.000 1.412 350 G CA -0.976 44.134 45.100 0.017 0.000 0.990 350 G HN 0.004 nan 8.290 nan 0.000 0.637 351 Q N -1.177 118.642 119.800 0.032 0.000 2.456 351 Q HA 0.792 5.131 4.340 -0.000 0.000 0.283 351 Q C -0.505 175.534 176.000 0.065 0.000 1.084 351 Q CA -0.586 55.246 55.803 0.049 0.000 0.801 351 Q CB 2.755 31.526 28.738 0.056 0.000 1.434 351 Q HN 0.614 nan 8.270 nan 0.000 0.419 352 I N 1.995 122.613 120.570 0.080 0.000 2.521 352 I HA 0.297 4.467 4.170 -0.000 0.000 0.277 352 I C -1.167 175.025 176.117 0.125 0.000 1.054 352 I CA -0.619 60.732 61.300 0.086 0.000 1.117 352 I CB 0.669 38.694 38.000 0.040 0.000 1.217 352 I HN 0.490 nan 8.210 nan 0.000 0.469 353 F N 7.130 127.080 119.950 0.000 0.000 2.412 353 F HA 0.448 4.975 4.527 -0.000 0.000 0.348 353 F C -0.637 175.161 175.800 -0.004 0.000 1.102 353 F CA -0.228 57.770 58.000 -0.003 0.000 1.196 353 F CB 0.844 39.844 39.000 0.001 0.000 1.144 353 F HN 0.204 nan 8.300 nan 0.000 0.541 354 L N 5.859 126.658 121.223 -0.708 0.000 2.318 354 L HA 0.304 4.644 4.340 -0.000 0.000 0.277 354 L C -0.292 176.141 176.870 -0.728 0.000 1.008 354 L CA -0.209 54.321 54.840 -0.518 0.000 0.846 354 L CB 1.295 43.152 42.059 -0.337 0.000 1.220 354 L HN 0.535 nan 8.230 nan 0.000 0.423 355 E N 1.671 121.632 120.200 -0.399 0.000 2.290 355 E HA 0.209 4.559 4.350 -0.000 0.000 0.277 355 E C 0.652 177.144 176.600 -0.179 0.000 1.035 355 E CA 0.045 56.316 56.400 -0.215 0.000 0.873 355 E CB 1.496 31.221 29.700 0.041 0.000 1.029 355 E HN 0.735 nan 8.360 nan 0.000 0.419 356 A N 4.619 127.324 122.820 -0.191 0.000 1.933 356 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 356 A C 1.714 179.124 177.584 -0.291 0.000 1.175 356 A CA 1.096 52.960 52.037 -0.289 0.000 0.628 356 A CB -0.123 18.770 19.000 -0.177 0.000 0.814 356 A HN 0.599 nan 8.150 nan 0.000 0.444 357 E N 0.135 120.317 120.200 -0.030 0.000 2.160 357 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 357 E C 1.930 178.566 176.600 0.061 0.000 0.991 357 E CA 1.000 57.455 56.400 0.093 0.000 0.810 357 E CB -0.365 29.403 29.700 0.115 0.000 0.742 357 E HN 0.696 nan 8.360 nan 0.000 0.466 358 L N -0.433 120.802 121.223 0.020 0.000 2.240 358 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 358 L C 2.351 179.231 176.870 0.016 0.000 1.106 358 L CA 0.353 55.214 54.840 0.035 0.000 0.793 358 L CB -0.295 41.789 42.059 0.042 0.000 0.927 358 L HN 0.014 nan 8.230 nan 0.000 0.446 359 F N 0.109 119.923 119.950 -0.226 0.000 2.113 359 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 359 F C 2.322 178.031 175.800 -0.152 0.000 1.103 359 F CA 1.586 59.433 58.000 -0.254 0.000 1.248 359 F CB -0.248 38.497 39.000 -0.425 0.000 0.999 359 F HN -0.035 nan 8.300 nan 0.000 0.475 360 Y N 0.296 120.669 120.300 0.122 0.000 2.200 360 Y HA -0.144 4.406 4.550 -0.000 0.000 0.290 360 Y C 2.477 178.363 175.900 -0.023 0.000 1.137 360 Y CA 1.325 59.447 58.100 0.036 0.000 1.163 360 Y CB -1.286 37.224 38.460 0.082 0.000 0.988 360 Y HN 0.021 nan 8.280 nan 0.000 0.518 361 K N -0.581 119.902 120.400 0.138 0.000 2.211 361 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 361 K C 1.370 177.981 176.600 0.018 0.000 1.047 361 K CA 1.376 57.709 56.287 0.078 0.000 0.935 361 K CB -0.313 32.232 32.500 0.075 0.000 0.728 361 K HN 0.537 nan 8.250 nan 0.000 0.452 362 G N -0.278 108.496 108.800 -0.044 0.000 2.421 362 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.188 362 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.188 362 G C -0.230 174.606 174.900 -0.106 0.000 1.001 362 G CA -0.164 44.882 45.100 -0.090 0.000 0.693 362 G HN 0.104 nan 8.290 nan 0.000 0.479 363 I N 2.440 122.970 120.570 -0.067 0.000 2.494 363 I HA 0.441 4.611 4.170 -0.000 0.000 0.289 363 I C 0.708 176.788 176.117 -0.062 0.000 1.106 363 I CA 0.510 61.787 61.300 -0.039 0.000 1.369 363 I CB 0.534 38.539 38.000 0.009 0.000 1.410 363 I HN 0.110 nan 8.210 nan 0.000 0.523 364 R N 7.646 128.112 120.500 -0.057 0.000 2.502 364 R HA 0.467 4.807 4.340 -0.000 0.000 0.300 364 R C -2.609 173.693 176.300 0.003 0.000 0.984 364 R CA -1.608 54.471 56.100 -0.035 0.000 0.882 364 R CB 1.806 32.043 30.300 -0.105 0.000 1.180 364 R HN 0.308 nan 8.270 nan 0.000 0.444 365 P HA 0.121 nan 4.420 nan 0.000 0.278 365 P C -0.778 176.558 177.300 0.059 0.000 1.238 365 P CA -0.512 62.625 63.100 0.061 0.000 0.794 365 P CB 1.195 32.917 31.700 0.037 0.000 0.955 366 A N 4.491 127.374 122.820 0.105 0.000 2.444 366 A HA 0.361 4.681 4.320 -0.000 0.000 0.287 366 A C 0.250 177.840 177.584 0.011 0.000 1.195 366 A CA -0.118 51.957 52.037 0.064 0.000 0.858 366 A CB -1.159 17.900 19.000 0.098 0.000 1.117 366 A HN 0.462 nan 8.150 nan 0.000 0.521 367 I N 2.838 123.426 120.570 0.030 0.000 2.439 367 I HA 0.146 4.316 4.170 -0.000 0.000 0.283 367 I C -0.072 176.092 176.117 0.078 0.000 1.023 367 I CA -0.819 60.505 61.300 0.040 0.000 1.100 367 I CB 1.742 39.766 38.000 0.039 0.000 1.238 367 I HN 0.572 nan 8.210 nan 0.000 0.445 368 N N 5.931 124.709 118.700 0.130 0.000 2.434 368 N HA 0.046 4.786 4.740 -0.000 0.000 0.273 368 N C 0.965 176.548 175.510 0.122 0.000 1.210 368 N CA 0.198 53.347 53.050 0.166 0.000 0.992 368 N CB 0.860 39.530 38.487 0.305 0.000 1.355 368 N HN 0.458 nan 8.380 nan 0.000 0.495 369 V N 3.325 123.294 119.914 0.091 0.000 2.317 369 V HA -0.284 3.836 4.120 -0.000 0.000 0.251 369 V C 2.322 178.453 176.094 0.060 0.000 1.065 369 V CA 2.370 64.713 62.300 0.071 0.000 1.049 369 V CB -1.124 30.739 31.823 0.067 0.000 0.651 369 V HN 0.745 nan 8.190 nan 0.000 0.450 370 G N -0.837 107.996 108.800 0.055 0.000 2.421 370 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 370 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 370 G C 1.584 176.497 174.900 0.021 0.000 1.171 370 G CA 1.079 46.198 45.100 0.032 0.000 0.775 370 G HN 0.469 nan 8.290 nan 0.000 0.543 371 L N 1.052 122.292 121.223 0.029 0.000 2.145 371 L HA 0.109 4.449 4.340 -0.000 0.000 0.201 371 L C 1.689 178.578 176.870 0.031 0.000 1.075 371 L CA 0.473 55.312 54.840 -0.001 0.000 0.773 371 L CB -0.382 41.636 42.059 -0.068 0.000 0.936 371 L HN 0.249 nan 8.230 nan 0.000 0.451 372 S N 0.855 116.602 115.700 0.078 0.000 2.533 372 S HA 0.416 4.886 4.470 -0.000 0.000 0.282 372 S C -0.277 174.352 174.600 0.049 0.000 1.304 372 S CA -0.697 57.549 58.200 0.078 0.000 1.063 372 S CB 0.860 64.120 63.200 0.100 0.000 0.881 372 S HN 0.149 nan 8.310 nan 0.000 0.493 373 V N -1.045 118.892 119.914 0.039 0.000 3.216 373 V HA 0.863 4.983 4.120 -0.000 0.000 0.302 373 V C -0.475 175.633 176.094 0.024 0.000 1.286 373 V CA -0.876 61.441 62.300 0.029 0.000 1.048 373 V CB 1.535 33.371 31.823 0.022 0.000 1.081 373 V HN 0.893 nan 8.190 nan 0.000 0.442 374 S N 0.376 116.087 115.700 0.019 0.000 2.707 374 S HA 0.490 4.960 4.470 -0.000 0.000 0.312 374 S C 0.805 175.412 174.600 0.012 0.000 1.116 374 S CA -0.636 57.572 58.200 0.013 0.000 1.078 374 S CB 1.293 64.499 63.200 0.009 0.000 0.997 374 S HN 0.813 nan 8.310 nan 0.000 0.477 375 R N 2.615 123.122 120.500 0.012 0.000 2.115 375 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 375 R C 1.865 178.172 176.300 0.012 0.000 1.133 375 R CA 2.112 58.220 56.100 0.012 0.000 0.935 375 R CB -0.830 29.477 30.300 0.013 0.000 0.853 375 R HN 0.587 nan 8.270 nan 0.000 0.433 376 V N 0.084 120.004 119.914 0.010 0.000 2.237 376 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 376 V C 2.101 178.202 176.094 0.011 0.000 1.046 376 V CA 1.978 64.284 62.300 0.010 0.000 1.007 376 V CB -1.286 30.540 31.823 0.004 0.000 0.638 376 V HN 0.772 nan 8.190 nan 0.000 0.445 377 G N 0.271 109.075 108.800 0.006 0.000 2.684 377 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.358 377 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.358 377 G C 1.392 176.299 174.900 0.011 0.000 1.164 377 G CA 1.636 46.740 45.100 0.008 0.000 0.935 377 G HN 0.487 nan 8.290 nan 0.000 0.574 378 S N 0.840 116.549 115.700 0.015 0.000 2.393 378 S HA -0.179 4.291 4.470 -0.000 0.000 0.234 378 S C 2.813 177.426 174.600 0.021 0.000 1.064 378 S CA 2.920 61.131 58.200 0.018 0.000 1.088 378 S CB -0.861 62.350 63.200 0.018 0.000 0.939 378 S HN 1.587 nan 8.310 nan 0.000 0.448 379 A N 1.014 123.848 122.820 0.024 0.000 1.908 379 A HA 0.195 4.515 4.320 -0.000 0.000 0.218 379 A C 1.445 179.058 177.584 0.048 0.000 1.181 379 A CA 1.531 53.590 52.037 0.038 0.000 0.627 379 A CB -0.531 18.494 19.000 0.043 0.000 0.818 379 A HN 0.613 nan 8.150 nan 0.000 0.445 380 A N -0.499 122.335 122.820 0.023 0.000 2.937 380 A HA 0.599 4.919 4.320 -0.000 0.000 0.338 380 A C -0.200 177.376 177.584 -0.014 0.000 1.273 380 A CA -0.299 51.737 52.037 -0.001 0.000 0.937 380 A CB -0.010 18.967 19.000 -0.039 0.000 1.133 380 A HN 0.542 nan 8.150 nan 0.000 0.491 381 Q N 0.838 120.638 119.800 0.001 0.000 2.511 381 Q HA 0.509 4.849 4.340 -0.000 0.000 0.289 381 Q C -1.627 174.379 176.000 0.010 0.000 1.021 381 Q CA -0.671 55.132 55.803 0.000 0.000 0.785 381 Q CB 2.240 30.983 28.738 0.009 0.000 1.472 381 Q HN 0.300 nan 8.270 nan 0.000 0.411 382 V N 3.777 123.700 119.914 0.015 0.000 2.421 382 V HA 0.003 4.123 4.120 -0.000 0.000 0.271 382 V C 1.352 177.461 176.094 0.026 0.000 1.031 382 V CA 0.510 62.826 62.300 0.026 0.000 1.032 382 V CB 0.829 32.674 31.823 0.037 0.000 1.009 382 V HN 0.812 nan 8.190 nan 0.000 0.477 383 K N 4.498 124.913 120.400 0.024 0.000 2.160 383 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 383 K C 2.028 178.641 176.600 0.021 0.000 1.047 383 K CA 1.773 58.072 56.287 0.022 0.000 0.930 383 K CB -0.062 32.449 32.500 0.019 0.000 0.720 383 K HN 0.832 nan 8.250 nan 0.000 0.450 384 A N 0.535 123.367 122.820 0.020 0.000 1.929 384 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 384 A C 1.932 179.530 177.584 0.025 0.000 1.176 384 A CA 1.011 53.057 52.037 0.015 0.000 0.628 384 A CB -0.390 18.615 19.000 0.007 0.000 0.816 384 A HN 0.337 nan 8.150 nan 0.000 0.444 385 L N -0.326 120.916 121.223 0.031 0.000 2.240 385 L HA 0.043 4.383 4.340 -0.000 0.000 0.211 385 L C 2.125 179.019 176.870 0.040 0.000 1.106 385 L CA 2.024 56.888 54.840 0.040 0.000 0.793 385 L CB -0.373 41.710 42.059 0.040 0.000 0.927 385 L HN 0.435 nan 8.230 nan 0.000 0.446 386 K N -1.269 119.152 120.400 0.034 0.000 2.228 386 K HA -0.132 4.188 4.320 -0.000 0.000 0.202 386 K C 1.925 178.548 176.600 0.038 0.000 1.051 386 K CA 0.994 57.301 56.287 0.033 0.000 0.960 386 K CB 0.105 32.621 32.500 0.027 0.000 0.743 386 K HN 0.467 nan 8.250 nan 0.000 0.458 387 Q N 0.145 119.969 119.800 0.041 0.000 1.994 387 Q HA -0.117 4.223 4.340 -0.000 0.000 0.198 387 Q C 2.090 178.136 176.000 0.077 0.000 0.976 387 Q CA 1.857 57.690 55.803 0.050 0.000 0.828 387 Q CB -0.028 28.734 28.738 0.041 0.000 0.894 387 Q HN 0.307 nan 8.270 nan 0.000 0.432 388 V N -1.971 118.001 119.914 0.097 0.000 2.759 388 V HA 0.020 4.140 4.120 -0.000 0.000 0.256 388 V C 1.278 177.429 176.094 0.095 0.000 1.080 388 V CA 1.394 63.789 62.300 0.159 0.000 1.101 388 V CB -0.714 31.223 31.823 0.190 0.000 0.698 388 V HN 0.239 nan 8.190 nan 0.000 0.477 389 A N 0.555 123.413 122.820 0.063 0.000 3.106 389 A HA 0.685 5.005 4.320 -0.000 0.000 0.306 389 A C 1.652 179.256 177.584 0.033 0.000 1.192 389 A CA 0.313 52.374 52.037 0.040 0.000 0.994 389 A CB -0.389 18.636 19.000 0.042 0.000 1.107 389 A HN 0.507 nan 8.150 nan 0.000 0.585 390 G N 0.206 109.024 108.800 0.030 0.000 2.443 390 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.219 390 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.219 390 G C 1.275 176.188 174.900 0.023 0.000 1.131 390 G CA 1.554 46.669 45.100 0.026 0.000 0.775 390 G HN 1.034 nan 8.290 nan 0.000 0.547 391 S N -1.090 114.618 115.700 0.013 0.000 2.733 391 S HA 0.204 4.674 4.470 -0.000 0.000 0.247 391 S C 1.684 176.324 174.600 0.067 0.000 1.043 391 S CA 0.083 58.301 58.200 0.029 0.000 1.066 391 S CB 0.183 63.380 63.200 -0.004 0.000 1.045 391 S HN 0.089 nan 8.310 nan 0.000 0.586 392 L N 2.356 123.608 121.223 0.047 0.000 2.043 392 L HA -0.000 4.340 4.340 -0.000 0.000 0.212 392 L C 2.342 179.285 176.870 0.122 0.000 1.075 392 L CA 2.146 57.034 54.840 0.080 0.000 0.752 392 L CB -0.652 41.434 42.059 0.046 0.000 0.891 392 L HN 0.321 nan 8.230 nan 0.000 0.432 393 K N -0.451 120.002 120.400 0.088 0.000 1.985 393 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 393 K C 1.874 178.529 176.600 0.093 0.000 1.047 393 K CA 2.038 58.372 56.287 0.079 0.000 0.932 393 K CB -0.652 31.882 32.500 0.057 0.000 0.716 393 K HN 0.300 nan 8.250 nan 0.000 0.439 394 L N 0.009 121.292 121.223 0.100 0.000 2.141 394 L HA -0.004 4.336 4.340 -0.000 0.000 0.209 394 L C 2.260 179.209 176.870 0.131 0.000 1.094 394 L CA 1.283 56.181 54.840 0.096 0.000 0.763 394 L CB -0.757 41.355 42.059 0.088 0.000 0.908 394 L HN 0.152 nan 8.230 nan 0.000 0.437 395 F N -0.007 119.955 119.950 0.019 0.000 2.146 395 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 395 F C 2.145 177.980 175.800 0.057 0.000 1.096 395 F CA 1.327 59.343 58.000 0.025 0.000 1.275 395 F CB -0.185 38.816 39.000 0.002 0.000 1.008 395 F HN -0.089 nan 8.300 nan 0.000 0.480 396 L N -0.310 120.952 121.223 0.064 0.000 2.191 396 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 396 L C 2.640 179.523 176.870 0.021 0.000 1.103 396 L CA 0.964 55.812 54.840 0.012 0.000 0.769 396 L CB -1.029 41.068 42.059 0.063 0.000 0.908 396 L HN 0.250 nan 8.230 nan 0.000 0.438 397 A N -0.540 122.283 122.820 0.005 0.000 1.929 397 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 397 A C 2.185 179.737 177.584 -0.054 0.000 1.176 397 A CA 1.039 53.073 52.037 -0.005 0.000 0.628 397 A CB -0.283 18.721 19.000 0.007 0.000 0.816 397 A HN 0.437 nan 8.150 nan 0.000 0.444 398 Q N -2.188 117.548 119.800 -0.107 0.000 2.291 398 Q HA -0.150 4.190 4.340 -0.000 0.000 0.205 398 Q C 1.796 177.669 176.000 -0.211 0.000 0.970 398 Q CA 1.498 57.205 55.803 -0.161 0.000 0.876 398 Q CB -0.227 28.402 28.738 -0.181 0.000 0.935 398 Q HN 0.875 nan 8.270 nan 0.000 0.455 399 Y N 0.794 120.865 120.300 -0.381 0.000 2.314 399 Y HA -0.051 4.499 4.550 -0.000 0.000 0.294 399 Y C 2.290 178.093 175.900 -0.161 0.000 1.119 399 Y CA 1.031 58.934 58.100 -0.329 0.000 1.179 399 Y CB 0.139 38.370 38.460 -0.382 0.000 1.025 399 Y HN -0.147 nan 8.280 nan 0.000 0.541 400 R N 0.573 121.019 120.500 -0.091 0.000 2.115 400 R HA -0.172 4.168 4.340 -0.000 0.000 0.230 400 R C 2.212 178.423 176.300 -0.147 0.000 1.111 400 R CA 1.720 57.754 56.100 -0.109 0.000 0.976 400 R CB -0.251 30.051 30.300 0.004 0.000 0.870 400 R HN 0.518 nan 8.270 nan 0.000 0.445 401 E N -0.248 119.870 120.200 -0.135 0.000 2.158 401 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 401 E C 0.850 177.364 176.600 -0.143 0.000 0.982 401 E CA 0.949 57.280 56.400 -0.115 0.000 0.823 401 E CB 0.421 30.061 29.700 -0.100 0.000 0.766 401 E HN 0.221 nan 8.360 nan 0.000 0.468 402 V N 0.606 120.392 119.914 -0.214 0.000 3.444 402 V HA 0.217 4.337 4.120 -0.000 0.000 0.308 402 V C 1.592 177.557 176.094 -0.216 0.000 1.371 402 V CA 0.647 62.819 62.300 -0.213 0.000 1.141 402 V CB 0.412 32.078 31.823 -0.262 0.000 1.037 402 V HN 0.275 nan 8.190 nan 0.000 0.433 403 A N 0.782 123.405 122.820 -0.329 0.000 1.929 403 A HA 0.267 4.587 4.320 -0.000 0.000 0.216 403 A C 1.765 179.267 177.584 -0.137 0.000 1.176 403 A CA 1.274 53.079 52.037 -0.387 0.000 0.628 403 A CB -0.120 18.595 19.000 -0.474 0.000 0.816 403 A HN 0.633 nan 8.150 nan 0.000 0.444 404 A N -1.953 120.831 122.820 -0.060 0.000 3.215 404 A HA 0.585 4.905 4.320 -0.000 0.000 0.269 404 A C 0.184 177.823 177.584 0.092 0.000 1.517 404 A CA -0.237 51.801 52.037 0.002 0.000 1.221 404 A CB -0.630 18.369 19.000 -0.002 0.000 1.160 404 A HN 0.711 nan 8.150 nan 0.000 0.620 405 F N -0.267 119.634 119.950 -0.083 0.000 2.743 405 F HA 0.297 4.824 4.527 -0.000 0.000 0.356 405 F C 1.834 177.604 175.800 -0.049 0.000 0.845 405 F CA 0.863 58.825 58.000 -0.063 0.000 1.058 405 F CB -0.120 38.837 39.000 -0.071 0.000 0.952 405 F HN 0.313 nan 8.300 nan 0.000 0.620 406 A N 0.780 123.605 122.820 0.009 0.000 2.019 406 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 406 A C 1.200 178.696 177.584 -0.146 0.000 1.164 406 A CA 1.011 53.015 52.037 -0.056 0.000 0.644 406 A CB -0.738 18.277 19.000 0.024 0.000 0.805 406 A HN 0.535 nan 8.150 nan 0.000 0.449 411 D N 2.435 122.799 120.400 -0.059 0.000 2.347 411 D HA 0.470 5.110 4.640 -0.000 0.000 0.235 411 D C -0.702 175.660 176.300 0.103 0.000 1.149 411 D CA 0.034 54.048 54.000 0.022 0.000 0.850 411 D CB 0.581 41.393 40.800 0.021 0.000 1.061 411 D HN 0.253 nan 8.370 nan 0.000 0.487 412 L N 3.700 124.977 121.223 0.090 0.000 2.313 412 L HA 0.152 4.492 4.340 -0.000 0.000 0.282 412 L C 1.398 178.312 176.870 0.073 0.000 1.092 412 L CA -0.440 54.464 54.840 0.107 0.000 0.831 412 L CB 0.648 42.758 42.059 0.085 0.000 1.159 412 L HN 0.408 nan 8.230 nan 0.000 0.442 413 D N 3.178 123.621 120.400 0.071 0.000 2.101 413 D HA 0.065 4.705 4.640 -0.000 0.000 0.286 413 D C 0.928 177.247 176.300 0.032 0.000 1.145 413 D CA 0.546 54.573 54.000 0.045 0.000 0.883 413 D CB 0.399 41.222 40.800 0.039 0.000 0.935 413 D HN 0.474 nan 8.370 nan 0.000 0.313 414 A N -0.396 122.438 122.820 0.024 0.000 1.853 414 A HA 0.172 4.492 4.320 -0.000 0.000 0.204 414 A C 2.135 179.729 177.584 0.018 0.000 1.724 414 A CA 0.472 52.520 52.037 0.018 0.000 1.105 414 A CB 0.061 19.068 19.000 0.012 0.000 1.101 414 A HN 0.263 nan 8.150 nan 0.000 0.495 415 S N 0.786 116.494 115.700 0.012 0.000 2.371 415 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 415 S C 1.895 176.505 174.600 0.016 0.000 1.029 415 S CA 2.008 60.215 58.200 0.011 0.000 0.978 415 S CB -0.398 62.802 63.200 -0.000 0.000 0.833 415 S HN 0.817 nan 8.310 nan 0.000 0.466 416 T N -0.487 114.067 114.554 0.001 0.000 3.086 416 T HA 0.293 4.643 4.350 -0.000 0.000 0.250 416 T C 1.345 176.064 174.700 0.033 0.000 1.074 416 T CA 0.049 62.142 62.100 -0.011 0.000 0.988 416 T CB 0.117 68.928 68.868 -0.095 0.000 0.988 416 T HN 0.268 nan 8.240 nan 0.000 0.530 417 K N 0.968 121.395 120.400 0.045 0.000 2.031 417 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 417 K C 2.427 179.065 176.600 0.063 0.000 1.049 417 K CA 1.181 57.502 56.287 0.057 0.000 0.939 417 K CB -0.078 32.449 32.500 0.045 0.000 0.717 417 K HN 0.251 nan 8.250 nan 0.000 0.438 418 Q N 0.316 120.151 119.800 0.058 0.000 2.187 418 Q HA -0.044 4.296 4.340 -0.000 0.000 0.199 418 Q C 1.619 177.691 176.000 0.119 0.000 0.957 418 Q CA 1.924 57.765 55.803 0.063 0.000 0.857 418 Q CB -0.134 28.625 28.738 0.036 0.000 0.929 418 Q HN 0.314 nan 8.270 nan 0.000 0.453 419 T N 0.939 115.583 114.554 0.150 0.000 2.699 419 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 419 T C 1.602 176.458 174.700 0.260 0.000 1.036 419 T CA 1.421 63.677 62.100 0.260 0.000 1.147 419 T CB -0.355 68.603 68.868 0.149 0.000 0.862 419 T HN 0.367 nan 8.240 nan 0.000 0.446 420 L N 1.038 122.364 121.223 0.171 0.000 2.291 420 L HA -0.027 4.313 4.340 -0.000 0.000 0.214 420 L C 2.191 179.180 176.870 0.198 0.000 1.120 420 L CA 0.784 55.742 54.840 0.197 0.000 0.799 420 L CB -0.145 41.992 42.059 0.130 0.000 0.925 420 L HN 0.091 nan 8.230 nan 0.000 0.446 421 V N -0.378 119.622 119.914 0.143 0.000 2.346 421 V HA -0.153 3.967 4.120 -0.000 0.000 0.244 421 V C 2.699 178.839 176.094 0.077 0.000 1.037 421 V CA 1.363 63.717 62.300 0.089 0.000 1.029 421 V CB -0.699 31.153 31.823 0.048 0.000 0.663 421 V HN 0.398 nan 8.190 nan 0.000 0.454 422 R N 0.648 121.214 120.500 0.109 0.000 2.096 422 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 422 R C 2.521 178.873 176.300 0.087 0.000 1.134 422 R CA 1.863 58.003 56.100 0.066 0.000 0.917 422 R CB -1.422 28.891 30.300 0.023 0.000 0.832 422 R HN 0.549 nan 8.270 nan 0.000 0.430 423 G N 0.980 109.924 108.800 0.239 0.000 2.469 423 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.220 423 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.220 423 G C 1.346 175.967 174.900 -0.466 0.000 1.136 423 G CA 0.951 45.963 45.100 -0.147 0.000 0.759 423 G HN 0.491 nan 8.290 nan 0.000 0.562 424 E N 0.802 120.911 120.200 -0.152 0.000 2.171 424 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 424 E C 2.455 179.016 176.600 -0.065 0.000 0.997 424 E CA 1.258 57.645 56.400 -0.022 0.000 0.810 424 E CB -0.025 29.747 29.700 0.121 0.000 0.738 424 E HN 0.673 nan 8.360 nan 0.000 0.467 425 R N -0.755 119.698 120.500 -0.078 0.000 2.365 425 R HA 0.171 4.511 4.340 -0.000 0.000 0.223 425 R C 2.067 178.310 176.300 -0.095 0.000 0.899 425 R CA -0.091 55.963 56.100 -0.077 0.000 1.059 425 R CB -0.029 30.222 30.300 -0.081 0.000 1.086 425 R HN 0.139 nan 8.270 nan 0.000 0.522 426 L N 1.088 122.243 121.223 -0.113 0.000 2.179 426 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 426 L C 1.704 178.520 176.870 -0.090 0.000 1.096 426 L CA 1.254 56.038 54.840 -0.093 0.000 0.779 426 L CB -0.193 41.829 42.059 -0.062 0.000 0.922 426 L HN 0.189 nan 8.230 nan 0.000 0.443 427 T N -1.440 113.032 114.554 -0.137 0.000 2.737 427 T HA -0.242 4.108 4.350 -0.000 0.000 0.265 427 T C 1.770 176.445 174.700 -0.042 0.000 1.038 427 T CA 1.204 63.248 62.100 -0.092 0.000 1.144 427 T CB -0.133 68.671 68.868 -0.106 0.000 0.866 427 T HN 0.151 nan 8.240 nan 0.000 0.434 428 Q N 0.829 120.605 119.800 -0.040 0.000 2.181 428 Q HA 0.021 4.361 4.340 -0.000 0.000 0.205 428 Q C 2.013 178.008 176.000 -0.008 0.000 0.980 428 Q CA 1.181 56.973 55.803 -0.017 0.000 0.862 428 Q CB -0.662 28.066 28.738 -0.016 0.000 0.905 428 Q HN 0.540 nan 8.270 nan 0.000 0.429 429 L N -0.807 120.404 121.223 -0.020 0.000 2.156 429 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 429 L C 1.719 178.597 176.870 0.013 0.000 1.095 429 L CA 0.804 55.643 54.840 -0.002 0.000 0.770 429 L CB -0.008 42.037 42.059 -0.023 0.000 0.914 429 L HN 0.315 nan 8.230 nan 0.000 0.439 430 L N -0.475 120.750 121.223 0.003 0.000 2.395 430 L HA -0.055 4.285 4.340 -0.000 0.000 0.218 430 L C 0.966 177.845 176.870 0.014 0.000 1.130 430 L CA 0.197 55.044 54.840 0.012 0.000 0.826 430 L CB -0.273 41.791 42.059 0.008 0.000 0.941 430 L HN 0.121 nan 8.230 nan 0.000 0.451 431 K N 1.277 121.683 120.400 0.009 0.000 2.485 431 K HA 0.064 4.384 4.320 -0.000 0.000 0.277 431 K C -0.013 176.597 176.600 0.017 0.000 0.990 431 K CA 0.578 56.869 56.287 0.006 0.000 0.994 431 K CB 0.435 32.934 32.500 -0.001 0.000 0.906 431 K HN 0.019 nan 8.250 nan 0.000 0.488 432 Q N 2.554 122.361 119.800 0.012 0.000 2.313 432 Q HA 0.071 4.411 4.340 -0.000 0.000 0.260 432 Q C -1.325 174.684 176.000 0.016 0.000 0.972 432 Q CA -0.859 54.957 55.803 0.022 0.000 0.886 432 Q CB 1.077 29.831 28.738 0.026 0.000 1.373 432 Q HN 0.738 nan 8.270 nan 0.000 0.416 433 N N 2.777 121.494 118.700 0.028 0.000 2.482 433 N HA 0.024 4.764 4.740 -0.000 0.000 0.260 433 N C -0.336 175.191 175.510 0.029 0.000 1.236 433 N CA -0.256 52.814 53.050 0.033 0.000 0.938 433 N CB 0.855 39.376 38.487 0.056 0.000 1.128 433 N HN 0.688 nan 8.380 nan 0.000 0.448 434 Q N -0.238 119.567 119.800 0.008 0.000 2.479 434 Q HA -0.087 4.253 4.340 -0.000 0.000 0.267 434 Q C -0.528 175.478 176.000 0.010 0.000 1.071 434 Q CA 0.118 55.853 55.803 -0.114 0.000 0.935 434 Q CB 0.078 28.667 28.738 -0.248 0.000 1.295 434 Q HN 0.623 nan 8.270 nan 0.000 0.476 435 Y N -0.536 119.770 120.300 0.011 0.000 4.409 435 Y HA -0.258 4.292 4.550 -0.000 0.000 0.228 435 Y C -0.228 175.695 175.900 0.038 0.000 1.108 435 Y CA 0.976 59.073 58.100 -0.004 0.000 1.955 435 Y CB -1.953 36.544 38.460 0.062 0.000 1.615 435 Y HN 0.361 nan 8.280 nan 0.000 0.665 436 S N -0.182 115.592 115.700 0.123 0.000 2.128 436 S HA 0.372 4.842 4.470 -0.000 0.000 0.157 436 S C -2.499 172.145 174.600 0.072 0.000 1.650 436 S CA -0.967 57.298 58.200 0.108 0.000 1.269 436 S CB 1.113 64.373 63.200 0.100 0.000 1.227 436 S HN -0.064 nan 8.310 nan 0.000 0.405 437 P HA 0.275 nan 4.420 nan 0.000 0.271 437 P C -0.728 176.612 177.300 0.067 0.000 1.216 437 P CA -0.239 62.900 63.100 0.064 0.000 0.771 437 P CB 0.585 32.330 31.700 0.075 0.000 0.864 438 L N 1.857 123.118 121.223 0.064 0.000 2.334 438 L HA 0.643 4.983 4.340 -0.000 0.000 0.276 438 L C 0.595 177.505 176.870 0.066 0.000 1.014 438 L CA -1.127 53.747 54.840 0.058 0.000 0.815 438 L CB 1.649 43.742 42.059 0.056 0.000 1.268 438 L HN 0.357 nan 8.230 nan 0.000 0.428 439 A N 1.374 124.219 122.820 0.043 0.000 2.407 439 A HA 0.278 4.598 4.320 -0.000 0.000 0.248 439 A C 1.110 178.726 177.584 0.054 0.000 1.082 439 A CA -0.204 51.857 52.037 0.040 0.000 0.785 439 A CB 0.377 19.356 19.000 -0.034 0.000 1.020 439 A HN 0.855 nan 8.150 nan 0.000 0.489 440 T N 0.800 115.403 114.554 0.083 0.000 2.929 440 T HA -0.130 4.220 4.350 -0.000 0.000 0.271 440 T C 1.509 176.232 174.700 0.040 0.000 1.085 440 T CA 1.778 63.921 62.100 0.072 0.000 1.125 440 T CB -0.206 68.720 68.868 0.096 0.000 0.874 440 T HN 0.878 nan 8.240 nan 0.000 0.494 441 E N 1.310 121.518 120.200 0.014 0.000 2.358 441 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 441 E C 1.452 178.047 176.600 -0.009 0.000 1.010 441 E CA 0.741 57.135 56.400 -0.010 0.000 0.856 441 E CB -0.108 29.568 29.700 -0.039 0.000 0.795 441 E HN 0.562 nan 8.360 nan 0.000 0.504 442 E N 0.740 120.944 120.200 0.007 0.000 2.364 442 E HA -0.009 4.341 4.350 -0.000 0.000 0.196 442 E C 2.026 178.662 176.600 0.060 0.000 0.990 442 E CA 0.114 56.526 56.400 0.020 0.000 0.886 442 E CB 0.211 29.921 29.700 0.016 0.000 0.866 442 E HN 0.325 nan 8.360 nan 0.000 0.493 443 Q N 0.675 120.511 119.800 0.059 0.000 2.083 443 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 443 Q C 2.569 178.621 176.000 0.086 0.000 0.969 443 Q CA 1.645 57.492 55.803 0.074 0.000 0.838 443 Q CB -0.134 28.643 28.738 0.064 0.000 0.900 443 Q HN 0.221 nan 8.270 nan 0.000 0.436 444 V N -0.639 119.316 119.914 0.069 0.000 2.332 444 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 444 V C -0.833 175.327 176.094 0.110 0.000 1.055 444 V CA 1.390 63.731 62.300 0.069 0.000 1.038 444 V CB -2.289 29.547 31.823 0.023 0.000 0.651 444 V HN 0.187 nan 8.190 nan 0.000 0.450 445 P HA -0.029 nan 4.420 nan 0.000 0.216 445 P C 2.095 179.583 177.300 0.313 0.000 1.153 445 P CA 1.262 64.518 63.100 0.260 0.000 0.844 445 P CB -0.073 31.801 31.700 0.291 0.000 0.787 446 L N -1.287 120.084 121.223 0.247 0.000 1.943 446 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 446 L C 2.339 179.268 176.870 0.099 0.000 1.074 446 L CA 1.531 56.474 54.840 0.172 0.000 0.759 446 L CB -1.243 40.907 42.059 0.152 0.000 0.888 446 L HN -0.122 nan 8.230 nan 0.000 0.433 447 I N -0.999 119.631 120.570 0.100 0.000 2.185 447 I HA -0.365 3.805 4.170 -0.000 0.000 0.246 447 I C 2.415 178.577 176.117 0.075 0.000 1.088 447 I CA 1.581 62.923 61.300 0.070 0.000 1.347 447 I CB -0.671 37.375 38.000 0.077 0.000 1.041 447 I HN 0.171 nan 8.210 nan 0.000 0.415 448 Y N 1.255 121.552 120.300 -0.006 0.000 2.165 448 Y HA -0.317 4.233 4.550 -0.000 0.000 0.286 448 Y C 2.461 178.336 175.900 -0.041 0.000 1.155 448 Y CA 1.643 59.731 58.100 -0.021 0.000 1.164 448 Y CB -0.594 37.850 38.460 -0.025 0.000 0.978 448 Y HN 0.164 nan 8.280 nan 0.000 0.513 449 A N -0.509 122.280 122.820 -0.051 0.000 2.076 449 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 449 A C 2.351 179.854 177.584 -0.137 0.000 1.160 449 A CA 1.754 53.697 52.037 -0.157 0.000 0.653 449 A CB -1.405 17.449 19.000 -0.243 0.000 0.801 449 A HN 0.600 nan 8.150 nan 0.000 0.455 450 G N -1.108 107.611 108.800 -0.136 0.000 2.641 450 G HA2 0.104 4.064 3.960 -0.000 0.000 0.211 450 G HA3 0.104 4.064 3.960 -0.000 0.000 0.211 450 G C 1.400 176.191 174.900 -0.180 0.000 1.190 450 G CA 0.811 45.822 45.100 -0.148 0.000 0.842 450 G HN 0.221 nan 8.290 nan 0.000 0.585 451 V N 1.948 121.759 119.914 -0.172 0.000 2.380 451 V HA -0.246 3.874 4.120 -0.000 0.000 0.251 451 V C 2.456 178.404 176.094 -0.243 0.000 1.063 451 V CA 1.996 64.170 62.300 -0.209 0.000 1.055 451 V CB -0.532 31.212 31.823 -0.132 0.000 0.657 451 V HN 0.400 nan 8.190 nan 0.000 0.455 452 N N -0.188 118.349 118.700 -0.272 0.000 2.333 452 N HA 0.077 4.817 4.740 -0.000 0.000 0.178 452 N C 1.177 176.532 175.510 -0.257 0.000 1.018 452 N CA 1.002 53.885 53.050 -0.278 0.000 0.882 452 N CB 0.454 38.669 38.487 -0.454 0.000 0.984 452 N HN 0.591 nan 8.380 nan 0.000 0.434 453 G N 0.937 109.600 108.800 -0.228 0.000 2.953 453 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.203 453 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.203 453 G C -0.412 174.256 174.900 -0.387 0.000 1.094 453 G CA -0.526 44.412 45.100 -0.269 0.000 1.016 453 G HN 0.441 nan 8.290 nan 0.000 0.535 454 H N -0.469 118.473 119.070 -0.214 0.000 3.046 454 H HA 0.398 4.954 4.556 -0.000 0.000 0.262 454 H C 2.186 177.386 175.328 -0.213 0.000 1.044 454 H CA 0.214 56.158 56.048 -0.174 0.000 1.209 454 H CB 0.625 30.297 29.762 -0.149 0.000 1.507 454 H HN 0.373 nan 8.280 nan 0.000 0.507 455 L N 0.065 121.187 121.223 -0.168 0.000 2.766 455 L HA 0.127 4.467 4.340 -0.000 0.000 0.242 455 L C 0.777 177.528 176.870 -0.199 0.000 1.136 455 L CA 0.032 54.706 54.840 -0.277 0.000 0.933 455 L CB 0.561 42.377 42.059 -0.404 0.000 1.241 455 L HN 0.112 nan 8.230 nan 0.000 0.522 456 D N 1.252 121.558 120.400 -0.156 0.000 2.106 456 D HA -0.175 4.465 4.640 -0.000 0.000 0.191 456 D C 1.866 178.109 176.300 -0.096 0.000 0.997 456 D CA 1.720 55.649 54.000 -0.119 0.000 0.834 456 D CB -0.100 40.630 40.800 -0.116 0.000 0.956 456 D HN 0.280 nan 8.370 nan 0.000 0.448 457 G N -0.706 108.038 108.800 -0.095 0.000 3.474 457 G HA2 0.358 4.318 3.960 -0.000 0.000 0.269 457 G HA3 0.358 4.318 3.960 -0.000 0.000 0.269 457 G C -0.212 174.645 174.900 -0.072 0.000 1.339 457 G CA -0.202 44.856 45.100 -0.071 0.000 1.258 457 G HN 0.045 nan 8.290 nan 0.000 0.560 458 I N 0.799 121.313 120.570 -0.093 0.000 2.509 458 I HA 0.234 4.404 4.170 -0.000 0.000 0.293 458 I C 0.283 176.358 176.117 -0.070 0.000 1.020 458 I CA -1.304 59.941 61.300 -0.092 0.000 1.088 458 I CB 2.025 39.929 38.000 -0.160 0.000 1.267 458 I HN 0.302 nan 8.210 nan 0.000 0.430 459 E N 5.450 125.626 120.200 -0.041 0.000 2.442 459 E HA -0.008 4.342 4.350 -0.000 0.000 0.262 459 E C 0.190 176.775 176.600 -0.024 0.000 1.004 459 E CA -0.232 56.155 56.400 -0.023 0.000 0.928 459 E CB 0.678 30.374 29.700 -0.006 0.000 0.937 459 E HN 0.409 nan 8.360 nan 0.000 0.446 460 L N 2.867 124.081 121.223 -0.015 0.000 2.083 460 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 460 L C 2.712 179.584 176.870 0.003 0.000 1.083 460 L CA 2.211 57.044 54.840 -0.012 0.000 0.752 460 L CB -0.974 41.085 42.059 -0.000 0.000 0.899 460 L HN 0.800 nan 8.230 nan 0.000 0.433 461 S N -0.066 115.641 115.700 0.011 0.000 2.359 461 S HA -0.229 4.241 4.470 -0.000 0.000 0.224 461 S C 2.073 176.694 174.600 0.036 0.000 1.035 461 S CA 1.061 59.273 58.200 0.021 0.000 1.018 461 S CB -0.520 62.692 63.200 0.020 0.000 0.876 461 S HN 0.423 nan 8.310 nan 0.000 0.448 462 R N 0.299 120.824 120.500 0.043 0.000 2.299 462 R HA 0.252 4.592 4.340 -0.000 0.000 0.197 462 R C 1.723 178.092 176.300 0.116 0.000 0.971 462 R CA 0.170 56.317 56.100 0.079 0.000 1.030 462 R CB -0.300 30.051 30.300 0.086 0.000 0.932 462 R HN 0.414 nan 8.270 nan 0.000 0.477 463 I N 0.452 121.059 120.570 0.063 0.000 2.208 463 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 463 I C 2.391 178.584 176.117 0.127 0.000 1.097 463 I CA 1.558 62.891 61.300 0.055 0.000 1.363 463 I CB -1.473 36.511 38.000 -0.025 0.000 1.051 463 I HN 0.211 nan 8.210 nan 0.000 0.413 464 G N 1.346 110.202 108.800 0.093 0.000 2.440 464 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 464 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 464 G C 1.409 176.383 174.900 0.122 0.000 1.154 464 G CA 0.883 46.038 45.100 0.092 0.000 0.767 464 G HN 0.665 nan 8.290 nan 0.000 0.552 465 E N -0.832 119.450 120.200 0.135 0.000 2.442 465 E HA 0.095 4.445 4.350 -0.000 0.000 0.195 465 E C 1.919 178.627 176.600 0.180 0.000 1.030 465 E CA -0.266 56.213 56.400 0.131 0.000 0.869 465 E CB -0.318 29.445 29.700 0.104 0.000 0.857 465 E HN 0.387 nan 8.360 nan 0.000 0.505 466 F N 2.729 122.731 119.950 0.087 0.000 2.234 466 F HA -0.077 4.450 4.527 0.000 0.000 0.299 466 F C 2.196 178.087 175.800 0.152 0.000 1.087 466 F CA 1.683 59.760 58.000 0.128 0.000 1.340 466 F CB 0.105 39.150 39.000 0.075 0.000 1.031 466 F HN 0.024 nan 8.300 nan 0.000 0.500 467 E N -0.029 120.344 120.200 0.288 0.000 2.118 467 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 467 E C 2.107 178.767 176.600 0.100 0.000 0.992 467 E CA 1.643 58.168 56.400 0.208 0.000 0.804 467 E CB -0.147 29.654 29.700 0.169 0.000 0.741 467 E HN 0.547 nan 8.360 nan 0.000 0.458 468 S N 0.102 115.842 115.700 0.068 0.000 2.388 468 S HA -0.116 4.354 4.470 -0.000 0.000 0.223 468 S C 2.254 176.849 174.600 -0.009 0.000 1.034 468 S CA 0.968 59.188 58.200 0.033 0.000 0.963 468 S CB -0.290 62.937 63.200 0.045 0.000 0.827 468 S HN 0.343 nan 8.310 nan 0.000 0.481 469 S N 1.082 116.774 115.700 -0.014 0.000 2.406 469 S HA 0.042 4.512 4.470 -0.000 0.000 0.228 469 S C 1.539 176.022 174.600 -0.194 0.000 1.020 469 S CA 0.529 58.728 58.200 -0.002 0.000 0.965 469 S CB -0.876 62.397 63.200 0.122 0.000 0.798 469 S HN 0.456 nan 8.310 nan 0.000 0.488 470 F N 1.766 121.387 119.950 -0.548 0.000 2.456 470 F HA 0.384 4.911 4.527 -0.000 0.000 0.298 470 F C 1.593 177.140 175.800 -0.422 0.000 1.104 470 F CA 0.495 57.997 58.000 -0.831 0.000 1.435 470 F CB -0.072 38.430 39.000 -0.829 0.000 1.078 470 F HN 0.139 nan 8.300 nan 0.000 0.546 471 L N -0.779 120.301 121.223 -0.239 0.000 2.513 471 L HA 0.012 4.352 4.340 -0.000 0.000 0.222 471 L C 2.381 179.138 176.870 -0.189 0.000 1.096 471 L CA 0.832 55.547 54.840 -0.208 0.000 0.857 471 L CB -0.437 41.585 42.059 -0.061 0.000 1.026 471 L HN 0.163 nan 8.230 nan 0.000 0.469 472 S N -1.012 114.599 115.700 -0.148 0.000 2.446 472 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 472 S C 1.947 176.484 174.600 -0.105 0.000 1.016 472 S CA 0.334 58.477 58.200 -0.095 0.000 0.943 472 S CB -0.475 62.705 63.200 -0.034 0.000 0.786 472 S HN 0.481 nan 8.310 nan 0.000 0.508 473 Y N 2.334 122.434 120.300 -0.332 0.000 2.263 473 Y HA 0.230 4.780 4.550 -0.000 0.000 0.292 473 Y C 1.772 177.507 175.900 -0.276 0.000 1.130 473 Y CA 0.936 58.837 58.100 -0.330 0.000 1.179 473 Y CB -0.322 37.737 38.460 -0.668 0.000 0.998 473 Y HN 0.199 nan 8.280 nan 0.000 0.532 474 L N 0.138 121.053 121.223 -0.513 0.000 2.072 474 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 474 L C 1.815 178.510 176.870 -0.292 0.000 1.079 474 L CA 1.303 55.862 54.840 -0.468 0.000 0.752 474 L CB -0.452 41.326 42.059 -0.468 0.000 0.906 474 L HN -0.016 nan 8.230 nan 0.000 0.436 475 K N -0.713 119.548 120.400 -0.232 0.000 2.591 475 K HA 0.008 4.328 4.320 -0.000 0.000 0.197 475 K C 1.307 177.817 176.600 -0.149 0.000 1.026 475 K CA 0.242 56.432 56.287 -0.162 0.000 1.127 475 K CB 0.155 32.581 32.500 -0.123 0.000 0.871 475 K HN 0.069 nan 8.250 nan 0.000 0.507 476 S N -0.649 114.937 115.700 -0.189 0.000 2.661 476 S HA 0.166 4.636 4.470 -0.000 0.000 0.275 476 S C 0.558 175.037 174.600 -0.203 0.000 1.075 476 S CA -0.333 57.773 58.200 -0.157 0.000 1.251 476 S CB 0.327 63.461 63.200 -0.109 0.000 1.167 476 S HN 0.242 nan 8.310 nan 0.000 0.648 477 N N 0.135 118.649 118.700 -0.310 0.000 2.354 477 N HA 0.179 4.919 4.740 -0.000 0.000 0.253 477 N C -0.342 174.868 175.510 -0.500 0.000 1.096 477 N CA 0.167 52.972 53.050 -0.408 0.000 0.820 477 N CB 0.051 38.216 38.487 -0.538 0.000 1.610 477 N HN 0.358 nan 8.380 nan 0.000 0.501 478 H N 1.159 119.985 119.070 -0.406 0.000 2.540 478 H HA 0.254 4.810 4.556 -0.000 0.000 0.264 478 H C 0.443 175.633 175.328 -0.231 0.000 1.427 478 H CA -0.113 55.758 56.048 -0.296 0.000 1.103 478 H CB 0.382 29.945 29.762 -0.332 0.000 1.572 478 H HN 0.154 nan 8.280 nan 0.000 0.511 479 N N 1.155 119.775 118.700 -0.133 0.000 2.354 479 N HA -0.110 4.630 4.740 -0.000 0.000 0.179 479 N C 1.494 176.952 175.510 -0.087 0.000 1.021 479 N CA 0.842 53.825 53.050 -0.112 0.000 0.887 479 N CB 0.386 38.804 38.487 -0.114 0.000 0.974 479 N HN 0.468 nan 8.380 nan 0.000 0.437 480 E N -0.280 119.871 120.200 -0.081 0.000 2.274 480 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 480 E C 1.664 178.233 176.600 -0.051 0.000 0.996 480 E CA 0.411 56.773 56.400 -0.064 0.000 0.840 480 E CB 0.115 29.778 29.700 -0.062 0.000 0.772 480 E HN 0.428 nan 8.360 nan 0.000 0.491 481 L N 0.378 121.575 121.223 -0.044 0.000 2.131 481 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 481 L C 2.340 179.175 176.870 -0.058 0.000 1.087 481 L CA 0.599 55.414 54.840 -0.041 0.000 0.767 481 L CB -0.190 41.854 42.059 -0.025 0.000 0.917 481 L HN 0.142 nan 8.230 nan 0.000 0.441 482 L N -0.771 120.410 121.223 -0.069 0.000 2.093 482 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 482 L C 2.483 179.313 176.870 -0.066 0.000 1.085 482 L CA 1.238 56.033 54.840 -0.075 0.000 0.755 482 L CB -0.699 41.304 42.059 -0.092 0.000 0.904 482 L HN 0.243 nan 8.230 nan 0.000 0.435 483 T N -1.353 113.162 114.554 -0.065 0.000 2.951 483 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 483 T C 1.725 176.394 174.700 -0.051 0.000 1.073 483 T CA 0.953 63.016 62.100 -0.062 0.000 1.134 483 T CB 0.003 68.834 68.868 -0.062 0.000 0.884 483 T HN 0.349 nan 8.240 nan 0.000 0.479 484 E N 0.650 120.822 120.200 -0.046 0.000 2.208 484 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 484 E C 1.922 178.503 176.600 -0.033 0.000 0.988 484 E CA 0.557 56.934 56.400 -0.037 0.000 0.828 484 E CB -0.121 29.557 29.700 -0.035 0.000 0.763 484 E HN 0.498 nan 8.360 nan 0.000 0.478 485 I N 0.518 121.066 120.570 -0.037 0.000 2.286 485 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 485 I C 2.796 178.901 176.117 -0.019 0.000 1.104 485 I CA 0.776 62.059 61.300 -0.028 0.000 1.397 485 I CB -0.307 37.674 38.000 -0.032 0.000 1.072 485 I HN 0.077 nan 8.210 nan 0.000 0.417 486 R N 1.463 121.944 120.500 -0.031 0.000 2.081 486 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 486 R C 1.968 178.255 176.300 -0.022 0.000 1.131 486 R CA 1.815 57.894 56.100 -0.035 0.000 0.960 486 R CB -0.049 30.208 30.300 -0.072 0.000 0.856 486 R HN 0.405 nan 8.270 nan 0.000 0.436 487 E N -0.433 119.751 120.200 -0.026 0.000 2.170 487 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 487 E C 1.903 178.501 176.600 -0.003 0.000 0.981 487 E CA 0.819 57.209 56.400 -0.018 0.000 0.830 487 E CB 0.282 29.966 29.700 -0.025 0.000 0.775 487 E HN 0.304 nan 8.360 nan 0.000 0.470 488 K N -0.739 119.658 120.400 -0.004 0.000 2.168 488 K HA 0.076 4.396 4.320 -0.000 0.000 0.201 488 K C 1.240 177.846 176.600 0.010 0.000 1.049 488 K CA 0.724 57.012 56.287 0.001 0.000 0.974 488 K CB 0.494 32.991 32.500 -0.006 0.000 0.792 488 K HN 0.215 nan 8.250 nan 0.000 0.463 489 G N 1.993 110.799 108.800 0.010 0.000 2.143 489 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.249 489 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.249 489 G C -0.271 174.638 174.900 0.014 0.000 0.981 489 G CA 0.514 45.627 45.100 0.021 0.000 0.665 489 G HN 0.383 nan 8.290 nan 0.000 0.528 490 E N -1.345 118.858 120.200 0.004 0.000 2.445 490 E HA 0.735 5.085 4.350 -0.000 0.000 0.273 490 E C -0.701 175.893 176.600 -0.011 0.000 0.961 490 E CA -1.100 55.300 56.400 0.001 0.000 0.807 490 E CB 1.677 31.378 29.700 0.003 0.000 1.362 490 E HN 0.119 nan 8.360 nan 0.000 0.453 491 L N 1.693 122.908 121.223 -0.013 0.000 2.388 491 L HA 0.347 4.687 4.340 -0.000 0.000 0.267 491 L C -0.522 176.336 176.870 -0.019 0.000 0.995 491 L CA -0.546 54.278 54.840 -0.027 0.000 0.864 491 L CB 1.595 43.628 42.059 -0.042 0.000 1.216 491 L HN 0.385 nan 8.230 nan 0.000 0.430 492 S N 1.082 116.771 115.700 -0.018 0.000 2.600 492 S HA 0.134 4.604 4.470 -0.000 0.000 0.265 492 S C 1.116 175.709 174.600 -0.011 0.000 1.325 492 S CA -0.657 57.536 58.200 -0.011 0.000 1.002 492 S CB 1.413 64.607 63.200 -0.010 0.000 0.921 492 S HN 0.499 nan 8.310 nan 0.000 0.554 493 K N 1.581 121.980 120.400 -0.002 0.000 2.127 493 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 493 K C 1.842 178.442 176.600 -0.000 0.000 1.047 493 K CA 1.652 57.940 56.287 0.003 0.000 0.927 493 K CB -0.223 32.282 32.500 0.009 0.000 0.716 493 K HN 0.496 nan 8.250 nan 0.000 0.450 494 E N 0.384 120.581 120.200 -0.004 0.000 2.028 494 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 494 E C 1.935 178.526 176.600 -0.015 0.000 0.988 494 E CA 0.898 57.295 56.400 -0.004 0.000 0.799 494 E CB -0.273 29.424 29.700 -0.004 0.000 0.755 494 E HN 0.165 nan 8.360 nan 0.000 0.447 495 L N 0.395 121.602 121.223 -0.026 0.000 2.017 495 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 495 L C 2.357 179.181 176.870 -0.076 0.000 1.073 495 L CA 1.067 55.880 54.840 -0.045 0.000 0.745 495 L CB -0.186 41.845 42.059 -0.047 0.000 0.894 495 L HN 0.223 nan 8.230 nan 0.000 0.432 496 L N -0.637 120.539 121.223 -0.078 0.000 2.079 496 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 496 L C 2.568 179.377 176.870 -0.101 0.000 1.081 496 L CA 1.509 56.274 54.840 -0.125 0.000 0.752 496 L CB -0.285 41.737 42.059 -0.060 0.000 0.896 496 L HN 0.346 nan 8.230 nan 0.000 0.433 497 A N -1.507 121.296 122.820 -0.029 0.000 1.898 497 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 497 A C 2.458 180.048 177.584 0.011 0.000 1.181 497 A CA 1.750 53.796 52.037 0.014 0.000 0.620 497 A CB -0.851 18.165 19.000 0.027 0.000 0.819 497 A HN 0.480 nan 8.150 nan 0.000 0.442 498 S N -0.831 114.864 115.700 -0.008 0.000 2.399 498 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 498 S C 1.905 176.494 174.600 -0.017 0.000 1.022 498 S CA 1.459 59.663 58.200 0.007 0.000 0.983 498 S CB -0.485 62.719 63.200 0.006 0.000 0.803 498 S HN 0.424 nan 8.310 nan 0.000 0.480 499 L N 2.059 123.222 121.223 -0.100 0.000 1.989 499 L HA -0.024 4.316 4.340 -0.000 0.000 0.211 499 L C 2.392 179.205 176.870 -0.095 0.000 1.071 499 L CA 2.175 56.907 54.840 -0.181 0.000 0.749 499 L CB -0.746 41.061 42.059 -0.420 0.000 0.890 499 L HN 0.251 nan 8.230 nan 0.000 0.431 500 K N -1.400 118.978 120.400 -0.036 0.000 2.103 500 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 500 K C 2.359 179.062 176.600 0.171 0.000 1.048 500 K CA 1.500 57.917 56.287 0.217 0.000 0.930 500 K CB -0.249 32.457 32.500 0.342 0.000 0.716 500 K HN 0.423 nan 8.250 nan 0.000 0.444 501 S N -0.213 115.560 115.700 0.121 0.000 2.368 501 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 501 S C 1.940 176.628 174.600 0.147 0.000 1.030 501 S CA 1.226 59.506 58.200 0.134 0.000 0.999 501 S CB -0.252 63.016 63.200 0.113 0.000 0.844 501 S HN 0.458 nan 8.310 nan 0.000 0.459 502 A N 0.421 123.288 122.820 0.079 0.000 1.930 502 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 502 A C 2.336 180.015 177.584 0.157 0.000 1.175 502 A CA 2.087 54.103 52.037 -0.035 0.000 0.627 502 A CB -1.349 17.371 19.000 -0.467 0.000 0.815 502 A HN 0.605 nan 8.150 nan 0.000 0.443 503 T N 0.029 114.721 114.554 0.229 0.000 2.732 503 T HA -0.104 4.245 4.350 -0.000 0.000 0.261 503 T C 1.705 176.604 174.700 0.332 0.000 1.040 503 T CA 1.477 63.802 62.100 0.375 0.000 1.145 503 T CB -0.296 68.632 68.868 0.100 0.000 0.866 503 T HN 0.632 nan 8.240 nan 0.000 0.427 504 E N 1.000 121.364 120.200 0.275 0.000 2.265 504 E HA -0.088 4.262 4.350 -0.000 0.000 0.196 504 E C 2.273 178.998 176.600 0.208 0.000 0.996 504 E CA 0.809 57.372 56.400 0.272 0.000 0.832 504 E CB -0.115 29.737 29.700 0.253 0.000 0.756 504 E HN 0.310 nan 8.360 nan 0.000 0.491 505 S N -0.484 115.351 115.700 0.225 0.000 2.461 505 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 505 S C 1.349 176.047 174.600 0.163 0.000 1.005 505 S CA 0.374 58.692 58.200 0.197 0.000 0.942 505 S CB -0.017 63.338 63.200 0.258 0.000 0.776 505 S HN 0.296 nan 8.310 nan 0.000 0.514 506 F N 0.865 120.831 119.950 0.026 0.000 2.714 506 F HA 0.301 4.828 4.527 -0.000 0.000 0.294 506 F C 1.730 177.563 175.800 0.055 0.000 1.120 506 F CA 0.200 58.141 58.000 -0.098 0.000 1.398 506 F CB 0.052 38.957 39.000 -0.158 0.000 1.120 506 F HN -0.009 nan 8.300 nan 0.000 0.589 507 V N 0.472 120.493 119.914 0.180 0.000 2.295 507 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 507 V C 2.718 178.803 176.094 -0.016 0.000 1.049 507 V CA 1.945 64.314 62.300 0.116 0.000 1.024 507 V CB -1.433 30.472 31.823 0.137 0.000 0.648 507 V HN 0.393 nan 8.190 nan 0.000 0.447 508 A N -1.048 121.759 122.820 -0.022 0.000 1.865 508 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 508 A C 1.853 179.371 177.584 -0.109 0.000 1.191 508 A CA 2.380 54.389 52.037 -0.046 0.000 0.623 508 A CB -0.675 18.314 19.000 -0.018 0.000 0.826 508 A HN 0.504 nan 8.150 nan 0.000 0.444 509 T N 0.000 114.437 114.554 -0.196 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.944 62.100 -0.259 0.000 1.349 509 T CB 0.000 68.699 68.868 -0.281 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658